USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot 82:sc= 1.23 USER MOD Set 1.2: A 82 ASN : amide:sc= -2.63! C(o=-1.4!,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.00625 USER MOD Single : A 3 SER OG : rot 11:sc= 0.666 USER MOD Single : A 5 SER OG : rot 17:sc= 0.791 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -44:sc= 1.1 USER MOD Single : A 38 SER OG : rot 72:sc= 0.00132 USER MOD Single : A 43 TYR OH : rot 12:sc= -0.694 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= 0.811 F(o=-0.086,f=0.81) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 13:sc= 0.0278 USER MOD Single : A 66 GLN : amide:sc= -0.0655 X(o=-0.065,f=0) USER MOD Single : A 71 TYR OH : rot 0:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.0049) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -47:sc= -0.769 USER MOD Single : A 87 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 90 GLN : amide:sc= 0.904 K(o=0.9,f=-5.8!) USER MOD Single : A 92 HIS : no HD1:sc=-0.00644 X(o=-0.0064,f=-0.13) USER MOD Single : A 93 THR OG1 : rot 75:sc= 0.707 USER MOD Single : A 96 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.4) USER MOD Single : A 100 HIS : no HD1:sc= -2.25! C(o=-2.3!,f=-2.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -128:sc= -0.402 (180deg=-1.85) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -154:sc= -1.17 (180deg=-3.59!) USER MOD Single : A 123 SER OG : rot -51:sc= 1.16 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.922 35.137 -9.586 1.00 0.00 N ATOM 2 CA GLY A 1 -19.703 35.910 -9.742 1.00 0.00 C ATOM 3 C GLY A 1 -18.983 36.130 -8.427 1.00 0.00 C ATOM 4 O GLY A 1 -19.309 37.052 -7.679 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.376 35.015 -10.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.693 34.204 -9.187 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.571 35.638 -8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.037 35.396 -10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.943 36.876 -10.187 1.00 0.00 H new ATOM 8 N SER A 2 -18.002 35.279 -8.142 1.00 0.00 N ATOM 9 CA SER A 2 -17.237 35.382 -6.904 1.00 0.00 C ATOM 10 C SER A 2 -15.773 35.019 -7.139 1.00 0.00 C ATOM 11 O SER A 2 -15.465 33.968 -7.701 1.00 0.00 O ATOM 12 CB SER A 2 -17.835 34.468 -5.833 1.00 0.00 C ATOM 13 OG SER A 2 -18.855 35.133 -5.108 1.00 0.00 O ATOM 0 H SER A 2 -17.718 34.511 -8.751 1.00 0.00 H new ATOM 0 HA SER A 2 -17.287 36.415 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.242 33.572 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.051 34.142 -5.149 1.00 0.00 H new ATOM 0 HG SER A 2 -19.215 35.867 -5.648 1.00 0.00 H new ATOM 19 N SER A 3 -14.876 35.898 -6.704 1.00 0.00 N ATOM 20 CA SER A 3 -13.444 35.674 -6.869 1.00 0.00 C ATOM 21 C SER A 3 -12.648 36.464 -5.835 1.00 0.00 C ATOM 22 O SER A 3 -13.201 37.284 -5.103 1.00 0.00 O ATOM 23 CB SER A 3 -13.004 36.069 -8.279 1.00 0.00 C ATOM 24 OG SER A 3 -13.429 35.112 -9.234 1.00 0.00 O ATOM 0 H SER A 3 -15.115 36.772 -6.235 1.00 0.00 H new ATOM 0 HA SER A 3 -13.248 34.612 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.416 37.046 -8.531 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.918 36.162 -8.312 1.00 0.00 H new ATOM 0 HG SER A 3 -14.067 34.496 -8.818 1.00 0.00 H new ATOM 30 N GLY A 4 -11.344 36.209 -5.780 1.00 0.00 N ATOM 31 CA GLY A 4 -10.491 36.903 -4.833 1.00 0.00 C ATOM 32 C GLY A 4 -9.916 35.975 -3.782 1.00 0.00 C ATOM 33 O GLY A 4 -10.656 35.304 -3.064 1.00 0.00 O ATOM 0 H GLY A 4 -10.863 35.534 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.676 37.388 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.063 37.691 -4.343 1.00 0.00 H new ATOM 37 N SER A 5 -8.590 35.934 -3.693 1.00 0.00 N ATOM 38 CA SER A 5 -7.915 35.076 -2.726 1.00 0.00 C ATOM 39 C SER A 5 -6.507 35.587 -2.437 1.00 0.00 C ATOM 40 O SER A 5 -5.869 36.202 -3.293 1.00 0.00 O ATOM 41 CB SER A 5 -7.851 33.639 -3.245 1.00 0.00 C ATOM 42 OG SER A 5 -9.114 33.004 -3.145 1.00 0.00 O ATOM 0 H SER A 5 -7.962 36.485 -4.279 1.00 0.00 H new ATOM 0 HA SER A 5 -8.488 35.095 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.522 33.639 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.111 33.076 -2.676 1.00 0.00 H new ATOM 0 HG SER A 5 -9.812 33.681 -3.021 1.00 0.00 H new ATOM 48 N SER A 6 -6.027 35.329 -1.225 1.00 0.00 N ATOM 49 CA SER A 6 -4.696 35.765 -0.820 1.00 0.00 C ATOM 50 C SER A 6 -4.319 35.172 0.534 1.00 0.00 C ATOM 51 O SER A 6 -5.178 34.935 1.382 1.00 0.00 O ATOM 52 CB SER A 6 -4.635 37.293 -0.755 1.00 0.00 C ATOM 53 OG SER A 6 -3.330 37.763 -1.043 1.00 0.00 O ATOM 0 H SER A 6 -6.541 34.820 -0.506 1.00 0.00 H new ATOM 0 HA SER A 6 -3.982 35.411 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.344 37.719 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.936 37.630 0.237 1.00 0.00 H new ATOM 0 HG SER A 6 -3.317 38.742 -0.997 1.00 0.00 H new ATOM 59 N GLY A 7 -3.025 34.935 0.729 1.00 0.00 N ATOM 60 CA GLY A 7 -2.555 34.372 1.981 1.00 0.00 C ATOM 61 C GLY A 7 -1.383 33.429 1.789 1.00 0.00 C ATOM 62 O GLY A 7 -0.814 33.351 0.701 1.00 0.00 O ATOM 0 H GLY A 7 -2.294 35.123 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.261 35.180 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.372 33.837 2.465 1.00 0.00 H new ATOM 66 N GLU A 8 -1.022 32.713 2.850 1.00 0.00 N ATOM 67 CA GLU A 8 0.092 31.773 2.792 1.00 0.00 C ATOM 68 C GLU A 8 -0.396 30.374 2.426 1.00 0.00 C ATOM 69 O GLU A 8 -1.415 29.908 2.936 1.00 0.00 O ATOM 70 CB GLU A 8 0.826 31.735 4.134 1.00 0.00 C ATOM 71 CG GLU A 8 2.087 30.889 4.114 1.00 0.00 C ATOM 72 CD GLU A 8 3.257 31.601 3.464 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.016 32.475 2.604 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.414 31.286 3.814 1.00 0.00 O ATOM 0 H GLU A 8 -1.484 32.766 3.758 1.00 0.00 H new ATOM 0 HA GLU A 8 0.781 32.112 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.086 32.753 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.151 31.348 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.354 30.617 5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.889 29.961 3.579 1.00 0.00 H new ATOM 81 N GLU A 9 0.339 29.711 1.539 1.00 0.00 N ATOM 82 CA GLU A 9 -0.020 28.366 1.105 1.00 0.00 C ATOM 83 C GLU A 9 0.725 27.313 1.922 1.00 0.00 C ATOM 84 O GLU A 9 1.922 27.097 1.732 1.00 0.00 O ATOM 85 CB GLU A 9 0.292 28.187 -0.383 1.00 0.00 C ATOM 86 CG GLU A 9 -0.808 28.695 -1.300 1.00 0.00 C ATOM 87 CD GLU A 9 -1.229 30.115 -0.974 1.00 0.00 C ATOM 88 OE1 GLU A 9 -0.482 31.052 -1.327 1.00 0.00 O ATOM 89 OE2 GLU A 9 -2.306 30.289 -0.367 1.00 0.00 O ATOM 0 H GLU A 9 1.185 30.083 1.107 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.090 28.234 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.219 28.710 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.463 27.130 -0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.464 28.650 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.673 28.037 -1.223 1.00 0.00 H new ATOM 96 N ASP A 10 0.007 26.662 2.831 1.00 0.00 N ATOM 97 CA ASP A 10 0.598 25.632 3.677 1.00 0.00 C ATOM 98 C ASP A 10 0.106 24.247 3.270 1.00 0.00 C ATOM 99 O ASP A 10 -0.944 24.110 2.641 1.00 0.00 O ATOM 100 CB ASP A 10 0.264 25.895 5.146 1.00 0.00 C ATOM 101 CG ASP A 10 0.853 24.847 6.070 1.00 0.00 C ATOM 102 OD1 ASP A 10 2.095 24.728 6.118 1.00 0.00 O ATOM 103 OD2 ASP A 10 0.071 24.147 6.746 1.00 0.00 O ATOM 0 H ASP A 10 -0.985 26.829 3.001 1.00 0.00 H new ATOM 0 HA ASP A 10 1.680 25.666 3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.639 26.878 5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.819 25.918 5.271 1.00 0.00 H new ATOM 108 N TRP A 11 0.870 23.223 3.633 1.00 0.00 N ATOM 109 CA TRP A 11 0.511 21.848 3.305 1.00 0.00 C ATOM 110 C TRP A 11 1.276 20.862 4.182 1.00 0.00 C ATOM 111 O TRP A 11 2.501 20.768 4.105 1.00 0.00 O ATOM 112 CB TRP A 11 0.795 21.563 1.829 1.00 0.00 C ATOM 113 CG TRP A 11 -0.081 20.494 1.251 1.00 0.00 C ATOM 114 CD1 TRP A 11 -0.825 19.581 1.943 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.303 20.225 -0.137 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.496 18.761 1.068 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.193 19.136 -0.214 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.162 20.800 -1.323 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.625 18.612 -1.430 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.267 20.279 -2.529 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.154 19.194 -2.575 1.00 0.00 C ATOM 0 H TRP A 11 1.742 23.319 4.154 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.555 21.722 3.493 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.661 22.481 1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.838 21.267 1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.878 19.514 3.020 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.119 17.997 1.331 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.844 21.637 -1.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.308 17.776 -1.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.087 20.715 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.472 18.810 -3.533 1.00 0.00 H new ATOM 132 N VAL A 12 0.545 20.128 5.016 1.00 0.00 N ATOM 133 CA VAL A 12 1.155 19.148 5.906 1.00 0.00 C ATOM 134 C VAL A 12 1.657 17.936 5.129 1.00 0.00 C ATOM 135 O VAL A 12 2.686 17.350 5.468 1.00 0.00 O ATOM 136 CB VAL A 12 0.163 18.677 6.986 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.058 18.035 6.346 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.841 17.712 7.947 1.00 0.00 C ATOM 0 H VAL A 12 -0.470 20.194 5.093 1.00 0.00 H new ATOM 0 HA VAL A 12 1.999 19.641 6.388 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.169 19.546 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.748 17.708 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.555 18.760 5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.748 17.175 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.126 17.389 8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.203 16.844 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.681 18.210 8.431 1.00 0.00 H new ATOM 148 N LEU A 13 0.924 17.566 4.085 1.00 0.00 N ATOM 149 CA LEU A 13 1.295 16.423 3.257 1.00 0.00 C ATOM 150 C LEU A 13 2.799 16.396 3.008 1.00 0.00 C ATOM 151 O LEU A 13 3.496 15.448 3.368 1.00 0.00 O ATOM 152 CB LEU A 13 0.546 16.470 1.924 1.00 0.00 C ATOM 153 CG LEU A 13 1.297 15.915 0.713 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.457 14.407 0.828 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.574 16.279 -0.576 1.00 0.00 C ATOM 0 H LEU A 13 0.070 18.040 3.791 1.00 0.00 H new ATOM 0 HA LEU A 13 1.018 15.514 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.386 15.916 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.278 17.506 1.717 1.00 0.00 H new ATOM 0 HG LEU A 13 2.290 16.364 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.994 14.031 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.019 14.169 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.474 13.940 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.123 15.876 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.432 15.859 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.512 17.364 -0.665 1.00 0.00 H new ATOM 167 N PRO A 14 3.314 17.463 2.378 1.00 0.00 N ATOM 168 CA PRO A 14 4.742 17.587 2.069 1.00 0.00 C ATOM 169 