USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 984 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: B 41 TYR OH : rot -97:sc= 1.41 USER MOD Set 1.2: B 74 HIS : no HE2:sc= 2.16 K(o=3.6,f=-11!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -147:sc= 0.635 (180deg=0) USER MOD Set 2.2: A 61 GLN : amide:sc= 0.429 K(o=1.1,f=-3) USER MOD Set 3.1: A 24 MET CE :methyl -123:sc= -0.878 (180deg=-2.48) USER MOD Set 3.2: A 27 TYR OH : rot 171:sc= 1.29 USER MOD Set 3.3: A 60 HIS : no HD1:sc= -3.53! C(o=-3.1!,f=-11!) USER MOD Single : A 14 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 16 SER OG : rot 180:sc= 0.17 USER MOD Single : A 21 SER OG : rot -87:sc= 1.11 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 1.32 (180deg=0.825!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 26 GLN : amide:sc= 0.948 K(o=0.95,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 32 MET CE :methyl 166:sc= 0 (180deg=-0.0879) USER MOD Single : A 36 TYR OH : rot -126:sc= 0.952 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.097 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= 1.01 (180deg=0.548) USER MOD Single : A 44 GLN : amide:sc= 0.169 K(o=0.17,f=-0.84) USER MOD Single : A 45 MET CE :methyl 142:sc= -0.65 (180deg=-1.09) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.514 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 2.46 (180deg=2.34) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 120:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 1.84 (180deg=1.84) USER MOD Single : A 74 GLN : amide:sc= -0.473 K(o=-0.47,f=-3.6!) USER MOD Single : A 76 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0026) USER MOD Single : A 77 THR OG1 : rot 65:sc= 0.837 USER MOD Single : B 29 MET CE :methyl -122:sc= -0.589 (180deg=-2.37) USER MOD Single : B 30 SER OG : rot -21:sc= 1.12 USER MOD Single : B 47 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-3!) USER MOD Single : B 48 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.2!) USER MOD Single : B 57 SER OG : rot -121:sc= 0.474 USER MOD Single : B 60 THR OG1 : rot -121:sc= 1.52 USER MOD Single : B 70 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : B 75 LYS NZ :NH3+ -124:sc= 0.127 (180deg=-0.0418) USER MOD Single : B 81 THR OG1 : rot -29:sc= -3.49! USER MOD Single : B 83 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 85 SER OG : rot 180:sc= 0 USER MOD Single : B 86 LYS NZ :NH3+ -162:sc= -0.0388 (180deg=-0.295) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -14.207 -7.379 7.461 1.00 0.00 N ATOM 2 CA THR A 14 -14.710 -5.991 7.566 1.00 0.00 C ATOM 3 C THR A 14 -13.762 -5.005 6.892 1.00 0.00 C ATOM 4 O THR A 14 -12.554 -5.233 6.825 1.00 0.00 O ATOM 5 CB THR A 14 -14.897 -5.571 9.036 1.00 0.00 C ATOM 6 OG1 THR A 14 -15.187 -6.720 9.837 1.00 0.00 O ATOM 7 CG2 THR A 14 -16.024 -4.554 9.172 1.00 0.00 C ATOM 0 HA THR A 14 -15.675 -5.970 7.059 1.00 0.00 H new ATOM 0 HB THR A 14 -13.971 -5.110 9.380 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.355 -7.197 10.039 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.136 -4.273 10.219 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.788 -3.668 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.955 -4.992 8.812 1.00 0.00 H new ATOM 15 N VAL A 15 -14.345 -3.923 6.376 1.00 0.00 N ATOM 16 CA VAL A 15 -13.603 -2.850 5.706 1.00 0.00 C ATOM 17 C VAL A 15 -12.404 -2.383 6.532 1.00 0.00 C ATOM 18 O VAL A 15 -11.355 -2.061 5.986 1.00 0.00 O ATOM 19 CB VAL A 15 -14.515 -1.629 5.438 1.00 0.00 C ATOM 20 CG1 VAL A 15 -13.969 -0.781 4.302 1.00 0.00 C ATOM 21 CG2 VAL A 15 -15.940 -2.063 5.136 1.00 0.00 C ATOM 0 H VAL A 15 -15.352 -3.763 6.410 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.247 -3.265 4.763 1.00 0.00 H new ATOM 0 HB VAL A 15 -14.528 -1.024 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.629 0.070 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -12.973 -0.423 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -13.913 -1.381 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.557 -1.183 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.946 -2.702 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.340 -2.615 5.986 1.00 0.00 H new ATOM 31 N SER A 16 -12.562 -2.385 7.851 1.00 0.00 N ATOM 32 CA SER A 16 -11.513 -1.947 8.753 1.00 0.00 C ATOM 33 C SER A 16 -10.266 -2.821 8.632 1.00 0.00 C ATOM 34 O SER A 16 -9.159 -2.306 8.511 1.00 0.00 O ATOM 35 CB SER A 16 -12.043 -1.966 10.186 1.00 0.00 C ATOM 36 OG SER A 16 -13.269 -2.680 10.251 1.00 0.00 O ATOM 0 H SER A 16 -13.416 -2.689 8.319 1.00 0.00 H new ATOM 0 HA SER A 16 -11.223 -0.932 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.309 -2.430 10.846 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.190 -0.946 10.540 1.00 0.00 H new ATOM 0 HG SER A 16 -13.596 -2.685 11.175 1.00 0.00 H new ATOM 42 N GLU A 17 -10.462 -4.140 8.649 1.00 0.00 N ATOM 43 CA GLU A 17 -9.354 -5.090 8.555 1.00 0.00 C ATOM 44 C GLU A 17 -8.603 -4.933 7.239 1.00 0.00 C ATOM 45 O GLU A 17 -7.379 -5.030 7.197 1.00 0.00 O ATOM 46 CB GLU A 17 -9.861 -6.525 8.676 1.00 0.00 C ATOM 47 CG GLU A 17 -10.518 -6.849 10.007 1.00 0.00 C ATOM 48 CD GLU A 17 -11.880 -7.482 9.829 1.00 0.00 C ATOM 49 OE1 GLU A 17 -12.095 -8.169 8.808 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.752 -7.273 10.688 1.00 0.00 O ATOM 0 H GLU A 17 -11.381 -4.575 8.727 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.672 -4.876 9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.577 -6.713 7.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.025 -7.207 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.876 -7.524 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.617 -5.936 10.594 1.00 0.00 H new ATOM 57 N TRP A 18 -9.341 -4.688 6.168 1.00 0.00 N ATOM 58 CA TRP A 18 -8.740 -4.514 4.855 1.00 0.00 C ATOM 59 C TRP A 18 -7.920 -3.226 4.824 1.00 0.00 C ATOM 60 O TRP A 18 -6.734 -3.234 4.508 1.00 0.00 O ATOM 61 CB TRP A 18 -9.834 -4.493 3.782 1.00 0.00 C ATOM 62 CG TRP A 18 -9.411 -3.872 2.487 1.00 0.00 C ATOM 63 CD1 TRP A 18 -8.463 -4.338 1.627 1.00 0.00 C ATOM 64 CD2 TRP A 18 -9.931 -2.670 1.900 1.00 0.00 C ATOM 65 NE1 TRP A 18 -8.359 -3.501 0.544 1.00 0.00 N ATOM 66 CE2 TRP A 18 -9.248 -2.473 0.686 1.00 0.00 C ATOM 67 CE3 TRP A 18 -10.903 -1.742 2.281 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -9.509 -1.390 -0.151 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.161 -0.667 1.451 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.466 -0.499 0.247 1.00 0.00 C ATOM 0 H TRP A 18 -10.358 -4.605 6.182 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.071 -5.350 4.648 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.161 -5.515 3.592 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -10.696 -3.949 4.168 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.879 -5.234 1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.720 -3.626 -0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.444 -1.862 3.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -8.975 -1.259 -1.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.911 0.056 1.736 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.691 0.352 -0.380 1.00 0.00 H new ATOM 81 N LEU A 19 -8.572 -2.133 5.184 1.00 0.00 N ATOM 82 CA LEU A 19 -7.940 -0.819 5.208 1.00 0.00 C ATOM 83 C LEU A 19 -6.724 -0.777 6.137 1.00 0.00 C ATOM 84 O LEU A 19 -5.764 -0.068 5.857 1.00 0.00 O ATOM 85 CB LEU A 19 -8.954 0.250 5.613 1.00 0.00 C ATOM 86 CG LEU A 19 -9.822 0.766 4.466 1.00 0.00 C ATOM 87 CD1 LEU A 19 -11.097 1.383 5.001 1.00 0.00 C ATOM 88 CD2 LEU A 19 -9.052 1.769 3.619 1.00 0.00 C ATOM 0 H LEU A 19 -9.552 -2.128 5.468 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.583 -0.614 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.603 -0.158 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.420 1.091 6.055 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.091 -0.079 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.703 1.745 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.658 0.633 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.850 2.216 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.688 2.124 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.750 2.613 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.166 1.289 3.202 1.00 0.00 H new ATOM 100 N GLU A 20 -6.742 -1.540 7.223 1.00 0.00 N ATOM 101 CA GLU A 20 -5.612 -1.534 8.154 1.00 0.00 C ATOM 102 C GLU A 20 -4.493 -2.484 7.717 1.00 0.00 C ATOM 103 O GLU A 20 -3.317 -2.190 7.936 1.00 0.00 O ATOM 104 CB GLU A 20 -6.063 -1.853 9.587 1.00 0.00 C ATOM 105 CG GLU A 20 -6.578 -3.270 9.783 1.00 0.00 C ATOM 106 CD GLU A 20 -5.751 -4.061 10.776 1.00 0.00 C ATOM 107 OE1 GLU A 20 -5.936 -3.861 11.996 1.00 0.00 O ATOM 108 OE2 GLU A 20 -4.925 -4.890 10.340 1.00 0.00 O ATOM 0 H GLU A 20 -7.509 -2.161 7.481 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.205 -0.523 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.225 -1.687 10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.847 -1.152 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.612 -3.232 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.579 -3.788 8.824 1.00 0.00 H new ATOM 115 N SER A 21 -4.841 -3.606 7.086 1.00 0.00 N ATOM 116 CA SER A 21 -3.831 -4.568 6.646 1.00 0.00 C ATOM 117 C SER A 21 -2.964 -3.983 5.530 1.00 0.00 C ATOM 118 O SER A 21 -1.777 -4.294 5.425 1.00 0.00 O ATOM 119 CB SER A 21 -4.476 -5.881 6.184 1.00 0.00 C ATOM 120 OG SER A 21 -5.563 -5.652 5.304 1.00 0.00 O ATOM 0 H SER A 21 -5.803 -3.869 6.870 1.00 0.00 H new ATOM 0 HA SER A 21 -3.193 -4.784 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.728 -6.498 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.823 -6.441 7.052 1.00 0.00 H new ATOM 0 HG SER A 21 -6.385 -5.529 5.824 1.00 0.00 H new ATOM 126 N ILE A 22 -3.564 -3.146 4.697 1.00 0.00 N ATOM 127 CA ILE A 22 -2.835 -2.504 3.604 1.00 0.00 C ATOM 128 C ILE A 22 -2.220 -1.179 4.051 1.00 0.00 C ATOM 129 O ILE A 22 -1.732 -0.405 3.231 1.00 0.00 O ATOM 130 CB ILE A 22 -3.731 -2.282 2.369 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.008 -1.525 2.745 1.00 0.00 C ATOM 132 CG2 ILE A 22 -4.064 -3.621 1.732 1.00 0.00 C ATOM 133 CD1 ILE A 22 -5.897 -1.206 1.558 1.00 0.00 C ATOM 0 H ILE A 22 -4.551 -2.893 4.753 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.031 -3.183 3.320 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.188 -1.672 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.574 -2.118 3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.735 -0.595 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.697 -3.461 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.143 -4.117 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.591 -4.246 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.782 -0.670 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.349 -0.586 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.200 -2.133 1.071 1.00 0.00 H new ATOM 145 N LYS A 23 -2.282 -0.926 5.361 1.00 0.00 N ATOM 146 CA LYS A 23 -1.716 0.281 5.969 1.00 0.00 C ATOM 147 C LYS A 23 -2.412 1.554 5.482 1.00 0.00 C ATOM 148 O LYS A 23 -1.811 2.626 5.458 1.00 0.00 O ATOM 149 CB LYS A 23 -0.211 0.370 5.691 1.00 0.00 C ATOM 150 CG LYS A 23 0.662 0.290 6.937 1.00 0.00 C ATOM 151 CD LYS A 23 0.638 1.592 7.734 1.00 0.00 C ATOM 152 CE LYS A 23 1.359 2.722 7.002 1.00 0.00 C ATOM 153 NZ LYS A 23 1.732 3.841 7.915 1.00 0.00 N ATOM 0 H LYS A 23 -2.727 -1.553 6.031 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.881 0.203 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.070 -0.436 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.003 1.308 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.318 -0.529 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.687 0.060 6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.395 1.883 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.106 1.432 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.258 2.329 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.719 3.103 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.126 4.626 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.887 4.168 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.443 3.510 8.598 1.00 0.00 H new ATOM 167 N MET A 24 -3.684 1.439 5.128 1.00 0.00 N ATOM 168 CA MET A 24 -4.474 2.576 4.656 1.00 0.00 C ATOM 169 C MET A 24 -5.396 3.045 5.779 1.00 0.00 C ATOM 170 O MET A 24 -6.420 3.682 5.537 1.00 0.00 O ATOM 171 CB MET A 24 -5.320 2.165 3.448 1.00 0.00 C ATOM 172 CG MET A 24 -4.518 1.872 2.190 1.00 0.00 C ATOM 173 SD MET A 24 -3.626 3.298 1.552 1.00 0.00 S ATOM 174 CE MET A 24 -1.988 2.962 2.190 1.00 0.00 C ATOM 0 H MET A 24 -4.200 0.559 5.158 1.00 0.00 H new ATOM 0 HA MET A 24 -3.801 3.382 4.362 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.899 1.279 3.710 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.034 2.960 3.232 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.806 1.074 2.401 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.192 1.501 1.418 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.655 3.803 2.799 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.013 2.059 2.801 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.296 2.819 1.360 1.00 0.00 H new ATOM 184 N GLN A 25 -5.013 2.686 7.004 1.00 0.00 N ATOM 185 CA GLN A 25 -5.749 3.004 8.240 1.00 0.00 C ATOM 186 C GLN A 25 -6.480 4.349 8.208 1.00 0.00 C ATOM 187 O GLN A 25 -7.698 4.404 8.423 1.00 0.00 O ATOM 188 CB GLN A 25 -4.781 2.975 9.423 1.00 0.00 C ATOM 189 CG GLN A 25 -4.192 1.603 9.685 1.00 0.00 C ATOM 190 CD GLN A 25 -3.047 1.659 10.663 1.00 0.00 C ATOM 191 OE1 GLN A 25 -1.892 1.839 10.275 1.00 0.00 O ATOM 192 NE2 GLN A 25 -3.354 1.512 11.938 1.00 0.00 N ATOM 0 H GLN A 25 -4.161 2.152 7.175 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.523 2.244 8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.971 3.681 9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.302 3.316 10.318 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.968 0.943 10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.846 1.171 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.325 1.365 12.215 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.621 1.546 12.646 1.00 0.00 H new ATOM 201 N GLN A 26 -5.733 5.431 7.989 1.00 0.00 N ATOM 202 CA GLN A 26 -6.280 6.792 7.934 1.00 0.00 C ATOM 203 C GLN A 26 -7.352 7.012 6.853 1.00 0.00 C ATOM 204 O GLN A 26 -8.027 8.046 6.861 1.00 0.00 O ATOM 205 CB GLN A 26 -5.130 7.788 7.720 1.00 0.00 C ATOM 206 CG GLN A 26 -4.407 7.658 6.378 1.00 0.00 C ATOM 207 CD GLN A 26 -3.202 6.728 6.435 1.00 0.00 C ATOM 208 OE1 GLN A 26 -3.175 5.757 7.191 1.00 0.00 O ATOM 209 NE2 GLN A 26 -2.188 7.029 5.637 1.00 0.00 N ATOM 0 H GLN A 26 -4.724 5.390 7.843 