USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 955 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 77 CYS SG : rot 71:sc= 1.73 USER MOD Set 1.2: A 100 TYR OH : rot -49:sc= 0.847 USER MOD Set 2.1: A 39 CYS SG : rot -31:sc= -2.37! USER MOD Set 2.2: A 63 ASN : amide:sc= -1.07! C(o=-3.4!,f=-8.4!) USER MOD Set 3.1: A 20 TYR OH : rot -19:sc= -2.33! USER MOD Set 3.2: A 43 HIS : no HD1:sc= -2.24! C(o=-4.6!,f=-21!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -7.83! C(o=-9.1!,f=-17!) USER MOD Set 4.2: A 36 MET CE :methyl 146:sc= -1.21 (180deg=-0.317) USER MOD Set 4.3: A 52 TYR OH : rot 166:sc= -0.0641 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.112 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.06! C(o=-2.1!,f=-5.1!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 11:sc= 1.45 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -90:sc= -2.32 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 ASN :FLIP amide:sc= -3.6! C(o=-4.5!,f=-3.6!) USER MOD Single : A 29 SER OG : rot 91:sc= 0.0372 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -106:sc= 0.465 USER MOD Single : A 33 SER OG : rot 85:sc= 0.00782 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.32) USER MOD Single : A 59 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.929) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.00057) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.0558 USER MOD Single : A 69 SER OG : rot -170:sc= -0.0438 USER MOD Single : A 70 THR OG1 : rot 103:sc= 0.837 USER MOD Single : A 73 LYS NZ :NH3+ -118:sc= -1.09 (180deg=-3.08!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 86 MET CE :methyl -151:sc= 0 (180deg=-0.302) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.533 USER MOD Single : A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 THR OG1 : rot 90:sc= 0.851 USER MOD Single : A 102 GLN : amide:sc= -0.0185 K(o=-0.018,f=-2!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00143 X(o=-0.0014,f=-0.14) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 63:sc= 1.09 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= -0.0339 (180deg=-0.325) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.523 18.561 10.886 1.00 0.00 N ATOM 2 CA GLY A 1 8.497 19.330 10.065 1.00 0.00 C ATOM 3 C GLY A 1 7.770 19.990 8.897 1.00 0.00 C ATOM 4 O GLY A 1 6.625 19.650 8.597 1.00 0.00 O ATOM 0 H1 GLY A 1 7.325 19.079 11.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.640 18.437 10.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.922 17.629 11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.986 20.088 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.278 18.667 9.693 1.00 0.00 H new ATOM 10 N PRO A 2 8.411 20.919 8.238 1.00 0.00 N ATOM 11 CA PRO A 2 7.804 21.628 7.082 1.00 0.00 C ATOM 12 C PRO A 2 7.393 20.616 6.015 1.00 0.00 C ATOM 13 O PRO A 2 6.432 20.822 5.273 1.00 0.00 O ATOM 14 CB PRO A 2 8.919 22.568 6.553 1.00 0.00 C ATOM 15 CG PRO A 2 10.146 22.328 7.403 1.00 0.00 C ATOM 16 CD PRO A 2 9.768 21.379 8.543 1.00 0.00 C ATOM 0 HA PRO A 2 6.908 22.186 7.355 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.131 22.361 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.605 23.610 6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.946 21.897 6.801 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.520 23.270 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.462 20.541 8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.802 21.889 9.506 1.00 0.00 H new ATOM 24 N LEU A 3 8.141 19.520 5.959 1.00 0.00 N ATOM 25 CA LEU A 3 7.876 18.464 4.994 1.00 0.00 C ATOM 26 C LEU A 3 6.851 17.478 5.544 1.00 0.00 C ATOM 27 O LEU A 3 5.770 17.308 4.978 1.00 0.00 O ATOM 28 CB LEU A 3 9.187 17.738 4.671 1.00 0.00 C ATOM 29 CG LEU A 3 10.151 18.706 3.960 1.00 0.00 C ATOM 30 CD1 LEU A 3 11.545 18.069 3.814 1.00 0.00 C ATOM 31 CD2 LEU A 3 9.588 19.069 2.569 1.00 0.00 C ATOM 0 H LEU A 3 8.936 19.341 6.572 1.00 0.00 H new ATOM 0 HA LEU A 3 7.468 18.905 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.642 17.363 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.989 16.874 4.037 1.00 0.00 H new ATOM 0 HG LEU A 3 10.247 19.611 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.213 18.767 3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.943 17.835 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.467 17.153 3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.271 19.754 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.480 18.163 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.615 19.547 2.684 1.00 0.00 H new ATOM 43 N GLY A 4 7.197 16.827 6.653 1.00 0.00 N ATOM 44 CA GLY A 4 6.304 15.850 7.276 1.00 0.00 C ATOM 45 C GLY A 4 6.607 14.445 6.778 1.00 0.00 C ATOM 46 O GLY A 4 7.115 14.263 5.672 1.00 0.00 O ATOM 0 H GLY A 4 8.085 16.957 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.415 15.888 8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.268 16.104 7.053 1.00 0.00 H new ATOM 50 N SER A 5 6.291 13.454 7.603 1.00 0.00 N ATOM 51 CA SER A 5 6.530 12.060 7.244 1.00 0.00 C ATOM 52 C SER A 5 5.361 11.510 6.434 1.00 0.00 C ATOM 53 O SER A 5 5.501 11.197 5.252 1.00 0.00 O ATOM 54 CB SER A 5 6.712 11.223 8.508 1.00 0.00 C ATOM 55 OG SER A 5 7.964 11.540 9.103 1.00 0.00 O ATOM 0 H SER A 5 5.870 13.588 8.522 1.00 0.00 H new ATOM 0 HA SER A 5 7.435 12.008 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.902 11.421 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.670 10.161 8.265 1.00 0.00 H new ATOM 0 HG SER A 5 8.084 11.006 9.916 1.00 0.00 H new ATOM 61 N LYS A 6 4.211 11.391 7.085 1.00 0.00 N ATOM 62 CA LYS A 6 3.019 10.865 6.430 1.00 0.00 C ATOM 63 C LYS A 6 2.787 11.569 5.099 1.00 0.00 C ATOM 64 O LYS A 6 2.353 10.949 4.128 1.00 0.00 O ATOM 65 CB LYS A 6 1.804 11.064 7.336 1.00 0.00 C ATOM 66 CG LYS A 6 2.088 10.439 8.704 1.00 0.00 C ATOM 67 CD LYS A 6 0.811 10.434 9.554 1.00 0.00 C ATOM 68 CE LYS A 6 0.401 11.870 9.899 1.00 0.00 C ATOM 69 NZ LYS A 6 -0.587 11.845 11.013 1.00 0.00 N ATOM 0 H LYS A 6 4.078 11.650 8.062 1.00 0.00 H new ATOM 0 HA LYS A 6 3.164 9.801 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.588 12.127 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.923 10.604 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.455 9.420 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.872 11.000 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.006 9.938 9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.976 9.865 10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.277 12.451 10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.031 12.357 9.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.868 12.818 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.426 11.304 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.158 11.395 11.847 1.00 0.00 H new ATOM 83 N ASN A 7 3.086 12.860 5.057 1.00 0.00 N ATOM 84 CA ASN A 7 2.908 13.632 3.836 1.00 0.00 C ATOM 85 C ASN A 7 3.801 13.067 2.737 1.00 0.00 C ATOM 86 O ASN A 7 3.390 12.954 1.581 1.00 0.00 O ATOM 87 CB ASN A 7 3.266 15.096 4.091 1.00 0.00 C ATOM 88 CG ASN A 7 3.047 15.915 2.823 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.118 15.381 1.717 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.778 17.188 2.918 1.00 0.00 N ATOM 0 H ASN A 7 3.450 13.391 5.848 1.00 0.00 H new ATOM 0 HA ASN A 7 1.866 13.569 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.654 15.493 4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.305 15.175 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.626 17.742 2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.719 17.630 3.835 1.00 0.00 H new ATOM 97 N MET A 8 5.024 12.710 3.112 1.00 0.00 N ATOM 98 CA MET A 8 5.976 12.150 2.163 1.00 0.00 C ATOM 99 C MET A 8 5.440 10.842 1.586 1.00 0.00 C ATOM 100 O MET A 8 5.439 10.638 0.374 1.00 0.00 O ATOM 101 CB MET A 8 7.307 11.890 2.880 1.00 0.00 C ATOM 102 CG MET A 8 8.386 11.476 1.874 1.00 0.00 C ATOM 103 SD MET A 8 8.177 9.734 1.434 1.00 0.00 S ATOM 104 CE MET A 8 8.837 9.851 -0.246 1.00 0.00 C ATOM 0 H MET A 8 5.378 12.798 4.064 1.00 0.00 H new ATOM 0 HA MET A 8 6.127 12.857 1.347 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.622 12.788 3.411 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.178 11.107 3.627 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.320 12.097 0.980 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.376 11.636 2.302 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.804 8.869 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.237 10.553 -0.825 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.869 10.201 -0.208 1.00 0.00 H new ATOM 114 N LEU A 9 4.977 9.966 2.469 1.00 0.00 N ATOM 115 CA LEU A 9 4.431 8.687 2.064 1.00 0.00 C ATOM 116 C LEU A 9 3.148 8.883 1.279 1.00 0.00 C ATOM 117 O LEU A 9 2.912 8.216 0.273 1.00 0.00 O ATOM 118 CB LEU A 9 4.129 7.859 3.308 1.00 0.00 C ATOM 119 CG LEU A 9 5.424 7.483 4.012 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.094 6.881 5.379 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.227 6.464 3.174 1.00 0.00 C ATOM 0 H LEU A 9 4.971 10.125 3.477 1.00 0.00 H new ATOM 0 HA LEU A 9 5.158 8.175 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.489 8.425 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.582 6.958 3.031 1.00 0.00 H new ATOM 0 HG LEU A 9 6.032 8.379 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.018 6.609 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.551 7.613 5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.478 5.992 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.149 6.209 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.631 5.563 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.468 6.900 2.204 1.00 0.00 H new ATOM 133 N LEU A 10 2.315 9.796 1.765 1.00 0.00 N ATOM 134 CA LEU A 10 1.037 10.061 1.114 1.00 0.00 C ATOM 135 C LEU A 10 1.279 10.571 -0.302 1.00 0.00 C ATOM 136 O LEU A 10 0.678 10.089 -1.263 1.00 0.00 O ATOM 137 CB LEU A 10 0.233 11.091 1.938 1.00 0.00 C ATOM 138 CG LEU A 10 -1.132 11.374 1.281 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.930 10.067 1.139 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.923 12.378 2.143 1.00 0.00 C ATOM 0 H LEU A 10 2.497 10.359 2.596 1.00 0.00 H new ATOM 0 HA LEU A 10 0.458 9.139 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.083 10.716 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.800 12.018 2.022 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.970 11.798 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.893 10.277 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.372 9.366 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.091 9.630 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.888 12.577 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.080 11.960 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.361 13.308 2.225 1.00 0.00 H new ATOM 152 N GLU A 11 2.174 11.538 -0.412 1.00 0.00 N ATOM 153 CA GLU A 11 2.518 12.120 -1.704 1.00 0.00 C ATOM 154 C GLU A 11 2.996 11.033 -2.649 1.00 0.00 C ATOM 155 O GLU A 11 2.582 10.930 -3.805 1.00 0.00 O ATOM 156 CB GLU A 11 3.660 13.101 -1.482 1.00 0.00 C ATOM 157 CG GLU A 11 3.914 13.900 -2.755 1.00 0.00 C ATOM 158 CD GLU A 11 5.042 14.897 -2.526 1.00 0.00 C ATOM 159 OE1 GLU A 11 6.061 14.495 -1.989 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.873 16.047 -2.894 1.00 0.00 O ATOM 0 H GLU A 11 2.678 11.939 0.378 1.00 0.00 H new ATOM 0 HA GLU A 11 1.647 12.614 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.417 13.776 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.563 12.562 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.173 13.226 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.007 14.426 -3.051 1.00 0.00 H new ATOM 167 N TRP A 12 3.885 10.247 -2.097 1.00 0.00 N ATOM 168 CA TRP A 12 4.521 9.131 -2.765 1.00 0.00 C ATOM 169 C TRP A 12 3.498 8.055 -3.142 1.00 0.00 C ATOM 170 O TRP A 12 3.302 7.758 -4.320 1.00 0.00 O ATOM 171 CB TRP A 12 5.525 8.626 -1.740 1.00 0.00 C ATOM 172 CG TRP A 12 6.349 7.488 -2.209 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.424 7.569 -3.018 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.223 6.104 -1.823 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.965 6.302 -3.162 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.250 5.362 -2.442 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.310 5.436 -1.003 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.371 3.988 -2.245 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.421 4.052 -0.800 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.452 3.328 -1.420 1.00 0.00 C ATOM 0 H TRP A 12 4.200 10.368 -1.134 1.00 0.00 H new ATOM 0 HA TRP A 12 4.994 9.410 -3.706 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.185 9.447 -1.459 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.989 8.326 -0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.801 8.471 -3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.787 6.089 -3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.515 5.988 -0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.167 3.437 -2.