C PRO A 14 5.590 17.793 3.320 1.00 0.00 C ATOM 170 O PRO A 14 6.808 17.617 3.292 1.00 0.00 O ATOM 171 CB PRO A 14 4.804 18.825 1.171 1.00 0.00 C ATOM 172 CG PRO A 14 3.606 19.626 1.546 1.00 0.00 C ATOM 173 CD PRO A 14 2.543 18.630 1.920 1.00 0.00 C ATOM 0 HA PRO A 14 5.138 16.685 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.723 19.387 1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.782 18.550 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.827 20.292 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.279 20.252 0.716 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.891 19.014 2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.907 18.383 1.070 1.00 0.00 H new ATOM 181 N SER A 15 4.938 18.167 4.416 1.00 0.00 N ATOM 182 CA SER A 15 5.633 18.400 5.677 1.00 0.00 C ATOM 183 C SER A 15 5.928 17.082 6.387 1.00 0.00 C ATOM 184 O SER A 15 6.979 16.921 7.006 1.00 0.00 O ATOM 185 CB SER A 15 4.798 19.306 6.584 1.00 0.00 C ATOM 186 OG SER A 15 5.607 19.929 7.567 1.00 0.00 O ATOM 0 H SER A 15 3.930 18.315 4.457 1.00 0.00 H new ATOM 0 HA SER A 15 6.580 18.893 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.299 20.067 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.017 18.720 7.069 1.00 0.00 H new ATOM 0 HG SER A 15 5.050 20.504 8.133 1.00 0.00 H new ATOM 192 N GLU A 16 4.991 16.144 6.292 1.00 0.00 N ATOM 193 CA GLU A 16 5.150 14.840 6.925 1.00 0.00 C ATOM 194 C GLU A 16 6.102 13.957 6.123 1.00 0.00 C ATOM 195 O GLU A 16 6.993 13.318 6.682 1.00 0.00 O ATOM 196 CB GLU A 16 3.792 14.148 7.066 1.00 0.00 C ATOM 197 CG GLU A 16 3.886 12.726 7.592 1.00 0.00 C ATOM 198 CD GLU A 16 4.020 12.669 9.101 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.933 13.329 9.640 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.213 11.965 9.743 1.00 0.00 O ATOM 0 H GLU A 16 4.115 16.263 5.783 1.00 0.00 H new ATOM 0 HA GLU A 16 5.576 14.996 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.163 14.734 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.297 14.135 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.998 12.171 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.743 12.230 7.136 1.00 0.00 H new ATOM 207 N VAL A 17 5.906 13.927 4.809 1.00 0.00 N ATOM 208 CA VAL A 17 6.746 13.124 3.929 1.00 0.00 C ATOM 209 C VAL A 17 8.219 13.263 4.298 1.00 0.00 C ATOM 210 O VAL A 17 8.932 12.269 4.426 1.00 0.00 O ATOM 211 CB VAL A 17 6.558 13.525 2.454 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.466 12.699 1.556 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.102 13.370 2.041 1.00 0.00 C ATOM 0 H VAL A 17 5.173 14.450 4.330 1.00 0.00 H new ATOM 0 HA VAL A 17 6.438 12.086 4.058 1.00 0.00 H new ATOM 0 HB VAL A 17 6.834 14.574 2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.319 12.996 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.506 12.866 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.225 11.642 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.988 13.658 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.797 12.331 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.477 14.010 2.664 1.00 0.00 H new ATOM 223 N GLU A 18 8.666 14.503 4.469 1.00 0.00 N ATOM 224 CA GLU A 18 10.055 14.771 4.824 1.00 0.00 C ATOM 225 C GLU A 18 10.500 13.887 5.986 1.00 0.00 C ATOM 226 O GLU A 18 11.652 13.457 6.047 1.00 0.00 O ATOM 227 CB GLU A 18 10.235 16.245 5.191 1.00 0.00 C ATOM 228 CG GLU A 18 10.161 17.183 3.999 1.00 0.00 C ATOM 229 CD GLU A 18 10.931 18.471 4.221 1.00 0.00 C ATOM 230 OE1 GLU A 18 12.160 18.400 4.427 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.303 19.550 4.187 1.00 0.00 O ATOM 0 H GLU A 18 8.088 15.337 4.368 1.00 0.00 H new ATOM 0 HA GLU A 18 10.676 14.542 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.468 16.527 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.199 16.373 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.554 16.676 3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.117 17.419 3.792 1.00 0.00 H new ATOM 238 N VAL A 19 9.578 13.621 6.906 1.00 0.00 N ATOM 239 CA VAL A 19 9.874 12.789 8.066 1.00 0.00 C ATOM 240 C VAL A 19 9.802 11.308 7.713 1.00 0.00 C ATOM 241 O VAL A 19 10.623 10.509 8.167 1.00 0.00 O ATOM 242 CB VAL A 19 8.902 13.077 9.226 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.191 12.160 10.405 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.988 14.538 9.642 1.00 0.00 C ATOM 0 H VAL A 19 8.620 13.970 6.870 1.00 0.00 H new ATOM 0 HA VAL A 19 10.888 13.035 8.382 1.00 0.00 H new ATOM 0 HB VAL A 19 7.886 12.880 8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.495 12.378 11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.074 11.121 10.095 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.212 12.323 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.295 14.724 10.462 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.004 14.765 9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.727 15.173 8.796 1.00 0.00 H new ATOM 254 N LEU A 20 8.816 10.947 6.899 1.00 0.00 N ATOM 255 CA LEU A 20 8.637 9.561 6.483 1.00 0.00 C ATOM 256 C LEU A 20 9.858 9.058 5.720 1.00 0.00 C ATOM 257 O LEU A 20 10.422 8.015 6.050 1.00 0.00 O ATOM 258 CB LEU A 20 7.387 9.427 5.611 1.00 0.00 C ATOM 259 CG LEU A 20 6.050 9.661 6.315 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.922 9.761 5.299 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.771 8.549 7.316 1.00 0.00 C ATOM 0 H LEU A 20 8.129 11.595 6.514 1.00 0.00 H new ATOM 0 HA LEU A 20 8.516 8.952 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.468 10.132 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.376 8.427 5.177 1.00 0.00 H new ATOM 0 HG LEU A 20 6.108 10.604 6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.978 9.928 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.115 10.593 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.863 8.834 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.815 8.733 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.733 7.592 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.564 8.525 8.063 1.00 0.00 H new ATOM 273 N GLU A 21 10.263 9.809 4.700 1.00 0.00 N ATOM 274 CA GLU A 21 11.419 9.439 3.892 1.00 0.00 C ATOM 275 C GLU A 21 12.561 8.941 4.772 1.00 0.00 C ATOM 276 O GLU A 21 13.126 7.874 4.530 1.00 0.00 O ATOM 277 CB GLU A 21 11.887 10.632 3.056 1.00 0.00 C ATOM 278 CG GLU A 21 10.917 11.022 1.954 1.00 0.00 C ATOM 279 CD GLU A 21 11.571 11.856 0.869 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.558 12.558 1.173 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.095 11.807 -0.284 1.00 0.00 O ATOM 0 H GLU A 21 9.808 10.676 4.414 1.00 0.00 H new ATOM 0 HA GLU A 21 11.120 8.631 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.040 11.488 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.853 10.396 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.496 10.120 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.087 11.581 2.387 1.00 0.00 H new ATOM 288 N SER A 22 12.896 9.721 5.795 1.00 0.00 N ATOM 289 CA SER A 22 13.974 9.362 6.709 1.00 0.00 C ATOM 290 C SER A 22 13.888 7.889 7.099 1.00 0.00 C ATOM 291 O SER A 22 14.907 7.210 7.228 1.00 0.00 O ATOM 292 CB SER A 22 13.919 10.237 7.963 1.00 0.00 C ATOM 293 OG SER A 22 15.033 9.992 8.804 1.00 0.00 O ATOM 0 H SER A 22 12.436 10.605 6.012 1.00 0.00 H new ATOM 0 HA SER A 22 14.922 9.530 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.900 11.288 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.997 10.039 8.509 1.00 0.00 H new ATOM 0 HG SER A 22 14.976 10.564 9.598 1.00 0.00 H new ATOM 299 N ILE A 23 12.665 7.403 7.284 1.00 0.00 N ATOM 300 CA ILE A 23 12.445 6.011 7.657 1.00 0.00 C ATOM 301 C ILE A 23 12.334 5.122 6.423 1.00 0.00 C ATOM 302 O ILE A 23 13.046 4.126 6.296 1.00 0.00 O ATOM 303 CB ILE A 23 11.172 5.851 8.508 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.276 6.691 9.783 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.944 4.386 8.850 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.953 6.875 10.494 1.00 0.00 C ATOM 0 H ILE A 23 11.812 7.952 7.182 1.00 0.00 H new ATOM 0 HA ILE A 23 13.308 5.702 8.247 1.00 0.00 H new ATOM 0 HB ILE A 23 10.319 6.206 7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.983 6.217 10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.684 7.670 9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.040 4.289 9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.831 3.811 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.797 4.007 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.102 7.480 11.388 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.250 7.377 9.830 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.553 5.901 10.777 1.00 0.00 H new ATOM 318 N TYR A 24 11.436 5.490 5.515 1.00 0.00 N ATOM 319 CA TYR A 24 11.230 4.726 4.291 1.00 0.00 C ATOM 320 C TYR A 24 12.015 5.332 3.131 1.00 0.00 C ATOM 321 O TYR A 24 11.498 5.473 2.022 1.00 0.00 O ATOM 322 CB TYR A 24 9.742 4.673 3.942 1.00 0.00 C ATOM 323 CG TYR A 24 8.864 4.251 5.098 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.089 3.055 5.768 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.809 5.050 5.522 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.288 2.666 6.824 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.004 4.669 6.578 1.00 0.00 C ATOM 328 CZ TYR A 24 7.247 3.476 7.225 1.00 0.00 C ATOM 329 OH TYR A 24 6.448 3.093 8.278 1.00 0.00 O ATOM 0 H TYR A 24 10.840 6.313 5.604 1.00 0.00 H new ATOM 0 HA TYR A 24 11.593 3.712 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.424 5.656 3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.596 3.980 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.904 2.418 5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.615 5.985 5.017 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.476 1.732 7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.189 5.302 6.895 1.00 0.00 H new ATOM 0 HH TYR A 24 5.762 3.776 8.433 1.00 0.00 H new ATOM 339 N LEU A 25 13.267 5.690 3.396 1.00 0.00 N ATOM 340 CA LEU A 25 14.125 6.281 2.375 1.00 0.00 C ATOM 341 C LEU A 25 13.838 5.677 1.005 1.00 0.00 C ATOM 342 O LEU A 25 13.464 6.385 0.069 1.00 0.00 O ATOM 343 CB LEU A 25 15.597 6.075 2.737 1.00 0.00 C ATOM 344 CG LEU A 25 16.134 6.938 3.880 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.444 6.372 4.406 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.319 8.377 3.420 1.00 0.00 C ATOM 0 H LEU A 25 13.710 5.581 4.308 1.00 0.00 H new ATOM 0 HA LEU A 25 13.913 7.349 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.743 5.027 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.199 6.267 1.849 1.00 0.00 H new ATOM 0 HG LEU A 25 15.406 6.928 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.811 6.999 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.281 5.359 4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.180 6.352 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.702 8.977 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.027 8.406 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.361 8.780 3.092 1.00 0.00 H new ATOM 358 N ASP A 26 14.012 4.365 0.894 1.00 0.00 N ATOM 359 CA ASP A 26 13.768 3.664 -0.361 1.00 0.00 C ATOM 360 C ASP A 26 12.488 2.838 -0.283 1.00 0.00 C ATOM 361 O ASP A 26 11.729 2.761 -1.248 1.00 0.00 O ATOM 362 CB ASP A 26 14.953 2.759 -0.704 1.00 