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.783 6.953 8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.525 8.800 7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.403 7.659 8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.108 7.289 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.081 8.645 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.246 7.842 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.350 6.448 5.636 1.00 0.00 H new ATOM 218 N TYR A 27 -7.519 6.088 5.923 1.00 0.00 N ATOM 219 CA TYR A 27 -8.519 6.271 4.879 1.00 0.00 C ATOM 220 C TYR A 27 -9.908 5.862 5.345 1.00 0.00 C ATOM 221 O TYR A 27 -10.897 6.436 4.899 1.00 0.00 O ATOM 222 CB TYR A 27 -8.132 5.517 3.615 1.00 0.00 C ATOM 223 CG TYR A 27 -7.139 6.274 2.768 1.00 0.00 C ATOM 224 CD1 TYR A 27 -7.360 7.604 2.429 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.984 5.669 2.309 1.00 0.00 C ATOM 226 CE1 TYR A 27 -6.454 8.302 1.662 1.00 0.00 C ATOM 227 CE2 TYR A 27 -5.074 6.359 1.540 1.00 0.00 C ATOM 228 CZ TYR A 27 -5.314 7.677 1.218 1.00 0.00 C ATOM 229 OH TYR A 27 -4.404 8.365 0.451 1.00 0.00 O ATOM 0 H TYR A 27 -6.988 5.219 5.866 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.552 7.336 4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.708 4.551 3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.028 5.317 3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.257 8.098 2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.792 4.636 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.639 9.336 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.177 5.870 1.191 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.593 7.825 0.342 1.00 0.00 H new ATOM 239 N THR A 28 -9.972 4.852 6.210 1.00 0.00 N ATOM 240 CA THR A 28 -11.234 4.367 6.782 1.00 0.00 C ATOM 241 C THR A 28 -12.184 5.512 7.154 1.00 0.00 C ATOM 242 O THR A 28 -13.398 5.430 6.950 1.00 0.00 O ATOM 243 CB THR A 28 -10.930 3.529 8.041 1.00 0.00 C ATOM 244 OG1 THR A 28 -9.741 2.755 7.829 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.083 2.599 8.396 1.00 0.00 C ATOM 0 H THR A 28 -9.151 4.343 6.537 1.00 0.00 H new ATOM 0 HA THR A 28 -11.730 3.762 6.023 1.00 0.00 H new ATOM 0 HB THR A 28 -10.788 4.219 8.872 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.964 3.251 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.828 2.027 9.288 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.980 3.188 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.267 1.915 7.567 1.00 0.00 H new ATOM 253 N GLU A 29 -11.597 6.575 7.676 1.00 0.00 N ATOM 254 CA GLU A 29 -12.339 7.755 8.083 1.00 0.00 C ATOM 255 C GLU A 29 -13.108 8.349 6.909 1.00 0.00 C ATOM 256 O GLU A 29 -14.322 8.558 6.983 1.00 0.00 O ATOM 257 CB GLU A 29 -11.373 8.788 8.658 1.00 0.00 C ATOM 258 CG GLU A 29 -10.475 8.216 9.745 1.00 0.00 C ATOM 259 CD GLU A 29 -9.191 8.991 9.926 1.00 0.00 C ATOM 260 OE1 GLU A 29 -9.183 10.209 9.662 1.00 0.00 O ATOM 261 OE2 GLU A 29 -8.181 8.385 10.352 1.00 0.00 O ATOM 0 H GLU A 29 -10.591 6.644 7.830 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.062 7.468 8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.754 9.186 7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.942 9.623 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.020 8.204 10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.236 7.181 9.502 1.00 0.00 H new ATOM 268 N HIS A 30 -12.399 8.596 5.819 1.00 0.00 N ATOM 269 CA HIS A 30 -13.005 9.181 4.622 1.00 0.00 C ATOM 270 C HIS A 30 -13.896 8.177 3.908 1.00 0.00 C ATOM 271 O HIS A 30 -14.941 8.536 3.367 1.00 0.00 O ATOM 272 CB HIS A 30 -11.929 9.680 3.654 1.00 0.00 C ATOM 273 CG HIS A 30 -10.968 10.665 4.263 1.00 0.00 C ATOM 274 ND1 HIS A 30 -9.720 10.318 4.740 1.00 0.00 N ATOM 275 CD2 HIS A 30 -11.089 12.001 4.464 1.00 0.00 C ATOM 276 CE1 HIS A 30 -9.137 11.425 5.210 1.00 0.00 C ATOM 277 NE2 HIS A 30 -9.926 12.476 5.065 1.00 0.00 N ATOM 0 H HIS A 30 -11.401 8.402 5.733 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.614 10.024 4.948 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.367 8.825 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -12.414 10.144 2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.948 12.600 4.201 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.151 11.457 5.650 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.724 13.438 5.338 1.00 0.00 H new ATOM 285 N PHE A 31 -13.475 6.913 3.919 1.00 0.00 N ATOM 286 CA PHE A 31 -14.216 5.838 3.268 1.00 0.00 C ATOM 287 C PHE A 31 -15.635 5.766 3.797 1.00 0.00 C ATOM 288 O PHE A 31 -16.594 5.958 3.050 1.00 0.00 O ATOM 289 CB PHE A 31 -13.518 4.502 3.494 1.00 0.00 C ATOM 290 CG PHE A 31 -12.791 4.002 2.283 1.00 0.00 C ATOM 291 CD1 PHE A 31 -13.481 3.406 1.242 1.00 0.00 C ATOM 292 CD2 PHE A 31 -11.416 4.130 2.184 1.00 0.00 C ATOM 293 CE1 PHE A 31 -12.815 2.948 0.120 1.00 0.00 C ATOM 294 CE2 PHE A 31 -10.742 3.676 1.067 1.00 0.00 C ATOM 295 CZ PHE A 31 -11.443 3.082 0.033 1.00 0.00 C ATOM 0 H PHE A 31 -12.616 6.608 4.377 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.250 6.050 2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.811 4.604 4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.257 3.760 3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -14.554 3.297 1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.864 4.590 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.366 2.487 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.670 3.785 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.919 2.724 -0.841 1.00 0.00 H new ATOM 305 N MET A 32 -15.758 5.484 5.091 1.00 0.00 N ATOM 306 CA MET A 32 -17.061 5.390 5.743 1.00 0.00 C ATOM 307 C MET A 32 -17.869 6.677 5.584 1.00 0.00 C ATOM 308 O MET A 32 -19.094 6.635 5.462 1.00 0.00 O ATOM 309 CB MET A 32 -16.883 5.055 7.228 1.00 0.00 C ATOM 310 CG MET A 32 -16.265 3.685 7.466 1.00 0.00 C ATOM 311 SD MET A 32 -16.412 3.125 9.175 1.00 0.00 S ATOM 312 CE MET A 32 -15.678 1.495 9.050 1.00 0.00 C ATOM 0 H MET A 32 -14.966 5.316 5.712 1.00 0.00 H new ATOM 0 HA MET A 32 -17.619 4.590 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.254 5.815 7.692 1.00 0.00 H new ATOM 0 HB3 MET A 32 -17.854 5.099 7.722 1.00 0.00 H new ATOM 0 HG2 MET A 32 -16.745 2.958 6.810 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.211 3.716 7.190 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.464 1.115 10.049 1.00 0.00 H new ATOM 0 HE2 MET A 32 -16.371 0.822 8.546 1.00 0.00 H new ATOM 0 HE3 MET A 32 -14.751 1.556 8.479 1.00 0.00 H new ATOM 322 N ALA A 33 -17.183 7.820 5.566 1.00 0.00 N ATOM 323 CA ALA A 33 -17.847 9.110 5.420 1.00 0.00 C ATOM 324 C ALA A 33 -18.449 9.271 4.030 1.00 0.00 C ATOM 325 O ALA A 33 -19.441 9.977 3.853 1.00 0.00 O ATOM 326 CB ALA A 33 -16.863 10.239 5.687 1.00 0.00 C ATOM 0 H ALA A 33 -16.168 7.876 5.651 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.656 9.152 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.370 11.197 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.474 10.150 6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.039 10.179 4.976 1.00 0.00 H new ATOM 332 N ALA A 34 -17.853 8.600 3.053 1.00 0.00 N ATOM 333 CA ALA A 34 -18.315 8.680 1.676 1.00 0.00 C ATOM 334 C ALA A 34 -19.402 7.646 1.375 1.00 0.00 C ATOM 335 O ALA A 34 -19.711 7.387 0.211 1.00 0.00 O ATOM 336 CB ALA A 34 -17.141 8.514 0.725 1.00 0.00 C ATOM 0 H ALA A 34 -17.045 7.992 3.191 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.760 9.664 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.495 8.575 -0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.412 9.304 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.673 7.544 0.891 1.00 0.00 H new ATOM 342 N GLY A 35 -19.982 7.064 2.421 1.00 0.00 N ATOM 343 CA GLY A 35 -21.038 6.085 2.237 1.00 0.00 C ATOM 344 C GLY A 35 -20.548 4.661 2.054 1.00 0.00 C ATOM 345 O GLY A 35 -21.339 3.718 2.134 1.00 0.00 O ATOM 0 H GLY A 35 -19.739 7.253 3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.703 6.119 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.631 6.367 1.367 1.00 0.00 H new ATOM 349 N TYR A 36 -19.256 4.477 1.826 1.00 0.00 N ATOM 350 CA TYR A 36 -18.708 3.143 1.622 1.00 0.00 C ATOM 351 C TYR A 36 -18.310 2.517 2.957 1.00 0.00 C ATOM 352 O TYR A 36 -17.150 2.185 3.196 1.00 0.00 O ATOM 353 CB TYR A 36 -17.528 3.212 0.648 1.00 0.00 C ATOM 354 CG TYR A 36 -17.896 3.887 -0.658 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.822 3.310 -1.520 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.337 5.107 -1.019 1.00 0.00 C ATOM 357 CE1 TYR A 36 -19.181 3.929 -2.702 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.690 5.730 -2.204 1.00 0.00 C ATOM 359 CZ TYR A 36 -18.613 5.136 -3.041 1.00 0.00 C ATOM 360 OH TYR A 36 -18.978 5.755 -4.217 1.00 0.00 O ATOM 0 H TYR A 36 -18.570 5.230 1.778 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.471 2.501 1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.706 3.754 1.115 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.169 2.203 0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -19.268 2.361 -1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.616 5.576 -0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -19.905 3.467 -3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -17.245 6.677 -2.472 1.00 0.00 H new ATOM 0 HH TYR A 36 -18.177 5.946 -4.748 1.00 0.00 H new ATOM 370 N THR A 37 -19.305 2.379 3.824 1.00 0.00 N ATOM 371 CA THR A 37 -19.126 1.811 5.152 1.00 0.00 C ATOM 372 C THR A 37 -19.111 0.282 5.130 1.00 0.00 C ATOM 373 O THR A 37 -18.546 -0.355 6.021 1.00 0.00 O ATOM 374 CB THR A 37 -20.265 2.283 6.071 1.00 0.00 C ATOM 375 OG1 THR A 37 -20.971 3.363 5.441 1.00 0.00 O ATOM 376 CG2 THR A 37 -19.735 2.736 7.422 1.00 0.00 C ATOM 0 H THR A 37 -20.265 2.660 3.623 1.00 0.00 H new ATOM 0 HA THR A 37 -18.160 2.153 5.524 1.00 0.00 H new ATOM 0 HB THR A 37 -20.940 1.444 6.238 1.00 0.00 H new ATOM 0 HG1 THR A 37 -21.698 3.663 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.565 3.063 8.047 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.220 1.907 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 37 -19.039 3.563 7.281 1.00 0.00 H new ATOM 384 N ALA A 38 -19.747 -0.301 4.123 1.00 0.00 N ATOM 385 CA ALA A 38 -19.813 -1.754 4.008 1.00 0.00 C ATOM 386 C ALA A 38 -19.157 -2.263 2.727 1.00 0.00 C ATOM 387 O ALA A 38 -19.210 -1.606 1.684 1.00 0.00 O ATOM 388 CB ALA A 38 -21.254 -2.220 4.101 1.00 0.00 C ATOM 0 H ALA A 38 -20.223 0.206 3.377 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.248 -2.177 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.292 -3.306 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.673 -1.918 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.834 -1.771 3.295 1.00 0.00 H new ATOM 394 N ILE A 39 -18.527 -3.436 2.842 1.00 0.00 N ATOM 395 CA ILE A 39 -17.820 -4.100 1.736 1.00 0.00 C ATOM 396 C ILE A 39 -18.586 -4.069 0.412 1.00 0.00 C ATOM 397 O ILE A 39 -18.022 -3.684 -0.612 1.00 0.00 O ATOM 398 CB ILE A 39 -17.486 -5.571 2.088 1.00 0.00 C ATOM 399 CG1 ILE A 39 -16.500 -5.636 3.260 1.00 0.00 C ATOM 400 CG2 ILE A 39 -16.920 -6.310 0.878 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.143 -5.025 2.959 1.00 0.00 C ATOM 0 H ILE A 39 -18.492 -3.960 3.716 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.903 -3.527 1.600 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.413 -6.062 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -16.936 -5.123 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.362 -6.678 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.694 -7.340 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.653 -6.302 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.008 -5.816 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.503 -5.110 3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.684 -5.552 2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.267 -3.973 2.701 1.00 0.00 H new ATOM 413 N GLU A 40 -19.856 -4.478 0.427 1.00 0.00 N ATOM 414 CA GLU A 40 -20.671 -4.504 -0.795 1.00 0.00 C ATOM 415 C GLU A 40 -20.642 -3.168 -1.535 1.00 0.00 C ATOM 416 O GLU A 40 -20.743 -3.134 -2.757 1.00 0.00 O ATOM 417 CB GLU A 40 -22.127 -4.895 -0.503 1.00 0.00 C ATOM 418 CG GLU A 40 -22.359 -5.490 0.876 1.00 0.00 C ATOM 419 CD GLU A 40 -22.795 -4.447 1.880 1.00 0.00 C ATOM 420 OE1 GLU A 40 -22.712 -3.245 1.562 1.00 0.00 O ATOM 421 OE2 GLU A 40 -23.224 -4.829 2.989 1.00 0.00 O ATOM 0 H GLU A 40 -20.343 -4.795 1.266 1.00 0.00 H new ATOM 0 HA GLU A 40 -20.225 -5.264 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -22.756 -4.011 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.454 -5.614 -1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.118 -6.269 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -21.442 -5.966 1.224 1.00 0.00 H new ATOM 428 N LYS A 41 -20.523 -2.069 -0.803 1.00 0.00 N ATOM 429 CA LYS A 41 -20.468 -0.750 -1.424 1.00 0.00 C ATOM 430 C LYS A 41 -19.029 -0.389 -1.786 1.00 0.00 C ATOM 431 O LYS A 41 -18.778 0.296 -2.778 1.00 0.00 O ATOM 432 CB LYS A 41 -21.064 0.303 -0.489 1.00 0.00 C ATOM 433 CG LYS A 41 -22.528 0.062 -0.168 1.00 0.00 C ATOM 434 CD LYS A 41 -22.800 0.163 1.323 1.00 0.00 C ATOM 435 CE LYS A 41 -24.236 -0.218 1.657 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.611 -1.540 1.088 1.00 0.00 N ATOM 0 H LYS A 41 -20.463 -2.062 0.215 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.058 -0.774 -2.340 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.494 0.319 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.957 1.287 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.142 0.789 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.821 -0.925 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -22.115 -0.490 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.605 1.181 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.362 -0.241 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.912 0.546 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.284 -2.014 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.053 -1.404 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.759 -2.128 0.985 1.00 0.00 H new ATOM 450 N VAL A 42 -18.091 -0.875 -0.983 1.00 0.00 N ATOM 451 CA VAL A 42 -16.670 -0.619 -1.199 1.00 0.00 C ATOM 452 C VAL A 42 -16.194 -1.253 -2.504 1.00 0.00 C ATOM 453 O VAL A 42 -15.374 -0.687 -3.221 1.00 0.00 O ATOM 454 CB VAL A 42 -15.825 -1.163 -0.025 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.337 -0.984 -0.285 1.00 0.00 C ATOM 456 CG2 VAL A 42 -16.220 -0.485 1.275 1.00 0.00 C ATOM 0 H VAL A 42 -18.291 -1.455 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.538 0.461 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.025 -2.231 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.770 -1.377 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.059 -1.523 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.114 0.076 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.615 -0.881 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.056 0.589 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.273 -0.676 1.480 1.00 0.00 H new ATOM 466 N VAL A 43 -16.729 -2.422 -2.821 1.00 0.00 N ATOM 467 CA VAL A 43 -16.348 -3.119 -4.043 1.00 0.00 C ATOM 468 C VAL A 43 -16.988 -2.475 -5.273 1.00 0.00 C ATOM 469 O VAL A 43 -16.638 -2.801 -6.408 1.00 0.00 O ATOM 470 CB VAL A 43 -16.720 -4.616 -3.993 1.00 0.00 C ATOM 471 CG1 VAL A 43 -16.020 -5.300 -2.830 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.227 -4.803 -3.900 1.00 0.00 C ATOM 0 H VAL A 43 -17.424 -2.907 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.264 -3.036 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.383 -5.080 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.294 -6.355 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.941 -5.208 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.323 -4.829 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.460 -5.867 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.598 -4.321 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.704 -4.355 -4.772 1.00 0.00 H new ATOM 482 N GLN A 44 -17.911 -1.551 -5.049 1.00 0.00 N ATOM 483 CA GLN A 44 -18.583 -0.877 -6.147 1.00 0.00 C ATOM 484 C GLN A 44 -17.720 0.254 -6.686 1.00 0.00 C ATOM 485 O GLN A 44 -17.389 0.273 -7.872 1.00 0.00 O ATOM 486 CB GLN A 44 -19.941 -0.332 -5.703 1.00 0.00 C ATOM 487 CG GLN A 44 -20.895 -1.412 -5.230 1.00 0.00 C ATOM 488 CD GLN A 44 -22.286 -0.885 -4.950 1.00 0.00 C ATOM 489 OE1 GLN A 44 -22.747 0.062 -5.585 1.00 0.00 O ATOM 490 NE2 GLN A 44 -22.960 -1.493 -3.989 1.00 0.00 N ATOM 0 H GLN A 44 -18.210 -1.253 -4.120 1.00 0.00 H new ATOM 0 HA GLN A 44 -18.745 -1.607 -6.940 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -19.790 0.388 -4.899 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.397 0.208 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.954 -2.195 -5.986 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.497 -1.871 -4.325 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.539 -2.275 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.901 -1.180 -3.749 1.00 0.00 H new ATOM 499 N MET A 45 -17.373 1.196 -5.810 1.00 0.00 N ATOM 500 CA MET A 45 -16.549 2.350 -6.167 1.00 0.00 C ATOM 501 C MET A 45 -15.313 1.986 -6.990 1.00 0.00 C ATOM 502 O MET A 45 -14.460 1.205 -6.563 1.00 0.00 O ATOM 503 CB MET A 45 -16.129 3.107 -4.898 1.00 0.00 C ATOM 504 CG MET A 45 -15.396 2.257 -3.871 1.00 0.00 C ATOM 505 SD MET A 45 -13.717 2.833 -3.545 1.00 0.00 S ATOM 506 CE MET A 45 -14.031 4.443 -2.828 1.00 0.00 C ATOM 0 H MET A 45 -17.656 1.180 -4.830 1.00 0.00 H new ATOM 0 HA MET A 45 -17.166 2.987 -6.801 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.489 3.942 -5.183 1.00 0.00 H new ATOM 0 HB3 MET A 45 -17.018 3.531 -4.432 1.00 0.00 H new ATOM 0 HG2 MET A 45 -15.961 2.256 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 45 -15.358 1.226 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 45 -13.321 4.627 -2.022 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.918 5.211 -3.594 1.00 0.00 H new ATOM 0 HE3 MET A 45 -15.046 4.473 -2.431 1.00 0.00 H new ATOM 516 N THR A 46 -15.292 2.488 -8.216 1.00 0.00 N ATOM 517 CA THR A 46 -14.172 2.294 -9.127 1.00 0.00 C ATOM 518 C THR A 46 -12.921 3.086 -8.682 1.00 0.00 C ATOM 519 O THR A 46 -12.747 3.391 -7.501 1.00 0.00 O ATOM 520 CB THR A 46 -14.604 2.696 -10.560 1.00 0.00 C ATOM 521 OG1 THR A 46 -13.570 2.417 -11.514 1.00 0.00 O ATOM 522 CG2 THR A 46 -14.980 4.170 -10.620 1.00 0.00 C ATOM 0 H THR A 46 -16.053 3.043 -8.609 1.00 0.00 H new ATOM 0 HA THR A 46 -13.894 1.240 -9.114 1.00 0.00 H new ATOM 0 HB THR A 46 -15.479 2.098 -10.816 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.871 2.679 -12.409 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.280 4.428 -11.636 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.808 4.362 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.122 4.776 -10.330 1.00 0.00 H new ATOM 530 N ASN A 47 -12.081 3.447 -9.645 1.00 0.00 N ATOM 531 CA ASN A 47 -10.836 4.163 -9.370 1.00 0.00 C ATOM 532 C ASN A 47 -11.093 5.639 -9.085 1.00 0.00 C ATOM 533 O ASN A 47 -10.424 6.237 -8.239 1.00 0.00 O ATOM 534 CB ASN A 47 -9.862 4.027 -10.544 1.00 0.00 C ATOM 535 CG ASN A 47 -9.068 2.735 -10.503 1.00 0.00 C ATOM 536 OD1 ASN A 47 -9.505 1.705 -11.017 1.00 0.00 O ATOM 537 ND2 ASN A 47 -7.888 2.780 -9.901 1.00 0.00 N ATOM 0 H ASN A 47 -12.240 3.254 -10.634 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.392 3.713 -8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.419 4.076 -11.480 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.173 4.872 -10.538 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.308 1.942 -9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.560 3.652 -9.487 1.00 0.00 H new ATOM 544 N ASP A 48 -12.043 6.224 -9.811 1.00 0.00 N ATOM 545 CA ASP A 48 -12.388 7.637 -9.635 1.00 0.00 C ATOM 546 C ASP A 48 -12.717 7.956 -8.180 1.00 0.00 C ATOM 547 O ASP A 48 -12.113 8.853 -7.584 1.00 0.00 O ATOM 548 CB ASP A 48 -13.574 8.025 -10.524 1.00 0.00 C ATOM 549 CG ASP A 48 -14.173 9.366 -10.134 1.00 0.00 C ATOM 550 OD1 ASP A 48 -13.652 10.412 -10.574 1.00 0.00 O ATOM 551 OD2 ASP A 48 -15.166 9.382 -9.376 1.00 0.00 O ATOM 0 H ASP A 48 -12.589 5.744 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.514 8.219 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.249 8.064 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.342 7.254 -10.459 1.00 0.00 H new ATOM 556 N ASP A 49 -13.681 7.227 -7.626 1.00 0.00 N ATOM 557 CA ASP A 49 -14.112 7.409 -6.240 1.00 0.00 C ATOM 558 C ASP A 49 -12.935 7.400 -5.281 1.00 0.00 C ATOM 559 O ASP A 49 -12.868 8.223 -4.365 1.00 0.00 O ATOM 560 CB ASP A 49 -15.082 6.302 -5.839 1.00 0.00 C ATOM 561 CG ASP A 49 -16.301 6.234 -6.732 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.178 5.760 -7.881 1.00 0.00 O ATOM 563 OD2 ASP A 49 -17.396 6.639 -6.286 1.00 0.00 O ATOM 0 H ASP A 49 -14.186 6.494 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.604 8.380 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.563 5.344 -5.868 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.401 6.461 -4.809 1.00 0.00 H new ATOM 568 N ILE A 50 -12.019 6.472 -5.494 1.00 0.00 N ATOM 569 CA ILE A 50 -10.813 6.346 -4.681 1.00 0.00 C ATOM 570 C ILE A 50 -10.087 7.666 -4.582 1.00 0.00 C ATOM 571 O ILE A 50 -9.723 8.118 -3.515 1.00 0.00 O ATOM 572 CB ILE A 50 -9.871 5.195 -5.222 1.00 0.00 C ATOM 573 CG1 ILE A 50 -10.448 3.752 -5.061 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.450 5.224 -4.579 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.692 2.638 -5.815 1.00 0.00 C ATOM 0 H ILE A 50 -12.087 5.779 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.116 6.064 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.804 5.416 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.461 3.502 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.484 3.755 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.849 4.412 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.970 6.178 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.537 5.103 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.179 1.680 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.701 2.851 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.662 2.595 -5.462 1.00 0.00 H new ATOM 587 N LYS A 51 -9.848 8.261 -5.742 1.00 0.00 N ATOM 588 CA LYS A 51 -9.117 9.516 -5.807 1.00 0.00 C ATOM 589 C LYS A 51 -9.916 10.671 -5.210 1.00 0.00 C ATOM 590 O LYS A 51 -9.341 11.589 -4.622 1.00 0.00 O ATOM 591 CB LYS A 51 -8.755 9.840 -7.254 1.00 0.00 C ATOM 592 CG LYS A 51 -7.800 8.840 -7.885 1.00 0.00 C ATOM 593 CD LYS A 51 -7.567 9.139 -9.359 1.00 0.00 C ATOM 594 CE LYS A 51 -6.844 10.464 -9.558 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.377 10.285 -9.744 1.00 0.00 N ATOM 0 H LYS A 51 -10.148 7.896 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.208 9.394 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.669 9.880 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.306 10.832 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.848 8.861 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.203 7.833 -7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.982 8.335 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.524 9.165 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.259 10.975 -10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.023 11.106 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.873 11.097 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.071 9.412 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.161 10.221 -10.759 1.00 0.00 H new ATOM 609 N ARG A 52 -11.236 10.609 -5.329 1.00 0.00 N ATOM 610 CA ARG A 52 -12.096 11.680 -4.842 1.00 0.00 C ATOM 611 C ARG A 52 -12.191 11.719 -3.317 1.00 0.00 C ATOM 612 O ARG A 52 -11.959 12.766 -2.719 1.00 0.00 O ATOM 613 CB ARG A 52 -13.495 11.557 -5.449 1.00 0.00 C ATOM 614 CG ARG A 52 -14.160 12.900 -5.701 1.00 0.00 C ATOM 615 CD ARG A 52 -15.565 12.738 -6.264 1.00 0.00 C ATOM 616 NE ARG A 52 -16.422 11.940 -5.387 1.00 0.00 N ATOM 617 CZ ARG A 52 -16.956 12.387 -4.248 1.00 0.00 C ATOM 618 NH1 ARG A 52 -16.742 13.637 -3.847 1.00 0.00 N ATOM 619 NH2 ARG A 52 -17.725 11.591 -3.518 1.00 0.00 N ATOM 0 H ARG A 52 -11.734 9.829 -5.758 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.638 12.617 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.429 11.010 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.123 10.968 -4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.204 13.464 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.554 13.481 -6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.012 13.721 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.510 12.265 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.625 10.979 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.166 14.262 -4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.154 13.971 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.909 10.636 -3.827 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.133 11.933 -2.648 1.00 0.00 H new ATOM 633 N ILE A 53 -12.564 10.590 -2.697 1.00 0.00 N ATOM 634 CA ILE A 53 -12.708 10.499 -1.230 1.00 0.00 C ATOM 635 C ILE A 53 -11.565 11.162 -0.449 1.00 0.00 C ATOM 636 O ILE A 53 -11.770 11.626 0.672 1.00 0.00 O ATOM 637 CB ILE A 53 -12.858 9.038 -0.746 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.626 8.216 -1.120 1.00 0.00 C ATOM 639 CG2 ILE A 53 -14.117 8.409 -1.326 1.00 0.00 C ATOM 640 CD1 ILE A 53 -11.532 6.895 -0.391 1.00 0.00 C ATOM 0 H ILE A 53 -12.773 9.721 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.623 11.053 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.946 9.046 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.638 8.028 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.731 8.802 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.205 7.381 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.989 8.979 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.059 8.416 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.632 6.368 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.488 7.075 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.408 6.289 -0.622 1.00 0.00 H new ATOM 652 N GLY A 54 -10.379 11.228 -1.032 1.00 0.00 N ATOM 653 CA GLY A 54 -9.268 11.853 -0.342 1.00 0.00 C ATOM 654 C GLY A 54 -7.955 11.143 -0.555 1.00 0.00 C ATOM 655 O GLY A 54 -7.150 11.022 0.366 1.00 0.00 O ATOM 0 H GLY A 54 -10.165 10.865 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.174 12.885 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.485 11.886 0.726 1.00 0.00 H new ATOM 659 N VAL A 55 -7.734 10.680 -1.772 1.00 0.00 N ATOM 660 CA VAL A 55 -6.506 9.983 -2.108 1.00 0.00 C ATOM 661 C VAL A 55 -5.778 10.725 -3.218 1.00 0.00 C ATOM 662 O VAL A 55 -6.157 10.644 -4.388 1.00 0.00 O ATOM 663 CB VAL A 55 -6.775 8.526 -2.546 1.00 0.00 C ATOM 664 CG1 VAL A 55 -5.477 7.820 -2.903 1.00 0.00 C ATOM 665 CG2 VAL A 55 -7.511 7.763 -1.456 1.00 0.00 C ATOM 0 H VAL A 55 -8.391 10.775 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.886 9.954 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.406 8.553 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.692 6.796 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.989 8.348 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.818 7.809 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.690 6.740 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.907 7.752 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.464 8.250 -1.251 1.00 0.00 H new ATOM 675 N ARG A 56 -4.738 11.460 -2.849 1.00 0.00 N ATOM 676 CA ARG A 56 -3.966 12.215 -3.829 1.00 0.00 C ATOM 677 C ARG A 56 -2.620 11.556 -4.075 1.00 0.00 C ATOM 678 O ARG A 56 -1.916 11.897 -5.018 1.00 0.00 O ATOM 679 CB ARG A 56 -3.777 13.676 -3.398 1.00 0.00 C ATOM 680 CG ARG A 56 -3.613 13.899 -1.897 1.00 0.00 C ATOM 681 CD ARG A 56 -2.236 13.488 -1.384 1.00 0.00 C ATOM 682 NE ARG A 56 -1.138 13.924 -2.256 1.00 0.00 N ATOM 683 CZ ARG A 56 0.078 14.264 -1.812 1.00 0.00 C ATOM 684 NH1 ARG A 56 0.320 14.340 -0.509 1.00 0.00 N ATOM 685 NH2 ARG A 56 1.052 14.533 -2.674 1.00 0.00 N ATOM 0 H ARG A 56 -4.411 11.550 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.532 12.215 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.900 14.076 -3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.635 14.253 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.780 14.952 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.378 13.333 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.087 13.905 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.202 12.403 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.312 13.971 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.423 14.139 0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.249 14.600 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.874 14.481 -3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.978 14.792 -2.333 1.00 0.00 H new ATOM 699 N LEU A 57 -2.262 10.616 -3.212 1.00 0.00 N ATOM 700 CA LEU A 57 -1.003 9.908 -3.354 1.00 0.00 C ATOM 701 C LEU A 57 -1.116 8.840 -4.432 1.00 0.00 C ATOM 702 O LEU A 57 -2.007 7.996 -4.368 1.00 0.00 O ATOM 703 CB LEU A 57 -0.595 9.245 -2.034 1.00 0.00 C ATOM 704 CG LEU A 57 -0.185 10.195 -0.909 1.00 0.00 C ATOM 705 CD1 LEU A 57 0.279 9.400 0.296 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.911 11.134 -1.378 1.00 0.00 C ATOM 0 H LEU A 57 -2.824 10.329 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.243 10.636 