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.711 3.542 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.536 2.263 -1.261 1.00 0.00 H new ATOM 191 N CYS A 13 2.839 7.485 -2.137 1.00 0.00 N ATOM 192 CA CYS A 13 1.836 6.445 -2.372 1.00 0.00 C ATOM 193 C CYS A 13 0.807 6.904 -3.416 1.00 0.00 C ATOM 194 O CYS A 13 0.446 6.154 -4.323 1.00 0.00 O ATOM 195 CB CYS A 13 1.124 6.145 -1.045 1.00 0.00 C ATOM 196 SG CYS A 13 2.102 4.965 -0.086 1.00 0.00 S ATOM 0 H CYS A 13 2.979 7.723 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 13 2.329 5.550 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.987 7.066 -0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.131 5.739 -1.237 1.00 0.00 H new ATOM 0 HG CYS A 13 3.277 4.834 -0.627 1.00 0.00 H new ATOM 202 N ARG A 14 0.356 8.142 -3.267 1.00 0.00 N ATOM 203 CA ARG A 14 -0.630 8.717 -4.187 1.00 0.00 C ATOM 204 C ARG A 14 -0.073 8.749 -5.602 1.00 0.00 C ATOM 205 O ARG A 14 -0.744 8.383 -6.567 1.00 0.00 O ATOM 206 CB ARG A 14 -0.955 10.146 -3.764 1.00 0.00 C ATOM 207 CG ARG A 14 -2.132 10.674 -4.590 1.00 0.00 C ATOM 208 CD ARG A 14 -2.410 12.130 -4.212 1.00 0.00 C ATOM 209 NE ARG A 14 -3.532 12.654 -4.995 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.349 13.569 -5.945 1.00 0.00 C ATOM 211 NH1 ARG A 14 -3.172 14.820 -5.617 1.00 0.00 N ATOM 212 NH2 ARG A 14 -3.341 13.216 -7.200 1.00 0.00 N ATOM 0 H ARG A 14 0.653 8.771 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.529 8.101 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.201 10.174 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.083 10.785 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.905 10.601 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.018 10.065 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.636 12.200 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.521 12.735 -4.389 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.474 12.310 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.174 15.095 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.032 15.523 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.475 12.238 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.201 13.918 -7.926 1.00 0.00 H new ATOM 226 N ALA A 15 1.161 9.197 -5.704 1.00 0.00 N ATOM 227 CA ALA A 15 1.833 9.297 -6.999 1.00 0.00 C ATOM 228 C ALA A 15 1.690 8.000 -7.795 1.00 0.00 C ATOM 229 O ALA A 15 1.716 8.012 -9.026 1.00 0.00 O ATOM 230 CB ALA A 15 3.315 9.600 -6.785 1.00 0.00 C ATOM 0 H ALA A 15 1.726 9.500 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 15 1.365 10.103 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.814 9.674 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.420 10.543 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.770 8.799 -6.202 1.00 0.00 H new ATOM 236 N MET A 16 1.541 6.885 -7.087 1.00 0.00 N ATOM 237 CA MET A 16 1.393 5.581 -7.731 1.00 0.00 C ATOM 238 C MET A 16 -0.085 5.259 -7.965 1.00 0.00 C ATOM 239 O MET A 16 -0.422 4.364 -8.740 1.00 0.00 O ATOM 240 CB MET A 16 2.043 4.511 -6.851 1.00 0.00 C ATOM 241 CG MET A 16 3.369 5.049 -6.289 1.00 0.00 C ATOM 242 SD MET A 16 4.295 5.925 -7.582 1.00 0.00 S ATOM 243 CE MET A 16 5.742 6.364 -6.590 1.00 0.00 C ATOM 0 H MET A 16 1.519 6.856 -6.068 1.00 0.00 H new ATOM 0 HA MET A 16 1.888 5.601 -8.702 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.373 4.239 -6.035 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.222 3.606 -7.432 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.171 5.722 -5.455 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.967 4.225 -5.899 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.450 6.919 -7.205 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.432 6.982 -5.747 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.217 5.456 -6.218 1.00 0.00 H new ATOM 253 N THR A 17 -0.962 6.002 -7.290 1.00 0.00 N ATOM 254 CA THR A 17 -2.407 5.801 -7.427 1.00 0.00 C ATOM 255 C THR A 17 -2.929 6.373 -8.746 1.00 0.00 C ATOM 256 O THR A 17 -4.016 6.015 -9.199 1.00 0.00 O ATOM 257 CB THR A 17 -3.140 6.478 -6.266 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.759 5.863 -5.043 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.650 6.342 -6.462 1.00 0.00 C ATOM 0 H THR A 17 -0.700 6.747 -6.644 1.00 0.00 H new ATOM 0 HA THR A 17 -2.594 4.727 -7.415 1.00 0.00 H new ATOM 0 HB THR A 17 -2.876 7.535 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.367 5.120 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.169 6.825 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.940 6.818 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.919 5.286 -6.493 1.00 0.00 H new ATOM 267 N ARG A 18 -2.143 7.246 -9.359 1.00 0.00 N ATOM 268 CA ARG A 18 -2.522 7.852 -10.631 1.00 0.00 C ATOM 269 C ARG A 18 -2.545 6.788 -11.724 1.00 0.00 C ATOM 270 O ARG A 18 -3.394 6.797 -12.616 1.00 0.00 O ATOM 271 CB ARG A 18 -1.503 8.932 -10.971 1.00 0.00 C ATOM 272 CG ARG A 18 -1.690 10.098 -10.002 1.00 0.00 C ATOM 273 CD ARG A 18 -0.625 11.158 -10.254 1.00 0.00 C ATOM 274 NE ARG A 18 -0.805 12.262 -9.323 1.00 0.00 N ATOM 275 CZ ARG A 18 0.140 13.176 -9.154 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.195 14.209 -9.948 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.013 13.037 -8.196 1.00 0.00 N ATOM 0 H ARG A 18 -1.239 7.552 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.517 8.292 -10.557 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.491 8.535 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.637 9.269 -11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.683 10.531 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.625 9.742 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.368 10.726 -10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.693 11.520 -11.280 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.673 12.334 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.489 14.313 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.922 14.913 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.968 12.226 -7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.741 13.739 -8.064 1.00 0.00 H new ATOM 291 N ASN A 19 -1.586 5.882 -11.624 1.00 0.00 N ATOM 292 CA ASN A 19 -1.446 4.789 -12.581 1.00 0.00 C ATOM 293 C ASN A 19 -2.654 3.868 -12.507 1.00 0.00 C ATOM 294 O ASN A 19 -3.133 3.358 -13.521 1.00 0.00 O ATOM 295 CB ASN A 19 -0.183 3.981 -12.279 1.00 0.00 C ATOM 296 CG ASN A 19 0.004 2.889 -13.329 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.300 3.097 -14.504 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.491 1.729 -12.975 1.00 0.00 N ATOM 0 H ASN A 19 -0.885 5.880 -10.883 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.375 5.216 -13.581 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.686 4.639 -12.269 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.256 3.534 -11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.619 0.996 -13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.743 1.557 -12.002 1.00 0.00 H new ATOM 305 N TYR A 20 -3.129 3.654 -11.287 1.00 0.00 N ATOM 306 CA TYR A 20 -4.272 2.785 -11.038 1.00 0.00 C ATOM 307 C TYR A 20 -5.544 3.601 -10.859 1.00 0.00 C ATOM 308 O TYR A 20 -5.489 4.806 -10.621 1.00 0.00 O ATOM 309 CB TYR A 20 -4.003 1.977 -9.771 1.00 0.00 C ATOM 310 CG TYR A 20 -2.784 1.110 -9.987 1.00 0.00 C ATOM 311 CD1 TYR A 20 -2.816 0.087 -10.941 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.629 1.323 -9.229 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.693 -0.722 -11.139 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.505 0.514 -9.427 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.534 -0.507 -10.381 1.00 0.00 C ATOM 316 OH TYR A 20 0.578 -1.302 -10.576 1.00 0.00 O ATOM 0 H TYR A 20 -2.735 4.076 -10.446 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.409 2.122 -11.892 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.844 2.646 -8.925 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.867 1.358 -9.529 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.709 -0.078 -11.525 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.604 2.111 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.719 -1.512 -11.875 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.387 0.679 -8.841 1.00 0.00 H new ATOM 0 HH TYR A 20 0.314 -2.128 -11.032 1.00 0.00 H new ATOM 326 N GLU A 21 -6.695 2.941 -10.997 1.00 0.00 N ATOM 327 CA GLU A 21 -7.988 3.618 -10.854 1.00 0.00 C ATOM 328 C GLU A 21 -8.828 2.951 -9.783 1.00 0.00 C ATOM 329 O GLU A 21 -8.403 1.965 -9.181 1.00 0.00 O ATOM 330 CB GLU A 21 -8.748 3.570 -12.177 1.00 0.00 C ATOM 331 CG GLU A 21 -8.000 4.395 -13.233 1.00 0.00 C ATOM 332 CD GLU A 21 -6.876 3.563 -13.840 1.00 0.00 C ATOM 333 OE1 GLU A 21 -6.664 2.455 -13.373 1.00 0.00 O ATOM 334 OE2 GLU A 21 -6.241 4.045 -14.760 1.00 0.00 O ATOM 0 H GLU A 21 -6.760 1.945 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.799 4.653 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.849 2.538 -12.512 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.756 3.962 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.690 4.714 -14.014 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.592 5.298 -12.779 1.00 0.00 H new ATOM 341 N HIS A 22 -10.013 3.507 -9.542 1.00 0.00 N ATOM 342 CA HIS A 22 -10.907 2.963 -8.526 1.00 0.00 C ATOM 343 C HIS A 22 -10.223 3.066 -7.164 1.00 0.00 C ATOM 344 O HIS A 22 -10.737 2.607 -6.147 1.00 0.00 O ATOM 345 CB HIS A 22 -11.262 1.501 -8.878 1.00 0.00 C ATOM 346 CG HIS A 22 -12.320 0.962 -7.951 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.089 0.770 -6.603 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.605 0.529 -8.173 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.205 0.248 -6.068 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.162 0.078 -6.981 1.00 0.00 N ATOM 0 H HIS A 22 -10.373 4.326 -10.032 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.838 3.529 -8.489 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.615 1.447 -9.908 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.368 0.881 -8.814 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.226 0.986 -6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.107 0.538 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.314 -0.004 -5.023 1.00 0.00 H new ATOM 358 N VAL A 23 -9.047 3.688 -7.165 1.00 0.00 N ATOM 359 CA VAL A 23 -8.261 3.869 -5.947 1.00 0.00 C ATOM 360 C VAL A 23 -7.972 5.353 -5.735 1.00 0.00 C ATOM 361 O VAL A 23 -7.475 6.034 -6.632 1.00 0.00 O ATOM 362 CB VAL A 23 -6.946 3.100 -6.097 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.041 3.342 -4.888 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.241 1.603 -6.228 1.00 0.00 C ATOM 0 H VAL A 23 -8.614 4.078 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.815 3.494 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.433 3.453 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.111 2.787 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.820 4.406 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.546 3.005 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.304 1.056 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.765 1.256 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.864 1.430 -7.105 1.00 0.00 H new ATOM 374 N ASP A 24 -8.278 5.840 -4.539 1.00 0.00 N ATOM 375 CA ASP A 24 -8.048 7.248 -4.193 1.00 0.00 C ATOM 376 C ASP A 24 -7.460 7.344 -2.790 1.00 0.00 C ATOM 377 O ASP A 24 -8.156 7.121 -1.801 1.00 0.00 O ATOM 378 CB ASP A 24 -9.359 8.031 -4.257 1.00 0.00 C ATOM 379 CG ASP A 24 -10.349 7.473 -3.240 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.134 6.365 -2.778 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.314 8.158 -2.945 1.00 0.00 O ATOM 0 H ASP A 24 -8.687 5.285 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.347 7.676 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.173 9.086 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.781 7.969 -5.260 1.00 0.00 H new ATOM 386 N ILE A 25 -6.171 7.643 -2.710 1.00 0.00 N ATOM 387 CA ILE A 25 -5.493 7.718 -1.417 1.00 0.00 C ATOM 388 C ILE A 25 -5.593 9.111 -0.788 1.00 0.00 C ATOM 389 O ILE A 25 -4.659 9.911 -0.842 1.00 0.00 O ATOM 390 CB ILE A 25 -4.032 7.292 -1.595 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.024 5.891 -2.227 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.327 7.239 -0.236 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.589 5.372 -2.370 1.00 0.00 C ATOM 0 H ILE A 25 -5.576 7.837 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.991 7.038 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.509 8.008 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.605 5.205 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.503 5.925 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.290 6.935 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.357 8.225 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.832 6.519 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.604 4.379 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.019 6.049 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.122 5.318 -1.387 1.00 0.00 H new ATOM 405 N GLN A 26 -6.744 9.359 -0.158 1.00 0.00 N ATOM 406 CA GLN A 26 -7.010 10.623 0.538 1.00 0.00 C ATOM 407 C GLN A 26 -6.897 10.402 2.039 1.00 0.00 C ATOM 408 O GLN A 26 -7.057 11.326 2.839 1.00 0.00 O ATOM 409 CB GLN A 26 -8.415 11.129 0.196 1.00 0.00 C ATOM 410 CG GLN A 26 -8.457 11.579 -1.264 1.00 0.00 C ATOM 411 CD GLN A 26 -9.874 12.004 -1.633 1.00 0.00 C ATOM 412 OE1 GLN A 26 -10.762 12.006 -0.782 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.139 12.366 -2.860 1.00 0.00 N ATOM 0 H GLN A 26 -7.516 8.693 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.281 11.368 0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.148 10.340 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.683 11.958 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.767 12.408 -1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.130 10.767 -1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.400 12.363 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.085 12.651 -3.115 1.00 0.00 H new ATOM 422 N ASN A 27 -6.606 9.163 2.398 1.00 0.00 N ATOM 423 CA ASN A 27 -6.451 8.775 3.787 1.00 0.00 C ATOM 424 C ASN A 27 -5.709 7.453 3.832 1.00 0.00 C ATOM 425 O ASN A 27 -5.450 6.848 2.792 1.00 0.00 O ATOM 426 CB ASN A 27 -7.817 8.629 4.469 1.00 0.00 C ATOM 427 CG ASN A 27 -8.545 9.969 4.496 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.981 10.999 5.066 1.00 0.00 O flip ATOM 429 ND2 ASN A 27 -9.660 10.082 3.988 1.00 0.00 N flip ATOM 0 H ASN A 27 -6.471 8.400 1.735 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.892 9.545 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.419 7.892 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.685 8.259 5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.101 9.278 3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.143 10.980 4.012 1.00 0.00 H new ATOM 436 N PHE A 28 -5.364 7.005 5.026 1.00 0.00 N ATOM 437 CA PHE A 28 -4.645 5.743 5.170 1.00 0.00 C ATOM 438 C PHE A 28 -5.575 4.661 5.696 1.00 0.00 C ATOM 439 O PHE A 28 -5.232 3.479 5.702 1.00 0.00 O ATOM 440 CB PHE A 28 -3.472 5.940 6.133 1.00 0.00 C ATOM 441 CG PHE A 28 -2.353 6.661 5.417 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.493 5.949 4.575 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.177 8.038 5.590 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.460 6.609 3.905 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.142 8.701 4.920 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.284 7.983 4.077 1.00 0.00 C ATOM 0 H PHE A 28 -5.565 7.486 5.903 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.270 5.430 4.196 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.793 6.514 7.002 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.122 4.975 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.628 4.886 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.840 8.590 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.202 6.057 3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.005 9.764 5.053 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.515 8.493 3.559 1.00 0.00 H new ATOM 456 N SER A 29 -6.740 5.083 6.167 1.00 0.00 N ATOM 457 CA SER A 29 -7.724 4.163 6.744 1.00 0.00 C ATOM 458 C SER A 29 -8.923 3.927 5.825 1.00 0.00 C ATOM 459 O SER A 29 -9.094 2.848 5.264 1.00 0.00 O ATOM 460 CB SER A 29 -8.224 4.751 8.062 1.00 0.00 C ATOM 461 OG SER A 29 -9.361 4.023 8.500 1.00 0.00 O ATOM 0 H SER A 29 -7.033 6.060 6.163 1.00 0.00 H new ATOM 0 HA SER A 29 -7.231 3.202 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.437 4.706 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.480 5.802 7.930 1.00 