0.00 C ATOM 363 CG ASP A 26 14.609 1.730 -1.763 1.00 0.00 C ATOM 364 OD1 ASP A 26 14.003 2.112 -2.786 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.944 0.543 -1.568 1.00 0.00 O ATOM 0 H ASP A 26 14.321 3.765 1.659 1.00 0.00 H new ATOM 0 HA ASP A 26 13.651 4.410 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.785 3.371 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.290 2.249 0.198 1.00 0.00 H new ATOM 370 N GLU A 27 12.257 2.223 0.872 1.00 0.00 N ATOM 371 CA GLU A 27 11.069 1.401 1.075 1.00 0.00 C ATOM 372 C GLU A 27 9.841 2.055 0.447 1.00 0.00 C ATOM 373 O GLU A 27 9.031 1.389 -0.199 1.00 0.00 O ATOM 374 CB GLU A 27 10.830 1.170 2.568 1.00 0.00 C ATOM 375 CG GLU A 27 12.006 0.522 3.280 1.00 0.00 C ATOM 376 CD GLU A 27 11.964 -0.992 3.215 1.00 0.00 C ATOM 377 OE1 GLU A 27 12.116 -1.542 2.104 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.779 -1.627 4.274 1.00 0.00 O ATOM 0 H GLU A 27 12.876 2.278 1.681 1.00 0.00 H new ATOM 0 HA GLU A 27 11.236 0.440 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.610 2.125 3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.949 0.541 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.936 0.876 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.013 0.837 4.323 1.00 0.00 H new ATOM 385 N LEU A 28 9.710 3.362 0.642 1.00 0.00 N ATOM 386 CA LEU A 28 8.582 4.108 0.096 1.00 0.00 C ATOM 387 C LEU A 28 9.059 5.189 -0.868 1.00 0.00 C ATOM 388 O LEU A 28 10.025 5.899 -0.591 1.00 0.00 O ATOM 389 CB LEU A 28 7.768 4.740 1.227 1.00 0.00 C ATOM 390 CG LEU A 28 6.765 5.817 0.811 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.575 5.833 1.758 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.435 7.183 0.770 1.00 0.00 C ATOM 0 H LEU A 28 10.371 3.927 1.174 1.00 0.00 H new ATOM 0 HA LEU A 28 7.949 3.411 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.227 3.948 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.461 5.176 1.947 1.00 0.00 H new ATOM 0 HG LEU A 28 6.403 5.582 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.872 6.606 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.080 4.862 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.919 6.043 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.706 7.937 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.826 7.426 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.254 7.165 0.050 1.00 0.00 H new ATOM 404 N GLN A 29 8.373 5.309 -2.001 1.00 0.00 N ATOM 405 CA GLN A 29 8.727 6.305 -3.005 1.00 0.00 C ATOM 406 C GLN A 29 7.707 7.439 -3.029 1.00 0.00 C ATOM 407 O GLN A 29 6.514 7.220 -2.823 1.00 0.00 O ATOM 408 CB GLN A 29 8.817 5.656 -4.387 1.00 0.00 C ATOM 409 CG GLN A 29 10.165 5.010 -4.669 1.00 0.00 C ATOM 410 CD GLN A 29 11.305 6.010 -4.657 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.719 6.484 -3.598 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.819 6.336 -5.837 1.00 0.00 N ATOM 0 H GLN A 29 7.570 4.729 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 29 9.700 6.720 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.036 4.901 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.619 6.411 -5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.356 4.238 -3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.131 4.515 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.445 5.919 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.588 7.004 -5.891 1.00 0.00 H new ATOM 421 N VAL A 30 8.186 8.653 -3.283 1.00 0.00 N ATOM 422 CA VAL A 30 7.317 9.822 -3.335 1.00 0.00 C ATOM 423 C VAL A 30 7.632 10.688 -4.550 1.00 0.00 C ATOM 424 O VAL A 30 8.778 11.082 -4.764 1.00 0.00 O ATOM 425 CB VAL A 30 7.450 10.678 -2.061 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.459 11.831 -2.086 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.251 9.820 -0.821 1.00 0.00 C ATOM 0 H VAL A 30 9.171 8.852 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 30 6.294 9.452 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 30 8.456 11.096 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.568 12.424 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.653 12.459 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.444 11.437 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.348 10.440 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.258 9.372 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.004 9.032 -0.799 1.00 0.00 H new ATOM 437 N ILE A 31 6.606 10.980 -5.343 1.00 0.00 N ATOM 438 CA ILE A 31 6.773 11.800 -6.536 1.00 0.00 C ATOM 439 C ILE A 31 6.354 13.243 -6.274 1.00 0.00 C ATOM 440 O ILE A 31 5.185 13.599 -6.423 1.00 0.00 O ATOM 441 CB ILE A 31 5.957 11.247 -7.719 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.391 9.816 -8.041 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.117 12.143 -8.938 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.188 8.850 -6.895 1.00 0.00 C ATOM 0 H ILE A 31 5.651 10.661 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 31 7.832 11.772 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 31 4.903 11.233 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.832 9.462 -8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.444 9.819 -8.321 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.534 11.739 -9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.763 13.146 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.168 12.187 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.517 7.855 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.769 9.180 -6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.131 8.818 -6.629 1.00 0.00 H new ATOM 456 N LYS A 32 7.317 14.072 -5.885 1.00 0.00 N ATOM 457 CA LYS A 32 7.051 15.478 -5.605 1.00 0.00 C ATOM 458 C LYS A 32 6.358 16.146 -6.789 1.00 0.00 C ATOM 459 O LYS A 32 6.601 15.795 -7.942 1.00 0.00 O ATOM 460 CB LYS A 32 8.355 16.211 -5.284 1.00 0.00 C ATOM 461 CG LYS A 32 9.125 15.603 -4.124 1.00 0.00 C ATOM 462 CD LYS A 32 8.574 16.065 -2.786 1.00 0.00 C ATOM 463 CE LYS A 32 9.017 15.150 -1.655 1.00 0.00 C ATOM 464 NZ LYS A 32 10.314 15.585 -1.065 1.00 0.00 N ATOM 0 H LYS A 32 8.290 13.794 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 32 6.389 15.532 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.990 16.211 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.129 17.252 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.075 14.516 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.177 15.879 -4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.909 17.082 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.485 16.091 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.252 15.135 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.112 14.130 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.581 14.936 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.050 15.575 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.217 16.548 -0.685 1.00 0.00 H new ATOM 478 N GLY A 33 5.494 17.113 -6.494 1.00 0.00 N ATOM 479 CA GLY A 33 4.781 17.816 -7.544 1.00 0.00 C ATOM 480 C GLY A 33 4.654 19.301 -7.266 1.00 0.00 C ATOM 481 O GLY A 33 3.645 19.918 -7.604 1.00 0.00 O ATOM 0 H GLY A 33 5.275 17.422 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.300 17.670 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.786 17.384 -7.655 1.00 0.00 H new ATOM 485 N ASN A 34 5.680 19.874 -6.645 1.00 0.00 N ATOM 486 CA ASN A 34 5.677 21.296 -6.319 1.00 0.00 C ATOM 487 C ASN A 34 4.317 21.728 -5.781 1.00 0.00 C ATOM 488 O ASN A 34 3.912 22.879 -5.940 1.00 0.00 O ATOM 489 CB ASN A 34 6.037 22.124 -7.554 1.00 0.00 C ATOM 490 CG ASN A 34 7.535 22.283 -7.728 1.00 0.00 C ATOM 491 OD1 ASN A 34 8.254 21.306 -7.933 1.00 0.00 O ATOM 492 ND2 ASN A 34 8.012 23.520 -7.646 1.00 0.00 N ATOM 0 H ASN A 34 6.523 19.377 -6.358 1.00 0.00 H new ATOM 0 HA ASN A 34 6.425 21.468 -5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.620 21.648 -8.441 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.577 23.109 -7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.012 23.689 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.378 24.301 -7.475 1.00 0.00 H new ATOM 499 N GLY A 35 3.616 20.797 -5.142 1.00 0.00 N ATOM 500 CA GLY A 35 2.309 21.101 -4.590 1.00 0.00 C ATOM 501 C GLY A 35 1.541 22.100 -5.432 1.00 0.00 C ATOM 502 O GLY A 35 1.068 23.117 -4.924 1.00 0.00 O ATOM 0 H GLY A 35 3.930 19.837 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.731 20.181 -4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.427 21.496 -3.581 1.00 0.00 H new ATOM 506 N ARG A 36 1.418 21.811 -6.724 1.00 0.00 N ATOM 507 CA ARG A 36 0.705 22.694 -7.639 1.00 0.00 C ATOM 508 C ARG A 36 -0.636 22.089 -8.044 1.00 0.00 C ATOM 509 O ARG A 36 -0.760 21.479 -9.106 1.00 0.00 O ATOM 510 CB ARG A 36 1.551 22.963 -8.885 1.00 0.00 C ATOM 511 CG ARG A 36 2.458 24.177 -8.755 1.00 0.00 C ATOM 512 CD ARG A 36 2.825 24.746 -10.116 1.00 0.00 C ATOM 513 NE ARG A 36 4.123 25.415 -10.097 1.00 0.00 N ATOM 514 CZ ARG A 36 4.298 26.669 -9.694 1.00 0.00 C ATOM 515 NH1 ARG A 36 3.263 27.385 -9.279 1.00 0.00 N ATOM 516 NH2 ARG A 36 5.511 27.208 -9.707 1.00 0.00 N ATOM 0 H ARG A 36 1.803 20.973 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 36 0.519 23.636 -7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.161 22.085 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.889 23.104 -9.740 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.959 24.943 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.365 23.899 -8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.842 23.942 -10.852 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.058 25.452 -10.433 1.00 0.00 H new ATOM 0 HE ARG A 36 4.940 24.891 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.330 26.974 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.400 28.347 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.309 26.659 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.645 28.171 -9.398 1.00 0.00 H new ATOM 530 N THR A 37 -1.640 22.262 -7.189 1.00 0.00 N ATOM 531 CA THR A 37 -2.971 21.732 -7.455 1.00 0.00 C ATOM 532 C THR A 37 -2.895 20.354 -8.102 1.00 0.00 C ATOM 533 O THR A 37 -3.803 19.947 -8.827 1.00 0.00 O ATOM 534 CB THR A 37 -3.777 22.673 -8.371 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.110 22.177 -8.531 1.00 0.00 O ATOM 536 CG2 THR A 37 -3.112 22.802 -9.733 1.00 0.00 C ATOM 0 H THR A 37 -1.556 22.766 -6.306 1.00 0.00 H new ATOM 0 HA THR A 37 -3.477 21.651 -6.493 1.00 0.00 H new ATOM 0 HB THR A 37 -3.810 23.658 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.082 21.211 -8.692 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.699 23.471 -10.362 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.107 23.207 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.053 21.820 -10.203 1.00 0.00 H new ATOM 544 N SER A 38 -1.806 19.639 -7.835 1.00 0.00 N ATOM 545 CA SER A 38 -1.611 18.307 -8.394 1.00 0.00 C ATOM 546 C SER A 38 -1.536 17.259 -7.288 1.00 0.00 C ATOM 547 O SER A 38 -0.872 17.443 -6.268 1.00 0.00 O ATOM 548 CB SER A 38 -0.335 18.267 -9.237 1.00 0.00 C ATOM 549 OG SER A 38 -0.593 18.665 -10.572 1.00 0.00 O ATOM 0 H SER A 38 -1.046 19.960 -7.235 1.00 0.00 H new ATOM 0 HA SER A 38 -2.466 18.078 -9.030 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.416 18.923 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.079 17.259 -9.228 1.00 0.00 H