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.428 8.635 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.235 8.567 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.050 10.795 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.569 10.084 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.532 8.760 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.134 8.783 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.190 11.803 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.781 10.553 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.550 11.721 -2.223 1.00 0.00 H new ATOM 718 N PRO A 58 -0.215 8.854 -5.429 1.00 0.00 N ATOM 719 CA PRO A 58 -0.222 7.864 -6.508 1.00 0.00 C ATOM 720 C PRO A 58 -0.071 6.456 -5.947 1.00 0.00 C ATOM 721 O PRO A 58 -0.739 5.519 -6.387 1.00 0.00 O ATOM 722 CB PRO A 58 0.990 8.249 -7.372 1.00 0.00 C ATOM 723 CG PRO A 58 1.834 9.105 -6.491 1.00 0.00 C ATOM 724 CD PRO A 58 0.878 9.829 -5.591 1.00 0.00 C ATOM 0 HA PRO A 58 -1.153 7.862 -7.075 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.535 7.365 -7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.681 8.788 -8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.534 8.502 -5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.426 9.807 -7.078 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.336 10.086 -4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.528 10.760 -6.037 1.00 0.00 H new ATOM 732 N GLY A 59 0.793 6.324 -4.948 1.00 0.00 N ATOM 733 CA GLY A 59 1.016 5.042 -4.309 1.00 0.00 C ATOM 734 C GLY A 59 -0.216 4.475 -3.627 1.00 0.00 C ATOM 735 O GLY A 59 -0.498 3.277 -3.749 1.00 0.00 O ATOM 0 H GLY A 59 1.348 7.090 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.366 4.330 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.812 5.148 -3.572 1.00 0.00 H new ATOM 739 N HIS A 60 -0.976 5.312 -2.909 1.00 0.00 N ATOM 740 CA HIS A 60 -2.173 4.839 -2.239 1.00 0.00 C ATOM 741 C HIS A 60 -3.249 4.535 -3.272 1.00 0.00 C ATOM 742 O HIS A 60 -4.182 3.774 -3.011 1.00 0.00 O ATOM 743 CB HIS A 60 -2.687 5.865 -1.229 1.00 0.00 C ATOM 744 CG HIS A 60 -1.807 6.032 -0.023 1.00 0.00 C ATOM 745 ND1 HIS A 60 -2.054 6.930 0.986 1.00 0.00 N ATOM 746 CD2 HIS A 60 -0.663 5.402 0.318 1.00 0.00 C ATOM 747 CE1 HIS A 60 -1.077 6.824 1.888 1.00 0.00 C ATOM 748 NE2 HIS A 60 -0.204 5.909 1.532 1.00 0.00 N ATOM 0 H HIS A 60 -0.779 6.305 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.924 3.930 -1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.790 6.829 -1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.683 5.568 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.180 4.627 -0.259 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.012 7.412 2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.635 5.628 2.039 1.00 0.00 H new ATOM 756 N GLN A 61 -3.078 5.108 -4.461 1.00 0.00 N ATOM 757 CA GLN A 61 -4.020 4.914 -5.563 1.00 0.00 C ATOM 758 C GLN A 61 -3.829 3.539 -6.180 1.00 0.00 C ATOM 759 O GLN A 61 -4.585 3.117 -7.049 1.00 0.00 O ATOM 760 CB GLN A 61 -3.832 6.005 -6.610 1.00 0.00 C ATOM 761 CG GLN A 61 -4.694 7.224 -6.356 1.00 0.00 C ATOM 762 CD GLN A 61 -4.229 8.462 -7.103 1.00 0.00 C ATOM 763 OE1 GLN A 61 -3.788 8.400 -8.250 1.00 0.00 O ATOM 764 NE2 GLN A 61 -4.323 9.603 -6.444 1.00 0.00 N ATOM 0 H GLN A 61 -2.290 5.715 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.037 4.978 -5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.784 6.305 -6.630 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.066 5.600 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.721 7.000 -6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.703 7.436 -5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.694 9.614 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.025 10.473 -6.885 1.00 0.00 H new ATOM 773 N LYS A 62 -2.814 2.834 -5.701 1.00 0.00 N ATOM 774 CA LYS A 62 -2.529 1.495 -6.185 1.00 0.00 C ATOM 775 C LYS A 62 -2.805 0.495 -5.078 1.00 0.00 C ATOM 776 O LYS A 62 -3.375 -0.567 -5.315 1.00 0.00 O ATOM 777 CB LYS A 62 -1.081 1.358 -6.665 1.00 0.00 C ATOM 778 CG LYS A 62 -0.840 0.104 -7.496 1.00 0.00 C ATOM 779 CD LYS A 62 0.625 -0.320 -7.473 1.00 0.00 C ATOM 780 CE LYS A 62 0.802 -1.768 -7.907 1.00 0.00 C ATOM 781 NZ LYS A 62 2.125 -2.320 -7.494 1.00 0.00 N ATOM 0 H LYS A 62 -2.176 3.168 -4.979 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.176 1.297 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.817 2.234 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.418 1.346 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.459 -0.708 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.149 0.285 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.202 0.330 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.025 -0.191 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.006 -2.375 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.704 -1.836 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.151 -3.341 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.881 -1.847 -8.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.267 -2.157 -6.477 1.00 0.00 H new ATOM 795 N ARG A 63 -2.408 0.861 -3.861 1.00 0.00 N ATOM 796 CA ARG A 63 -2.619 0.022 -2.682 1.00 0.00 C ATOM 797 C ARG A 63 -4.102 -0.301 -2.516 1.00 0.00 C ATOM 798 O ARG A 63 -4.474 -1.421 -2.172 1.00 0.00 O ATOM 799 CB ARG A 63 -2.106 0.728 -1.420 1.00 0.00 C ATOM 800 CG ARG A 63 -2.155 -0.138 -0.163 1.00 0.00 C ATOM 801 CD ARG A 63 -0.767 -0.604 0.257 1.00 0.00 C ATOM 802 NE ARG A 63 -0.192 -1.535 -0.710 1.00 0.00 N ATOM 803 CZ ARG A 63 0.613 -1.170 -1.703 1.00 0.00 C ATOM 804 NH1 ARG A 63 1.019 0.090 -1.812 1.00 0.00 N ATOM 805 NH2 ARG A 63 1.045 -2.071 -2.575 1.00 0.00 N ATOM 0 H ARG A 63 -1.934 1.742 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.063 -0.905 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.078 1.050 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.698 1.628 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.610 0.427 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.790 -1.005 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.111 0.260 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.825 -1.084 1.234 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.422 -2.525 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.713 0.785 -1.131 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.637 0.362 -2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.760 -3.046 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.663 -1.789 -3.336 1.00 0.00 H new ATOM 819 N ILE A 64 -4.942 0.693 -2.764 1.00 0.00 N ATOM 820 CA ILE A 64 -6.376 0.520 -2.648 1.00 0.00 C ATOM 821 C ILE A 64 -6.951 -0.154 -3.893 1.00 0.00 C ATOM 822 O ILE A 64 -7.680 -1.134 -3.783 1.00 0.00 O ATOM 823 CB ILE A 64 -7.085 1.873 -2.413 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.558 2.523 -1.132 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.593 1.683 -2.329 1.00 0.00 C ATOM 826 CD1 ILE A 64 -7.015 3.953 -0.939 1.00 0.00 C ATOM 0 H ILE A 64 -4.651 1.629 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.555 -0.123 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.871 2.529 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.880 1.930 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.468 2.498 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.073 2.648 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.958 1.252 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.830 1.013 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.601 4.345 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.670 4.561 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.104 3.984 -0.893 1.00 0.00 H new ATOM 838 N ALA A 65 -6.588 0.356 -5.070 1.00 0.00 N ATOM 839 CA ALA A 65 -7.084 -0.183 -6.339 1.00 0.00 C ATOM 840 C ALA A 65 -6.767 -1.670 -6.503 1.00 0.00 C ATOM 841 O ALA A 65 -7.656 -2.469 -6.794 1.00 0.00 O ATOM 842 CB ALA A 65 -6.501 0.605 -7.501 1.00 0.00 C ATOM 0 H ALA A 65 -5.950 1.145 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.169 -0.082 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.875 0.198 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.796 1.651 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.414 0.532 -7.481 1.00 0.00 H new ATOM 848 N TYR A 66 -5.501 -2.031 -6.314 1.00 0.00 N ATOM 849 CA TYR A 66 -5.056 -3.420 -6.445 1.00 0.00 C ATOM 850 C TYR A 66 -5.878 -4.331 -5.543 1.00 0.00 C ATOM 851 O TYR A 66 -6.461 -5.316 -5.994 1.00 0.00 O ATOM 852 CB TYR A 66 -3.571 -3.519 -6.078 1.00 0.00 C ATOM 853 CG TYR A 66 -2.907 -4.830 -6.440 1.00 0.00 C ATOM 854 CD1 TYR A 66 -3.212 -5.490 -7.626 1.00 0.00 C ATOM 855 CD2 TYR A 66 -1.952 -5.398 -5.602 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.587 -6.675 -7.963 1.00 0.00 C ATOM 857 CE2 TYR A 66 -1.326 -6.585 -5.933 1.00 0.00 C ATOM 858 CZ TYR A 66 -1.646 -7.217 -7.115 1.00 0.00 C ATOM 859 OH TYR A 66 -1.015 -8.392 -7.456 1.00 0.00 O ATOM 0 H TYR A 66 -4.758 -1.377 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.196 -3.740 -7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.035 -2.709 -6.573 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.466 -3.361 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.949 -5.069 -8.294 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.696 -4.903 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.835 -7.175 -8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.590 -7.015 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.380 -8.638 -6.752 1.00 0.00 H new ATOM 869 N SER A 67 -5.914 -3.981 -4.271 1.00 0.00 N ATOM 870 CA SER A 67 -6.660 -4.740 -3.285 1.00 0.00 C ATOM 871 C SER A 67 -8.154 -4.764 -3.615 1.00 0.00 C ATOM 872 O SER A 67 -8.819 -5.782 -3.413 1.00 0.00 O ATOM 873 CB SER A 67 -6.417 -4.153 -1.902 1.00 0.00 C ATOM 874 OG SER A 67 -5.032 -3.971 -1.665 1.00 0.00 O ATOM 0 H SER A 67 -5.430 -3.167 -3.893 1.00 0.00 H new ATOM 0 HA SER A 67 -6.310 -5.772 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.934 -3.197 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.836 -4.814 -1.143 1.00 0.00 H new ATOM 0 HG SER A 67 -4.851 -3.023 -1.498 1.00 0.00 H new ATOM 880 N LEU A 68 -8.684 -3.646 -4.115 1.00 0.00 N ATOM 881 CA LEU A 68 -10.094 -3.565 -4.489 1.00 0.00 C ATOM 882 C LEU A 68 -10.426 -4.593 -5.558 1.00 0.00 C ATOM 883 O LEU A 68 -11.482 -5.222 -5.511 1.00 0.00 O ATOM 884 CB LEU A 68 -10.445 -2.166 -5.005 1.00 0.00 C ATOM 885 CG LEU A 68 -10.908 -1.166 -3.945 1.00 0.00 C ATOM 886 CD1 LEU A 68 -11.273 0.159 -4.597 1.00 0.00 C ATOM 887 CD2 LEU A 68 -12.095 -1.716 -3.170 1.00 0.00 C ATOM 0 H LEU A 68 -8.157 -2.786 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.683 -3.772 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.570 -1.755 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.230 -2.262 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.088 -1.001 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.601 0.863 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.402 0.563 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.078 0.002 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.409 -0.989 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.920 -1.909 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.809 -2.645 -2.677 1.00 0.00 H new ATOM 899 N LEU A 69 -9.519 -4.750 -6.521 1.00 0.00 N ATOM 900 CA LEU A 69 -9.700 -5.712 -7.605 1.00 0.00 C ATOM 901 C LEU A 69 -9.917 -7.101 -7.028 1.00 0.00 C ATOM 902 O LEU A 69 -10.784 -7.847 -7.482 1.00 0.00 O ATOM 903 CB LEU A 69 -8.481 -5.719 -8.533 1.00 0.00 C ATOM 904 CG LEU A 69 -8.114 -4.364 -9.143 1.00 0.00 C ATOM 905 CD1 LEU A 69 -6.887 -4.489 -10.031 1.00 0.00 C ATOM 906 CD2 LEU A 69 -9.283 -3.796 -9.933 1.00 0.00 C ATOM 0 H LEU A 69 -8.649 -4.221 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.575 -5.419 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.622 -6.092 -7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.666 -6.425 -9.343 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.882 -3.678 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.644 -3.515 -10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.045 -4.848 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.091 -5.194 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.001 -2.833 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.548 -4.484 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.139 -3.664 -9.272 1.00 0.00 H new ATOM 918 N GLY A 70 -9.134 -7.426 -6.006 1.00 0.00 N ATOM 919 CA GLY A 70 -9.261 -8.709 -5.358 1.00 0.00 C ATOM 920 C GLY A 70 -10.609 -8.858 -4.689 1.00 0.00 C ATOM 921 O GLY A 70 -11.285 -9.861 -4.870 1.00 0.00 O ATOM 0 H GLY A 70 -8.413 -6.819 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.127 -9.504 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.470 -8.824 -4.616 1.00 0.00 H new ATOM 925 N LEU A 71 -11.012 -7.836 -3.938 1.00 0.00 N ATOM 926 CA LEU A 71 -12.299 -7.847 -3.238 1.00 0.00 C ATOM 927 C LEU A 71 -13.461 -7.999 -4.219 1.00 0.00 C ATOM 928 O LEU A 71 -14.393 -8.771 -3.979 1.00 0.00 O ATOM 929 CB LEU A 71 -12.484 -6.561 -2.429 1.00 0.00 C ATOM 930 CG LEU A 71 -11.414 -6.293 -1.368 1.00 0.00 C ATOM 931 CD1 LEU A 71 -11.729 -5.007 -0.619 1.00 0.00 C ATOM 932 CD2 LEU A 71 -11.312 -7.464 -0.400 1.00 0.00 C ATOM 0 H LEU A 71 -10.466 -6.986 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.296 -8.702 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.506 -5.718 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.457 -6.597 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.451 -6.180 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.961 -4.827 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.752 -4.173 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.700 -5.098 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.546 -7.254 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.271 -7.610 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.046 -8.367 -0.949 1.00 0.00 H new ATOM 944 N LYS A 72 -13.394 -7.260 -5.323 1.00 0.00 N ATOM 945 CA LYS A 72 -14.431 -7.309 -6.348 1.00 0.00 C ATOM 946 C LYS A 72 -14.534 -8.715 -6.943 1.00 0.00 C ATOM 947 O LYS A 72 -15.626 -9.194 -7.253 1.00 0.00 O ATOM 948 CB LYS A 72 -14.138 -6.276 -7.446 1.00 0.00 C ATOM 949 CG LYS A 72 -14.196 -4.832 -6.957 1.00 0.00 C ATOM 950 CD LYS A 72 -13.551 -3.866 -7.945 1.00 0.00 C ATOM 951 CE LYS A 72 -13.384 -2.473 -7.345 1.00 0.00 C ATOM 952 NZ LYS A 72 -14.499 -1.553 -7.714 1.00 0.00 N ATOM 0 H LYS A 72 -12.629 -6.618 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.388 -7.065 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.149 -6.471 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.856 -6.406 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.235 -4.545 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.692 -4.755 -5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.577 -4.251 -8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.163 -3.804 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.328 -2.553 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.439 -2.047 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.320 -0.612 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.560 -1.479 -8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.395 -1.926 -7.340 1.00 0.00 H new ATOM 966 N ASP A 73 -13.392 -9.377 -7.084 1.00 0.00 N ATOM 967 CA ASP A 73 -13.350 -10.732 -7.628 1.00 0.00 C ATOM 968 C ASP A 73 -13.747 -11.754 -6.564 1.00 0.00 C ATOM 969 O ASP A 73 -14.422 -12.743 -6.853 1.00 0.00 O ATOM 970 CB ASP A 73 -11.947 -11.052 -8.153 1.00 0.00 C ATOM 971 CG ASP A 73 -11.876 -12.406 -8.832 1.00 0.00 C ATOM 972 OD1 ASP A 73 -12.703 -12.669 -9.729 1.00 0.00 O ATOM 973 OD2 ASP A 73 -10.988 -13.210 -8.480 1.00 0.00 O ATOM 0 H ASP A 73 -12.480 -8.998 -6.829 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.062 -10.788 -8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.641 -10.279 -8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.238 -11.027 -7.325 1.00 0.00 H new ATOM 978 N GLN A 74 -13.334 -11.495 -5.329 1.00 0.00 N ATOM 979 CA GLN A 74 -13.630 -12.378 -4.204 1.00 0.00 C ATOM 980 C GLN A 74 -15.135 -12.545 -4.013 1.00 0.00 C ATOM 981 O GLN A 74 -15.621 -13.659 -3.822 1.00 0.00 O ATOM 982 CB GLN A 74 -12.996 -11.837 -2.919 1.00 0.00 C ATOM 983 CG GLN A 74 -11.508 -12.140 -2.800 1.00 0.00 C ATOM 984 CD GLN A 74 -11.224 -13.590 -2.454 1.00 0.00 C ATOM 985 OE1 GLN A 74 -12.009 -14.485 -2.765 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.095 -13.834 -1.806 1.00 0.00 N ATOM 0 H GLN A 74 -12.787 -10.671 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.204 -13.356 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.143 -10.758 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.515 -12.263 -2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.016 -11.894 -3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.072 -11.498 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.469 -13.066 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.852 -14.790 -1.548 1.00 0.00 H new ATOM 995 N VAL A 75 -15.872 -11.444 -4.090 1.00 0.00 N ATOM 996 CA VAL A 75 -17.324 -11.495 -3.923 1.00 0.00 C ATOM 997 C VAL A 75 -17.987 -12.147 -5.140 1.00 0.00 C ATOM 998 O VAL A 75 -19.137 -12.588 -5.080 1.00 0.00 O ATOM 999 CB VAL A 75 -17.921 -10.089 -3.682 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -17.984 -9.283 -4.971 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.298 -10.192 -3.038 1.00 0.00 C ATOM 0 H VAL A 75 -15.496 -10.512 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.528 -12.102 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.260 -9.560 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.409 -8.300 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -16.979 -9.166 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.610 -9.804 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.700 -9.192 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.966 -10.750 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.215 -10.708 -2.081 1.00 0.00 H new ATOM 1011 N ASN A 76 -17.248 -12.220 -6.239 1.00 0.00 N ATOM 1012 CA ASN A 76 -17.758 -12.825 -7.464 1.00 0.00 C ATOM 1013 C ASN A 76 -17.514 -14.325 -7.453 1.00 0.00 C ATOM 1014 O ASN A 76 -18.148 -15.075 -8.195 1.00 0.00 O ATOM 1015 CB ASN A 76 -17.103 -12.200 -8.695 1.00 0.00 C ATOM 1016 CG ASN A 76 -17.963 -11.123 -9.320 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -18.802 -11.401 -10.176 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -17.758 -9.885 -8.902 1.00 0.00 N ATOM 0 H ASN A 76 -16.293 -11.868 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 76 -18.831 -12.639 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.139 -11.775 -8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.906 -12.978 -9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -18.306 -9.118 -9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.052 -9.697 -8.190 1.00 0.00 H new ATOM 1025 N THR A 77 -16.588 -14.755 -6.610 1.00 0.00 N ATOM 1026 CA THR A 77 -16.260 -16.163 -6.493 1.00 0.00 C ATOM 1027 C THR A 77 -17.264 -16.871 -5.584 1.00 0.00 C ATOM 1028 O THR A 77 -17.040 -17.021 -4.382 1.00 0.00 O ATOM 1029 CB THR A 77 -14.825 -16.349 -5.958 1.00 0.00 C ATOM 1030 OG1 THR A 77 -13.920 -15.510 -6.696 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.381 -17.802 -6.075 1.00 0.00 C ATOM 0 H THR A 77 -16.050 -14.144 -5.995 1.00 0.00 H new ATOM 0 HA THR A 77 -16.314 -16.609 -7.486 1.00 0.00 H new ATOM 0 HB THR A 77 -14.814 -16.069 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.136 -14.569 -6.528 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.366 -17.904 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.054 -18.436 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.405 -18.107 -7.121 1.00 0.00 H new ATOM 1039 N VAL A 78 -18.395 -17.248 -6.164 1.00 0.00 N ATOM 1040 CA VAL A 78 -19.449 -17.936 -5.432 1.00 0.00 C ATOM 1041 C VAL A 78 -19.058 -19.376 -5.114 1.00 0.00 C ATOM 1042 O VAL A 78 -19.150 -19.762 -3.932 1.00 0.00 O ATOM 1043 CB VAL A 78 -20.786 -17.924 -6.207 1.00 0.00 C ATOM 1044 CG1 VAL A 78 -21.465 -16.572 -6.071 1.00 0.00 C ATOM 1045 CG2 VAL A 78 -20.575 -18.268 -7.677 1.00 0.00 C ATOM 1046 OXT VAL A 78 -18.657 -20.114 -6.043 1.00 0.00 O ATOM 0 H VAL A 78 -18.607 -17.087 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 78 -19.584 -17.392 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 78 -21.433 -18.687 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -22.405 -16.580 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -21.663 -16.369 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -20.814 -15.796 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -21.534 -18.252 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.905 -17.537 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.135 -19.262 -7.759 1.00 0.00 H new TER 1056 VAL A 78 ATOM 1057 N GLY B 28 8.751 4.231 11.702 1.00 0.00 N ATOM 1058 CA GLY B 28 8.912 3.951 10.256 1.00 0.00 C ATOM 1059 C GLY B 28 10.203 3.214 9.963 1.00 0.00 C ATOM 1060 O GLY B 28 10.825 2.665 10.870 1.00 0.00 O ATOM 0 HA2 GLY B 28 8.068 3.358 9.905 1.00 0.00 H new ATOM 0 HA3 GLY B 28 8.895 4.889 9.701 1.00 0.00 H new ATOM 1064 N MET B 29 10.623 3.221 8.705 1.00 0.00 N ATOM 1065 CA MET B 29 11.840 2.523 8.300 1.00 0.00 C ATOM 1066 C MET B 29 13.003 3.492 8.070 1.00 0.00 C ATOM 1067 O MET B 29 13.830 3.288 7.178 1.00 0.00 O ATOM 1068 CB MET B 29 11.575 1.695 7.032 1.00 0.00 C ATOM 1069 CG MET B 29 11.242 2.521 5.795 1.00 0.00 C ATOM 1070 SD MET B 29 9.554 3.151 5.796 1.00 0.00 S ATOM 1071 CE MET B 29 9.395 3.650 4.083 1.00 0.00 C ATOM 0 H MET B 29 10.140 3.702 7.946 1.00 0.00 H new ATOM 0 HA MET B 29 12.127 1.856 9.113 1.00 0.00 H new ATOM 0 HB2 MET B 29 12.454 1.086 6.821 1.00 0.00 H new ATOM 0 HB3 MET B 29 10.751 1.008 7.227 1.00 0.00 H new ATOM 0 HG2 MET B 29 11.936 3.359 5.728 1.00 0.00 H new ATOM 0 HG3 MET B 29 11.394 1.909 4.906 1.00 0.00 H new ATOM 0 HE1 MET B 29 9.149 4.711 4.034 1.00 0.00 H new ATOM 0 HE2 MET B 29 10.336 3.471 3.563 1.00 0.00 H new ATOM 0 HE3 MET B 29 8.602 3.072 3.608 1.00 0.00 H new ATOM 1081 N SER B 30 13.089 4.511 8.913 1.00 0.00 N ATOM 1082 CA SER B 30 14.141 5.519 8.793 1.00 0.00 C ATOM 1083 C SER B 30 15.519 4.921 9.087 1.00 0.00 C ATOM 1084 O SER B 30 16.405 4.924 8.228 1.00 0.00 O ATOM 1085 CB SER B 30 13.855 6.691 9.727 1.00 0.00 C ATOM 1086 OG SER B 30 12.492 7.070 9.649 1.00 0.00 O ATOM 0 H SER B 30 12.445 4.665 9.689 1.00 0.00 H new ATOM 0 HA SER B 30 14.149 5.881 7.765 1.00 0.00 H new ATOM 0 HB2 SER B 30 14.103 6.415 10.752 1.00 0.00 H new ATOM 0 HB3 SER B 30 14.489 7.537 9.462 1.00 0.00 H new ATOM 0 HG SER B 30 12.113 6.756 8.802 1.00 0.00 H new ATOM 1092 N ALA B 31 15.696 4.389 10.293 1.00 0.00 N ATOM 1093 CA ALA B 31 16.967 3.786 10.678 1.00 0.00 C ATOM 1094 C ALA B 31 17.165 2.459 9.959 1.00 0.00 C ATOM 1095 O ALA B 31 18.289 1.989 9.789 1.00 0.00 O ATOM 1096 CB ALA B 31 17.033 3.588 12.180 1.00 0.00 C ATOM 0 H ALA B 31 14.978 4.363 11.017 1.00 0.00 H new ATOM 0 HA ALA B 31 17.770 4.463 10.386 1.00 0.00 H new ATOM 0 HB1 ALA B 31 17.989 3.137 12.446 1.00 0.00 H new ATOM 0 HB2 ALA B 31 16.935 4.552 12.679 1.00 0.00 H new ATOM 0 HB3 ALA B 31 16.222 2.932 12.497 1.00 0.00 H new ATOM 1102 N TRP B 32 16.052 1.871 9.545 1.00 0.00 N ATOM 1103 CA TRP B 32 16.052 0.609 8.824 1.00 0.00 C ATOM 1104 C TRP B 32 16.835 0.759 7.521 1.00 0.00 C ATOM 1105 O TRP B 32 17.886 0.141 7.334 1.00 0.00 O ATOM 1106 CB TRP B 32 14.603 0.208 8.535 1.00 0.00 C ATOM 1107 CG TRP B 32 14.364 -1.265 8.428 1.00 0.00 C ATOM 1108 CD1 TRP B 32 14.405 -2.181 9.439 1.00 0.00 C ATOM 1109 CD2 TRP B 32 14.014 -1.987 7.244 1.00 0.00 C ATOM 1110 NE1 TRP B 32 14.103 -3.430 8.953 1.00 0.00 N ATOM 1111 CE2 TRP B 32 13.862 -3.337 7.607 1.00 0.00 C ATOM 1112 CE3 TRP B 32 13.815 -1.621 5.910 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 13.519 -4.321 6.685 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 13.474 -2.598 4.996 1.00 0.00 C ATOM 1115 CH2 TRP B 32 13.328 -3.934 5.387 1.00 0.00 C ATOM 0 H TRP B 32 15.121 2.258 9.701 1.00 0.00 H new ATOM 0 HA TRP B 32 16.529 -0.166 9.424 1.00 0.00 H new ATOM 0 HB2 TRP B 32 13.967 0.608 9.325 1.00 0.00 H new ATOM 0 HB3 TRP B 32 14.290 0.680 7.604 1.00 0.00 H new ATOM 0 HD1 TRP B 32 14.640 -1.957 10.469 1.00 0.00 H new ATOM 0 HE1 TRP B 32 14.064 -4.287 9.504 1.00 0.00 H new ATOM 0 HE3 TRP B 32 13.926 -0.593 5.600 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 13.408 -5.353 6.983 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 13.317 -2.327 3.962 1.00 0.00 H new ATOM 0 HH2 TRP B 32 13.059 -4.675 4.649 1.00 0.00 H new ATOM 1126 N LEU B 33 16.306 1.587 6.623 1.00 0.00 N ATOM 1127 CA LEU B 33 16.942 1.858 5.335 1.00 0.00 C ATOM 1128 C LEU B 33 18.323 2.495 5.497 1.00 0.00 C ATOM 1129 O LEU B 33 19.148 2.433 4.588 1.00 0.00 O ATOM 1130 CB LEU B 33 16.057 2.776 4.488 1.00 0.00 C ATOM 1131 CG LEU B 33 14.692 2.206 4.094 1.00 0.00 C ATOM 1132 CD1 LEU B 33 13.926 3.211 3.249 1.00 0.00 C ATOM 1133 CD2 LEU B 33 14.851 0.895 3.340 1.00 0.00 C ATOM 0 H LEU B 33 15.429 2.087 6.766 1.00 0.00 H new ATOM 0 HA LEU B 33 17.069 0.898 4.834 1.00 0.00 H new ATOM 0 HB2 LEU B 33 15.898 3.704 5.037 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.599 3.033 3.578 1.00 0.00 H new ATOM 0 HG LEU B 33 14.127 2.009 5.005 1.00 0.00 H new ATOM 0 HD11 LEU B 33 12.957 2.793 2.976 1.00 0.00 H new ATOM 0 HD12 LEU B 33 13.778 4.128 3.819 1.00 0.00 H new ATOM 0 HD13 LEU B 33 14.493 3.434 2.345 1.00 0.00 H new ATOM 0 HD21 LEU B 33 13.868 0.509 3.070 1.00 0.00 H new ATOM 0 HD22 LEU B 33 15.435 1.064 2.435 1.00 0.00 H new ATOM 0 HD23 LEU B 33 15.364 0.171 3.973 1.00 0.00 H new ATOM 1145 N ARG B 34 18.571 3.108 6.647 1.00 0.00 N ATOM 1146 CA ARG B 34 19.854 3.755 6.912 1.00 0.00 C ATOM 1147 C ARG B 34 21.003 2.747 6.861 1.00 0.00 C ATOM 1148 O ARG B 34 22.023 2.991 6.220 1.00 0.00 O ATOM 1149 CB ARG B 34 19.831 4.439 8.282 1.00 0.00 C ATOM 1150 CG ARG B 34 21.139 5.118 8.657 1.00 0.00 C ATOM 1151 CD ARG B 34 21.293 6.453 7.950 1.00 0.00 C ATOM 1152 NE ARG B 34 20.207 7.376 8.285 1.00 0.00 N ATOM 1153 CZ ARG B 34 20.016 8.550 7.685 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.851 8.960 6.741 1.00 0.00 N ATOM 1155 NH2 ARG B 34 18.988 9.315 8.031 1.00 0.00 N ATOM 0 H ARG B 34 17.901 3.172 7.414 1.00 0.00 H new ATOM 0 HA ARG B 34 20.016 4.503 6.136 1.00 0.00 H new ATOM 0 HB2 ARG B 34 19.032 5.181 8.293 1.00 0.00 H new ATOM 0 HB3 ARG B 34 19.587 3.697 9.043 1.00 0.00 H new ATOM 0 HG2 ARG B 34 21.176 5.270 9.736 1.00 0.00 H new ATOM 0 HG3 ARG B 34 21.975 4.469 8.398 1.00 0.00 H new ATOM 0 HD2 ARG B 34 22.248 6.901 8.224 1.00 0.00 H new ATOM 0 HD3 ARG B 34 21.314 6.293 6.872 1.00 0.00 H new ATOM 0 HE ARG B 34 19.557 7.104 9.023 1.00 0.00 H new ATOM 0 HH11 ARG B 34 21.643 8.376 6.472 1.00 0.00 H new ATOM 0 HH12 ARG B 34 20.702 9.859 6.284 1.00 0.00 H new ATOM 0 HH21 ARG B 34 18.343 9.004 8.757 1.00 0.00 H new ATOM 0 HH22 ARG B 34 18.843 10.214 7.571 1.00 0.00 H new ATOM 1169 N ALA B 35 20.814 1.613 7.532 1.00 0.00 N ATOM 1170 CA ALA B 35 21.830 0.564 7.596 1.00 0.00 C ATOM 1171 C ALA B 35 22.254 0.065 6.213 1.00 0.00 C ATOM 1172 O ALA B 35 23.418 -0.287 6.007 1.00 0.00 O ATOM 1173 CB ALA B 35 21.324 -0.599 8.434 1.00 0.00 C ATOM 0 H ALA B 35 19.959 1.396 8.043 1.00 0.00 H new ATOM 0 HA ALA B 35 22.712 1.003 8.062 1.00 0.00 H new ATOM 0 HB1 ALA B 35 22.087 -1.376 8.476 1.00 0.00 H new ATOM 0 HB2 ALA B 35 21.104 -0.251 9.443 1.00 0.00 H new ATOM 0 HB3 ALA B 35 20.418 -1.005 7.984 1.00 0.00 H new ATOM 1179 N ILE B 36 21.324 0.040 5.268 1.00 0.00 N ATOM 1180 CA ILE B 36 21.626 -0.443 3.923 1.00 0.00 C ATOM 1181 C ILE B 36 21.974 0.691 2.961 1.00 0.00 C ATOM 1182 O ILE B 36 22.475 0.439 1.868 1.00 0.00 O ATOM 1183 CB ILE B 36 20.459 -1.255 3.331 1.00 0.00 C ATOM 1184 CG1 ILE B 36 19.139 -0.503 3.510 1.00 0.00 C ATOM 1185 CG2 ILE B 36 20.395 -2.630 3.980 1.00 0.00 C ATOM 1186 CD1 ILE B 36 18.027 -1.006 2.620 1.00 0.00 C ATOM 0 H ILE B 36 20.360 0.346 5.404 1.00 0.00 H new ATOM 0 HA ILE B 36 22.497 -1.089 4.034 1.00 0.00 H new ATOM 0 HB ILE B 36 20.629 -1.388 2.262 1.00 0.00 H new ATOM 0 HG12 ILE B 36 18.824 -0.583 4.550 1.00 0.00 H new ATOM 0 HG13 ILE B 36 19.304 0.555 3.307 1.00 0.00 H new ATOM 0 HG21 ILE B 36 19.566 -3.195 3.554 1.00 0.00 H new ATOM 0 HG22 ILE B 36 21.329 -3.162 3.798 1.00 0.00 H new ATOM 0 HG23 ILE B 36 20.244 -2.519 5.054 1.00 0.00 H new ATOM 0 HD11 ILE B 36 17.123 -0.425 2.803 1.00 0.00 H new ATOM 0 HD12 ILE B 36 18.321 -0.900 1.576 1.00 0.00 H new ATOM 0 HD13 ILE B 36 17.833 -2.056 2.838 1.00 0.00 H new ATOM 1198 N GLY B 37 21.709 1.926 3.365 1.00 0.00 N ATOM 1199 CA GLY B 37 22.013 3.061 2.509 1.00 0.00 C ATOM 1200 C GLY B 37 20.886 3.381 1.545 1.00 0.00 C ATOM 1201 O GLY B 37 21.128 3.786 0.407 1.00 0.00 O ATOM 0 H GLY B 37 21.291 2.164 4.265 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.216 3.935 3.128 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.922 2.853 1.944 1.00 0.00 H new ATOM 1205 N LEU B 38 19.652 3.236 2.008 1.00 0.00 N ATOM 1206 CA LEU B 38 18.483 3.501 1.174 1.00 0.00 C ATOM 1207 C LEU B 38 17.588 4.553 1.825 1.00 0.00 C ATOM 1208 O LEU B 38 16.485 4.821 1.353 1.00 0.00 O ATOM 1209 CB LEU B 38 17.687 2.214 0.934 1.00 0.00 C ATOM 1210 CG LEU B 38 17.838 1.594 -0.461 1.00 0.00 C ATOM 1211 CD1 LEU B 38 19.235 1.030 -0.659 1.00 0.00 C ATOM 1212 CD2 LEU B 38 16.790 0.514 -0.682 1.00 0.00 C ATOM 0 H LEU B 38 19.432 2.936 2.958 1.00 0.00 H new ATOM 0 HA LEU B 38 