0.00 H new ATOM 0 HG SER A 29 -9.075 3.290 9.084 1.00 0.00 H new ATOM 467 N SER A 30 -9.758 4.946 5.698 1.00 0.00 N ATOM 468 CA SER A 30 -10.960 4.855 4.869 1.00 0.00 C ATOM 469 C SER A 30 -10.631 4.578 3.411 1.00 0.00 C ATOM 470 O SER A 30 -11.276 3.753 2.768 1.00 0.00 O ATOM 471 CB SER A 30 -11.751 6.157 4.961 1.00 0.00 C ATOM 472 OG SER A 30 -12.133 6.383 6.311 1.00 0.00 O ATOM 0 H SER A 30 -9.630 5.848 6.157 1.00 0.00 H new ATOM 0 HA SER A 30 -11.551 4.021 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.147 6.989 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.635 6.104 4.325 1.00 0.00 H new ATOM 0 HG SER A 30 -12.640 7.220 6.372 1.00 0.00 H new ATOM 478 N SER A 31 -9.642 5.280 2.885 1.00 0.00 N ATOM 479 CA SER A 31 -9.269 5.103 1.491 1.00 0.00 C ATOM 480 C SER A 31 -8.650 3.728 1.266 1.00 0.00 C ATOM 481 O SER A 31 -8.244 3.396 0.154 1.00 0.00 O ATOM 482 CB SER A 31 -8.290 6.195 1.078 1.00 0.00 C ATOM 483 OG SER A 31 -9.007 7.410 0.909 1.00 0.00 O ATOM 0 H SER A 31 -9.089 5.969 3.394 1.00 0.00 H new ATOM 0 HA SER A 31 -10.168 5.175 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.516 6.315 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.787 5.921 0.150 1.00 0.00 H new ATOM 0 HG SER A 31 -9.088 7.612 -0.047 1.00 0.00 H new ATOM 489 N TRP A 32 -8.568 2.935 2.334 1.00 0.00 N ATOM 490 CA TRP A 32 -7.981 1.598 2.257 1.00 0.00 C ATOM 491 C TRP A 32 -9.020 0.508 2.528 1.00 0.00 C ATOM 492 O TRP A 32 -8.710 -0.680 2.458 1.00 0.00 O ATOM 493 CB TRP A 32 -6.877 1.508 3.297 1.00 0.00 C ATOM 494 CG TRP A 32 -5.732 2.343 2.868 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.775 3.680 2.709 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.380 1.929 2.551 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.532 4.116 2.299 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.634 3.070 2.194 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.740 0.683 2.535 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.289 2.977 1.838 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.390 0.584 2.172 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.665 1.730 1.828 1.00 0.00 C ATOM 0 H TRP A 32 -8.901 3.195 3.262 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.592 1.441 1.251 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.246 1.846 4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.561 0.472 3.420 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.639 4.306 2.875 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.304 5.090 2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.290 -0.207 2.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.734 3.865 1.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.907 -0.382 2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.623 1.649 1.555 1.00 0.00 H new ATOM 513 N SER A 33 -10.240 0.915 2.857 1.00 0.00 N ATOM 514 CA SER A 33 -11.295 -0.046 3.160 1.00 0.00 C ATOM 515 C SER A 33 -11.516 -1.016 2.003 1.00 0.00 C ATOM 516 O SER A 33 -12.103 -2.082 2.189 1.00 0.00 O ATOM 517 CB SER A 33 -12.598 0.694 3.454 1.00 0.00 C ATOM 518 OG SER A 33 -13.589 -0.244 3.854 1.00 0.00 O ATOM 0 H SER A 33 -10.522 1.893 2.921 1.00 0.00 H new ATOM 0 HA SER A 33 -10.984 -0.619 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.441 1.433 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.930 1.236 2.569 1.00 0.00 H new ATOM 0 HG SER A 33 -13.508 -0.415 4.816 1.00 0.00 H new ATOM 524 N SER A 34 -11.061 -0.646 0.807 1.00 0.00 N ATOM 525 CA SER A 34 -11.239 -1.502 -0.362 1.00 0.00 C ATOM 526 C SER A 34 -10.173 -2.590 -0.428 1.00 0.00 C ATOM 527 O SER A 34 -10.362 -3.610 -1.093 1.00 0.00 O ATOM 528 CB SER A 34 -11.156 -0.654 -1.630 1.00 0.00 C ATOM 529 OG SER A 34 -11.959 0.508 -1.471 1.00 0.00 O ATOM 0 H SER A 34 -10.572 0.230 0.624 1.00 0.00 H new ATOM 0 HA SER A 34 -12.216 -1.979 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.122 -0.371 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.497 -1.231 -2.490 1.00 0.00 H new ATOM 0 HG SER A 34 -11.907 1.055 -2.282 1.00 0.00 H new ATOM 535 N GLY A 35 -9.040 -2.359 0.224 1.00 0.00 N ATOM 536 CA GLY A 35 -7.952 -3.326 0.184 1.00 0.00 C ATOM 537 C GLY A 35 -7.274 -3.250 -1.175 1.00 0.00 C ATOM 538 O GLY A 35 -6.186 -3.790 -1.383 1.00 0.00 O ATOM 0 H GLY A 35 -8.852 -1.524 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.233 -3.117 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.335 -4.332 0.358 1.00 0.00 H new ATOM 542 N MET A 36 -7.941 -2.556 -2.089 1.00 0.00 N ATOM 543 CA MET A 36 -7.445 -2.372 -3.438 1.00 0.00 C ATOM 544 C MET A 36 -6.160 -1.550 -3.416 1.00 0.00 C ATOM 545 O MET A 36 -5.385 -1.564 -4.370 1.00 0.00 O ATOM 546 CB MET A 36 -8.507 -1.647 -4.271 1.00 0.00 C ATOM 547 CG MET A 36 -9.767 -2.517 -4.364 1.00 0.00 C ATOM 548 SD MET A 36 -11.103 -1.574 -5.137 1.00 0.00 S ATOM 549 CE MET A 36 -10.488 -1.636 -6.837 1.00 0.00 C ATOM 0 H MET A 36 -8.840 -2.107 -1.912 1.00 0.00 H new ATOM 0 HA MET A 36 -7.233 -3.346 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.748 -0.687 -3.816 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.122 -1.439 -5.269 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.559 -3.415 -4.946 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.069 -2.845 -3.369 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.330 -1.683 -7.527 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.899 -0.742 -7.044 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.863 -2.520 -6.966 1.00 0.00 H new ATOM 559 N ALA A 37 -5.946 -0.819 -2.323 1.00 0.00 N ATOM 560 CA ALA A 37 -4.753 0.013 -2.199 1.00 0.00 C ATOM 561 C ALA A 37 -3.493 -0.833 -2.001 1.00 0.00 C ATOM 562 O ALA A 37 -2.486 -0.617 -2.675 1.00 0.00 O ATOM 563 CB ALA A 37 -4.913 0.987 -1.032 1.00 0.00 C ATOM 0 H ALA A 37 -6.575 -0.786 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.639 0.571 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.018 1.603 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.779 1.626 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.057 0.427 -0.108 1.00 0.00 H new ATOM 569 N PHE A 38 -3.539 -1.787 -1.067 1.00 0.00 N ATOM 570 CA PHE A 38 -2.371 -2.633 -0.799 1.00 0.00 C ATOM 571 C PHE A 38 -1.915 -3.356 -2.067 1.00 0.00 C ATOM 572 O PHE A 38 -0.718 -3.463 -2.330 1.00 0.00 O ATOM 573 CB PHE A 38 -2.695 -3.663 0.312 1.00 0.00 C ATOM 574 CG PHE A 38 -2.364 -3.089 1.676 1.00 0.00 C ATOM 575 CD1 PHE A 38 -1.027 -2.885 2.049 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.394 -2.766 2.565 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.725 -2.355 3.310 1.00 0.00 C ATOM 578 CE2 PHE A 38 -3.090 -2.239 3.824 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.757 -2.033 4.195 1.00 0.00 C ATOM 0 H PHE A 38 -4.357 -1.992 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.559 -1.989 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.750 -3.933 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.125 -4.577 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.231 -3.137 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.424 -2.923 2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.304 -2.196 3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.885 -1.991 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.525 -1.624 5.167 1.00 0.00 H new ATOM 589 N CYS A 39 -2.865 -3.859 -2.838 1.00 0.00 N ATOM 590 CA CYS A 39 -2.528 -4.575 -4.064 1.00 0.00 C ATOM 591 C CYS A 39 -2.008 -3.616 -5.135 1.00 0.00 C ATOM 592 O CYS A 39 -1.022 -3.904 -5.815 1.00 0.00 O ATOM 593 CB CYS A 39 -3.759 -5.306 -4.594 1.00 0.00 C ATOM 594 SG CYS A 39 -4.968 -4.102 -5.196 1.00 0.00 S ATOM 0 H CYS A 39 -3.864 -3.788 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.743 -5.294 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.474 -5.983 -5.399 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.200 -5.916 -3.805 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.871 -3.006 -4.503 1.00 0.00 H new ATOM 600 N ALA A 40 -2.700 -2.491 -5.289 1.00 0.00 N ATOM 601 CA ALA A 40 -2.344 -1.493 -6.292 1.00 0.00 C ATOM 602 C ALA A 40 -0.958 -0.893 -6.055 1.00 0.00 C ATOM 603 O ALA A 40 -0.192 -0.698 -6.998 1.00 0.00 O ATOM 604 CB ALA A 40 -3.382 -0.374 -6.260 1.00 0.00 C ATOM 0 H ALA A 40 -3.516 -2.247 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.325 -1.989 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.128 0.379 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.367 -0.785 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.393 0.084 -5.271 1.00 0.00 H new ATOM 610 N LEU A 41 -0.654 -0.584 -4.803 1.00 0.00 N ATOM 611 CA LEU A 41 0.629 0.021 -4.460 1.00 0.00 C ATOM 612 C LEU A 41 1.783 -0.922 -4.814 1.00 0.00 C ATOM 613 O LEU A 41 2.795 -0.500 -5.375 1.00 0.00 O ATOM 614 CB LEU A 41 0.629 0.343 -2.960 1.00 0.00 C ATOM 615 CG LEU A 41 1.933 1.026 -2.533 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.118 2.351 -3.294 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.866 1.302 -1.027 1.00 0.00 C ATOM 0 H LEU A 41 -1.274 -0.741 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 41 0.770 0.938 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.216 0.990 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.494 -0.576 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 41 2.778 0.376 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.048 2.824 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.155 2.153 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.282 3.015 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.787 1.788 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.018 1.953 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.746 0.361 -0.490 1.00 0.00 H new ATOM 629 N ILE A 42 1.615 -2.199 -4.494 1.00 0.00 N ATOM 630 CA ILE A 42 2.633 -3.212 -4.785 1.00 0.00 C ATOM 631 C ILE A 42 2.782 -3.439 -6.297 1.00 0.00 C ATOM 632 O ILE A 42 3.897 -3.571 -6.804 1.00 0.00 O ATOM 633 CB ILE A 42 2.237 -4.529 -4.085 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.612 -4.461 -2.593 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.923 -5.742 -4.734 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.141 -4.351 -2.392 1.00 0.00 C ATOM 0 H ILE A 42 0.782 -2.563 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 42 3.595 -2.863 -4.411 1.00 0.00 H new ATOM 0 HB ILE A 42 1.159 -4.653 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.122 -3.603 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.241 -5.350 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.621 -6.652 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.631 -5.808 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.005 -5.628 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.366 -4.305 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.629 -5.222 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.508 -3.448 -2.879 1.00 0.00 H new ATOM 648 N HIS A 43 1.656 -3.519 -6.994 1.00 0.00 N ATOM 649 CA HIS A 43 1.662 -3.767 -8.435 1.00 0.00 C ATOM 650 C HIS A 43 2.488 -2.716 -9.177 1.00 0.00 C ATOM 651 O HIS A 43 2.829 -2.888 -10.348 1.00 0.00 O ATOM 652 CB HIS A 43 0.221 -3.747 -8.949 1.00 0.00 C ATOM 653 CG HIS A 43 0.173 -4.243 -10.370 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.125 -3.410 -11.435 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.366 -5.484 -10.911 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.106 -4.155 -12.553 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.189 -5.431 -12.292 1.00 0.00 N ATOM 0 H HIS A 43 0.726 -3.416 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 43 2.116 -4.741 -8.619 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.408 -4.372 -8.316 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.179 -2.734 -8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.618 -6.373 -10.351 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.305 -3.769 -13.542 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.268 -6.199 -12.958 1.00 0.00 H new ATOM 665 N LYS A 44 2.798 -1.631 -8.483 1.00 0.00 N ATOM 666 CA LYS A 44 3.578 -0.544 -9.065 1.00 0.00 C ATOM 667 C LYS A 44 5.037 -0.936 -9.264 1.00 0.00 C ATOM 668 O LYS A 44 5.669 -0.557 -10.252 1.00 0.00 O ATOM 669 CB LYS A 44 3.513 0.691 -8.151 1.00 0.00 C ATOM 670 CG LYS A 44 4.280 1.875 -8.762 1.00 0.00 C ATOM 671 CD LYS A 44 3.630 2.305 -10.081 1.00 0.00 C ATOM 672 CE LYS A 44 4.100 3.709 -10.449 1.00 0.00 C ATOM 673 NZ LYS A 44 3.517 4.096 -11.761 1.00 0.00 N ATOM 0 H LYS A 44 2.521 -1.478 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 44 3.148 -0.319 -10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.473 0.973 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.933 0.447 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.288 2.711 -8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.319 1.594 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.892 1.604 -10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.544 2.287 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.797 4.419 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.188 3.739 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.417 5.130 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.143 3.776 -12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.582 3.653 -11.870 1.00 0.00 H new ATOM 687 N PHE A 45 5.582 -1.661 -8.293 1.00 0.00 N ATOM 688 CA PHE A 45 6.990 -2.056 -8.333 1.00 0.00 C ATOM 689 C PHE A 45 7.165 -3.496 -8.815 1.00 0.00 C ATOM 690 O PHE A 45 8.273 -3.913 -9.146 1.00 0.00 O ATOM 691 CB PHE A 45 7.582 -1.916 -6.919 1.00 0.00 C ATOM 692 CG PHE A 45 6.865 -0.813 -6.159 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.709 0.461 -6.728 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.355 -1.071 -4.879 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.044 1.472 -6.013 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.694 -0.063 -4.171 1.00 0.00 C ATOM 697 CZ PHE A 45 5.540 1.206 -4.736 1.00 0.00 C ATOM 0 H PHE A 45 5.075 -1.987 -7.471 1.00 0.00 H new ATOM 0 HA PHE A 45 7.508 -1.406 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.487 -2.860 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.647 -1.691 -6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.100 0.664 -7.714 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.473 -2.050 -4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.922 2.453 -6.449 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.302 -0.265 -3.185 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.031 1.983 -4.185 1.00 0.00 H new ATOM 707 N PHE A 46 6.076 -4.254 -8.827 1.00 0.00 N ATOM 708 CA PHE A 46 6.128 -5.660 -9.239 1.00 0.00 C ATOM 709 C PHE A 46 5.096 -5.958 -10.339 1.00 0.00 C ATOM 710 O PHE A 46 3.923 -6.144 -10.038 1.00 0.00 O ATOM 711 CB PHE A 46 5.849 -6.509 -8.004 1.00 0.00 C ATOM 712 CG PHE A 46 6.949 -6.265 -7.006 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.140 -6.986 -7.101 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.783 -5.311 -5.996 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.169 -6.759 -6.183 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.813 -5.083 -5.077 1.00 0.00 C ATOM 717 CZ PHE A 46 9.005 -5.806 -5.170 1.00 0.00 C ATOM 0 H PHE A 46 5.148 -3.926 -8.559 1.00 0.00 H new ATOM 0 HA PHE A 46 7.110 -5.890 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.882 -6.248 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.805 -7.565 -8.271 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.267 -7.719 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.862 -4.752 -5.926 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.090 -7.318 -6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.687 -4.348 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.800 -5.630 -4.461 1.00 0.00 H new ATOM 727 N PRO A 47 5.483 -6.001 -11.606 1.00 0.00 N ATOM 728 CA PRO A 47 4.522 -6.282 -12.719 1.00 0.00 C ATOM 729 C PRO A 47 4.148 -7.764 -12.784 1.00 0.00 C ATOM 730 O PRO A 47 3.007 -8.118 -13.081 1.00 0.00 O ATOM 731 CB PRO A 47 5.271 -5.851 -14.007 1.00 0.00 C ATOM 732 CG PRO A 47 6.631 -5.366 -13.576 1.00 0.00 C ATOM 733 CD PRO A 47 6.845 -5.801 -12.126 1.00 0.00 C ATOM 0 HA PRO A 47 3.583 -5.745 -12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.360 -6.687 -14.701 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.726 -5.063 -14.526 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.406 -5.783 -14.218 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.695 -4.281 -13.663 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.432 -6.717 -12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.381 -5.042 -11.557 1.00 0.00 H new ATOM 741 N GLU A 48 5.126 -8.616 -12.501 1.00 0.00 N ATOM 742 CA GLU A 48 4.901 -10.053 -12.526 1.00 0.00 C ATOM 743 C GLU A 48 3.942 -10.418 -11.399 1.00 0.00 C ATOM 744 O GLU A 48 3.355 -11.502 -11.375 1.00 0.00 O ATOM 745 CB GLU A 48 6.233 -10.796 -12.355 1.00 0.00 C ATOM 746 CG GLU A 48 6.058 -12.268 -12.748 1.00 0.00 C ATOM 747 CD GLU A 48 5.944 -12.397 -14.264 1.00 0.00 C ATOM 748 OE1 GLU A 48 6.126 -11.399 -14.941 1.00 0.00 O ATOM 749 OE2 GLU A 48 5.677 -13.494 -14.728 1.00 0.00 O ATOM 0 H GLU A 48 6.076 -8.338 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 48 4.467 -10.344 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.001 -10.333 -12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.571 -10.723 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.906 -12.851 -12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.166 -12.676 -12.273 1.00 0.00 H new ATOM 756 N ALA A 49 3.808 -9.482 -10.468 1.00 0.00 N ATOM 757 CA ALA A 49 2.941 -9.653 -9.303 1.00 0.00 C ATOM 758 C ALA A 49 1.620 -10.300 -9.665 1.00 0.00 C ATOM 759 O ALA A 49 1.398 -11.487 -9.438 1.00 0.00 O ATOM 760 CB ALA A 49 2.643 -8.294 -8.677 1.00 0.00 C ATOM 0 H ALA A 49 4.294 -8.586 -10.496 1.00 0.00 H new ATOM 0 HA ALA A 49 3.471 -10.301 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.997 -8.427 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.576 -7.824 -8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.143 -7.658 -9.408 1.00 0.00 H new ATOM 766 N PHE A 50 0.748 -9.493 -10.247 1.00 0.00 N ATOM 767 CA PHE A 50 -0.559 -9.947 -10.662 1.00 0.00 C ATOM 768 C PHE A 50 -1.217 -8.888 -11.535 1.00 0.00 C ATOM 769 O PHE A 50 -0.824 -7.726 -11.527 1.00 0.00 O ATOM 770 CB PHE A 50 -1.438 -10.231 -9.439 1.00 0.00 C ATOM 771 CG PHE A 50 -1.237 -9.151 -8.397 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.852 -7.901 -8.549 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.433 -9.401 -7.274 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.663 -6.903 -7.581 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.246 -8.402 -6.308 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.860 -7.155 -6.461 1.00 0.00 C ATOM 0 H PHE A 50 0.930 -8.509 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.446 -10.868 -11.234 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.486 -10.272 -9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.187 -11.205 -9.019 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.472 -7.706 -9.412 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.042 -10.363 -7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.137 -5.940 -7.699 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.373 -8.596 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.715 -6.387 -5.716 1.00 0.00 H new ATOM 786 N ASP A 51 -2.244 -9.290 -12.265 1.00 0.00 N ATOM 787 CA ASP A 51 -2.971 -8.359 -13.115 1.00 0.00 C ATOM 788 C ASP A 51 -3.962 -7.567 -12.267 1.00 0.00 C ATOM 789 O ASP A 51 -5.050 -8.045 -11.956 1.00 0.00 O ATOM 790 CB ASP A 51 -3.719 -9.121 -14.212 1.00 0.00 C ATOM 791 CG ASP A 51 -2.752 -9.581 -15.295 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.597 -9.194 -15.236 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.183 -10.313 -16.171 1.00 0.00 O ATOM 0 H ASP A 51 -2.592 -10.248 -12.287 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.264 -7.674 -13.584 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.229 -9.983 -13.782 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.486 -8.482 -14.649 1.00 0.00 H new ATOM 798 N TYR A 52 -3.572 -6.361 -11.871 1.00 0.00 N ATOM 799 CA TYR A 52 -4.423 -5.516 -11.042 1.00 0.00 C ATOM 800 C TYR A 52 -5.716 -5.180 -11.755 1.00 0.00 C ATOM 801 O TYR A 52 -6.730 -4.890 -11.121 1.00 0.00 O ATOM 802 CB TYR A 52 -3.688 -4.215 -10.716 1.00 0.00 C ATOM 803 CG TYR A 52 -4.638 -3.226 -10.063 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.904 -3.305 -8.693 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.258 -2.238 -10.841 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.790 -2.397 -8.098 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.143 -1.329 -10.245 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.409 -1.410 -8.873 1.00 0.00 C ATOM 809 OH TYR A 52 -7.280 -0.515 -8.284 1.00 0.00 O ATOM 0 H TYR A 52 -2.672 -5.946 -12.111 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.656 -6.062 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.850 -4.419 -10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.273 -3.785 -11.628 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.427 -4.066 -8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.054 -2.177 -11.900 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.995 -2.459 -7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.619 -0.567 -10.844 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.443 0.233 -8.896 1.00 0.00 H new ATOM 819 N ALA A 53 -5.672 -5.210 -13.072 1.00 0.00 N ATOM 820 CA ALA A 53 -6.846 -4.896 -13.867 1.00 0.00 C ATOM 821 C ALA A 53 -7.810 -6.074 -13.894 1.00 0.00 C ATOM 822 O ALA A 53 -8.955 -5.939 -14.325 1.00 0.00 O ATOM 823 CB ALA A 53 -6.419 -4.546 -15.291 1.00 0.00 C ATOM 0 H ALA A 53 -4.841 -5.447 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.355 -4.044 -13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.300 -4.310 -15.888 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.754 -3.683 -15.270 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.898 -5.395 -15.734 1.00 0.00 H new ATOM 829 N GLU A 54 -7.336 -7.237 -13.447 1.00 0.00 N ATOM 830 CA GLU A 54 -8.147 -8.441 -13.427 1.00 0.00 C ATOM 831 C GLU A 54 -8.805 -8.622 -12.068 1.00 0.00 C ATOM 832 O GLU A 54 -9.673 -9.479 -11.902 1.00 0.00 O ATOM 833 CB GLU A 54 -7.255 -9.639 -13.708 1.00 0.00 C ATOM 834 CG GLU A 54 -6.925 -9.721 -15.201 1.00 0.00 C ATOM 835 CD GLU A 54 -8.175 -10.094 -15.992 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.080 -10.656 -15.395 1.00 0.00 O ATOM 837 OE2 GLU A 54 -8.202 -9.832 -17.182 1.00 0.00 O ATOM 0 H GLU A 54 -6.388 -7.365 -13.093 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.925 -8.356 -14.186 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.335 -9.559 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.753 -10.554 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.537 -8.764 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.144 -10.462 -15.369 1.00 0.00 H new ATOM 844 N LEU A 55 -8.381 -7.826 -11.093 1.00 0.00 N ATOM 845 CA LEU A 55 -8.929 -7.921 -9.746 1.00 0.00 C ATOM 846 C LEU A 55 -10.124 -6.998 -9.579 1.00 0.00 C ATOM 847 O LEU A 55 -10.253 -5.991 -10.278 1.00 0.00 O ATOM 848 CB LEU A 55 -7.832 -7.555 -8.750 1.00 0.00 C ATOM 849 CG LEU A 55 -6.758 -8.663 -8.736 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.519 -8.192 -7.956 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.327 -9.947 -8.089 1.00 0.00 C ATOM 0 H LEU A 55 -7.663 -7.111 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.273 -8.939 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.382 -6.601 -9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.257 -7.433 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.468 -8.880 -9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.769 -8.983 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.107 -7.302 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.802 -7.957 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.561 -10.722 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.633 -9.733 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.188 -10.292 -8.661 1.00 0.00 H new ATOM 863 N ASP A 56 -11.009 -7.361 -8.649 1.00 0.00 N ATOM 864 CA ASP A 56 -12.214 -6.581 -8.384 1.00 0.00 C ATOM 865 C ASP A 56 -12.365 -6.338 -6.873 1.00 0.00 C ATOM 866 O ASP A 56 -11.713 -7.007 -6.069 1.00 0.00 O ATOM 867 CB ASP A 56 -13.433 -7.355 -8.922 1.00 0.00 C ATOM 868 CG ASP A 56 -13.648 -7.053 -10.403 1.00 0.00 C ATOM 869 OD1 ASP A 56 -14.250 -6.035 -10.696 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.217 -7.852 -11.218 1.00 0.00 O ATOM 0 H ASP A 56 -10.911 -8.193 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.144 -5.614 -8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.282 -8.425 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.323 -7.081 -8.356 1.00 0.00 H new ATOM 875 N PRO A 57 -13.211 -5.414 -6.464 1.00 0.00 N ATOM 876 CA PRO A 57 -13.431 -5.117 -5.020 1.00 0.00 C ATOM 877 C PRO A 57 -14.309 -6.192 -4.396 1.00 0.00 C ATOM 878 O PRO A 57 -14.624 -6.153 -3.212 1.00 0.00 O ATOM 879 CB PRO A 57 -14.130 -3.736 -4.997 1.00 0.00 C ATOM 880 CG PRO A 57 -14.315 -3.325 -6.436 1.00 0.00 C ATOM 881 CD PRO A 57 -14.059 -4.557 -7.308 1.00 0.00 C ATOM 0 HA PRO A 57 -12.504 -5.103 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.090 -3.796 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.526 -3.005 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.323 -2.944 -6.598 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.625 -2.522 -6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.989 -5.056 -7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.558 -4.291 -8.239 1.00 0.00 H new ATOM 889 N ALA A 58 -14.717 -7.135 -5.228 1.00 0.00 N ATOM 890 CA ALA A 58 -15.569 -8.231 -4.785 1.00 0.00 C ATOM 891 C ALA A 58 -14.767 -9.217 -3.943 1.00 0.00 C ATOM 892 O ALA A 58 -15.230 -9.695 -2.909 1.00 0.00 O ATOM 893 CB ALA A 58 -16.137 -8.956 -6.007 1.00 0.00 C ATOM 0 H ALA A 58 -14.472 -7.166 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.381 -7.827 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.775 -9.777 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.723 -8.258 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.318 -9.351 -6.609 1.00 0.00 H new ATOM 899 N LYS A 59 -13.569 -9.526 -4.424 1.00 0.00 N ATOM 900 CA LYS A 59 -12.679 -10.482 -3.761 1.00 0.00 C ATOM 901 C LYS A 59 -11.636 -9.775 -2.888 1.00 0.00 C ATOM 902 O LYS A 59 -10.440 -9.863 -3.143 1.00 0.00 O ATOM 903 CB LYS A 59 -11.976 -11.323 -4.833 1.00 0.00 C ATOM 904 CG LYS A 59 -11.271 -10.413 -5.853 1.00 0.00 C ATOM 905 CD LYS A 59 -10.856 -11.217 -7.088 1.00 0.00 C ATOM 906 CE LYS A 59 -9.746 -12.201 -6.719 1.00 0.00 C ATOM 907 NZ LYS A 59 -9.170 -12.780 -7.965 1.00 0.00 N ATOM 0 H LYS A 59 -13.185 -9.126 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.276 -11.117 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.249 -11.986 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.703 -11.956 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.936 -9.601 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.393 -9.956 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.715 -11.757 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.511 -10.543 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.969 -11.694 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.143 -12.994 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.248 -13.817 -7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.691 -12.418 -8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.169 -12.510 -8.043 1.00 0.00 H new ATOM 921 N ARG A 60 -12.100 -9.080 -1.863 1.00 0.00 N ATOM 922 CA ARG A 60 -11.192 -8.361 -0.967 1.00 0.00 C ATOM 923 C ARG A 60 -10.279 -9.310 -0.188 1.00 0.00 C ATOM 924 O ARG A 60 -9.092 -9.037 -0.019 1.00 0.00 O ATOM 925 CB ARG A 60 -12.002 -7.511 0.014 1.00 0.00 C ATOM 926 CG ARG A 60 -12.630 -6.338 -0.738 1.00 0.00 C ATOM 927 CD ARG A 60 -13.487 -5.509 0.217 1.00 0.00 C ATOM 928 NE ARG A 60 -14.663 -6.271 0.624 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.474 -5.828 1.578 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.988 -4.631 1.496 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.757 -6.592 2.598 1.00 0.00 N ATOM 0 H ARG A 60 -13.089 -8.995 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.558 -7.724 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.778 -8.116 0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.358 -7.144 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.850 -5.715 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.241 -6.708 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.903 -5.231 1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.794 -4.583 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.866 -7.160 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.767 -4.035 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.611 -4.292 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.355 -7.527 2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.380 -6.253 3.332 1.00 0.00 H new ATOM 945 N ARG A 61 -10.830 -10.412 0.304 1.00 0.00 N ATOM 946 CA ARG A 61 -10.032 -11.351 1.093 1.00 0.00 C ATOM 947 C ARG A 61 -8.773 -11.750 0.341 1.00 0.00 C ATOM 948 O ARG A 61 -7.670 -11.731 0.890 1.00 0.00 O ATOM 949 CB ARG A 61 -10.844 -12.613 1.364 1.00 0.00 C ATOM 950 CG ARG A 61 -12.005 -12.292 2.303 1.00 0.00 C ATOM 951 CD ARG A 61 -12.830 -13.556 2.541 1.00 0.00 C ATOM 952 NE ARG A 61 -13.928 -13.276 3.461 1.00 0.00 N ATOM 953 CZ ARG A 61 -15.104 -12.833 3.022 1.00 0.00 C ATOM 954 NH1 ARG A 61 -15.830 -13.581 2.239 1.00 0.00 N ATOM 955 NH2 ARG A 61 -15.529 -11.648 3.374 1.00 0.00 N ATOM 0 H ARG A 61 -11.807 -10.678 0.176 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.760 -10.861 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.224 -13.019 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.207 -13.378 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.626 -11.908 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.631 -11.512 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.224 -13.925 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.195 -14.342 2.950 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.791 -13.423 4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.497 -14.505 1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.731 -13.242 1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.959 -11.063 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.430 -11.309 3.038 1.00 0.00 H new ATOM 969 N HIS A 62 -8.957 -12.108 -0.916 1.00 0.00 N ATOM 970 CA HIS A 62 -7.854 -12.517 -1.759 1.00 0.00 C ATOM 971 C HIS A 62 -6.908 -11.349 -2.027 1.00 0.00 C ATOM 972 O HIS A 62 -5.698 -11.531 -2.108 1.00 0.00 O ATOM 973 CB HIS A 62 -8.409 -13.038 -3.083 1.00 0.00 C ATOM 974 CG HIS A 62 -9.084 -14.367 -2.862 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.366 -15.537 -2.655 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.409 -14.732 -2.819 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.254 -16.537 -2.501 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.513 -16.101 -2.593 1.00 0.00 N ATOM 0 H HIS A 62 -9.867 -12.123 -1.376 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.293 -13.300 -1.249 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.119 -12.323 -3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.603 -13.145 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.243 -14.058 -2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.981 -17.567 -2.324 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.367 -16.653 -2.514 1.00 0.00 H new ATOM 986 N ASN A 63 -7.475 -10.156 -2.159 1.00 0.00 N ATOM 987 CA ASN A 63 -6.679 -8.956 -2.427 1.00 0.00 C ATOM 988 C ASN A 63 -5.691 -8.712 -1.305 1.00 0.00 C ATOM 989 O ASN A 63 -4.531 -8.376 -1.543 1.00 0.00 O ATOM 990 CB ASN A 63 -7.608 -7.747 -2.547 1.00 0.00 C ATOM 991 CG ASN A 63 -6.877 -6.545 -3.144 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.099 -5.882 -2.459 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.106 -6.214 -4.385 1.00 0.00 N ATOM 0 H ASN A 63 -8.479 -9.990 -2.086 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.130 -9.102 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.463 -8.003 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.999 -7.486 -1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.639 -5.403 -4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.752 -6.766 -4.949 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.149 -8.893 -0.076 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.268 -8.693 1.065 1.00 0.00 C ATOM 1002 C PHE A 64 -4.206 -9.789 1.093 1.00 0.00 C ATOM 1003 O PHE A 64 -3.009 -9.504 1.118 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.076 -8.689 2.367 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.795 -7.363 2.533 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.073 -6.214 2.891 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.179 -7.278 2.334 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.734 -4.988 3.042 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.838 -6.053 2.487 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.116 -4.909 2.840 1.00 0.00 C ATOM 0 H PHE A 64 -7.103 -9.171 0.155 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.773 -7.727 0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.799 -9.504 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.413 -8.861 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.007 -6.275 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.739 -8.160 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.177 -4.104 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.905 -5.991 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.625 -3.964 2.957 1.00 0.00 H new ATOM 1020 N THR A 65 -4.646 -11.045 1.065 1.00 0.00 N ATOM 1021 CA THR A 65 -3.707 -12.159 1.080 1.00 0.00 C ATOM 1022 C THR A 65 -2.741 -12.025 -0.088 1.00 0.00 C ATOM 1023 O THR A 65 -1.539 -12.234 0.058 1.00 0.00 O ATOM 1024 CB THR A 65 -4.444 -13.496 0.961 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.535 -13.525 1.868 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.476 -14.637 1.287 1.00 0.00 C ATOM 0 H THR A 65 -5.630 -11.312 1.032 1.00 0.00 H new ATOM 0 HA THR A 65 -3.165 -12.136 2.025 1.00 0.00 H new ATOM 0 HB THR A 65 -4.821 -13.614 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.302 -13.060 1.472 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.997 -15.591 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.641 -14.617 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.100 -14.516 2.303 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.289 -11.677 -1.244 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.490 -11.514 -2.449 1.00 0.00 C ATOM 1036 C LEU A 66 -1.463 -10.407 -2.280 1.00 0.00 C ATOM 1037 O LEU A 66 -0.287 -10.590 -2.580 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.426 -11.165 -3.604 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.653 -10.962 -4.913 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.953 -12.264 -5.324 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.652 -10.555 -5.997 1.00 0.00 C ATOM 0 H LEU A 66 -4.286 -11.502 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.956 -12.443 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.159 -11.961 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.980 -10.258 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.896 -10.190 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.408 -12.106 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.256 -12.565 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.697 -13.047 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.125 -10.405 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.397 -11.341 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.147 -9.628 -5.706 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.909 -9.255 -1.812 1.00 0.00 N ATOM 1054 CA ALA A 67 -1.000 -8.139 -1.639 1.00 0.00 C ATOM 1055 C ALA A 67 0.121 -8.528 -0.695 1.00 0.00 C ATOM 1056 O ALA A 67 1.282 -8.171 -0.904 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.743 -6.932 -1.074 1.00 0.00 C ATOM 0 H ALA A 67 -2.877 -9.070 -1.549 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.583 -7.877 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.047 -6.102 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.538 -6.640 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.176 -7.191 -0.108 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.233 -9.272 0.341 1.00 0.00 N ATOM 1064 CA PHE A 68 0.750 -9.708 1.313 1.00 0.00 C ATOM 1065 C PHE A 68 1.537 -10.914 0.802 1.00 0.00 C ATOM 1066 O PHE A 68 2.765 -10.919 0.850 1.00 0.00 O ATOM 1067 CB PHE A 68 0.059 -10.040 2.645 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.579 -8.789 3.236 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.199 -7.646 3.486 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.952 -8.769 3.545 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.388 -6.500 4.034 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.535 -7.619 4.095 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.753 -6.485 4.339 1.00 0.00 C ATOM 0 H PHE A 68 -1.186 -9.583 0.527 1.00 0.00 H new ATOM 0 HA PHE A 68 1.458 -8.894 1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.702 -10.805 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.785 -10.452 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.254 -7.652 3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.558 -9.643 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.215 -5.624 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.589 -7.608 4.331 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.203 -5.599 4.762 1.00 0.00 H new ATOM 1083 N SER A 69 0.834 -11.928 0.314 1.00 0.00 N ATOM 1084 CA SER A 69 1.503 -13.122 -0.195 1.00 0.00 C ATOM 1085 C SER A 69 2.415 -12.778 -1.370 1.00 0.00 C ATOM 1086 O SER A 69 3.457 -13.414 -1.565 1.00 0.00 O ATOM 1087 CB SER A 69 0.479 -14.167 -0.635 1.00 0.00 C ATOM 1088 OG SER A 69 -0.140 -14.731 0.516 1.00 0.00 O ATOM 0 H SER A 69 -0.184 -11.951 0.259 1.00 0.00 H new ATOM 0 HA SER A 69 2.109 -13.531 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.272 -13.709 -1.279 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.966 -14.947 -1.219 1.00 0.00 H new ATOM 0 HG SER A 69 -0.678 -15.506 0.251 1.00 0.00 H new ATOM 1094 N THR A 70 2.046 -11.750 -2.129 1.00 0.00 N ATOM 1095 CA THR A 70 2.874 -11.333 -3.250 1.00 0.00 C ATOM 1096 C THR A 70 4.097 -10.573 -2.750 1.00 0.00 C ATOM 1097 O THR A 70 5.225 -10.871 -3.141 1.00 0.00 O ATOM 1098 CB THR A 70 2.081 -10.454 -4.220 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.861 -11.095 -4.558 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.905 -10.226 -5.487 1.00 0.00 C ATOM 0 H THR A 70 1.197 -11.202 -1.991 1.00 0.00 H new ATOM 0 HA THR A 70 3.199 -12.229 -3.780 1.00 0.00 H new ATOM 0 HB THR A 70 1.865 -9.496 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.126 -10.684 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.342 -9.600 -6.179 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.841 -9.730 -5.228 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.121 -11.185 -5.958 1.00 0.00 H new ATOM 1108 N ALA A 71 3.866 -9.583 -1.895 1.00 0.00 N ATOM 1109 CA ALA A 71 4.960 -8.784 -1.364 1.00 0.00 C ATOM 1110 C ALA A 71 5.915 -9.643 -0.544 1.00 0.00 C ATOM 1111 O ALA A 71 7.115 -9.372 -0.493 1.00 0.00 O ATOM 1112 CB ALA A 71 4.419 -7.652 -0.491 1.00 0.00 C ATOM 0 H ALA A 71 2.940 -9.318 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 71 5.504 -8.362 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.250 -7.064 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.769 -7.011 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.852 -8.072 0.339 1.00 0.00 H new ATOM 1118 N GLU A 72 5.384 -10.681 0.095 1.00 0.00 N ATOM 1119 CA GLU A 72 6.220 -11.559 0.904 1.00 0.00 C ATOM 1120 C GLU A 72 7.142 -12.388 0.018 1.00 0.00 C ATOM 1121 O GLU A 72 8.353 -12.430 0.225 1.00 0.00 O ATOM 1122 CB GLU A 72 5.343 -12.492 1.749 1.00 0.00 C ATOM 1123 CG GLU A 72 6.224 -13.299 2.710 1.00 0.00 C ATOM 1124 CD GLU A 72 5.363 -14.227 3.563 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.176 -13.969 3.672 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.907 -15.177 4.104 1.00 0.00 O ATOM 0 H GLU A 72 4.396 -10.932 0.070 1.00 0.00 H new ATOM 0 HA GLU A 72 6.828 -10.940 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.613 -11.910 2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.783 -13.166 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.951 -13.883 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.788 -12.623 3.352 1.00 0.00 H new ATOM 1133 N LYS A 73 6.580 -13.059 -0.974 1.00 0.00 N ATOM 1134 CA LYS A 73 7.404 -13.881 -1.847 1.00 0.00 C ATOM 1135 C LYS A 73 8.424 -13.026 -2.603 1.00 0.00 C ATOM 1136 O LYS A 73 9.564 -13.447 -2.813 1.00 0.00 O ATOM 1137 CB LYS A 73 6.521 -14.644 -2.845 1.00 0.00 C ATOM 1138 CG LYS A 73 5.681 -15.715 -2.121 1.00 0.00 C ATOM 1139 CD LYS A 73 4.928 -16.582 -3.145 1.00 0.00 C ATOM 1140 CE LYS A 73 3.987 -15.702 -3.981 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.732 -15.175 -5.158 1.00 0.00 N ATOM 0 H LYS A 73 5.584 -13.054 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 73 7.946 -14.595 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.862 -13.947 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.145 -15.116 -3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.328 -16.343 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.971 -15.236 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.638 -17.091 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.357 -17.355 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.124 -16.281 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.607 -14.878 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.766 -14.137 -5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.701 -15.554 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.250 -15.466 -6.033 1.00 0.00 H new ATOM 1155 N LEU A 74 8.000 -11.839 -3.031 1.00 0.00 N ATOM 1156 CA LEU A 74 8.869 -10.945 -3.785 1.00 0.00 C ATOM 1157 C LEU A 74 9.763 -10.083 -2.891 1.00 0.00 C ATOM 1158 O LEU A 74 10.912 -9.828 -3.246 1.00 0.00 O ATOM 1159 CB LEU A 74 8.010 -10.038 -4.674 1.00 0.00 C ATOM 1160 CG LEU A 74 7.172 -10.877 -5.655 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.309 -9.941 -6.517 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.092 -11.709 -6.571 1.00 0.00 C ATOM 0 H LEU A 74 7.061 -11.476 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 74 9.529 -11.569 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.352 -9.429 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.650 -9.352 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 74 6.534 -11.553 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.714 -10.533 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.646 -9.362 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.954 -9.263 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.485 -12.297 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.740 -11.041 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.702 -12.377 -5.964 1.00 0.00 H new ATOM 1174 N ALA A 75 9.238 -9.596 -1.759 1.00 0.00 N ATOM 1175 CA ALA A 75 10.034 -8.720 -0.882 1.00 0.00 C ATOM 1176 C ALA A 75 10.124 -9.240 0.549 1.00 0.00 C ATOM 1177 O ALA A 75 10.751 -8.600 1.394 1.00 0.00 O ATOM 1178 CB ALA A 75 9.412 -7.323 -0.871 1.00 0.00 C ATOM 0 H ALA A 75 8.290 -9.786 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 75 11.048 -8.695 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.997 -6.670 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.406 -6.919 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.390 -7.383 -0.498 1.00 0.00 H new ATOM 1184 N ASP A 76 9.525 -10.390 0.837 1.00 0.00 N ATOM 1185 CA ASP A 76 9.595 -10.929 2.195 1.00 0.00 C ATOM 1186 C ASP A 76 9.247 -9.839 3.203 1.00 0.00 C ATOM 1187 O ASP A 76 9.845 -9.751 4.275 1.00 0.00 O ATOM 1188 CB ASP A 76 11.006 -11.451 2.454 1.00 0.00 C ATOM 1189 CG ASP A 76 11.044 -12.225 3.766 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.043 -12.226 4.462 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.076 -12.811 4.053 1.00 0.00 O ATOM 0 H ASP A 76 8.999 -10.956 0.171 1.00 0.00 H new ATOM 0 HA ASP A 76 8.881 -11.746 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.320 -12.095 1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.709 -10.619 2.493 1.00 0.00 H new ATOM 1196 N CYS A 77 