new ATOM 0 HG SER A 38 -0.765 19.629 -10.598 1.00 0.00 H new ATOM 555 N PRO A 39 -2.234 16.133 -7.493 1.00 0.00 N ATOM 556 CA PRO A 39 -2.263 15.032 -6.525 1.00 0.00 C ATOM 557 C PRO A 39 -0.927 14.304 -6.434 1.00 0.00 C ATOM 558 O PRO A 39 -0.371 13.879 -7.448 1.00 0.00 O ATOM 559 CB PRO A 39 -3.344 14.100 -7.079 1.00 0.00 C ATOM 560 CG PRO A 39 -3.376 14.385 -8.541 1.00 0.00 C ATOM 561 CD PRO A 39 -3.048 15.846 -8.686 1.00 0.00 C ATOM 0 HA PRO A 39 -2.463 15.385 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.103 13.055 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.311 14.296 -6.616 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.653 13.768 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.357 14.162 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.497 16.045 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.949 16.459 -8.715 1.00 0.00 H new ATOM 569 N TRP A 40 -0.416 14.163 -5.217 1.00 0.00 N ATOM 570 CA TRP A 40 0.856 13.484 -4.995 1.00 0.00 C ATOM 571 C TRP A 40 0.694 11.973 -5.109 1.00 0.00 C ATOM 572 O TRP A 40 -0.384 11.435 -4.858 1.00 0.00 O ATOM 573 CB TRP A 40 1.418 13.847 -3.619 1.00 0.00 C ATOM 574 CG TRP A 40 2.001 15.226 -3.561 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.542 16.338 -4.207 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.153 15.639 -2.817 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.339 17.418 -3.910 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.333 17.015 -3.058 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.047 14.981 -1.969 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.372 17.741 -2.482 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.078 15.703 -1.398 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.233 17.071 -1.656 1.00 0.00 C ATOM 0 H TRP A 40 -0.863 14.510 -4.368 1.00 0.00 H new ATOM 0 HA TRP A 40 1.555 13.814 -5.764 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.624 13.764 -2.877 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.186 13.124 -3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.679 16.365 -4.856 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.211 18.365 -4.266 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.935 13.927 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.494 18.796 -2.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.776 15.204 -0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.048 17.608 -1.194 1.00 0.00 H new ATOM 593 N GLU A 41 1.772 11.293 -5.490 1.00 0.00 N ATOM 594 CA GLU A 41 1.747 9.843 -5.637 1.00 0.00 C ATOM 595 C GLU A 41 2.804 9.188 -4.753 1.00 0.00 C ATOM 596 O GLU A 41 3.933 9.669 -4.658 1.00 0.00 O ATOM 597 CB GLU A 41 1.976 9.453 -7.099 1.00 0.00 C ATOM 598 CG GLU A 41 1.418 8.086 -7.459 1.00 0.00 C ATOM 599 CD GLU A 41 -0.015 8.152 -7.949 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.494 9.268 -8.236 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.658 7.085 -8.046 1.00 0.00 O ATOM 0 H GLU A 41 2.672 11.723 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 41 0.765 9.488 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.518 10.204 -7.743 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.046 9.465 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.042 7.635 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.470 7.435 -6.586 1.00 0.00 H new ATOM 608 N ILE A 42 2.428 8.089 -4.108 1.00 0.00 N ATOM 609 CA ILE A 42 3.343 7.367 -3.232 1.00 0.00 C ATOM 610 C ILE A 42 3.197 5.859 -3.406 1.00 0.00 C ATOM 611 O ILE A 42 2.095 5.318 -3.319 1.00 0.00 O ATOM 612 CB ILE A 42 3.108 7.727 -1.753 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.372 9.216 -1.519 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.994 6.878 -0.854 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.553 9.805 -0.393 1.00 0.00 C ATOM 0 H ILE A 42 1.496 7.679 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 42 4.352 7.666 -3.515 1.00 0.00 H new ATOM 0 HB ILE A 42 2.067 7.519 -1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.430 9.359 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.159 9.763 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.816 7.144 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.761 5.824 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.041 7.057 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.792 10.863 -0.284 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.492 9.694 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.784 9.284 0.536 1.00 0.00 H new ATOM 627 N TYR A 43 4.316 5.187 -3.651 1.00 0.00 N ATOM 628 CA TYR A 43 4.313 3.741 -3.838 1.00 0.00 C ATOM 629 C TYR A 43 5.024 3.041 -2.684 1.00 0.00 C ATOM 630 O TYR A 43 5.756 3.669 -1.918 1.00 0.00 O ATOM 631 CB TYR A 43 4.986 3.376 -5.163 1.00 0.00 C ATOM 632 CG TYR A 43 4.403 4.096 -6.357 1.00 0.00 C ATOM 633 CD1 TYR A 43 4.667 5.442 -6.578 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.588 3.431 -7.265 1.00 0.00 C ATOM 635 CE1 TYR A 43 4.135 6.105 -7.668 1.00 0.00 C ATOM 636 CE2 TYR A 43 3.053 4.085 -8.358 1.00 0.00 C ATOM 637 CZ TYR A 43 3.329 5.422 -8.555 1.00 0.00 C ATOM 638 OH TYR A 43 2.799 6.078 -9.642 1.00 0.00 O ATOM 0 H TYR A 43 5.237 5.620 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 43 3.276 3.405 -3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.050 3.604 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.900 2.301 -5.320 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.299 5.980 -5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.369 2.384 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.349 7.152 -7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.422 3.552 -9.054 1.00 0.00 H new ATOM 0 HH TYR A 43 3.236 6.949 -9.743 1.00 0.00 H new ATOM 648 N ILE A 44 4.804 1.736 -2.567 1.00 0.00 N ATOM 649 CA ILE A 44 5.424 0.949 -1.508 1.00 0.00 C ATOM 650 C ILE A 44 5.194 -0.543 -1.725 1.00 0.00 C ATOM 651 O ILE A 44 4.173 -0.951 -2.280 1.00 0.00 O ATOM 652 CB ILE A 44 4.881 1.344 -0.122 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.687 0.654 0.981 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.406 0.988 -0.009 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.654 1.389 2.303 1.00 0.00 C ATOM 0 H ILE A 44 4.201 1.201 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 44 6.493 1.158 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 44 4.984 2.422 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.300 -0.355 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.722 0.555 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.037 1.273 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.843 1.521 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.279 -0.086 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.246 0.843 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.068 2.389 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.624 1.465 2.651 1.00 0.00 H new ATOM 667 N THR A 45 6.150 -1.354 -1.282 1.00 0.00 N ATOM 668 CA THR A 45 6.052 -2.801 -1.427 1.00 0.00 C ATOM 669 C THR A 45 5.856 -3.477 -0.075 1.00 0.00 C ATOM 670 O THR A 45 6.668 -3.312 0.837 1.00 0.00 O ATOM 671 CB THR A 45 7.308 -3.384 -2.102 1.00 0.00 C ATOM 672 OG1 THR A 45 7.508 -2.767 -3.379 1.00 0.00 O ATOM 673 CG2 THR A 45 7.179 -4.890 -2.276 1.00 0.00 C ATOM 0 H THR A 45 7.001 -1.033 -0.820 1.00 0.00 H new ATOM 0 HA THR A 45 5.185 -2.997 -2.058 1.00 0.00 H new ATOM 0 HB THR A 45 8.166 -3.180 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.309 -3.141 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.078 -5.279 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.055 -5.360 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.312 -5.111 -2.898 1.00 0.00 H new ATOM 681 N LEU A 46 4.775 -4.238 0.050 1.00 0.00 N ATOM 682 CA LEU A 46 4.472 -4.941 1.292 1.00 0.00 C ATOM 683 C LEU A 46 4.256 -6.429 1.037 1.00 0.00 C ATOM 684 O LEU A 46 3.720 -6.821 0.000 1.00 0.00 O ATOM 685 CB LEU A 46 3.230 -4.339 1.952 1.00 0.00 C ATOM 686 CG LEU A 46 3.318 -2.858 2.323 1.00 0.00 C ATOM 687 CD1 LEU A 46 2.034 -2.400 2.996 1.00 0.00 C ATOM 688 CD2 LEU A 46 4.516 -2.605 3.227 1.00 0.00 C ATOM 0 H LEU A 46 4.093 -4.384 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 46 5.324 -4.826 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.384 -4.475 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.012 -4.907 2.856 1.00 0.00 H new ATOM 0 HG LEU A 46 3.450 -2.281 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.115 -1.344 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.195 -2.545 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.871 -2.983 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.563 -1.546 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.414 -3.193 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.430 -2.895 2.709 1.00 0.00 H new ATOM 700 N HIS A 47 4.675 -7.254 1.991 1.00 0.00 N ATOM 701 CA HIS A 47 4.525 -8.700 1.871 1.00 0.00 C ATOM 702 C HIS A 47 4.123 -9.317 3.208 1.00 0.00 C ATOM 703 O HIS A 47 4.543 -8.872 4.276 1.00 0.00 O ATOM 704 CB HIS A 47 5.827 -9.330 1.376 1.00 0.00 C ATOM 705 CG HIS A 47 7.045 -8.820 2.082 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.631 -9.478 3.143 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.790 -7.710 1.873 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.682 -8.794 3.557 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.801 -7.716 2.802 1.00 0.00 N ATOM 0 H HIS A 47 5.121 -6.946 2.855 1.00 0.00 H new ATOM 0 HA HIS A 47 3.736 -8.900 1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.769 -10.411 1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.930 -9.140 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.621 -6.959 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.333 -9.069 4.374 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.526 -7.004 2.894 1.00 0.00 H new ATOM 718 N PRO A 48 3.290 -10.367 3.149 1.00 0.00 N ATOM 719 CA PRO A 48 2.813 -11.067 4.345 1.00 0.00 C ATOM 720 C PRO A 48 3.920 -11.860 5.032 1.00 0.00 C ATOM 721 O PRO A 48 4.405 -12.857 4.499 1.00 0.00 O ATOM 722 CB PRO A 48 1.739 -12.011 3.799 1.00 0.00 C ATOM 723 CG PRO A 48 2.118 -12.234 2.376 1.00 0.00 C ATOM 724 CD PRO A 48 2.749 -10.951 1.910 1.00 0.00 C ATOM 0 HA PRO A 48 2.446 -10.375 5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.717 -12.949 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.746 -11.569 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.814 -13.067 2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.244 -12.481 1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.534 -11.133 1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.019 -10.292 1.440 1.00 0.00 H new ATOM 732 N ALA A 49 4.314 -11.410 6.219 1.00 0.00 N ATOM 733 CA ALA A 49 5.361 -12.079 6.980 1.00 0.00 C ATOM 734 C ALA A 49 4.779 -13.166 7.877 1.00 0.00 C ATOM 735 O ALA A 49 5.289 -13.426 8.968 1.00 0.00 O ATOM 736 CB ALA A 49 6.139 -11.068 7.810 1.00 0.00 C ATOM 0 H ALA A 49 3.924 -10.585 6.674 1.00 0.00 H new ATOM 0 HA ALA A 49 6.042 -12.554 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.918 -11.582 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.595 -10.330 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.462 -10.567 8.502 1.00 0.00 H new ATOM 742 N THR A 50 3.707 -13.800 7.412 1.00 0.00 N ATOM 743 CA THR A 50 3.054 -14.858 8.172 1.00 0.00 