18.832 3.881 0.214 1.00 0.00 H new ATOM 0 HB2 LEU B 38 17.992 1.476 1.676 1.00 0.00 H new ATOM 0 HB3 LEU B 38 16.631 2.423 1.107 1.00 0.00 H new ATOM 0 HG LEU B 38 17.684 2.382 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU B 38 19.315 0.597 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU B 38 19.969 1.829 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU B 38 19.425 0.259 0.088 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.913 0.086 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU B 38 16.910 -0.268 0.067 1.00 0.00 H new ATOM 0 HD23 LEU B 38 15.795 0.950 -0.595 1.00 0.00 H new ATOM 1224 N GLU B 39 18.068 5.096 2.941 1.00 0.00 N ATOM 1225 CA GLU B 39 17.351 6.131 3.698 1.00 0.00 C ATOM 1226 C GLU B 39 16.746 7.214 2.793 1.00 0.00 C ATOM 1227 O GLU B 39 15.635 7.679 3.032 1.00 0.00 O ATOM 1228 CB GLU B 39 18.268 6.781 4.738 1.00 0.00 C ATOM 1229 CG GLU B 39 19.511 7.429 4.148 1.00 0.00 C ATOM 1230 CD GLU B 39 20.740 6.558 4.276 1.00 0.00 C ATOM 1231 OE1 GLU B 39 20.639 5.341 4.027 1.00 0.00 O ATOM 1232 OE2 GLU B 39 21.811 7.092 4.631 1.00 0.00 O ATOM 0 H GLU B 39 18.965 4.834 3.350 1.00 0.00 H new ATOM 0 HA GLU B 39 16.528 5.626 4.203 1.00 0.00 H new ATOM 0 HB2 GLU B 39 17.702 7.535 5.285 1.00 0.00 H new ATOM 0 HB3 GLU B 39 18.573 6.025 5.461 1.00 0.00 H new ATOM 0 HG2 GLU B 39 19.335 7.650 3.095 1.00 0.00 H new ATOM 0 HG3 GLU B 39 19.692 8.381 4.648 1.00 0.00 H new ATOM 1239 N ARG B 40 17.477 7.600 1.751 1.00 0.00 N ATOM 1240 CA ARG B 40 17.022 8.636 0.818 1.00 0.00 C ATOM 1241 C ARG B 40 15.787 8.220 0.018 1.00 0.00 C ATOM 1242 O ARG B 40 15.213 9.035 -0.707 1.00 0.00 O ATOM 1243 CB ARG B 40 18.144 8.997 -0.157 1.00 0.00 C ATOM 1244 CG ARG B 40 19.449 9.376 0.518 1.00 0.00 C ATOM 1245 CD ARG B 40 20.354 10.142 -0.429 1.00 0.00 C ATOM 1246 NE ARG B 40 20.647 9.391 -1.651 1.00 0.00 N ATOM 1247 CZ ARG B 40 21.475 9.814 -2.603 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.101 10.978 -2.479 1.00 0.00 N ATOM 1249 NH2 ARG B 40 21.681 9.071 -3.683 1.00 0.00 N ATOM 0 H ARG B 40 18.393 7.210 1.528 1.00 0.00 H new ATOM 0 HA ARG B 40 16.748 9.498 1.427 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.322 8.150 -0.820 1.00 0.00 H new ATOM 0 HB3 ARG B 40 17.815 9.827 -0.782 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.243 9.983 1.399 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.958 8.476 0.863 1.00 0.00 H new ATOM 0 HD2 ARG B 40 19.882 11.089 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG B 40 21.288 10.382 0.080 1.00 0.00 H new ATOM 0 HE ARG B 40 20.189 8.489 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG B 40 21.949 11.553 -1.651 1.00 0.00 H new ATOM 0 HH12 ARG B 40 22.735 11.297 -3.212 1.00 0.00 H new ATOM 0 HH21 ARG B 40 21.204 8.175 -3.784 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.316 9.396 -4.412 1.00 0.00 H new ATOM 1263 N TYR B 41 15.376 6.965 0.130 1.00 0.00 N ATOM 1264 CA TYR B 41 14.217 6.493 -0.606 1.00 0.00 C ATOM 1265 C TYR B 41 12.956 6.533 0.247 1.00 0.00 C ATOM 1266 O TYR B 41 11.889 6.772 -0.295 1.00 0.00 O ATOM 1267 CB TYR B 41 14.460 5.084 -1.154 1.00 0.00 C ATOM 1268 CG TYR B 41 15.546 5.041 -2.202 1.00 0.00 C ATOM 1269 CD1 TYR B 41 15.291 5.439 -3.508 1.00 0.00 C ATOM 1270 CD2 TYR B 41 16.828 4.616 -1.885 1.00 0.00 C ATOM 1271 CE1 TYR B 41 16.283 5.414 -4.467 1.00 0.00 C ATOM 1272 CE2 TYR B 41 17.826 4.585 -2.840 1.00 0.00 C ATOM 1273 CZ TYR B 41 17.548 4.986 -4.129 1.00 0.00 C ATOM 1274 OH TYR B 41 18.541 4.963 -5.081 1.00 0.00 O ATOM 0 H TYR B 41 15.824 6.263 0.718 1.00 0.00 H new ATOM 0 HA TYR B 41 14.064 7.168 -1.448 1.00 0.00 H new ATOM 0 HB2 TYR B 41 14.729 4.421 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.534 4.701 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR B 41 14.300 5.774 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR B 41 17.050 4.304 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR B 41 16.069 5.728 -5.478 1.00 0.00 H new ATOM 0 HE2 TYR B 41 18.818 4.248 -2.578 1.00 0.00 H new ATOM 0 HH TYR B 41 18.616 4.060 -5.454 1.00 0.00 H new ATOM 1284 N GLU B 42 13.102 6.250 1.561 1.00 0.00 N ATOM 1285 CA GLU B 42 11.989 6.256 2.549 1.00 0.00 C ATOM 1286 C GLU B 42 10.706 6.905 2.018 1.00 0.00 C ATOM 1287 O GLU B 42 9.796 6.190 1.612 1.00 0.00 O ATOM 1288 CB GLU B 42 12.415 6.934 3.858 1.00 0.00 C ATOM 1289 CG GLU B 42 11.347 6.869 4.946 1.00 0.00 C ATOM 1290 CD GLU B 42 11.860 7.252 6.319 1.00 0.00 C ATOM 1291 OE1 GLU B 42 12.700 8.169 6.414 1.00 0.00 O ATOM 1292 OE2 GLU B 42 11.412 6.645 7.315 1.00 0.00 O ATOM 0 H GLU B 42 14.003 6.008 1.974 1.00 0.00 H new ATOM 0 HA GLU B 42 11.760 5.208 2.740 1.00 0.00 H new ATOM 0 HB2 GLU B 42 13.326 6.461 4.224 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.656 7.978 3.657 1.00 0.00 H new ATOM 0 HG2 GLU B 42 10.524 7.531 4.676 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.942 5.858 4.987 1.00 0.00 H new ATOM 1299 N GLU B 43 10.615 8.241 2.116 1.00 0.00 N ATOM 1300 CA GLU B 43 9.473 9.036 1.599 1.00 0.00 C ATOM 1301 C GLU B 43 8.774 8.463 0.348 1.00 0.00 C ATOM 1302 O GLU B 43 7.560 8.632 0.191 1.00 0.00 O ATOM 1303 CB GLU B 43 9.944 10.465 1.312 1.00 0.00 C ATOM 1304 CG GLU B 43 8.827 11.405 0.884 1.00 0.00 C ATOM 1305 CD GLU B 43 9.311 12.818 0.646 1.00 0.00 C ATOM 1306 OE1 GLU B 43 10.288 12.998 -0.114 1.00 0.00 O ATOM 1307 OE2 GLU B 43 8.721 13.755 1.222 1.00 0.00 O ATOM 0 H GLU B 43 11.335 8.811 2.559 1.00 0.00 H new ATOM 0 HA GLU B 43 8.718 9.004 2.385 1.00 0.00 H new ATOM 0 HB2 GLU B 43 10.422 10.867 2.206 1.00 0.00 H new ATOM 0 HB3 GLU B 43 10.703 10.437 0.530 1.00 0.00 H new ATOM 0 HG2 GLU B 43 8.367 11.025 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU B 43 8.053 11.415 1.651 1.00 0.00 H new ATOM 1314 N GLY B 44 9.503 7.766 -0.512 1.00 0.00 N ATOM 1315 CA GLY B 44 8.906 7.211 -1.713 1.00 0.00 C ATOM 1316 C GLY B 44 7.982 6.055 -1.387 1.00 0.00 C ATOM 1317 O GLY B 44 6.934 5.884 -2.006 1.00 0.00 O ATOM 0 H GLY B 44 10.499 7.574 -0.401 1.00 0.00 H new ATOM 0 HA2 GLY B 44 8.349 7.988 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY B 44 9.691 6.872 -2.388 1.00 0.00 H new ATOM 1321 N LEU B 45 8.363 5.282 -0.379 1.00 0.00 N ATOM 1322 CA LEU B 45 7.577 4.140 0.067 1.00 0.00 C ATOM 1323 C LEU B 45 6.615 4.585 1.162 1.00 0.00 C ATOM 1324 O LEU B 45 6.030 3.769 1.865 1.00 0.00 O ATOM 1325 CB LEU B 45 8.482 3.017 0.595 1.00 0.00 C ATOM 1326 CG LEU B 45 9.483 2.435 -0.407 1.00 0.00 C ATOM 1327 CD1 LEU B 45 10.833 3.125 -0.279 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.633 0.937 -0.196 1.00 0.00 C ATOM 0 H LEU B 45 9.222 5.428 0.151 1.00 0.00 H new ATOM 0 HA LEU B 45 7.017 3.752 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.036 3.397 1.453 1.00 0.00 H new ATOM 0 HB3 LEU B 45 7.849 2.207 0.958 1.00 0.00 H new ATOM 0 HG LEU B 45 9.102 2.609 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.530 2.697 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU B 45 10.717 4.191 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU B 45 11.220 2.982 0.730 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.348 0.538 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU B 45 9.992 0.746 0.815 1.00 0.00 H new ATOM 0 HD23 LEU B 45 8.667 0.451 -0.336 1.00 0.00 H new ATOM 1340 N VAL B 46 6.426 5.892 1.262 1.00 0.00 N ATOM 1341 CA VAL B 46 5.538 6.462 2.264 1.00 0.00 C ATOM 1342 C VAL B 46 4.236 6.828 1.588 1.00 0.00 C ATOM 1343 O VAL B 46 3.148 6.653 2.136 1.00 0.00 O ATOM 1344 CB VAL B 46 6.140 7.719 2.934 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.116 8.401 3.830 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.391 7.367 3.725 1.00 0.00 C ATOM 0 H VAL B 46 6.877 6.580 0.659 1.00 0.00 H new ATOM 0 HA VAL B 46 5.383 5.721 3.049 1.00 0.00 H new ATOM 0 HB VAL B 46 6.420 8.416 2.144 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.564 9.282 4.289 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.254 8.701 3.234 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.796 7.709 4.609 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.795 8.268 4.186 1.00 0.00 H new ATOM 0 HG22 VAL B 46 7.140 6.644 4.501 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.136 6.937 3.055 1.00 0.00 H new ATOM 1356 N HIS B 47 4.371 7.300 0.358 1.00 0.00 N ATOM 1357 CA HIS B 47 3.233 7.697 -0.447 1.00 0.00 C ATOM 1358 C HIS B 47 2.438 6.480 -0.919 1.00 0.00 C ATOM 1359 O HIS B 47 1.423 6.622 -1.599 1.00 0.00 O ATOM 1360 CB HIS B 47 3.702 8.506 -1.661 1.00 0.00 C ATOM 1361 CG HIS B 47 4.062 9.929 -1.347 1.00 0.00 C ATOM 1362 ND1 HIS B 47 4.098 10.933 -2.289 1.00 0.00 N ATOM 1363 CD2 HIS B 47 4.381 10.517 -0.163 1.00 0.00 C ATOM 1364 CE1 HIS B 47 4.424 12.071 -1.668 1.00 0.00 C ATOM 1365 NE2 HIS B 47 4.608 11.874 -0.376 1.00 0.00 N ATOM 0 H HIS B 47 5.271 7.417 -0.107 1.00 0.00 H new ATOM 0 HA HIS B 47 2.583 8.314 0.174 1.00 0.00 H new ATOM 0 HB2 HIS B 47 4.568 8.012 -2.101 1.00 0.00 H new ATOM 0 HB3 HIS B 47 2.915 8.499 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS B 47 4.448 10.012 0.790 1.00 0.00 H new ATOM 0 HE1 HIS B 47 4.524 13.027 -2.160 1.00 0.00 H new ATOM 0 HE2 HIS B 47 4.864 12.572 0.322 1.00 0.00 H new ATOM 1373 N ASN B 48 2.909 5.285 -0.565 1.00 0.00 N ATOM 1374 CA ASN B 48 2.233 4.052 -0.966 1.00 0.00 C ATOM 1375 C ASN B 48 1.706 3.279 0.240 1.00 0.00 C ATOM 1376 O ASN B 48 0.995 2.285 0.080 1.00 0.00 O ATOM 1377 CB ASN B 48 3.157 3.140 -1.777 1.00 0.00 C ATOM 1378 CG ASN B 48 3.663 3.770 -3.062 1.00 0.00 C ATOM 1379 OD1 ASN B 48 4.024 4.946 -3.105 1.00 0.00 O ATOM 1380 ND2 ASN B 48 3.677 2.989 -4.125 1.00 0.00 N ATOM 0 H ASN B 48 3.750 5.145 -0.005 1.00 0.00 H new ATOM 0 HA ASN B 48 1.392 4.354 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN B 48 4.011 2.861 -1.159 1.00 0.00 H new ATOM 0 HB3 ASN B 48 2.624 2.220 -2.019 1.00 0.00 H new ATOM 0 HD21 ASN B 48 3.995 3.355 -5.022 1.00 0.00 H new ATOM 0 HD22 ASN B 48 3.370 2.019 -4.049 1.00 0.00 H new ATOM 1387 N GLY B 49 2.053 3.728 1.441 1.00 0.00 N ATOM 1388 CA GLY B 49 1.580 3.061 2.643 1.00 0.00 C ATOM 1389 C GLY B 49 2.555 2.038 3.196 1.00 0.00 C ATOM 1390 O GLY B 49 2.216 1.278 4.097 1.00 0.00 O ATOM 0 H GLY B 49 2.651 4.538 1.605 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.380 3.810 3.409 1.00 0.00 H new ATOM 0 HA3 GLY B 49 0.633 2.567 2.425 1.00 0.00 H new ATOM 1394 N TRP B 50 3.771 2.018 2.677 1.00 0.00 N ATOM 1395 CA TRP B 50 4.777 1.071 3.144 1.00 0.00 C ATOM 1396 C TRP B 50 5.708 1.740 4.148 1.00 0.00 C ATOM 1397 O TRP B 50 6.830 1.290 4.376 1.00 0.00 O ATOM 1398 CB TRP B 50 5.571 0.512 1.963 1.00 0.00 C ATOM 1399 CG TRP B 50 4.749 -0.356 1.063 1.00 0.00 C ATOM 1400 CD1 TRP B 50 4.487 -0.153 -0.261 1.00 0.00 C ATOM 1401 CD2 TRP B 50 4.070 -1.564 1.427 1.00 0.00 C ATOM 1402 NE1 TRP B 50 3.692 -1.162 -0.743 1.00 0.00 N ATOM 1403 CE2 TRP B 50 3.421 -2.041 0.274 1.00 0.00 C ATOM 1404 CE3 TRP B 50 3.951 -2.290 2.614 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 2.663 -3.210 0.275 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 3.198 -3.449 2.614 1.00 0.00 C ATOM 1407 CH2 TRP B 50 2.563 -3.899 1.451 1.00 0.00 C ATOM 0 H TRP B 50 4.088 2.643 1.935 1.00 0.00 H new ATOM 0 HA TRP B 50 4.272 0.243 3.641 1.00 0.00 H new ATOM 0 HB2 TRP B 50 5.982 1.339 1.384 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.416 -0.063 2.341 1.00 0.00 H new ATOM 0 HD1 TRP B 50 4.852 0.680 -0.844 1.00 0.00 H new ATOM 0 HE1 TRP B 50 3.357 -1.245 -1.703 1.00 0.00 H new ATOM 0 HE3 TRP B 50 4.439 -1.952 3.516 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 2.172 -3.559 -0.621 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 3.098 -4.017 3.527 1.00 0.00 H new ATOM 0 HH2 TRP B 50 1.982 -4.809 1.483 1.00 0.00 H new ATOM 1418 N ASP B 51 5.210 2.805 4.763 1.00 0.00 N ATOM 1419 CA ASP B 51 5.967 3.577 5.745 1.00 0.00 C ATOM 1420 C ASP B 51 5.850 2.972 7.137 1.00 0.00 C ATOM 1421 O ASP B 51 5.982 3.670 8.143 1.00 0.00 O ATOM 1422 CB ASP B 51 5.463 5.022 5.777 1.00 0.00 C ATOM 1423 CG ASP B 51 3.982 5.118 6.090 1.00 0.00 C ATOM 1424 OD1 ASP B 51 3.164 4.681 5.255 1.00 0.00 O ATOM 1425 OD2 ASP B 51 3.621 5.631 7.168 1.00 0.00 O ATOM 0 H ASP B 51 4.268 3.160 4.596 1.00 0.00 H new ATOM 0 HA ASP B 51 7.015 3.557 5.447 1.00 0.00 H new ATOM 0 HB2 ASP B 51 6.025 5.582 6.524 1.00 0.00 H new ATOM 0 HB3 ASP B 51 5.658 5.492 4.813 1.00 0.00 H new ATOM 1430 N ASP B 52 5.617 1.674 7.201 1.00 0.00 N ATOM 1431 CA ASP B 52 5.477 1.004 8.481 1.00 0.00 C ATOM 1432 C ASP B 52 6.095 -0.380 8.446 1.00 0.00 C ATOM 1433 O ASP B 52 5.784 -1.187 7.567 1.00 0.00 O ATOM 1434 CB ASP B 52 4.004 0.896 8.874 1.00 0.00 C ATOM 1435 CG ASP B 52 3.667 1.713 10.104 1.00 0.00 C ATOM 1436 OD1 ASP B 52 4.247 1.454 11.173 1.00 0.00 O ATOM 1437 OD2 ASP B 52 2.800 2.608 10.010 1.00 0.00 O ATOM 0 H ASP B 52 5.521 1.066 6.388 1.00 0.00 H new ATOM 0 HA ASP B 52 6.004 1.603 9.224 1.00 0.00 H new ATOM 0 HB2 ASP B 52 3.384 1.228 8.041 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.757 -0.150 9.058 1.00 0.00 H new ATOM 1442 N LEU B 53 6.939 -0.662 9.431 1.00 0.00 N ATOM 1443 CA LEU B 53 7.605 -1.956 9.547 1.00 0.00 C ATOM 1444 C LEU B 53 6.627 -3.012 10.046 1.00 0.00 C ATOM 1445 O LEU B 53 7.021 -4.053 10.570 1.00 0.00 O ATOM 1446 CB LEU B 53 8.797 -1.852 10.501 1.00 0.00 C ATOM 1447 CG LEU B 53 9.955 -0.990 9.998 1.00 0.00 C ATOM 1448 CD1 LEU B 53 10.960 -0.747 11.111 1.00 0.00 C ATOM 1449 CD2 LEU B 53 10.631 -1.651 8.808 1.00 0.00 C ATOM 0 H LEU B 53 7.181 -0.003 10.171 1.00 0.00 H new ATOM 0 HA LEU B 53 7.966 -2.251 8.562 1.00 0.00 H new ATOM 0 HB2 LEU B 53 8.448 -1.447 11.451 1.00 0.00 H new ATOM 0 HB3 LEU B 53 9.172 -2.856 10.701 1.00 0.00 H new ATOM 0 HG LEU B 53 9.555 -0.028 9.678 1.00 0.00 H new ATOM 0 HD11 LEU B 53 11.777 -0.132 10.735 1.00 0.00 H new ATOM 0 HD12 LEU B 53 10.470 -0.233 11.938 1.00 0.00 H new ATOM 0 HD13 LEU B 53 11.355 -1.701 11.460 1.00 0.00 H new ATOM 0 HD21 LEU B 53 11.453 -1.024 8.462 1.00 0.00 H new ATOM 0 HD22 LEU B 53 11.018 -2.626 9.105 1.00 0.00 H new ATOM 0 HD23 LEU B 53 9.908 -1.777 8.003 1.00 0.00 H new ATOM 1461 N GLU B 54 5.346 -2.724 9.878 1.00 0.00 N ATOM 1462 CA GLU B 54 4.287 -3.618 10.288 1.00 0.00 C ATOM 1463 C GLU B 54 3.944 -4.551 9.140 1.00 0.00 C ATOM 1464 O GLU B 54 3.721 -5.741 9.333 1.00 0.00 O ATOM 1465 CB GLU B 54 3.046 -2.816 10.699 1.00 0.00 C ATOM 1466 CG GLU B 54 3.336 -1.707 11.698 1.00 0.00 C ATOM 1467 CD GLU B 54 4.080 -2.202 12.923 1.00 0.00 C ATOM 1468 OE1 GLU B 54 3.476 -2.926 13.739 1.00 0.00 O ATOM 1469 OE2 GLU B 54 5.274 -1.874 13.073 1.00 0.00 O ATOM 0 H GLU B 54 5.015 -1.859 9.451 1.00 0.00 H new ATOM 0 HA GLU B 54 4.622 -4.203 11.144 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.595 -2.381 9.808 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.311 -3.496 11.129 1.00 0.00 H new ATOM 0 HG2 GLU B 54 3.924 -0.929 11.211 1.00 0.00 