8.288 -9.001 2.821 1.00 0.00 N ATOM 1197 CA CYS A 77 7.840 -7.884 3.652 1.00 0.00 C ATOM 1198 C CYS A 77 7.586 -8.298 5.106 1.00 0.00 C ATOM 1199 O CYS A 77 7.952 -9.389 5.541 1.00 0.00 O ATOM 1200 CB CYS A 77 6.554 -7.301 3.058 1.00 0.00 C ATOM 1201 SG CYS A 77 5.185 -8.459 3.309 1.00 0.00 S ATOM 0 H CYS A 77 7.799 -9.075 1.929 1.00 0.00 H new ATOM 0 HA CYS A 77 8.636 -7.140 3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.325 -6.345 3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.689 -7.108 1.994 1.00 0.00 H new ATOM 0 HG CYS A 77 4.873 -8.495 4.570 1.00 0.00 H new ATOM 1207 N ALA A 78 6.941 -7.395 5.844 1.00 0.00 N ATOM 1208 CA ALA A 78 6.615 -7.627 7.249 1.00 0.00 C ATOM 1209 C ALA A 78 5.261 -8.326 7.371 1.00 0.00 C ATOM 1210 O ALA A 78 4.554 -8.495 6.380 1.00 0.00 O ATOM 1211 CB ALA A 78 6.580 -6.290 7.998 1.00 0.00 C ATOM 0 H ALA A 78 6.633 -6.490 5.488 1.00 0.00 H new ATOM 0 HA ALA A 78 7.380 -8.267 7.688 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.337 -6.466 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.555 -5.808 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.823 -5.644 7.553 1.00 0.00 H new ATOM 1217 N GLN A 79 4.902 -8.733 8.591 1.00 0.00 N ATOM 1218 CA GLN A 79 3.634 -9.409 8.839 1.00 0.00 C ATOM 1219 C GLN A 79 2.847 -8.659 9.911 1.00 0.00 C ATOM 1220 O GLN A 79 2.255 -9.266 10.804 1.00 0.00 O ATOM 1221 CB GLN A 79 3.911 -10.837 9.320 1.00 0.00 C ATOM 1222 CG GLN A 79 2.659 -11.684 9.129 1.00 0.00 C ATOM 1223 CD GLN A 79 2.869 -13.076 9.713 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.884 -13.328 10.364 1.00 0.00 O ATOM 1225 NE2 GLN A 79 1.967 -13.999 9.524 1.00 0.00 N ATOM 0 H GLN A 79 5.477 -8.604 9.423 1.00 0.00 H new ATOM 0 HA GLN A 79 3.052 -9.434 7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.743 -11.266 8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.202 -10.829 10.370 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.809 -11.203 9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.421 -11.759 8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.127 -13.789 8.985 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.101 -14.931 9.916 1.00 0.00 H new ATOM 1234 N LEU A 80 2.871 -7.336 9.836 1.00 0.00 N ATOM 1235 CA LEU A 80 2.181 -6.507 10.820 1.00 0.00 C ATOM 1236 C LEU A 80 0.660 -6.585 10.658 1.00 0.00 C ATOM 1237 O LEU A 80 -0.079 -6.396 11.626 1.00 0.00 O ATOM 1238 CB LEU A 80 2.606 -5.038 10.679 1.00 0.00 C ATOM 1239 CG LEU A 80 4.122 -4.915 10.506 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.500 -3.437 10.555 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.853 -5.656 11.620 1.00 0.00 C ATOM 0 H LEU A 80 3.358 -6.813 9.108 1.00 0.00 H new ATOM 0 HA LEU A 80 2.456 -6.888 11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.102 -4.591 9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.291 -4.479 11.560 1.00 0.00 H new ATOM 0 HG LEU A 80 4.409 -5.354 9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.578 -3.333 10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.991 -2.904 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.201 -3.017 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.929 -5.556 11.478 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.573 -5.231 12.584 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.580 -6.711 11.595 1.00 0.00 H new ATOM 1253 N LEU A 81 0.185 -6.831 9.429 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.271 -6.892 9.160 1.00 0.00 C ATOM 1255 C LEU A 81 -1.734 -8.302 8.798 1.00 0.00 C ATOM 1256 O LEU A 81 -1.043 -9.039 8.097 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.646 -5.952 7.993 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.758 -4.706 8.005 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.080 -3.831 6.794 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.035 -3.911 9.277 1.00 0.00 C ATOM 0 H LEU A 81 0.773 -6.990 8.611 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.766 -6.582 10.080 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.534 -6.477 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.693 -5.661 8.074 1.00 0.00 H new ATOM 0 HG LEU A 81 0.289 -5.007 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.445 -2.945 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.898 -4.395 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.126 -3.528 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.406 -3.021 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.084 -3.615 9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.813 -4.528 10.147 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.936 -8.645 9.267 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.541 -9.947 8.990 1.00 0.00 C ATOM 1274 C GLU A 82 -4.783 -9.775 8.122 1.00 0.00 C ATOM 1275 O GLU A 82 -5.643 -8.943 8.404 1.00 0.00 O ATOM 1276 CB GLU A 82 -3.913 -10.632 10.300 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.633 -11.028 11.034 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.974 -11.653 12.381 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.150 -11.860 12.635 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.056 -11.909 13.142 1.00 0.00 O ATOM 0 H GLU A 82 -3.512 -8.033 9.845 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.821 -10.566 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.510 -9.962 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.523 -11.514 10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.062 -11.734 10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.002 -10.151 11.180 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.855 -10.565 7.060 1.00 0.00 N ATOM 1288 CA VAL A 83 -5.971 -10.505 6.128 1.00 0.00 C ATOM 1289 C VAL A 83 -7.314 -10.541 6.852 1.00 0.00 C ATOM 1290 O VAL A 83 -8.177 -9.689 6.632 1.00 0.00 O ATOM 1291 CB VAL A 83 -5.863 -11.717 5.194 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.112 -11.816 4.300 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.578 -11.603 4.344 1.00 0.00 C ATOM 0 H VAL A 83 -4.148 -11.260 6.822 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.924 -9.568 5.573 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.806 -12.628 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.021 -12.681 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.999 -11.926 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.202 -10.911 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.503 -12.465 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.615 -10.690 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.709 -11.574 5.001 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.492 -11.546 7.690 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.741 -11.714 8.417 1.00 0.00 C ATOM 1305 C ASP A 84 -9.102 -10.454 9.197 1.00 0.00 C ATOM 1306 O ASP A 84 -10.250 -10.011 9.176 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.615 -12.891 9.383 1.00 0.00 C ATOM 1308 CG ASP A 84 -9.973 -13.208 9.995 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -10.902 -12.457 9.748 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -10.066 -14.200 10.697 1.00 0.00 O ATOM 0 H ASP A 84 -6.789 -12.259 7.885 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.533 -11.906 7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.231 -13.765 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.899 -12.652 10.169 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.120 -9.882 9.880 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.355 -8.676 10.662 1.00 0.00 C ATOM 1317 C ASP A 85 -8.796 -7.540 9.755 1.00 0.00 C ATOM 1318 O ASP A 85 -9.742 -6.817 10.062 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.076 -8.281 11.396 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.821 -9.231 12.561 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.744 -9.927 12.945 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.703 -9.249 13.051 1.00 0.00 O ATOM 0 H ASP A 85 -7.161 -10.230 9.909 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.143 -8.874 11.388 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.231 -8.304 10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.160 -7.258 11.763 1.00 0.00 H new ATOM 1327 N MET A 86 -8.113 -7.399 8.630 1.00 0.00 N ATOM 1328 CA MET A 86 -8.454 -6.355 7.678 1.00 0.00 C ATOM 1329 C MET A 86 -9.875 -6.549 7.178 1.00 0.00 C ATOM 1330 O MET A 86 -10.653 -5.599 7.080 1.00 0.00 O ATOM 1331 CB MET A 86 -7.496 -6.421 6.485 1.00 0.00 C ATOM 1332 CG MET A 86 -6.050 -6.117 6.927 1.00 0.00 C ATOM 1333 SD MET A 86 -5.217 -5.160 5.640 1.00 0.00 S ATOM 1334 CE MET A 86 -5.803 -3.528 6.161 1.00 0.00 C ATOM 0 H MET A 86 -7.327 -7.988 8.356 1.00 0.00 H new ATOM 0 HA MET A 86 -8.372 -5.387 8.172 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.542 -7.411 6.030 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.806 -5.706 5.723 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.054 -5.560 7.864 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.511 -7.047 7.111 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.866 -2.870 5.294 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.789 -3.624 6.616 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.108 -3.106 6.887 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.194 -7.794 6.879 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.513 -8.148 6.387 1.00 0.00 C ATOM 1346 C VAL A 87 -12.584 -7.862 7.433 1.00 0.00 C ATOM 1347 O VAL A 87 -13.638 -7.308 7.118 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.522 -9.633 6.018 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.944 -10.075 5.654 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.582 -9.861 4.823 1.00 0.00 C ATOM 0 H VAL A 87 -9.553 -8.582 6.969 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.737 -7.544 5.508 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.180 -10.221 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.940 -11.133 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.604 -9.914 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.300 -9.493 4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.584 -10.918 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.924 -9.270 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.571 -9.557 5.092 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.311 -8.242 8.676 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.259 -8.032 9.760 1.00 0.00 C ATOM 1362 C ARG A 88 -13.358 -6.560 10.140 1.00 0.00 C ATOM 1363 O ARG A 88 -14.454 -6.014 10.266 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.801 -8.839 10.977 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.000 -10.326 10.701 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.492 -11.149 11.887 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.287 -10.860 13.072 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.992 -11.399 14.249 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.755 -11.441 14.658 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.944 -11.890 14.996 1.00 0.00 N ATOM 0 H ARG A 88 -11.442 -8.696 8.956 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.244 -8.360 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.752 -8.634 11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.369 -8.542 11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.056 -10.534 10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.466 -10.611 9.794 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.547 -12.212 11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.444 -10.919 12.077 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.086 -10.231 12.996 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.011 -11.059 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.531 -11.856 15.563 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.912 -11.859 14.675 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.720 -12.305 15.901 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.210 -5.925 10.329 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.193 -4.522 10.710 1.00 0.00 C ATOM 1386 C LEU A 89 -12.797 -3.663 9.608 1.00 0.00 C ATOM 1387 O LEU A 89 -13.664 -2.822 9.860 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.744 -4.079 10.964 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.184 -4.760 12.226 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.659 -4.585 12.264 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.793 -4.128 13.493 1.00 0.00 C ATOM 0 H LEU A 89 -11.290 -6.353 10.226 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.784 -4.398 11.617 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.125 -4.330 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.704 -2.996 11.080 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.441 -5.819 12.196 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.260 -5.066 13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.218 -5.041 11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.415 -3.523 12.285 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.387 -4.621 14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.547 -3.067 13.524 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.876 -4.249 13.476 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.296 -3.852 8.396 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.748 -3.054 7.265 1.00 0.00 C ATOM 1405 C ALA A 90 -12.467 -1.593 7.595 1.00 0.00 C ATOM 1406 O ALA A 90 -13.149 -0.681 7.132 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.246 -3.271 7.012 1.00 0.00 C ATOM 0 H ALA A 90 -11.582 -4.545 8.171 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.221 -3.349 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.563 -2.666 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.430 -4.323 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.811 -2.978 7.897 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.425 -1.416 8.409 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.973 -0.101 8.859 1.00 0.00 C ATOM 1415 C VAL A 91 -9.549 -0.216 9.424 1.00 0.00 C ATOM 1416 O VAL A 91 -9.381 -0.501 10.609 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.907 0.431 9.964 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.289 1.679 10.616 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.276 0.795 9.366 1.00 0.00 C ATOM 0 H VAL A 91 -10.868 -2.187 8.776 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.986 0.585 8.012 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.037 -0.346 10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.954 2.049 11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.325 1.421 11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.149 2.453 9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.929 1.170 10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.148 1.564 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.723 -0.091 8.915 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.525 -0.003 8.626 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.120 -0.090 9.108 1.00 0.00 C ATOM 1431 C PRO A 92 -6.758 1.104 9.986 1.00 0.00 C ATOM 1432 O PRO A 92 -7.586 1.981 10.234 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.258 -0.134 7.825 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.215 -0.084 6.663 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.583 0.342 7.202 1.00 0.00 C ATOM 0 HA PRO A 92 -6.958 -0.968 9.733 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.566 0.708 7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.657 -1.042 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.865 0.621 5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.281 -1.059 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.755 1.408 7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.393 -0.184 6.696 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.511 1.132 10.440 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.025 2.226 11.280 1.00 0.00 C ATOM 1445 C ASP A 93 -3.885 2.964 10.587 1.00 0.00 C ATOM 1446 O ASP A 93 -2.955 2.352 10.069 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.567 1.676 12.632 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.779 1.214 13.438 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.883 1.581 13.072 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.586 0.497 14.406 1.00 0.00 O ATOM 0 H ASP A 93 -4.816 0.412 10.242 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.837 2.934 11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.879 0.844 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.024 2.444 13.182 1.00 0.00 H new ATOM 1455 N SER A 94 -3.992 4.286 10.562 1.00 0.00 N ATOM 1456 CA SER A 94 -2.985 5.120 9.913 1.00 0.00 C ATOM 1457 C SER A 94 -1.587 4.721 10.349 1.00 0.00 C ATOM 1458 O SER A 94 -0.636 4.783 9.569 1.00 0.00 O ATOM 1459 CB SER A 94 -3.227 6.587 10.267 1.00 0.00 C ATOM 1460 OG SER A 94 -4.575 6.927 9.973 1.00 0.00 O ATOM 0 H SER A 94 -4.763 4.804 10.982 1.00 0.00 H new ATOM 0 HA SER A 94 -3.067 4.979 8.835 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.020 6.757 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.548 7.226 9.702 1.00 0.00 H new ATOM 0 HG SER A 94 -4.732 7.867 10.201 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.465 4.294 11.592 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.180 3.865 12.116 1.00 0.00 C ATOM 1468 C LYS A 95 0.196 2.507 11.551 1.00 0.00 C ATOM 1469 O LYS A 95 1.372 2.220 11.324 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.241 3.775 13.636 1.00 0.00 C ATOM 1471 CG LYS A 95 1.166 3.562 14.202 1.00 0.00 C ATOM 1472 CD LYS A 95 1.114 3.575 15.739 1.00 0.00 C ATOM 1473 CE LYS A 95 0.604 2.226 16.259 1.00 0.00 C ATOM 1474 NZ LYS A 95 0.809 2.158 17.731 1.00 0.00 N ATOM 0 H LYS A 95 -2.237 4.235 12.256 1.00 0.00 H new ATOM 0 HA LYS A 95 0.573 4.597 11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.673 4.688 14.046 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.891 2.953 13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.570 2.613 13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.835 4.345 13.845 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.106 3.778 16.143 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.460 4.377 16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.453 2.108 16.022 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.134 1.410 15.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.464 1.244 18.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.822 2.253 17.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.284 2.929 18.191 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.809 1.660 11.338 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.560 0.324 10.819 1.00 0.00 C ATOM 1490 C CYS A 96 -0.062 0.388 9.380 1.00 0.00 C ATOM 1491 O CYS A 96 0.975 -0.184 9.040 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.847 -0.511 10.879 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.051 -1.198 12.540 1.00 0.00 S ATOM 0 H CYS A 96 -1.790 1.874 11.515 1.00 0.00 H new ATOM 0 HA CYS A 96 0.207 -0.144 11.435 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.706 0.109 10.623 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.805 -1.316 10.145 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.143 -1.902 12.587 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.817 1.086 8.540 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.457 1.227 7.141 1.00 0.00 C ATOM 1501 C VAL A 97 0.868 1.949 7.046 1.00 0.00 C ATOM 1502 O VAL A 97 1.751 1.561 6.282 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.521 2.045 6.406 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.094 2.262 4.954 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.859 1.305 6.446 1.00 0.00 C ATOM 0 H VAL A 97 -1.680 1.561 8.806 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.385 0.239 6.687 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.631 3.013 6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.854 2.845 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.146 2.799 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.977 1.297 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.614 1.890 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.752 0.334 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.165 1.163 7.482 1.00 0.00 H new ATOM 1515 N TYR A 98 1.000 3.002 7.835 1.00 0.00 N ATOM 1516 CA TYR A 98 2.220 3.778 7.847 1.00 0.00 C ATOM 1517 C TYR A 98 3.389 2.906 8.271 1.00 0.00 C ATOM 1518 O TYR A 98 4.422 2.863 7.603 1.00 0.00 O ATOM 1519 CB TYR A 98 2.067 4.942 8.833 1.00 0.00 C ATOM 1520 CG TYR A 98 3.389 5.653 8.990 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.369 5.121 9.838 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.638 6.836 8.289 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.599 5.771 9.980 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.869 7.489 8.436 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.849 6.954 9.281 1.00 0.00 C ATOM 1526 OH TYR A 98 7.062 7.593 9.418 1.00 0.00 O ATOM 0 H TYR A 98 0.277 3.335 8.473 1.00 0.00 H new ATOM 0 HA TYR A 98 2.411 4.163 6.845 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.309 5.638 8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.726 4.570 9.799 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.175 4.209 10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.883 7.246 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.356 5.358 10.630 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.062 8.405 7.897 1.00 0.00 H new ATOM 0 HH TYR A 98 7.277 8.067 8.588 1.00 0.00 H new ATOM 1536 N THR A 99 3.217 2.213 9.387 1.00 0.00 N ATOM 1537 CA THR A 99 4.269 1.354 9.896 1.00 0.00 C ATOM 1538 C THR A 99 4.609 0.291 8.861 1.00 0.00 C ATOM 1539 O THR A 99 5.779 0.000 8.617 1.00 0.00 O ATOM 1540 CB THR A 99 3.824 0.681 11.196 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.500 1.677 12.156 1.00 0.00 O ATOM 1542 CG2 THR A 99 4.962 -0.190 11.736 1.00 0.00 C ATOM 0 H THR A 99 2.367 2.230 9.951 1.00 0.00 H new ATOM 0 HA THR A 99 5.151 1.962 10.098 1.00 0.00 H new ATOM 0 HB THR A 99 2.949 0.060 11.002 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.552 1.913 12.076 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.645 -0.670 12.662 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.216 -0.953 11.001 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.836 0.432 11.930 1.00 0.00 H new ATOM 1550 N TYR A 100 3.584 -0.286 8.242 1.00 0.00 N ATOM 1551 CA TYR A 100 3.785 -1.306 7.227 1.00 0.00 C ATOM 1552 C TYR A 100 4.576 -0.731 6.059 1.00 0.00 C ATOM 1553 O TYR A 100 5.576 -1.297 5.619 1.00 0.00 O ATOM 1554 CB TYR A 100 2.422 -1.753 6.714 1.00 0.00 C ATOM 1555 CG TYR A 100 2.607 -2.870 5.724 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.628 -4.196 6.167 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.750 -2.582 4.365 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.795 -5.237 5.248 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.916 -3.623 3.443 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.939 -4.952 3.886 1.00 0.00 C ATOM 1561 OH TYR A 100 3.102 -5.980 2.979 1.00 0.00 O ATOM 0 H TYR A 100 2.606 -0.062 8.428 1.00 0.00 H new ATOM 0 HA TYR A 100 4.333 -2.144 7.659 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.799 -2.087 7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.905 -0.916 6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.515 -4.416 7.218 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.733 -1.557 4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.813 -6.261 5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.026 -3.402 2.392 1.00 0.00 H new ATOM 0 HH TYR A 100 3.799 -6.591 3.298 1.00 0.00 H new ATOM 1571 N ILE A 101 4.100 0.409 5.568 1.00 0.00 N ATOM 1572 CA ILE A 101 4.738 1.094 4.454 1.00 0.00 C ATOM 1573 C ILE A 101 6.167 1.450 4.840 1.00 0.00 C ATOM 1574 O ILE A 101 7.085 1.376 4.021 1.00 0.00 O ATOM 1575 CB ILE A 101 3.946 2.372 4.107 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.555 2.007 3.530 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.727 3.223 3.098 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.630 1.712 2.020 1.00 0.00 C ATOM 0 H ILE A 101 3.269 0.879 5.928 1.00 0.00 H new ATOM 0 HA ILE A 101 4.752 0.443 3.580 1.00 0.00 H new ATOM 0 HB ILE A 101 3.804 2.949 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.160 1.136 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.860 2.827 3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.157 4.122 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.688 3.505 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.891 2.648 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.637 1.460 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.001 2.593 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.306 0.875 1.846 1.00 0.00 H new ATOM 1590 N GLN A 102 6.338 1.839 6.101 1.00 0.00 N ATOM 1591 CA GLN A 102 7.650 2.212 6.616 1.00 0.00 C ATOM 1592 C GLN A 102 8.665 1.108 6.361 1.00 0.00 C ATOM 1593 O GLN A 102 9.704 1.327 5.738 1.00 0.00 O ATOM 1594 CB GLN A 102 7.560 2.449 8.123 1.00 0.00 C ATOM 1595 CG GLN A 102 8.796 3.215 8.591 1.00 0.00 C ATOM 1596 CD GLN A 102 8.702 3.499 10.086 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.628 3.379 10.676 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.769 3.874 10.738 1.00 0.00 N ATOM 0 H GLN A 102 5.583 1.904 6.784 1.00 0.00 H new ATOM 0 HA GLN A 102 7.970 3.120 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.658 3.013 8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.488 1.497 8.648 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.694 2.635 8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.883 4.151 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.658 3.973 10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.714 4.068 11.738 1.00 0.00 H new ATOM 1607 N GLU A 103 8.360 -0.077 6.866 1.00 0.00 N ATOM 1608 CA GLU A 103 9.262 -1.205 6.697 1.00 0.00 C ATOM 1609 C GLU A 103 9.449 -1.491 5.214 1.00 0.00 C ATOM 1610 O GLU A 103 10.568 -1.697 4.744 1.00 0.00 O ATOM 1611 CB GLU A 103 8.691 -2.435 7.415 1.00 0.00 C ATOM 1612 CG GLU A 103 9.082 -2.396 8.895 1.00 0.00 C ATOM 1613 CD GLU A 103 8.508 -1.149 9.555 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.349 -1.183 9.934 1.00 0.00 O ATOM 1615 OE2 GLU A 103 9.235 -0.175 9.669 1.00 0.00 O ATOM 0 H GLU A 103 7.508 -0.281 7.389 1.00 0.00 H new ATOM 0 HA GLU A 103 10.232 -0.966 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.606 -2.455 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.070 -3.346 6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.712 -3.288 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.168 -2.402 8.993 1.00 0.00 H new ATOM 1622 N LEU A 104 8.341 -1.513 4.491 1.00 0.00 N ATOM 1623 CA LEU A 104 8.366 -1.787 3.064 1.00 0.00 C ATOM 1624 C LEU A 104 9.201 -0.747 2.333 1.00 0.00 C ATOM 1625 O LEU A 104 10.013 -1.079 1.476 1.00 0.00 O ATOM 1626 CB LEU A 104 6.936 -1.714 2.548 1.00 0.00 C ATOM 1627 CG LEU A 104 6.847 -2.163 1.082 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.194 -3.655 0.954 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.417 -1.927 0.581 1.00 0.00 C ATOM 0 H LEU A 104 7.410 -1.344 4.871 1.00 0.00 H new ATOM 0 HA LEU A 104 8.802 -2.771 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.293 -2.344 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.565 -0.693 2.641 1.00 0.00 H new ATOM 0 HG LEU A 104 7.557 -1.589 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.126 -3.956 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.208 -3.825 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.494 -4.244 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.339 -2.242 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.719 -2.504 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.175 -0.867 0.659 1.00 0.00 H new ATOM 1641 N TYR A 105 8.993 0.511 2.690 1.00 0.00 N ATOM 1642 CA TYR A 105 9.723 1.604 2.069 1.00 0.00 C ATOM 1643 C TYR A 105 11.210 1.343 2.153 1.00 0.00 C ATOM 1644 O TYR A 105 11.947 1.489 1.176 1.00 0.00 O ATOM 1645 CB TYR A 105 9.407 2.894 2.823 1.00 0.00 C ATOM 1646 CG TYR A 105 10.226 4.033 2.273 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.744 4.783 1.197 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.470 4.340 2.842 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.502 5.844 0.689 1.00 0.00 C ATOM 1650 CE2 TYR A 105 12.228 5.400 2.332 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.743 6.152 1.256 1.00 0.00 C ATOM 1652 OH TYR A 105 12.488 7.198 0.754 1.00 0.00 O ATOM 0 H TYR A 105 8.326 0.800 3.405 1.00 0.00 H new ATOM 0 HA TYR A 105 9.429 1.690 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.345 3.124 2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.618 2.764 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.787 4.544 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.843 3.759 3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.129 6.425 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.187 5.638 2.769 1.00 0.00 H new ATOM 0 HH TYR A 105 13.323 7.278 1.261 1.00 0.00 H new ATOM 1662 N ARG A 106 11.643 0.992 3.346 1.00 0.00 N ATOM 1663 CA ARG A 106 13.041 0.743 3.593 1.00 0.00 C ATOM 1664 C ARG A 106 13.562 -0.385 2.710 1.00 0.00 C ATOM 1665 O ARG A 106 14.633 -0.267 2.118 1.00 0.00 O ATOM 1666 CB ARG A 106 13.228 0.410 5.070 1.00 0.00 C ATOM 1667 CG ARG A 106 14.702 0.552 5.415 1.00 0.00 C ATOM 1668 CD ARG A 106 14.958 0.042 6.832 1.00 0.00 C ATOM 1669 NE ARG A 106 14.784 -1.402 6.880 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.743 -2.047 8.039 1.00 0.00 C ATOM 1671 NH1 ARG A 106 15.827 -2.176 8.752 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.616 -2.543 8.464 1.00 0.00 N ATOM 0 H ARG A 106 11.041 0.873 4.161 1.00 