C ATOM 744 C THR A 50 3.221 -16.210 7.488 1.00 0.00 C ATOM 745 O THR A 50 3.475 -17.220 8.143 1.00 0.00 O ATOM 746 CB THR A 50 1.552 -14.571 8.358 1.00 0.00 C ATOM 747 OG1 THR A 50 0.948 -15.611 9.135 1.00 0.00 O ATOM 748 CG2 THR A 50 0.851 -14.465 7.012 1.00 0.00 C ATOM 0 H THR A 50 3.272 -13.599 6.511 1.00 0.00 H new ATOM 0 HA THR A 50 3.534 -14.887 9.150 1.00 0.00 H new ATOM 0 HB THR A 50 1.448 -13.620 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.006 -15.421 9.250 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.208 -14.262 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.294 -13.654 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.964 -15.403 6.468 1.00 0.00 H new ATOM 756 N ALA A 51 3.077 -16.221 6.167 1.00 0.00 N ATOM 757 CA ALA A 51 3.215 -17.450 5.394 1.00 0.00 C ATOM 758 C ALA A 51 4.657 -17.945 5.403 1.00 0.00 C ATOM 759 O ALA A 51 5.476 -17.513 4.593 1.00 0.00 O ATOM 760 CB ALA A 51 2.739 -17.231 3.966 1.00 0.00 C ATOM 0 H ALA A 51 2.865 -15.393 5.610 1.00 0.00 H new ATOM 0 HA ALA A 51 2.593 -18.215 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.848 -18.156 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.691 -16.931 3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.337 -16.448 3.499 1.00 0.00 H new ATOM 766 N GLU A 52 4.960 -18.854 6.326 1.00 0.00 N ATOM 767 CA GLU A 52 6.305 -19.406 6.440 1.00 0.00 C ATOM 768 C GLU A 52 6.294 -20.915 6.212 1.00 0.00 C ATOM 769 O GLU A 52 7.163 -21.456 5.528 1.00 0.00 O ATOM 770 CB GLU A 52 6.894 -19.091 7.816 1.00 0.00 C ATOM 771 CG GLU A 52 7.116 -17.608 8.058 1.00 0.00 C ATOM 772 CD GLU A 52 8.348 -17.079 7.348 1.00 0.00 C ATOM 773 OE1 GLU A 52 8.670 -17.595 6.257 1.00 0.00 O ATOM 774 OE2 GLU A 52 8.988 -16.150 7.882 1.00 0.00 O ATOM 0 H GLU A 52 4.293 -19.223 7.004 1.00 0.00 H new ATOM 0 HA GLU A 52 6.927 -18.944 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.227 -19.480 8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.844 -19.614 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.240 -17.053 7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.213 -17.429 9.129 1.00 0.00 H new ATOM 781 N ASP A 53 5.306 -21.588 6.791 1.00 0.00 N ATOM 782 CA ASP A 53 5.181 -23.034 6.651 1.00 0.00 C ATOM 783 C ASP A 53 4.213 -23.390 5.528 1.00 0.00 C ATOM 784 O ASP A 53 4.502 -24.250 4.697 1.00 0.00 O ATOM 785 CB ASP A 53 4.707 -23.656 7.966 1.00 0.00 C ATOM 786 CG ASP A 53 5.659 -23.381 9.113 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.847 -23.748 8.999 1.00 0.00 O ATOM 788 OD2 ASP A 53 5.217 -22.798 10.125 1.00 0.00 O ATOM 0 H ASP A 53 4.580 -21.155 7.362 1.00 0.00 H new ATOM 0 HA ASP A 53 6.163 -23.436 6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.721 -23.265 8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.600 -24.733 7.837 1.00 0.00 H new ATOM 793 N GLN A 54 3.063 -22.723 5.510 1.00 0.00 N ATOM 794 CA GLN A 54 2.052 -22.971 4.490 1.00 0.00 C ATOM 795 C GLN A 54 2.659 -22.898 3.093 1.00 0.00 C ATOM 796 O GLN A 54 3.841 -22.592 2.934 1.00 0.00 O ATOM 797 CB GLN A 54 0.911 -21.960 4.616 1.00 0.00 C ATOM 798 CG GLN A 54 0.125 -22.088 5.911 1.00 0.00 C ATOM 799 CD GLN A 54 -1.013 -21.091 6.003 1.00 0.00 C ATOM 800 OE1 GLN A 54 -0.796 -19.879 5.970 1.00 0.00 O ATOM 801 NE2 GLN A 54 -2.235 -21.596 6.121 1.00 0.00 N ATOM 0 H GLN A 54 2.809 -22.007 6.190 1.00 0.00 H new ATOM 0 HA GLN A 54 1.657 -23.975 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.320 -20.952 4.547 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.231 -22.086 3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.275 -23.099 5.990 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.798 -21.944 6.756 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.369 -22.607 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.040 -20.973 6.188 1.00 0.00 H new ATOM 810 N ASP A 55 1.844 -23.182 2.083 1.00 0.00 N ATOM 811 CA ASP A 55 2.301 -23.148 0.698 1.00 0.00 C ATOM 812 C ASP A 55 2.025 -21.787 0.068 1.00 0.00 C ATOM 813 O ASP A 55 1.476 -20.893 0.713 1.00 0.00 O ATOM 814 CB ASP A 55 1.616 -24.249 -0.114 1.00 0.00 C ATOM 815 CG ASP A 55 2.031 -25.638 0.329 1.00 0.00 C ATOM 816 OD1 ASP A 55 3.205 -25.812 0.717 1.00 0.00 O ATOM 817 OD2 ASP A 55 1.180 -26.551 0.288 1.00 0.00 O ATOM 0 H ASP A 55 0.863 -23.438 2.197 1.00 0.00 H new ATOM 0 HA ASP A 55 3.377 -23.319 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.535 -24.148 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.856 -24.121 -1.170 1.00 0.00 H new ATOM 822 N SER A 56 2.411 -21.636 -1.195 1.00 0.00 N ATOM 823 CA SER A 56 2.209 -20.382 -1.911 1.00 0.00 C ATOM 824 C SER A 56 2.800 -19.211 -1.132 1.00 0.00 C ATOM 825 O SER A 56 2.202 -18.138 -1.055 1.00 0.00 O ATOM 826 CB SER A 56 0.718 -20.144 -2.157 1.00 0.00 C ATOM 827 OG SER A 56 0.509 -19.402 -3.346 1.00 0.00 O ATOM 0 H SER A 56 2.865 -22.366 -1.743 1.00 0.00 H new ATOM 0 HA SER A 56 2.721 -20.454 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.200 -21.101 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.287 -19.609 -1.310 1.00 0.00 H new ATOM 0 HG SER A 56 -0.452 -19.265 -3.481 1.00 0.00 H new ATOM 833 N GLN A 57 3.979 -19.425 -0.557 1.00 0.00 N ATOM 834 CA GLN A 57 4.651 -18.388 0.217 1.00 0.00 C ATOM 835 C GLN A 57 4.894 -17.146 -0.634 1.00 0.00 C ATOM 836 O GLN A 57 5.254 -16.088 -0.117 1.00 0.00 O ATOM 837 CB GLN A 57 5.979 -18.912 0.766 1.00 0.00 C ATOM 838 CG GLN A 57 5.837 -19.683 2.069 1.00 0.00 C ATOM 839 CD GLN A 57 6.897 -20.754 2.231 1.00 0.00 C ATOM 840 OE1 GLN A 57 8.125 -20.437 1.839 1.00 0.00 O flip ATOM 841 NE2 GLN A 57 6.616 -21.856 2.705 1.00 0.00 N flip ATOM 0 H GLN A 57 4.488 -20.307 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 57 4.004 -18.115 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.442 -19.558 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.655 -18.071 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.897 -18.988 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.850 -20.145 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.659 -22.058 2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.341 -22.566 2.809 1.00 0.00 H new ATOM 850 N TYR A 58 4.695 -17.281 -1.940 1.00 0.00 N ATOM 851 CA TYR A 58 4.895 -16.170 -2.863 1.00 0.00 C ATOM 852 C TYR A 58 3.640 -15.308 -2.957 1.00 0.00 C ATOM 853 O TYR A 58 2.574 -15.782 -3.348 1.00 0.00 O ATOM 854 CB TYR A 58 5.273 -16.694 -4.250 1.00 0.00 C ATOM 855 CG TYR A 58 5.408 -15.606 -5.291 1.00 0.00 C ATOM 856 CD1 TYR A 58 4.301 -14.882 -5.717 1.00 0.00 C ATOM 857 CD2 TYR A 58 6.644 -15.301 -5.848 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.421 -13.888 -6.669 1.00 0.00 C ATOM 859 CE2 TYR A 58 6.773 -14.307 -6.799 1.00 0.00 C ATOM 860 CZ TYR A 58 5.659 -13.604 -7.207 1.00 0.00 C ATOM 861 OH TYR A 58 5.782 -12.614 -8.154 1.00 0.00 O ATOM 0 H TYR A 58 4.395 -18.149 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 58 5.709 -15.554 -2.480 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.215 -17.237 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.517 -17.408 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.330 -15.100 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.519 -15.850 -5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.550 -13.336 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.741 -14.082 -7.221 1.00 0.00 H new ATOM 0 HH TYR A 58 6.720 -12.539 -8.429 1.00 0.00 H new ATOM 871 N VAL A 59 3.776 -14.036 -2.595 1.00 0.00 N ATOM 872 CA VAL A 59 2.655 -13.104 -2.640 1.00 0.00 C ATOM 873 C VAL A 59 3.101 -11.690 -2.284 1.00 0.00 C ATOM 874 O VAL A 59 3.605 -11.446 -1.187 1.00 0.00 O ATOM 875 CB VAL A 59 1.530 -13.533 -1.680 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.110 -14.002 -0.354 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.547 -12.392 -1.467 1.00 0.00 C ATOM 0 H VAL A 59 4.651 -13.627 -2.267 1.00 0.00 H new ATOM 0 HA VAL A 59 2.275 -13.115 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 59 0.991 -14.367 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.300 -14.301 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.771 -14.851 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.675 -13.190 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.241 -12.713 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.070 -11.536 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.107 -12.108 -2.423 1.00 0.00 H new ATOM 887 N CYS A 60 2.912 -10.764 -3.216 1.00 0.00 N ATOM 888 CA CYS A 60 3.295 -9.373 -3.001 1.00 0.00 C ATOM 889 C CYS A 60 2.390 -8.431 -3.789 1.00 0.00 C ATOM 890 O CYS A 60 1.799 -8.820 -4.796 1.00 0.00 O ATOM 891 CB CYS A 60 4.754 -9.155 -3.406 1.00 0.00 C ATOM 892 SG CYS A 60 5.570 -7.802 -2.527 1.00 0.00 S ATOM 0 H CYS A 60 2.496 -10.951 -4.128 1.00 0.00 H new ATOM 0 HA CYS A 60 3.183 -9.152 -1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.310 -10.076 -3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.797 -8.956 -4.477 1.00 0.00 H new ATOM 0 HG CYS A 60 4.837 -7.435 -1.518 1.00 0.00 H new ATOM 898 N PHE A 61 2.284 -7.192 -3.321 1.00 0.00 N ATOM 899 CA PHE A 61 1.449 -6.195 -3.981 1.00 0.00 C ATOM 900 C PHE A 61 2.000 -4.790 -3.757 1.00 0.00 C ATOM 901 O PHE A 61 2.518 -4.476 -2.685 1.00 0.00 O ATOM 902 CB PHE A 61 0.012 -6.280 -3.463 1.00 0.00 C ATOM 903 CG PHE A 61 -0.202 -5.555 -2.164 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.528 -4.209 -2.153 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.076 -6.221 -0.955 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.724 -3.539 -0.960 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.272 -5.557 0.241 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.597 -4.214 0.238 1.00 0.00 C ATOM 0 H PHE A 61 2.766 -6.854 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 61 1.455 -6.402 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.661 -5.868 -4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.257 -7.328 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.630 -3.677 -3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.178 -7.271 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.976 -2.489 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.171 -6.087 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.751 -3.693 1.171 1.00 0.00 H new ATOM 918 N THR A 62 1.884 -3.946 -4.778 1.00 0.00 N ATOM 919 CA THR A 62 2.371 -2.575 -4.694 1.00 0.00 C ATOM 920 C THR A 62 1.257 -1.619 -4.285 1.00 0.00 C ATOM 921 O THR A 62 0.297 -1.412 -5.029 1.00 0.00 O ATOM 922 CB THR A 62 2.965 -2.107 -6.037 1.00 0.00 C ATOM 923 OG1 THR A 62 4.073 -2.939 -6.399 1.00 0.00 O ATOM 924 CG2 THR A 62 3.420 -0.658 -5.952 1.00 0.00 C ATOM 0 H THR A 62 1.457 -4.188 -5.672 1.00 0.00 H new ATOM 0 HA THR A 62 3.153 -2.564 -3.934 1.00 0.00 H new ATOM 0 HB THR A 62 2.189 -2.184 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.742 -3.763 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.836 -0.350 -6.912 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.569 -0.023 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.182 -0.561 -5.179 1.00 0.00 H new ATOM 932 N LEU A 63 1.388 -1.038 -3.097 1.00 0.00 N ATOM 933 CA LEU A 63 0.392 -0.103 -2.588 1.00 0.00 C ATOM 934 C LEU A 63 0.635 1.301 -3.132 1.00 0.00 C ATOM 935 O LEU A 63 1.667 1.914 -2.859 1.00 0.00 O ATOM 936 CB LEU A 63 0.418 -0.081 -1.059 1.00 0.00 C ATOM 937 CG LEU A 63 -0.890 0.310 -0.370 