H new ATOM 0 HG3 GLU B 54 2.397 -1.249 12.009 1.00 0.00 H new ATOM 1476 N PHE B 55 3.923 -3.994 7.934 1.00 0.00 N ATOM 1477 CA PHE B 55 3.602 -4.769 6.746 1.00 0.00 C ATOM 1478 C PHE B 55 4.706 -4.662 5.693 1.00 0.00 C ATOM 1479 O PHE B 55 4.738 -5.438 4.740 1.00 0.00 O ATOM 1480 CB PHE B 55 2.256 -4.319 6.175 1.00 0.00 C ATOM 1481 CG PHE B 55 1.093 -4.725 7.038 1.00 0.00 C ATOM 1482 CD1 PHE B 55 0.645 -6.037 7.043 1.00 0.00 C ATOM 1483 CD2 PHE B 55 0.452 -3.800 7.850 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -0.416 -6.420 7.842 1.00 0.00 C ATOM 1485 CE2 PHE B 55 -0.611 -4.178 8.649 1.00 0.00 C ATOM 1486 CZ PHE B 55 -1.046 -5.489 8.644 1.00 0.00 C ATOM 0 H PHE B 55 4.124 -3.010 7.756 1.00 0.00 H new ATOM 0 HA PHE B 55 3.529 -5.818 7.032 1.00 0.00 H new ATOM 0 HB2 PHE B 55 2.258 -3.235 6.062 1.00 0.00 H new ATOM 0 HB3 PHE B 55 2.129 -4.743 5.179 1.00 0.00 H new ATOM 0 HD1 PHE B 55 1.131 -6.769 6.415 1.00 0.00 H new ATOM 0 HD2 PHE B 55 0.787 -2.773 7.858 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.752 -7.446 7.839 1.00 0.00 H new ATOM 0 HE2 PHE B 55 -1.101 -3.449 9.277 1.00 0.00 H new ATOM 0 HZ PHE B 55 -1.877 -5.785 9.266 1.00 0.00 H new ATOM 1496 N LEU B 56 5.623 -3.711 5.877 1.00 0.00 N ATOM 1497 CA LEU B 56 6.734 -3.534 4.940 1.00 0.00 C ATOM 1498 C LEU B 56 7.689 -4.718 5.040 1.00 0.00 C ATOM 1499 O LEU B 56 8.408 -5.041 4.099 1.00 0.00 O ATOM 1500 CB LEU B 56 7.488 -2.228 5.226 1.00 0.00 C ATOM 1501 CG LEU B 56 8.778 -2.026 4.421 1.00 0.00 C ATOM 1502 CD1 LEU B 56 8.463 -1.712 2.966 1.00 0.00 C ATOM 1503 CD2 LEU B 56 9.623 -0.919 5.033 1.00 0.00 C ATOM 0 H LEU B 56 5.619 -3.056 6.659 1.00 0.00 H new ATOM 0 HA LEU B 56 6.328 -3.481 3.930 1.00 0.00 H new ATOM 0 HB2 LEU B 56 6.820 -1.391 5.026 1.00 0.00 H new ATOM 0 HB3 LEU B 56 7.733 -2.194 6.288 1.00 0.00 H new ATOM 0 HG LEU B 56 9.348 -2.955 4.455 1.00 0.00 H new ATOM 0 HD11 LEU B 56 9.393 -1.573 2.414 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.902 -2.538 2.529 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.868 -0.800 2.911 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.534 -0.791 4.448 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.057 0.013 5.033 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.884 -1.185 6.057 1.00 0.00 H new ATOM 1515 N SER B 57 7.657 -5.376 6.189 1.00 0.00 N ATOM 1516 CA SER B 57 8.503 -6.527 6.459 1.00 0.00 C ATOM 1517 C SER B 57 8.060 -7.748 5.651 1.00 0.00 C ATOM 1518 O SER B 57 8.761 -8.760 5.598 1.00 0.00 O ATOM 1519 CB SER B 57 8.444 -6.823 7.952 1.00 0.00 C ATOM 1520 OG SER B 57 7.453 -6.010 8.569 1.00 0.00 O ATOM 0 H SER B 57 7.041 -5.125 6.963 1.00 0.00 H new ATOM 0 HA SER B 57 9.526 -6.301 6.160 1.00 0.00 H new ATOM 0 HB2 SER B 57 8.215 -7.876 8.114 1.00 0.00 H new ATOM 0 HB3 SER B 57 9.416 -6.635 8.407 1.00 0.00 H new ATOM 0 HG SER B 57 7.867 -5.465 9.270 1.00 0.00 H new ATOM 1526 N ASP B 58 6.892 -7.650 5.027 1.00 0.00 N ATOM 1527 CA ASP B 58 6.364 -8.741 4.220 1.00 0.00 C ATOM 1528 C ASP B 58 5.963 -8.223 2.845 1.00 0.00 C ATOM 1529 O ASP B 58 5.051 -8.745 2.205 1.00 0.00 O ATOM 1530 CB ASP B 58 5.167 -9.395 4.916 1.00 0.00 C ATOM 1531 CG ASP B 58 5.047 -10.869 4.581 1.00 0.00 C ATOM 1532 OD1 ASP B 58 6.030 -11.612 4.797 1.00 0.00 O ATOM 1533 OD2 ASP B 58 3.975 -11.293 4.101 1.00 0.00 O ATOM 0 H ASP B 58 6.293 -6.825 5.065 1.00 0.00 H new ATOM 0 HA ASP B 58 7.141 -9.495 4.099 1.00 0.00 H new ATOM 0 HB2 ASP B 58 5.266 -9.276 5.995 1.00 0.00 H new ATOM 0 HB3 ASP B 58 4.252 -8.881 4.621 1.00 0.00 H new ATOM 1538 N ILE B 59 6.661 -7.186 2.400 1.00 0.00 N ATOM 1539 CA ILE B 59 6.397 -6.579 1.103 1.00 0.00 C ATOM 1540 C ILE B 59 6.847 -7.507 -0.027 1.00 0.00 C ATOM 1541 O ILE B 59 7.760 -8.320 0.147 1.00 0.00 O ATOM 1542 CB ILE B 59 7.103 -5.206 0.978 1.00 0.00 C ATOM 1543 CG1 ILE B 59 6.592 -4.439 -0.245 1.00 0.00 C ATOM 1544 CG2 ILE B 59 8.616 -5.381 0.907 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.156 -3.040 -0.359 1.00 0.00 C ATOM 0 H ILE B 59 7.419 -6.746 2.922 1.00 0.00 H new ATOM 0 HA ILE B 59 5.322 -6.421 1.021 1.00 0.00 H new ATOM 0 HB ILE B 59 6.867 -4.623 1.868 1.00 0.00 H new ATOM 0 HG12 ILE B 59 6.844 -4.998 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE B 59 5.504 -4.381 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE B 59 9.092 -4.404 0.819 1.00 0.00 H new ATOM 0 HG22 ILE B 59 8.968 -5.876 1.812 1.00 0.00 H new ATOM 0 HG23 ILE B 59 8.872 -5.988 0.039 1.00 0.00 H new ATOM 0 HD11 ILE B 59 6.751 -2.556 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE B 59 6.882 -2.464 0.525 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.242 -3.091 -0.437 1.00 0.00 H new ATOM 1557 N THR B 60 6.191 -7.403 -1.172 1.00 0.00 N ATOM 1558 CA THR B 60 6.526 -8.232 -2.317 1.00 0.00 C ATOM 1559 C THR B 60 7.272 -7.408 -3.360 1.00 0.00 C ATOM 1560 O THR B 60 7.317 -6.179 -3.270 1.00 0.00 O ATOM 1561 CB THR B 60 5.261 -8.843 -2.964 1.00 0.00 C ATOM 1562 OG1 THR B 60 4.704 -7.926 -3.917 1.00 0.00 O ATOM 1563 CG2 THR B 60 4.213 -9.177 -1.910 1.00 0.00 C ATOM 0 H THR B 60 5.423 -6.752 -1.332 1.00 0.00 H new ATOM 0 HA THR B 60 7.160 -9.044 -1.961 1.00 0.00 H new ATOM 0 HB THR B 60 5.553 -9.764 -3.468 1.00 0.00 H new ATOM 0 HG1 THR B 60 3.781 -7.712 -3.665 1.00 0.00 H new ATOM 0 HG21 THR B 60 3.335 -9.605 -2.393 1.00 0.00 H new ATOM 0 HG22 THR B 60 4.625 -9.897 -1.203 1.00 0.00 H new ATOM 0 HG23 THR B 60 3.929 -8.269 -1.379 1.00 0.00 H new ATOM 1571 N GLU B 61 7.850 -8.078 -4.350 1.00 0.00 N ATOM 1572 CA GLU B 61 8.573 -7.386 -5.409 1.00 0.00 C ATOM 1573 C GLU B 61 7.608 -6.584 -6.281 1.00 0.00 C ATOM 1574 O GLU B 61 8.001 -5.612 -6.927 1.00 0.00 O ATOM 1575 CB GLU B 61 9.363 -8.378 -6.265 1.00 0.00 C ATOM 1576 CG GLU B 61 10.527 -9.025 -5.531 1.00 0.00 C ATOM 1577 CD GLU B 61 11.323 -9.959 -6.417 1.00 0.00 C ATOM 1578 OE1 GLU B 61 11.933 -9.482 -7.395 1.00 0.00 O ATOM 1579 OE2 GLU B 61 11.336 -11.176 -6.150 1.00 0.00 O ATOM 0 H GLU B 61 7.832 -9.094 -4.441 1.00 0.00 H new ATOM 0 HA GLU B 61 9.278 -6.696 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.688 -9.158 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU B 61 9.742 -7.862 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU B 61 11.185 -8.248 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU B 61 10.148 -9.579 -4.672 1.00 0.00 H new ATOM 1586 N GLU B 62 6.341 -6.992 -6.286 1.00 0.00 N ATOM 1587 CA GLU B 62 5.318 -6.308 -7.066 1.00 0.00 C ATOM 1588 C GLU B 62 4.948 -4.993 -6.403 1.00 0.00 C ATOM 1589 O GLU B 62 4.850 -3.957 -7.053 1.00 0.00 O ATOM 1590 CB GLU B 62 4.060 -7.163 -7.192 1.00 0.00 C ATOM 1591 CG GLU B 62 4.220 -8.384 -8.074 1.00 0.00 C ATOM 1592 CD GLU B 62 2.886 -9.000 -8.432 1.00 0.00 C ATOM 1593 OE1 GLU B 62 2.228 -9.578 -7.541 1.00 0.00 O ATOM 1594 OE2 GLU B 62 2.485 -8.907 -9.608 1.00 0.00 O ATOM 0 H GLU B 62 6.000 -7.795 -5.757 1.00 0.00 H new ATOM 0 HA GLU B 62 5.727 -6.125 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU B 62 3.754 -7.486 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.254 -6.546 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU B 62 4.748 -8.106 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU B 62 4.836 -9.124 -7.562 1.00 0.00 H new ATOM 1601 N ASP B 63 4.751 -5.051 -5.096 1.00 0.00 N ATOM 1602 CA ASP B 63 4.375 -3.877 -4.313 1.00 0.00 C ATOM 1603 C ASP B 63 5.573 -2.958 -4.064 1.00 0.00 C ATOM 1604 O ASP B 63 5.528 -2.087 -3.195 1.00 0.00 O ATOM 1605 CB ASP B 63 3.763 -4.312 -2.973 1.00 0.00 C ATOM 1606 CG ASP B 63 2.536 -5.199 -3.128 1.00 0.00 C ATOM 1607 OD1 ASP B 63 2.707 -6.422 -3.337 1.00 0.00 O ATOM 1608 OD2 ASP B 63 1.403 -4.681 -3.025 1.00 0.00 O ATOM 0 H ASP B 63 4.846 -5.906 -4.547 1.00 0.00 H new ATOM 0 HA ASP B 63 3.637 -3.317 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP B 63 4.517 -4.845 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP B 63 3.491 -3.425 -2.401 1.00 0.00 H new ATOM 1613 N LEU B 64 6.640 -3.145 -4.833 1.00 0.00 N ATOM 1614 CA LEU B 64 7.838 -2.324 -4.696 1.00 0.00 C ATOM 1615 C LEU B 64 7.930 -1.282 -5.807 1.00 0.00 C ATOM 1616 O LEU B 64 8.066 -0.089 -5.537 1.00 0.00 O ATOM 1617 CB LEU B 64 9.097 -3.193 -4.717 1.00 0.00 C ATOM 1618 CG LEU B 64 9.585 -3.689 -3.352 1.00 0.00 C ATOM 1619 CD1 LEU B 64 10.800 -4.587 -3.513 1.00 0.00 C ATOM 1620 CD2 LEU B 64 9.920 -2.519 -2.441 1.00 0.00 C ATOM 0 H LEU B 64 6.700 -3.859 -5.559 1.00 0.00 H new ATOM 0 HA LEU B 64 7.767 -1.810 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU B 64 8.908 -4.059 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU B 64 9.901 -2.625 -5.185 1.00 0.00 H new ATOM 0 HG LEU B 64 8.780 -4.265 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.132 -4.929 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU B 64 10.537 -5.448 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU B 64 11.604 -4.029 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.264 -2.895 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.705 -1.916 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.031 -1.906 -2.294 1.00 0.00 H new ATOM 1632 N GLU B 65 7.887 -1.752 -7.055 1.00 0.00 N ATOM 1633 CA GLU B 65 7.975 -0.888 -8.244 1.00 0.00 C ATOM 1634 C GLU B 65 7.078 0.354 -8.172 1.00 0.00 C ATOM 1635 O GLU B 65 7.430 1.413 -8.693 1.00 0.00 O ATOM 1636 CB GLU B 65 7.650 -1.701 -9.506 1.00 0.00 C ATOM 1637 CG GLU B 65 6.332 -2.470 -9.447 1.00 0.00 C ATOM 1638 CD GLU B 65 5.131 -1.629 -9.845 1.00 0.00 C ATOM 1639 OE1 GLU B 65 5.192 -0.971 -10.905 1.00 0.00 O ATOM 1640 OE2 GLU B 65 4.127 -1.625 -9.097 1.00 0.00 O ATOM 0 H GLU B 65 7.790 -2.743 -7.275 1.00 0.00 H new ATOM 0 HA GLU B 65 9.001 -0.521 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU B 65 7.623 -1.025 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU B 65 8.460 -2.408 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU B 65 6.395 -3.337 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU B 65 6.184 -2.848 -8.435 1.00 0.00 H new ATOM 1647 N GLU B 66 5.937 0.221 -7.522 1.00 0.00 N ATOM 1648 CA GLU B 66 4.980 1.316 -7.386 1.00 0.00 C ATOM 1649 C GLU B 66 5.552 2.494 -6.601 1.00 0.00 C ATOM 1650 O GLU B 66 5.151 3.639 -6.804 1.00 0.00 O ATOM 1651 CB GLU B 66 3.731 0.803 -6.690 1.00 0.00 C ATOM 1652 CG GLU B 66 4.039 -0.195 -5.594 1.00 0.00 C ATOM 1653 CD GLU B 66 2.864 -0.429 -4.691 1.00 0.00 C ATOM 1654 OE1 GLU B 66 2.628 0.406 -3.798 1.00 0.00 O ATOM 1655 OE2 GLU B 66 2.168 -1.446 -4.877 1.00 0.00 O ATOM 0 H GLU B 66 5.643 -0.646 -7.072 1.00 0.00 H new ATOM 0 HA GLU B 66 4.744 1.676 -8.387 1.00 0.00 H new ATOM 0 HB2 GLU B 66 3.185 1.645 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU B 66 3.076 0.337 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU B 66 4.344 -1.141 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU B 66 4.882 0.165 -5.004 1.00 0.00 H new ATOM 1662 N ALA B 67 6.479 2.208 -5.697 1.00 0.00 N ATOM 1663 CA ALA B 67 7.095 3.245 -4.881 1.00 0.00 C ATOM 1664 C ALA B 67 8.298 3.847 -5.597 1.00 0.00 C ATOM 1665 O ALA B 67 9.019 4.678 -5.046 1.00 0.00 O ATOM 1666 CB ALA B 67 7.508 2.670 -3.535 1.00 0.00 C ATOM 0 H ALA B 67 6.821 1.265 -5.510 1.00 0.00 H new ATOM 0 HA ALA B 67 6.367 4.039 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA B 67 7.968 3.452 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA B 67 6.629 2.283 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA B 67 8.224 1.862 -3.689 1.00 0.00 H new ATOM 1672 N GLY B 68 8.506 3.415 -6.833 1.00 0.00 N ATOM 1673 CA GLY B 68 9.621 3.902 -7.615 1.00 0.00 C ATOM 1674 C GLY B 68 10.748 2.900 -7.647 1.00 0.00 C ATOM 1675 O GLY B 68 11.670 3.003 -8.456 1.00 0.00 O ATOM 0 H GLY B 68 7.917 2.732 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY B 68 9.290 4.113 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY B 68 9.979 4.842 -7.195 1.00 0.00 H new ATOM 1679 N VAL B 69 10.656 1.911 -6.773 1.00 0.00 N ATOM 1680 CA VAL B 69 11.664 0.869 -6.679 1.00 0.00 C ATOM 1681 C VAL B 69 11.409 -0.197 -7.741 1.00 0.00 C ATOM 1682 O VAL B 69 11.086 -1.339 -7.429 1.00 0.00 O ATOM 1683 CB VAL B 69 11.665 0.214 -5.277 1.00 0.00 C ATOM 1684 CG1 VAL B 69 12.983 -0.494 -5.012 1.00 0.00 C ATOM 1685 CG2 VAL B 69 11.393 1.251 -4.194 1.00 0.00 C ATOM 0 H VAL B 69 9.885 1.808 -6.113 1.00 0.00 H new ATOM 0 HA VAL B 69 12.639 1.327 -6.844 1.00 0.00 H new ATOM 0 HB VAL B 69 10.866 -0.527 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL B 69 12.960 -0.947 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.136 -1.270 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.800 0.226 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL B 69 11.399 0.767 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL B 69 12.166 2.019 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL B 69 10.419 1.710 -4.366 1.00 0.00 H new ATOM 1695 N GLN B 70 11.528 0.195 -9.002 1.00 0.00 N ATOM 1696 CA GLN B 70 11.294 -0.726 -10.111 1.00 0.00 C ATOM 1697 C GLN B 70 12.581 -1.437 -10.518 1.00 0.00 C ATOM 1698 O GLN B 70 12.545 -2.569 -11.003 1.00 0.00 O ATOM 1699 CB GLN B 70 10.711 0.025 -11.315 1.00 0.00 C ATOM 1700 CG GLN B 70 9.683 1.083 -10.944 1.00 0.00 C ATOM 1701 CD GLN B 70 8.934 1.618 -12.147 1.00 0.00 C ATOM 1702 OE1 GLN B 70 9.408 2.524 -12.834 1.00 0.00 O ATOM 1703 NE2 GLN B 70 7.755 1.071 -12.407 1.00 0.00 N ATOM 0 H GLN B 70 11.784 1.141 -9.284 1.00 0.00 H new ATOM 0 HA GLN B 70 10.578 -1.477 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN B 70 11.525 0.500 -11.863 1.00 0.00 H new ATOM 0 HB3 GLN B 70 10.249 -0.695 -11.991 1.00 0.00 H new ATOM 0 HG2 GLN B 70 8.970 0.659 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN B 70 10.183 1.908 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN B 70 7.398 0.322 -11.813 1.00 0.00 H new ATOM 0 HE22 GLN B 70 7.205 1.399 -13.201 1.00 0.00 H new ATOM 1712 N ASP B 71 13.708 -0.773 -10.292 1.00 0.00 N ATOM 1713 CA ASP B 71 15.022 -1.310 -10.649 1.00 0.00 C ATOM 1714 C ASP B 71 15.303 -2.648 -9.954 1.00 0.00 C ATOM 1715 O ASP B 71 15.010 -2.816 -8.768 1.00 0.00 O ATOM 1716 CB ASP B 71 16.108 -0.286 -10.304 1.00 0.00 C ATOM 1717 CG ASP B 71 17.507 -0.858 -10.395 1.00 0.00 C ATOM 1718 OD1 ASP B 71 18.057 -0.923 -11.512 1.00 0.00 O ATOM 1719 OD2 ASP B 71 18.061 -1.239 -9.345 1.00 0.00 O ATOM 0 H ASP B 71 13.741 0.149 -9.858 1.00 0.00 H new ATOM 0 HA ASP B 71 15.029 -1.500 -11.722 1.00 0.00 H new ATOM 0 HB2 ASP B 71 16.025 0.566 -10.979 1.00 0.00 H new ATOM 0 HB3 ASP B 71 15.939 0.089 -9.295 1.00 0.00 H new ATOM 1724 N PRO B 72 15.865 -3.620 -10.702 1.00 0.00 N ATOM 1725 CA PRO B 72 16.188 -4.962 -10.188 1.00 0.00 C ATOM 1726 C PRO B 72 17.115 -4.948 -8.970 1.00 0.00 C ATOM 1727 O PRO B 72 16.852 -5.632 -7.978 1.00 0.00 O ATOM 1728 CB PRO B 72 16.884 -5.651 -11.372 1.00 0.00 C ATOM 1729 CG PRO B 72 17.263 -4.553 -12.305 1.00 0.00 C ATOM 1730 CD PRO B 72 16.221 -3.490 -12.125 1.00 