0.00 H new ATOM 0 HA ARG A 106 13.616 1.636 3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.629 1.079 5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.887 -0.605 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.306 -0.010 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.004 1.596 5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.968 0.305 7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.272 0.523 7.530 1.00 0.00 H new ATOM 0 HE ARG A 106 14.692 -1.926 6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.707 -1.781 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.795 -2.672 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.769 -2.435 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.581 -3.039 9.354 1.00 0.00 H new ATOM 1686 N SER A 107 12.803 -1.469 2.599 1.00 0.00 N ATOM 1687 CA SER A 107 13.232 -2.581 1.762 1.00 0.00 C ATOM 1688 C SER A 107 13.462 -2.094 0.329 1.00 0.00 C ATOM 1689 O SER A 107 14.423 -2.496 -0.323 1.00 0.00 O ATOM 1690 CB SER A 107 12.178 -3.691 1.767 1.00 0.00 C ATOM 1691 OG SER A 107 12.470 -4.624 0.734 1.00 0.00 O ATOM 0 H SER A 107 11.906 -1.601 3.067 1.00 0.00 H new ATOM 0 HA SER A 107 14.164 -2.980 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.168 -4.194 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.185 -3.266 1.618 1.00 0.00 H new ATOM 0 HG SER A 107 11.797 -5.336 0.737 1.00 0.00 H new ATOM 1697 N LEU A 108 12.570 -1.224 -0.152 1.00 0.00 N ATOM 1698 CA LEU A 108 12.680 -0.690 -1.506 1.00 0.00 C ATOM 1699 C LEU A 108 13.959 0.122 -1.668 1.00 0.00 C ATOM 1700 O LEU A 108 14.602 0.077 -2.716 1.00 0.00 O ATOM 1701 CB LEU A 108 11.498 0.233 -1.817 1.00 0.00 C ATOM 1702 CG LEU A 108 10.170 -0.532 -1.766 1.00 0.00 C ATOM 1703 CD1 LEU A 108 9.015 0.461 -1.937 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.109 -1.580 -2.884 1.00 0.00 C ATOM 0 H LEU A 108 11.769 -0.878 0.375 1.00 0.00 H new ATOM 0 HA LEU A 108 12.688 -1.540 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.476 1.054 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.628 0.675 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 108 10.090 -1.041 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.066 -0.075 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.046 1.197 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.110 0.968 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.160 -2.113 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.195 -1.085 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.929 -2.288 -2.764 1.00 0.00 H new ATOM 1716 N VAL A 109 14.305 0.887 -0.639 1.00 0.00 N ATOM 1717 CA VAL A 109 15.494 1.722 -0.694 1.00 0.00 C ATOM 1718 C VAL A 109 16.738 0.864 -0.869 1.00 0.00 C ATOM 1719 O VAL A 109 17.581 1.147 -1.721 1.00 0.00 O ATOM 1720 CB VAL A 109 15.591 2.559 0.583 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.941 3.274 0.636 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.470 3.600 0.583 1.00 0.00 C ATOM 0 H VAL A 109 13.783 0.945 0.235 1.00 0.00 H new ATOM 0 HA VAL A 109 15.422 2.391 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 109 15.497 1.907 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.003 3.868 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.744 2.537 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 109 17.041 3.928 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.532 4.201 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.574 4.246 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.505 3.095 0.547 1.00 0.00 H new ATOM 1732 N GLN A 110 16.846 -0.195 -0.074 1.00 0.00 N ATOM 1733 CA GLN A 110 17.994 -1.082 -0.185 1.00 0.00 C ATOM 1734 C GLN A 110 17.983 -1.736 -1.558 1.00 0.00 C ATOM 1735 O GLN A 110 18.970 -1.695 -2.292 1.00 0.00 O ATOM 1736 CB GLN A 110 17.945 -2.167 0.907 1.00 0.00 C ATOM 1737 CG GLN A 110 17.286 -1.618 2.194 1.00 0.00 C ATOM 1738 CD GLN A 110 17.962 -2.190 3.441 1.00 0.00 C ATOM 1739 OE1 GLN A 110 19.176 -2.075 3.599 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.239 -2.797 4.344 1.00 0.00 N ATOM 0 H GLN A 110 16.166 -0.456 0.640 1.00 0.00 H new ATOM 0 HA GLN A 110 18.908 -0.503 -0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.385 -3.029 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.955 -2.513 1.129 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.353 -0.530 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.226 -1.872 2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.232 -2.892 4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.681 -3.176 5.181 1.00 0.00 H new ATOM 1749 N LYS A 111 16.850 -2.341 -1.891 1.00 0.00 N ATOM 1750 CA LYS A 111 16.701 -3.006 -3.179 1.00 0.00 C ATOM 1751 C LYS A 111 17.045 -2.042 -4.314 1.00 0.00 C ATOM 1752 O LYS A 111 17.436 -2.464 -5.400 1.00 0.00 O ATOM 1753 CB LYS A 111 15.259 -3.523 -3.351 1.00 0.00 C ATOM 1754 CG LYS A 111 15.041 -4.817 -2.539 1.00 0.00 C ATOM 1755 CD LYS A 111 15.490 -6.037 -3.362 1.00 0.00 C ATOM 1756 CE LYS A 111 15.238 -7.322 -2.564 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.718 -8.498 -3.344 1.00 0.00 N ATOM 0 H LYS A 111 16.026 -2.385 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 111 17.386 -3.853 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.553 -2.760 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.059 -3.712 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.604 -4.770 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.989 -4.916 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.946 -6.071 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.549 -5.952 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.754 -7.274 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.175 -7.425 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.546 -9.368 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.206 -8.547 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.737 -8.400 -3.528 1.00 0.00 H new ATOM 1771 N GLY A 112 16.881 -0.745 -4.057 1.00 0.00 N ATOM 1772 CA GLY A 112 17.163 0.272 -5.071 1.00 0.00 C ATOM 1773 C GLY A 112 15.978 0.391 -6.014 1.00 0.00 C ATOM 1774 O GLY A 112 16.091 0.897 -7.133 1.00 0.00 O ATOM 0 H GLY A 112 16.557 -0.375 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.359 1.232 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.060 0.005 -5.629 1.00 0.00 H new ATOM 1778 N LEU A 113 14.837 -0.074 -5.524 1.00 0.00 N ATOM 1779 CA LEU A 113 13.588 -0.029 -6.272 1.00 0.00 C ATOM 1780 C LEU A 113 13.049 1.401 -6.359 1.00 0.00 C ATOM 1781 O LEU A 113 12.615 1.849 -7.419 1.00 0.00 O ATOM 1782 CB LEU A 113 12.570 -0.928 -5.560 1.00 0.00 C ATOM 1783 CG LEU A 113 12.767 -2.399 -5.971 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.080 -3.306 -4.943 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.157 -2.651 -7.367 1.00 0.00 C ATOM 0 H LEU A 113 14.751 -0.493 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 113 13.763 -0.379 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.681 -0.828 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.558 -0.608 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 113 13.834 -2.619 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.216 -4.349 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.519 -3.139 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.015 -3.076 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.303 -3.695 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.090 -2.428 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.646 -2.008 -8.099 1.00 0.00 H new ATOM 1797 N VAL A 114 13.072 2.103 -5.229 1.00 0.00 N ATOM 1798 CA VAL A 114 12.570 3.476 -5.179 1.00 0.00 C ATOM 1799 C VAL A 114 13.414 4.408 -6.055 1.00 0.00 C ATOM 1800 O VAL A 114 12.897 5.364 -6.630 1.00 0.00 O ATOM 1801 CB VAL A 114 12.515 3.960 -3.705 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.694 5.484 -3.613 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.154 3.573 -3.081 1.00 0.00 C ATOM 0 H VAL A 114 13.429 1.749 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 114 11.558 3.498 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 114 13.329 3.480 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.651 5.793 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.660 5.763 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.898 5.978 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.118 3.914 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.348 4.042 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.035 2.490 -3.110 1.00 0.00 H new ATOM 1813 N LYS A 115 14.702 4.122 -6.153 1.00 0.00 N ATOM 1814 CA LYS A 115 15.609 4.941 -6.967 1.00 0.00 C ATOM 1815 C LYS A 115 15.710 4.366 -8.382 1.00 0.00 C ATOM 1816 O LYS A 115 16.792 3.993 -8.838 1.00 0.00 O ATOM 1817 CB LYS A 115 16.998 4.981 -6.317 1.00 0.00 C ATOM 1818 CG LYS A 115 16.924 5.754 -4.992 1.00 0.00 C ATOM 1819 CD LYS A 115 18.304 5.768 -4.314 1.00 0.00 C ATOM 1820 CE LYS A 115 18.226 6.497 -2.966 1.00 0.00 C ATOM 1821 NZ LYS A 115 19.568 6.487 -2.312 1.00 0.00 N ATOM 0 H LYS A 115 15.149 3.334 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 115 15.214 5.955 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.357 3.967 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.712 5.458 -6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.589 6.775 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.190 5.292 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.653 4.747 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 115 19.030 6.261 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.891 7.523 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.493 6.013 -2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.513 6.982 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.871 5.504 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.257 6.968 -2.925 1.00 0.00 H new ATOM 1835 N THR A 116 14.568 4.294 -9.066 1.00 0.00 N ATOM 1836 CA THR A 116 14.524 3.757 -10.428 1.00 0.00 C ATOM 1837 C THR A 116 14.875 4.821 -11.455 1.00 0.00 C ATOM 1838 O THR A 116 15.692 4.596 -12.349 1.00 0.00 O ATOM 1839 CB THR A 116 13.128 3.207 -10.727 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.825 2.167 -9.809 1.00 0.00 O ATOM 1841 CG2 THR A 116 13.085 2.656 -12.153 1.00 0.00 C ATOM 0 H THR A 116 13.665 4.599 -8.703 1.00 0.00 H new ATOM 0 HA THR A 116 15.261 2.957 -10.494 1.00 0.00 H new ATOM 0 HB THR A 116 12.395 4.008 -10.628 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.798 2.531 -8.900 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.089 2.265 -12.362 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.317 3.454 -12.858 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.818 1.856 -12.256 1.00 0.00 H new ATOM 1849 N LYS A 117 14.245 5.977 -11.329 1.00 0.00 N ATOM 1850 CA LYS A 117 14.478 7.085 -12.260 1.00 0.00 C ATOM 1851 C LYS A 117 14.496 8.428 -11.533 1.00 0.00 C ATOM 1852 O LYS A 117 13.555 8.770 -10.815 1.00 0.00 O ATOM 1853 CB LYS A 117 13.381 7.101 -13.329 1.00 0.00 C ATOM 1854 CG LYS A 117 12.016 6.879 -12.673 1.00 0.00 C ATOM 1855 CD LYS A 117 10.919 6.991 -13.732 1.00 0.00 C ATOM 1856 CE LYS A 117 9.558 6.734 -13.083 1.00 0.00 C ATOM 1857 NZ LYS A 117 8.485 6.875 -14.109 1.00 0.00 N ATOM 0 H LYS A 117 13.567 6.179 -10.594 1.00 0.00 H new ATOM 0 HA LYS A 117 15.452 6.934 -12.726 1.00 0.00 H new ATOM 0 HB2 LYS A 117 13.390 8.054 -13.858 1.00 0.00 H new ATOM 0 HB3 LYS A 117 13.570 6.323 -14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.982 5.897 -12.201 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.854 7.616 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.936 7.982 -14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.095 6.271 -14.531 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.533 5.734 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 117 9.392 7.439 -12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.559 6.701 -13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 8.505 7.837 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 8.641 6.186 -14.872 1.00 0.00 H new ATOM 1871 N LYS A 118 15.557 9.200 -11.737 1.00 0.00 N ATOM 1872 CA LYS A 118 15.667 10.511 -11.104 1.00 0.00 C ATOM 1873 C LYS A 118 14.711 11.497 -11.780 1.00 0.00 C ATOM 1874 O LYS A 118 14.254 11.264 -12.898 1.00 0.00 O ATOM 1875 CB LYS A 118 17.114 11.022 -11.201 1.00 0.00 C ATOM 1876 CG LYS A 118 17.739 10.598 -12.550 1.00 0.00 C ATOM 1877 CD LYS A 118 18.463 9.248 -12.389 1.00 0.00 C ATOM 1878 CE LYS A 118 19.887 9.474 -11.870 1.00 0.00 C ATOM 1879 NZ LYS A 118 20.425 8.194 -11.330 1.00 0.00 N ATOM 0 H LYS A 118 16.347 8.945 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 118 15.397 10.423 -10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 118 17.131 12.108 -11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 118 17.705 10.623 -10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 118 16.963 10.516 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 118 18.441 11.359 -12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 118 17.912 8.611 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 118 18.495 8.727 -13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 118 20.526 9.839 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 118 19.886 10.238 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 21.392 8.345 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 19.820 7.864 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 20.440 7.478 -12.084 1.00 0.00 H new ATOM 1893 N LYS A 119 14.407 12.592 -11.090 1.00 0.00 N ATOM 1894 CA LYS A 119 13.496 13.595 -11.633 1.00 0.00 C ATOM 1895 C LYS A 119 13.976 14.065 -13.003 1.00 0.00 C ATOM 1896 O LYS A 119 15.083 13.708 -13.373 1.00 0.00 O ATOM 1897 CB LYS A 119 13.404 14.792 -10.683 1.00 0.00 C ATOM 1898 CG LYS A 119 12.744 14.368 -9.368 1.00 0.00 C ATOM 1899 CD LYS A 119 12.703 15.566 -8.416 1.00 0.00 C ATOM 1900 CE LYS A 119 11.930 15.193 -7.148 1.00 0.00 C ATOM 1901 NZ LYS A 119 12.642 14.095 -6.436 1.00 0.00 N ATOM 1902 OXT LYS A 119 13.233 14.776 -13.659 1.00 0.00 O ATOM 0 H LYS A 119 14.774 12.807 -10.163 1.00 0.00 H new ATOM 0 HA LYS A 119 12.510 13.143 -11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.400 15.189 -10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 119 12.827 15.592 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.734 14.002 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.301 13.548 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.717 15.872 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.228 16.416 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.837 16.062 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 119 10.919 14.878 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.262 14.002 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.505 13.201 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.658 14.314 -6.388 1.00 0.00 H new TER 1916 LYS A 119