1.00 0.00 C ATOM 938 CD1 LEU A 63 -1.009 -0.379 0.980 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.978 1.821 -0.210 1.00 0.00 C ATOM 0 H LEU A 63 2.175 -1.199 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.589 -0.438 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.709 -1.070 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.195 0.613 -0.739 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.720 -0.018 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.946 -0.089 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.993 -1.460 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.173 -0.083 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.915 2.081 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.141 2.172 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.940 2.294 -1.191 1.00 0.00 H new ATOM 951 N VAL A 64 -0.324 1.806 -3.902 1.00 0.00 N ATOM 952 CA VAL A 64 -0.216 3.140 -4.482 1.00 0.00 C ATOM 953 C VAL A 64 -1.194 4.106 -3.825 1.00 0.00 C ATOM 954 O VAL A 64 -2.397 3.847 -3.770 1.00 0.00 O ATOM 955 CB VAL A 64 -0.478 3.115 -6.000 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.322 4.507 -6.592 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.456 2.128 -6.685 1.00 0.00 C ATOM 0 H VAL A 64 -1.184 1.312 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 64 0.803 3.481 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.504 2.787 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.511 4.469 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.035 5.184 -6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.692 4.866 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.257 2.123 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.490 2.424 -6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.290 1.129 -6.281 1.00 0.00 H new ATOM 967 N LEU A 65 -0.671 5.221 -3.327 1.00 0.00 N ATOM 968 CA LEU A 65 -1.499 6.229 -2.672 1.00 0.00 C ATOM 969 C LEU A 65 -1.470 7.543 -3.446 1.00 0.00 C ATOM 970 O LEU A 65 -0.401 8.062 -3.766 1.00 0.00 O ATOM 971 CB LEU A 65 -1.020 6.457 -1.238 1.00 0.00 C ATOM 972 CG LEU A 65 -1.252 5.304 -0.261 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.271 5.381 0.899 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.685 5.316 0.249 1.00 0.00 C ATOM 0 H LEU A 65 0.322 5.450 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.526 5.864 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.047 6.676 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.518 7.344 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.084 4.366 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.451 4.552 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.748 5.321 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.406 6.325 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.831 4.488 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.881 6.258 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.371 5.210 -0.591 1.00 0.00 H new ATOM 986 N GLN A 66 -2.651 8.076 -3.740 1.00 0.00 N ATOM 987 CA GLN A 66 -2.761 9.331 -4.475 1.00 0.00 C ATOM 988 C GLN A 66 -3.344 10.430 -3.592 1.00 0.00 C ATOM 989 O GLN A 66 -4.558 10.514 -3.408 1.00 0.00 O ATOM 990 CB GLN A 66 -3.631 9.145 -5.719 1.00 0.00 C ATOM 991 CG GLN A 66 -2.846 8.740 -6.956 1.00 0.00 C ATOM 992 CD GLN A 66 -3.663 7.900 -7.917 1.00 0.00 C ATOM 993 OE1 GLN A 66 -4.451 8.425 -8.704 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.479 6.586 -7.858 1.00 0.00 N ATOM 0 H GLN A 66 -3.545 7.659 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.759 9.630 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.386 8.386 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.161 10.075 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.497 9.636 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.961 8.181 -6.653 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.815 6.193 -7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.001 5.969 -8.481 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.470 11.270 -3.046 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.898 12.364 -2.183 1.00 0.00 C ATOM 1005 C VAL A 67 -3.339 13.571 -3.003 1.00 0.00 C ATOM 1006 O VAL A 67 -2.537 14.232 -3.662 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.774 12.793 -1.221 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.325 13.686 -0.120 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.081 11.573 -0.634 1.00 0.00 C ATOM 0 H VAL A 67 -1.461 11.213 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.743 11.996 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.036 13.365 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.516 13.979 0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.770 14.577 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.084 13.143 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.290 11.895 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.806 10.972 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.650 10.977 -1.439 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.647 13.868 -2.962 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.225 14.998 -3.695 1.00 0.00 C ATOM 1021 C PRO A 68 -4.801 16.343 -3.115 1.00 0.00 C ATOM 1022 O PRO A 68 -3.984 16.404 -2.197 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.733 14.795 -3.529 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.873 14.012 -2.270 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.661 13.124 -2.198 1.00 0.00 C ATOM 0 HA PRO A 68 -4.896 15.021 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.256 15.749 -3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.156 14.258 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.926 14.672 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.789 13.422 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.346 12.957 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.854 12.144 -2.635 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.363 17.419 -3.656 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.045 18.763 -3.190 1.00 0.00 C ATOM 1035 C ALA A 69 -5.732 19.060 -1.861 1.00 0.00 C ATOM 1036 O ALA A 69 -5.116 19.592 -0.939 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.446 19.793 -4.236 1.00 0.00 C ATOM 0 H ALA A 69 -6.041 17.386 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.968 18.821 -3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.203 20.792 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.905 19.600 -5.162 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.518 19.725 -4.421 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.013 18.714 -1.772 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.783 18.946 -0.556 1.00 0.00 C ATOM 1045 C GLU A 70 -7.022 18.455 0.672 1.00 0.00 C ATOM 1046 O GLU A 70 -6.962 19.140 1.693 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.140 18.243 -0.644 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.099 18.892 -1.627 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.212 17.957 -2.060 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -10.934 16.756 -2.261 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -12.361 18.427 -2.198 1.00 0.00 O ATOM 0 H GLU A 70 -7.538 18.273 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.943 20.020 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.983 17.204 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.599 18.232 0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.534 19.782 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.545 19.222 -2.505 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.443 17.264 0.565 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.689 16.680 1.667 1.00 0.00 C ATOM 1060 C TYR A 71 -5.014 17.764 2.501 1.00 0.00 C ATOM 1061 O TYR A 71 -4.501 18.755 1.980 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.638 15.704 1.133 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.763 15.107 2.211 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.877 15.898 2.932 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.822 13.751 2.509 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.075 15.356 3.917 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.025 13.200 3.494 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.152 14.007 4.195 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.356 13.463 5.176 1.00 0.00 O ATOM 0 H TYR A 71 -6.482 16.685 -0.274 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.388 16.139 2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.141 14.899 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.007 16.222 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.814 16.955 2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.503 13.117 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.391 15.985 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.085 12.144 3.714 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.800 14.166 5.573 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.013 17.573 3.829 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.620 16.398 4.460 1.00 0.00 C ATOM 1081 C PRO A 72 -7.142 16.410 4.364 1.00 0.00 C ATOM 1082 O PRO A 72 -7.787 15.363 4.432 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.175 16.509 5.920 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.925 17.963 6.130 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.418 18.490 4.816 1.00 0.00 C ATOM 0 HA PRO A 72 -5.312 15.471 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.944 16.138 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.276 15.922 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.838 18.477 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.194 18.123 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.732 19.520 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.329 18.477 4.771 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.711 17.601 4.207 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.158 17.749 4.101 1.00 0.00 C ATOM 1095 C HIS A 73 -9.781 16.531 3.425 1.00 0.00 C ATOM 1096 O HIS A 73 -10.839 16.057 3.836 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.506 19.015 3.317 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.041 20.276 3.979 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -9.601 20.768 5.139 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -8.061 21.146 3.637 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -8.987 21.887 5.481 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.048 22.138 4.586 1.00 0.00 N ATOM 0 H HIS A 73 -7.192 18.477 4.150 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.565 17.831 5.109 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.062 18.951 2.324 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.586 19.063 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.411 21.073 2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.214 22.493 6.345 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.416 22.939 4.598 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.117 16.032 2.387 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.607 14.871 1.655 1.00 0.00 C ATOM 1113 C GLU A 74 -8.668 13.681 1.829 1.00 0.00 C ATOM 1114 O GLU A 74 -7.454 13.846 1.944 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.756 15.203 0.168 