0.00 C ATOM 0 HA PRO B 72 15.287 -5.468 -9.841 1.00 0.00 H new ATOM 0 HB2 PRO B 72 17.762 -6.206 -11.042 1.00 0.00 H new ATOM 0 HB3 PRO B 72 16.219 -6.366 -11.857 1.00 0.00 H new ATOM 0 HG2 PRO B 72 18.257 -4.170 -12.075 1.00 0.00 H new ATOM 0 HG3 PRO B 72 17.288 -4.906 -13.336 1.00 0.00 H new ATOM 0 HD2 PRO B 72 16.611 -2.498 -12.356 1.00 0.00 H new ATOM 0 HD3 PRO B 72 15.360 -3.653 -12.774 1.00 0.00 H new ATOM 1738 N ALA B 73 18.184 -4.158 -9.038 1.00 0.00 N ATOM 1739 CA ALA B 73 19.153 -4.083 -7.946 1.00 0.00 C ATOM 1740 C ALA B 73 18.520 -3.511 -6.686 1.00 0.00 C ATOM 1741 O ALA B 73 18.767 -3.992 -5.581 1.00 0.00 O ATOM 1742 CB ALA B 73 20.359 -3.250 -8.357 1.00 0.00 C ATOM 0 H ALA B 73 18.401 -3.561 -9.836 1.00 0.00 H new ATOM 0 HA ALA B 73 19.486 -5.097 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA B 73 21.069 -3.206 -7.531 1.00 0.00 H new ATOM 0 HB2 ALA B 73 20.838 -3.706 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA B 73 20.035 -2.241 -8.611 1.00 0.00 H new ATOM 1748 N HIS B 74 17.694 -2.494 -6.865 1.00 0.00 N ATOM 1749 CA HIS B 74 17.023 -1.845 -5.749 1.00 0.00 C ATOM 1750 C HIS B 74 16.026 -2.789 -5.082 1.00 0.00 C ATOM 1751 O HIS B 74 15.962 -2.865 -3.853 1.00 0.00 O ATOM 1752 CB HIS B 74 16.324 -0.570 -6.216 1.00 0.00 C ATOM 1753 CG HIS B 74 17.265 0.575 -6.434 1.00 0.00 C ATOM 1754 ND1 HIS B 74 18.152 0.653 -7.483 1.00 0.00 N ATOM 1755 CD2 HIS B 74 17.455 1.700 -5.701 1.00 0.00 C ATOM 1756 CE1 HIS B 74 18.838 1.793 -7.361 1.00 0.00 C ATOM 1757 NE2 HIS B 74 18.453 2.467 -6.294 1.00 0.00 N ATOM 0 H HIS B 74 17.470 -2.097 -7.778 1.00 0.00 H new ATOM 0 HA HIS B 74 17.778 -1.578 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS B 74 15.791 -0.775 -7.144 1.00 0.00 H new ATOM 0 HB3 HIS B 74 15.577 -0.282 -5.477 1.00 0.00 H new ATOM 0 HD1 HIS B 74 18.266 -0.039 -8.224 1.00 0.00 H new ATOM 0 HD2 HIS B 74 16.918 1.959 -4.801 1.00 0.00 H new ATOM 0 HE1 HIS B 74 19.607 2.120 -8.046 1.00 0.00 H new ATOM 1765 N LYS B 75 15.255 -3.511 -5.890 1.00 0.00 N ATOM 1766 CA LYS B 75 14.277 -4.458 -5.360 1.00 0.00 C ATOM 1767 C LYS B 75 14.988 -5.555 -4.576 1.00 0.00 C ATOM 1768 O LYS B 75 14.590 -5.900 -3.463 1.00 0.00 O ATOM 1769 CB LYS B 75 13.440 -5.075 -6.488 1.00 0.00 C ATOM 1770 CG LYS B 75 12.552 -4.071 -7.211 1.00 0.00 C ATOM 1771 CD LYS B 75 11.203 -4.666 -7.594 1.00 0.00 C ATOM 1772 CE LYS B 75 11.345 -5.841 -8.548 1.00 0.00 C ATOM 1773 NZ LYS B 75 11.881 -5.429 -9.876 1.00 0.00 N ATOM 0 H LYS B 75 15.287 -3.460 -6.908 1.00 0.00 H new ATOM 0 HA LYS B 75 13.604 -3.918 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS B 75 14.109 -5.542 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS B 75 12.816 -5.867 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS B 75 12.395 -3.201 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS B 75 13.060 -3.720 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS B 75 10.682 -4.992 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS B 75 10.586 -3.896 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS B 75 12.007 -6.586 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS B 75 10.374 -6.317 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 11.223 -5.728 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 11.988 -4.395 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 12.807 -5.876 -10.031 1.00 0.00 H new ATOM 1787 N ARG B 76 16.048 -6.091 -5.170 1.00 0.00 N ATOM 1788 CA ARG B 76 16.847 -7.136 -4.542 1.00 0.00 C ATOM 1789 C ARG B 76 17.477 -6.633 -3.243 1.00 0.00 C ATOM 1790 O ARG B 76 17.596 -7.380 -2.271 1.00 0.00 O ATOM 1791 CB ARG B 76 17.938 -7.599 -5.518 1.00 0.00 C ATOM 1792 CG ARG B 76 18.931 -8.590 -4.930 1.00 0.00 C ATOM 1793 CD ARG B 76 18.320 -9.972 -4.768 1.00 0.00 C ATOM 1794 NE ARG B 76 19.343 -10.998 -4.573 1.00 0.00 N ATOM 1795 CZ ARG B 76 19.166 -12.111 -3.864 1.00 0.00 C ATOM 1796 NH1 ARG B 76 18.000 -12.355 -3.278 1.00 0.00 N ATOM 1797 NH2 ARG B 76 20.160 -12.979 -3.747 1.00 0.00 N ATOM 0 H ARG B 76 16.376 -5.815 -6.095 1.00 0.00 H new ATOM 0 HA ARG B 76 16.198 -7.977 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG B 76 17.462 -8.053 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG B 76 18.484 -6.725 -5.874 1.00 0.00 H new ATOM 0 HG2 ARG B 76 19.807 -8.653 -5.576 1.00 0.00 H new ATOM 0 HG3 ARG B 76 19.275 -8.229 -3.961 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.639 -9.971 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG B 76 17.727 -10.213 -5.650 1.00 0.00 H new ATOM 0 HE ARG B 76 20.253 -10.851 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG B 76 17.234 -11.688 -3.370 1.00 0.00 H new ATOM 0 HH12 ARG B 76 17.870 -13.209 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG B 76 21.055 -12.793 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG B 76 20.030 -13.833 -3.205 1.00 0.00 H new ATOM 1811 N LEU B 77 17.858 -5.362 -3.231 1.00 0.00 N ATOM 1812 CA LEU B 77 18.482 -4.754 -2.061 1.00 0.00 C ATOM 1813 C LEU B 77 17.505 -4.709 -0.891 1.00 0.00 C ATOM 1814 O LEU B 77 17.848 -5.087 0.228 1.00 0.00 O ATOM 1815 CB LEU B 77 18.968 -3.339 -2.398 1.00 0.00 C ATOM 1816 CG LEU B 77 20.236 -2.867 -1.670 1.00 0.00 C ATOM 1817 CD1 LEU B 77 19.931 -2.480 -0.233 1.00 0.00 C ATOM 1818 CD2 LEU B 77 21.310 -3.942 -1.708 1.00 0.00 C ATOM 0 H LEU B 77 17.745 -4.729 -4.023 1.00 0.00 H new ATOM 0 HA LEU B 77 19.338 -5.364 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU B 77 19.149 -3.285 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU B 77 18.164 -2.638 -2.175 1.00 0.00 H new ATOM 0 HG LEU B 77 20.607 -1.984 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU B 77 20.847 -2.150 0.257 1.00 0.00 H new ATOM 0 HD12 LEU B 77 19.201 -1.670 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU B 77 19.526 -3.341 0.298 1.00 0.00 H new ATOM 0 HD21 LEU B 77 22.199 -3.587 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU B 77 20.940 -4.844 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU B 77 21.563 -4.167 -2.744 1.00 0.00 H new ATOM 1830 N LEU B 78 16.281 -4.265 -1.162 1.00 0.00 N ATOM 1831 CA LEU B 78 15.261 -4.164 -0.124 1.00 0.00 C ATOM 1832 C LEU B 78 14.893 -5.545 0.412 1.00 0.00 C ATOM 1833 O LEU B 78 14.655 -5.711 1.610 1.00 0.00 O ATOM 1834 CB LEU B 78 14.018 -3.449 -0.657 1.00 0.00 C ATOM 1835 CG LEU B 78 13.158 -2.765 0.410 1.00 0.00 C ATOM 1836 CD1 LEU B 78 12.661 -1.417 -0.088 1.00 0.00 C ATOM 1837 CD2 LEU B 78 11.987 -3.653 0.806 1.00 0.00 C ATOM 0 H LEU B 78 15.972 -3.970 -2.088 1.00 0.00 H new ATOM 0 HA LEU B 78 15.672 -3.577 0.697 1.00 0.00 H new ATOM 0 HB2 LEU B 78 14.332 -2.700 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU B 78 13.401 -4.173 -1.190 1.00 0.00 H new ATOM 0 HG LEU B 78 13.776 -2.599 1.293 1.00 0.00 H new ATOM 0 HD11 LEU B 78 12.052 -0.946 0.684 1.00 0.00 H new ATOM 0 HD12 LEU B 78 13.513 -0.777 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU B 78 12.061 -1.560 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU B 78 11.389 -3.149 1.565 1.00 0.00 H new ATOM 0 HD22 LEU B 78 11.369 -3.853 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.363 -4.594 1.207 1.00 0.00 H new ATOM 1849 N LEU B 79 14.857 -6.538 -0.472 1.00 0.00 N ATOM 1850 CA LEU B 79 14.534 -7.903 -0.070 1.00 0.00 C ATOM 1851 C LEU B 79 15.626 -8.452 0.842 1.00 0.00 C ATOM 1852 O LEU B 79 15.367 -9.274 1.722 1.00 0.00 O ATOM 1853 CB LEU B 79 14.366 -8.800 -1.299 1.00 0.00 C ATOM 1854 CG LEU B 79 12.918 -9.134 -1.670 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.128 -7.869 -1.971 1.00 0.00 C ATOM 1856 CD2 LEU B 79 12.882 -10.080 -2.859 1.00 0.00 C ATOM 0 H LEU B 79 15.047 -6.424 -1.468 1.00 0.00 H new ATOM 0 HA LEU B 79 13.591 -7.891 0.477 1.00 0.00 H new ATOM 0 HB2 LEU B 79 14.840 -8.313 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU B 79 14.904 -9.732 -1.125 1.00 0.00 H new ATOM 0 HG LEU B 79 12.453 -9.628 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.103 -8.133 -2.232 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.124 -7.225 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU B 79 12.590 -7.341 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.846 -10.308 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU B 79 13.368 -9.609 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.406 -11.002 -2.606 1.00 0.00 H new ATOM 1868 N ASP B 80 16.849 -7.983 0.624 1.00 0.00 N ATOM 1869 CA ASP B 80 17.991 -8.393 1.430 1.00 0.00 C ATOM 1870 C ASP B 80 17.852 -7.834 2.841 1.00 0.00 C ATOM 1871 O ASP B 80 18.124 -8.515 3.832 1.00 0.00 O ATOM 1872 CB ASP B 80 19.290 -7.894 0.783 1.00 0.00 C ATOM 1873 CG ASP B 80 20.499 -8.017 1.690 1.00 0.00 C ATOM 1874 OD1 ASP B 80 21.010 -9.144 1.856 1.00 0.00 O ATOM 1875 OD2 ASP B 80 20.964 -6.983 2.213 1.00 0.00 O ATOM 0 H ASP B 80 17.075 -7.313 -0.111 1.00 0.00 H new ATOM 0 HA ASP B 80 18.023 -9.481 1.485 1.00 0.00 H new ATOM 0 HB2 ASP B 80 19.472 -8.458 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP B 80 19.166 -6.850 0.494 1.00 0.00 H new ATOM 1880 N THR B 81 17.372 -6.600 2.921 1.00 0.00 N ATOM 1881 CA THR B 81 17.182 -5.917 4.193 1.00 0.00 C ATOM 1882 C THR B 81 16.123 -6.607 5.052 1.00 0.00 C ATOM 1883 O THR B 81 16.171 -6.544 6.282 1.00 0.00 O ATOM 1884 CB THR B 81 16.768 -4.458 3.962 1.00 0.00 C ATOM 1885 OG1 THR B 81 17.410 -3.963 2.784 1.00 0.00 O ATOM 1886 CG2 THR B 81 17.139 -3.588 5.153 1.00 0.00 C ATOM 0 H THR B 81 17.104 -6.046 2.108 1.00 0.00 H new ATOM 0 HA THR B 81 18.135 -5.952 4.722 1.00 0.00 H new ATOM 0 HB THR B 81 15.686 -4.421 3.838 1.00 0.00 H new ATOM 0 HG1 THR B 81 18.264 -4.427 2.657 1.00 0.00 H new ATOM 0 HG21 THR B 81 16.834 -2.559 4.961 1.00 0.00 H new ATOM 0 HG22 THR B 81 16.632 -3.957 6.045 1.00 0.00 H new ATOM 0 HG23 THR B 81 18.217 -3.624 5.308 1.00 0.00 H new ATOM 1894 N LEU B 82 15.190 -7.293 4.397 1.00 0.00 N ATOM 1895 CA LEU B 82 14.114 -7.989 5.097 1.00 0.00 C ATOM 1896 C LEU B 82 14.667 -9.096 5.983 1.00 0.00 C ATOM 1897 O LEU B 82 14.056 -9.467 6.983 1.00 0.00 O ATOM 1898 CB LEU B 82 13.116 -8.583 4.099 1.00 0.00 C ATOM 1899 CG LEU B 82 12.273 -7.570 3.322 1.00 0.00 C ATOM 1900 CD1 LEU B 82 11.434 -8.274 2.269 1.00 0.00 C ATOM 1901 CD2 LEU B 82 11.379 -6.785 4.267 1.00 0.00 C ATOM 0 H LEU B 82 15.157 -7.382 3.381 1.00 0.00 H new ATOM 0 HA LEU B 82 13.602 -7.259 5.724 1.00 0.00 H new ATOM 0 HB2 LEU B 82 13.666 -9.195 3.384 1.00 0.00 H new ATOM 0 HB3 LEU B 82 12.444 -9.250 4.639 1.00 0.00 H new ATOM 0 HG LEU B 82 12.947 -6.874 2.823 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.840 -7.539 1.726 1.00 0.00 H new ATOM 0 HD12 LEU B 82 12.089 -8.798 1.573 1.00 0.00 H new ATOM 0 HD13 LEU B 82 10.770 -8.991 2.752 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.787 -6.069 3.697 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.714 -7.470 4.792 1.00 0.00 H new ATOM 0 HD23 LEU B 82 11.995 -6.251 4.991 1.00 0.00 H new ATOM 1913 N GLN B 83 15.824 -9.625 5.608 1.00 0.00 N ATOM 1914 CA GLN B 83 16.456 -10.690 6.375 1.00 0.00 C ATOM 1915 C GLN B 83 17.675 -10.171 7.132 1.00 0.00 C ATOM 1916 O GLN B 83 18.074 -10.742 8.149 1.00 0.00 O ATOM 1917 CB GLN B 83 16.852 -11.839 5.452 1.00 0.00 C ATOM 1918 CG GLN B 83 15.675 -12.431 4.696 1.00 0.00 C ATOM 1919 CD GLN B 83 16.022 -13.719 3.979 1.00 0.00 C ATOM 1920 OE1 GLN B 83 17.169 -13.948 3.596 1.00 0.00 O ATOM 1921 NE2 GLN B 83 15.026 -14.567 3.784 1.00 0.00 N ATOM 0 H GLN B 83 16.343 -9.335 4.779 1.00 0.00 H new ATOM 0 HA GLN B 83 15.736 -11.057 7.107 1.00 0.00 H new ATOM 0 HB2 GLN B 83 17.593 -11.483 4.737 1.00 0.00 H new ATOM 0 HB3 GLN B 83 17.328 -12.622 6.041 1.00 0.00 H new ATOM 0 HG2 GLN B 83 14.859 -12.618 5.394 1.00 0.00 H new ATOM 0 HG3 GLN B 83 15.313 -11.703 3.970 1.00 0.00 H new ATOM 0 HE21 GLN B 83 14.089 -14.339 4.117 1.00 0.00 H new ATOM 0 HE22 GLN B 83 15.194 -15.449 3.300 1.00 0.00 H new ATOM 1930 N LEU B 84 18.269 -9.097 6.627 1.00 0.00 N ATOM 1931 CA LEU B 84 19.435 -8.500 7.264 1.00 0.00 C ATOM 1932 C LEU B 84 19.026 -7.769 8.538 1.00 0.00 C ATOM 1933 O LEU B 84 19.536 -8.051 9.622 1.00 0.00 O ATOM 1934 CB LEU B 84 20.131 -7.532 6.303 1.00 0.00 C ATOM 1935 CG LEU B 84 21.436 -6.926 6.824 1.00 0.00 C ATOM 1936 CD1 LEU B 84 22.522 -7.986 6.921 1.00 0.00 C ATOM 1937 CD2 LEU B 84 21.879 -5.780 5.928 1.00 0.00 C ATOM 0 H LEU B 84 17.962 -8.622 5.778 1.00 0.00 H new ATOM 0 HA LEU B 84 20.132 -9.296 7.524 1.00 0.00 H new ATOM 0 HB2 LEU B 84 20.339 -8.057 5.371 1.00 0.00 H new ATOM 0 HB3 LEU B 84 19.442 -6.722 6.066 1.00 0.00 H new ATOM 0 HG LEU B 84 21.259 -6.533 7.825 1.00 0.00 H new ATOM 0 HD11 LEU B 84 23.441 -7.533 7.293 1.00 0.00 H new ATOM 0 HD12 LEU B 84 22.203 -8.773 7.604 1.00 0.00 H new ATOM 0 HD13 LEU B 84 22.702 -8.413 5.935 1.00 0.00 H new ATOM 0 HD21 LEU B 84 22.809 -5.358 6.310 1.00 0.00 H new ATOM 0 HD22 LEU B 84 22.038 -6.150 4.915 1.00 0.00 H new ATOM 0 HD23 LEU B 84 21.109 -5.009 5.916 1.00 0.00 H new ATOM 1949 N SER B 85 18.104 -6.830 8.399 1.00 0.00 N ATOM 1950 CA SER B 85 17.620 -6.067 9.537 1.00 0.00 C ATOM 1951 C SER B 85 16.383 -6.739 10.125 1.00 0.00 C ATOM 1952 O SER B 85 16.263 -6.884 11.346 1.00 0.00 O ATOM 1953 CB SER B 85 17.296 -4.636 9.102 1.00 0.00 C ATOM 1954 OG SER B 85 18.300 -4.130 8.235 1.00 0.00 O ATOM 0 H SER B 85 17.676 -6.578 7.508 1.00 0.00 H new ATOM 0 HA SER B 85 18.395 -6.033 10.303 1.00 0.00 H new ATOM 0 HB2 SER B 85 16.330 -4.615 8.598 1.00 0.00 H new ATOM 0 HB3 SER B 85 17.211 -3.995 9.980 1.00 0.00 H new ATOM 0 HG SER B 85 18.071 -3.215 7.968 1.00 0.00 H new ATOM 1960 N LYS B 86 15.490 -7.164 9.228 1.00 0.00 N ATOM 1961 CA LYS B 86 14.242 -7.837 9.588 1.00 0.00 C ATOM 1962 C LYS B 86 13.253 -6.864 10.224 1.00 0.00 C ATOM 1963 O LYS B 86 12.129 -7.297 10.560 1.00 0.00 O ATOM 1964 CB LYS B 86 14.496 -9.032 10.517 1.00 0.00 C ATOM 1965 CG LYS B 86 13.635 -10.242 10.191 1.00 0.00 C ATOM 1966 CD LYS B 86 13.867 -11.383 11.165 1.00 0.00 C ATOM 1967 CE LYS B 86 12.846 -12.493 10.970 1.00 0.00 C ATOM 1968 NZ LYS B 86 11.473 -12.058 11.341 1.00 0.00 N ATOM 1969 OXT LYS B 86 13.597 -5.670 10.365 1.00 0.00 O ATOM 0 H LYS B 86 15.615 -7.049 8.222 1.00 0.00 H new ATOM 0 HA LYS B 86 13.802 -8.216 8.666 1.00 0.00 H new ATOM 0 HB2 LYS B 86 15.547 -9.315 10.454 1.00 0.00 H new ATOM 0 HB3 LYS B 86 14.309 -8.729 11.547 1.00 0.00 H new ATOM 0 HG2 LYS B 86 12.584 -9.955 10.212 1.00 0.00 H new ATOM 0 HG3 LYS B 86 13.853 -10.580 9.178 1.00 0.00 H new ATOM 0 HD2 LYS B 86 14.872 -11.782 11.028 1.00 0.00 H new ATOM 0 HD3 LYS B 86 13.810 -11.009 12.187 1.00 0.00 H new ATOM 0 HE2 LYS B 86 12.855 -12.815 9.929 1.00 0.00 H new ATOM 0 HE3 LYS B 86 13.129 -13.356 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 10.872 -12.894 11.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 11.511 -11.499 12.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 11.075 -11.476 10.576 1.00 0.00 H new TER 1983 LYS B 86