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.479 14.128 -0.626 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.980 14.153 -0.409 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.502 15.205 0.016 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.633 13.119 -0.664 1.00 0.00 O ATOM 0 H GLU A 74 -8.239 16.414 2.035 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.583 14.604 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.297 16.144 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.766 15.357 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.267 14.260 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.091 13.150 -0.343 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.240 12.481 1.849 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.455 11.263 2.009 1.00 0.00 C ATOM 1128 C VAL A 75 -7.888 10.794 0.674 1.00 0.00 C ATOM 1129 O VAL A 75 -8.550 10.849 -0.363 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.298 10.129 2.623 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.861 10.551 3.971 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.415 9.722 1.673 1.00 0.00 C ATOM 0 H VAL A 75 -10.244 12.327 1.756 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.634 11.503 2.684 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.653 9.265 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.453 9.737 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.042 10.789 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.492 11.430 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.001 8.920 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.060 10.579 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.985 9.375 0.733 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.633 10.322 0.696 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.949 9.834 -0.505 1.00 0.00 C ATOM 1144 C PRO A 76 -6.537 8.523 -1.014 1.00 0.00 C ATOM 1145 O PRO A 76 -6.642 7.549 -0.269 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.508 9.626 -0.032 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.620 9.397 1.436 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.785 10.229 1.897 1.00 0.00 C ATOM 0 HA PRO A 76 -6.042 10.530 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.047 8.774 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.890 10.497 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.783 8.342 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.704 9.691 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.313 9.758 2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.465 11.213 2.241 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.920 8.505 -2.287 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.497 7.313 -2.894 1.00 0.00 C ATOM 1158 C GLN A 77 -6.523 6.141 -2.829 1.00 0.00 C ATOM 1159 O GLN A 77 -5.487 6.146 -3.494 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.882 7.590 -4.348 1.00 0.00 C ATOM 1161 CG GLN A 77 -6.726 8.089 -5.199 1.00 0.00 C ATOM 1162 CD GLN A 77 -7.181 8.650 -6.532 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -7.171 9.863 -6.744 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -7.583 7.767 -7.439 1.00 0.00 N ATOM 0 H GLN A 77 -6.841 9.303 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.393 7.049 -2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.280 6.677 -4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.683 8.329 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.183 8.859 -4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.028 7.270 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.574 6.771 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.900 8.085 -8.355 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.861 5.141 -2.023 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.016 3.963 -1.872 1.00 0.00 C ATOM 1175 C ILE A 78 -6.239 2.975 -3.012 1.00 0.00 C ATOM 1176 O ILE A 78 -7.345 2.466 -3.198 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.277 3.250 -0.532 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.084 4.223 0.634 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.357 2.048 -0.383 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -6.942 3.901 1.838 1.00 0.00 C ATOM 0 H ILE A 78 -7.714 5.123 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.984 4.312 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.308 2.897 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.036 4.216 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.312 5.233 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.554 1.555 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.538 1.348 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.319 2.379 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.753 4.631 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.994 3.936 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.698 2.903 2.203 1.00 0.00 H new ATOM 1192 N SER A 79 -5.182 2.708 -3.772 1.00 0.00 N ATOM 1193 CA SER A 79 -5.264 1.783 -4.896 1.00 0.00 C ATOM 1194 C SER A 79 -4.202 0.693 -4.780 1.00 0.00 C ATOM 1195 O SER A 79 -3.285 0.789 -3.964 1.00 0.00 O ATOM 1196 CB SER A 79 -5.096 2.536 -6.217 1.00 0.00 C ATOM 1197 OG SER A 79 -3.741 2.889 -6.435 1.00 0.00 O ATOM 0 H SER A 79 -4.259 3.119 -3.630 1.00 0.00 H new ATOM 0 HA SER A 79 -6.247 1.313 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.450 1.916 -7.040 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.712 3.435 -6.207 1.00 0.00 H new ATOM 0 HG SER A 79 -3.372 3.291 -5.621 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.333 -0.342 -5.603 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.385 -1.449 -5.595 1.00 0.00 C ATOM 1205 C ILE A 80 -3.010 -1.862 -7.014 1.00 0.00 C ATOM 1206 O ILE A 80 -3.879 -2.105 -7.851 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.953 -2.671 -4.850 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.261 -2.311 -3.395 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.976 -3.835 -4.918 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -5.018 -3.389 -2.652 1.00 0.00 C ATOM 0 H ILE A 80 -5.087 -0.437 -6.284 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.494 -1.098 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.882 -2.973 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.325 -2.110 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.842 -1.389 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.392 -4.691 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.802 -4.104 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.032 -3.545 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.201 -3.065 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.970 -3.574 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.429 -4.306 -2.642 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.709 -1.942 -7.277 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.218 -2.326 -8.594 1.00 0.00 C ATOM 1224 C ARG A 81 -0.466 -3.652 -8.528 1.00 0.00 C ATOM 1225 O ARG A 81 0.007 -4.056 -7.467 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.306 -1.237 -9.160 1.00 0.00 C ATOM 1227 CG ARG A 81 -1.043 -0.186 -9.974 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.077 0.723 -10.716 1.00 0.00 C ATOM 1229 NE ARG A 81 0.645 0.013 -11.769 1.00 0.00 N ATOM 1230 CZ ARG A 81 0.123 -0.264 -12.959 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -1.117 0.108 -13.246 1.00 0.00 N ATOM 1232 NH2 ARG A 81 0.842 -0.914 -13.865 1.00 0.00 N ATOM 0 H ARG A 81 -0.977 -1.746 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.077 -2.448 -9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.215 -0.747 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.455 -1.702 -9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.705 -0.676 -10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.672 0.411 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.627 1.557 -11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.637 1.147 -10.010 1.00 0.00 H new ATOM 0 HE ARG A 81 1.602 -0.286 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.673 0.608 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.515 -0.106 -14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.796 -1.202 -13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.440 -1.126 -14.778 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.360 -4.324 -9.670 1.00 0.00 N ATOM 1247 CA ASN A 82 0.335 -5.605 -9.742 1.00 0.00 C ATOM 1248 C ASN A 82 -0.020 -6.483 -8.546 1.00 0.00 C ATOM 1249 O ASN A 82 0.849 -7.029 -7.866 1.00 0.00 O ATOM 1250 CB ASN A 82 1.848 -5.386 -9.797 1.00 0.00 C ATOM 1251 CG ASN A 82 2.325 -4.381 -8.765 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.481 -4.709 -7.589 1.00 0.00 O ATOM 1253 ND2 ASN A 82 2.558 -3.149 -9.203 1.00 0.00 N ATOM 0 H ASN A 82 -0.746 -4.003 -10.558 1.00 0.00 H new ATOM 0 HA ASN A 82 0.015 -6.113 -10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.356 -6.337 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.126 -5.040 -10.793 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.880 -2.430 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.415 -2.922 -10.187 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.328 -6.624 -8.283 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.828 -7.437 -7.170 1.00 0.00 C ATOM 1262 C PRO A 83 -1.613 -8.929 -7.399 1.00 0.00 C ATOM 1263 O PRO A 83 -2.516 -9.633 -7.851 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.324 -7.111 -7.137 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.650 -6.688 -8.528 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.419 -6.002 -9.052 1.00 0.00 C ATOM 0 HA PRO A 83 -1.308 -7.215 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.912 -7.979 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.541 -6.318 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.911 -7.547 -9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.507 -6.015 -8.540 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.296 -6.160 -10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.460 -4.925 -8.891 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.413 -9.404 -7.083 1.00 0.00 N ATOM 1275 CA ARG A 84 -0.080 -10.813 -7.255 1.00 0.00 C ATOM 1276 C ARG A 84 -0.145 -11.554 -5.923 1.00 0.00 C ATOM 1277 O ARG A 84 -0.003 -10.953 -4.859 1.00 0.00 O ATOM 1278 CB ARG A 84 1.316 -10.958 -7.864 1.00 0.00 C ATOM 1279 CG ARG A 84 1.318 -10.992 -9.383 1.00 0.00 C ATOM 1280 CD ARG A 84 0.792 -12.317 -9.912 1.00 0.00 C ATOM 1281 NE ARG A 84 1.854 -13.309 -10.057 1.00 0.00 N ATOM 1282 CZ ARG A 84 2.663 -13.371 -11.108 1.00 0.00 C ATOM 1283 NH1 ARG A 84 2.532 -12.503 -12.102 1.00 0.00 N ATOM 1284 NH2 ARG A 84 3.606 -14.303 -11.168 1.00 0.00 N ATOM 0 H ARG A 84 0.345 -8.834 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.812 -11.253 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.938 -10.129 -7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.774 -11.873 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.705 -10.177 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.331 -10.829 -9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.028 -12.700 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.311 -12.157 -10.877 1.00 0.00 H new ATOM 0 HE ARG A 84 1.981 -13.992 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.808 -11.785 -12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.155 -12.553 -12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.710 -14.973 -10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.227 -14.349 -11.976 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.363 -12.864 -5.990 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.445 -13.665 -4.783 1.00 0.00 C ATOM 1300 C GLY A 85 -1.793 -13.551 -4.101 1.00 0.00 C ATOM 1301 O GLY A 85 -2.353 -14.548 -3.644 1.00 0.00 O ATOM 0 H GLY A 85 -0.484 -13.385 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.254 -14.709 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.337 -13.353 -4.090 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.317 -12.332 -4.030 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.609 -12.090 -3.397 1.00 0.00 C ATOM 1307 C LEU A 86 -4.750 -12.318 -4.384 1.00 0.00 C ATOM 1308 O LEU A 86 -4.574 -12.180 -5.594 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.671 -10.663 -2.849 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.583 -10.282 -1.845 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.292 -8.791 -1.914 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.994 -10.683 -0.435 1.00 0.00 C ATOM 0 H LEU A 86 -1.867 -11.496 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.720 -12.794 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.621 -9.970 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.642 -10.519 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.672 -10.821 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.515 -8.538 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.953 -8.532 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.199 -8.232 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.208 -10.404 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.918 -10.172 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.151 -11.761 -0.394 1.00 0.00 H new ATOM 1324 N SER A 87 -5.920 -12.666 -3.857 1.00 0.00 N ATOM 1325 CA SER A 87 -7.090 -12.915 -4.691 1.00 0.00 C ATOM 1326 C SER A 87 -7.996 -11.689 -4.735 1.00 0.00 C ATOM 1327 O SER A 87 -7.942 -10.831 -3.854 1.00 0.00 O ATOM 1328 CB SER A 87 -7.870 -14.122 -4.166 1.00 0.00 C ATOM 1329 OG SER A 87 -9.016 -14.374 -4.961 1.00 0.00 O ATOM 0 H SER A 87 -6.083 -12.782 -2.857 1.00 0.00 H new ATOM 0 HA SER A 87 -6.746 -13.127 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.226 -15.001 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.172 -13.943 -3.134 1.00 0.00 H new ATOM 0 HG SER A 87 -9.496 -15.151 -4.606 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.829 -11.613 -5.767 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.749 -10.493 -5.927 1.00 0.00 C ATOM 1337 C ASP A 88 -10.444 -10.168 -4.609 1.00 0.00 C ATOM 1338 O ASP A 88 -10.526 -9.008 -4.209 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.790 -10.810 -7.002 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.632 -9.603 -7.366 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -11.136 -8.739 -8.119 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -12.787 -9.522 -6.898 1.00 0.00 O ATOM 0 H ASP A 88 -8.886 -12.314 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.172 -9.622 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.285 -11.180 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.441 -11.610 -6.649 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.945 -11.202 -3.939 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.635 -11.025 -2.667 1.00 0.00 C ATOM 1349 C GLU A 89 -10.723 -10.357 -1.641 1.00 0.00 C ATOM 1350 O GLU A 89 -11.111 -9.390 -0.988 1.00 0.00 O ATOM 1351 CB GLU A 89 -12.119 -12.374 -2.132 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.181 -12.255 -1.051 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.989 -13.527 -0.885 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.942 -13.730 -1.667 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.670 -14.319 0.026 1.00 0.00 O ATOM 0 H GLU A 89 -10.886 -12.170 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.496 -10.379 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.519 -12.961 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.267 -12.924 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.703 -12.006 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.852 -11.432 -1.295 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.509 -10.882 -1.507 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.542 -10.338 -0.561 1.00 0.00 C ATOM 1364 C GLN A 90 -8.207 -8.889 -0.898 1.00 0.00 C ATOM 1365 O GLN A 90 -8.319 -8.002 -0.051 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.267 -11.182 -0.560 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.469 -12.590 -0.026 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.267 -13.483 -0.261 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.982 -13.875 -1.393 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.553 -13.809 0.810 1.00 0.00 N ATOM 0 H GLN A 90 -9.172 -11.683 -2.041 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.988 -10.367 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.879 -11.240 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.509 -10.680 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.678 -12.542 1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.344 -13.033 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.825 -13.462 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.732 -14.407 0.713 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.795 -8.656 -2.140 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.444 -7.314 -2.588 1.00 0.00 C ATOM 1381 C ILE A 91 -8.477 -6.292 -2.126 1.00 0.00 C ATOM 1382 O ILE A 91 -8.134 -5.283 -1.509 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.323 -7.247 -4.122 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.253 -8.223 -4.615 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.998 -5.828 -4.566 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.322 -8.497 -6.101 1.00 0.00 C ATOM 0 H ILE A 91 -7.696 -9.379 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.477 -7.076 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.279 -7.534 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.269 -7.822 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.355 -9.164 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.916 -5.797 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.792 -5.155 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.053 -5.515 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.534 -9.197 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.293 -8.927 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.189 -7.564 -6.649 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.743 -6.561 -2.426 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.828 -5.666 -2.039 1.00 0.00 C ATOM 1400 C HIS A 92 -10.825 -5.429 -0.532 1.00 0.00 C ATOM 1401 O HIS A 92 -10.946 -4.294 -0.070 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.175 -6.245 -2.473 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.271 -5.227 -2.539 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.177 -4.065 -3.276 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -14.492 -5.201 -1.954 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.291 -3.369 -3.141 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -15.106 -4.037 -2.344 1.00 0.00 N ATOM 0 H HIS A 92 -10.043 -7.392 -2.936 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.674 -4.710 -2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.063 -6.710 -3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.464 -7.033 -1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.906 -5.956 -1.302 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -14.500 -2.416 -3.603 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -16.040 -3.737 -2.064 1.00 0.00 H new ATOM 1416 N THR A 93 -10.685 -6.508 0.232 1.00 0.00 N ATOM 1417 CA THR A 93 -10.668 -6.418 1.686 1.00 0.00 C ATOM 1418 C THR A 93 -9.590 -5.453 2.165 1.00 0.00 C ATOM 1419 O THR A 93 -9.674 -4.911 3.268 1.00 0.00 O ATOM 1420 CB THR A 93 -10.431 -7.797 2.332 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.358 -8.751 1.803 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.581 -7.719 3.844 1.00 0.00 C ATOM 0 H THR A 93 -10.582 -7.455 -0.133 1.00 0.00 H new ATOM 0 HA THR A 93 -11.646 -6.046 1.991 1.00 0.00 H new ATOM 0 HB THR A 93 -9.414 -8.113 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.084 -9.006 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.409 -8.704 4.278 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.854 -7.014 4.246 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.588 -7.383 4.093 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.579 -5.241 1.330 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.485 -4.339 1.668 1.00 0.00 C ATOM 1432 C ILE A 94 -7.839 -2.895 1.328 1.00 0.00 C ATOM 1433 O ILE A 94 -7.358 -1.960 1.969 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.189 -4.725 0.931 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.842 -6.192 1.198 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.045 -3.819 1.361 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.855 -6.769 0.208 1.00 0.00 C ATOM 0 H ILE A 94 -8.495 -5.682 0.414 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.323 -4.428 2.742 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.346 -4.597 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.431 -6.283 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.757 -6.784 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.136 -4.104 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.292 -2.784 1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.886 -3.919 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.656 -7.811 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.272 -6.711 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.925 -6.202 0.249 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.683 -2.721 0.318 1.00 0.00 N ATOM 1450 CA LEU A 95 -9.104 -1.390 -0.106 1.00 0.00 C ATOM 1451 C LEU A 95 -10.147 -0.818 0.848 1.00 0.00 C ATOM 1452 O LEU A 95 -10.110 0.364 1.187 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.669 -1.441 -1.527 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.738 -2.004 -2.600 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.535 -2.465 -3.811 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.702 -0.965 -3.006 1.00 0.00 C ATOM 0 H LEU A 95 -9.090 -3.484 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.230 -0.738 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.579 -2.041 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.957 -0.431 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.216 -2.866 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.855 -2.863 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.238 -3.242 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.084 -1.621 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.048 -1.383 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.206 -0.084 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.109 -0.683 -2.136 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.074 -1.667 1.280 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.127 -1.245 2.198 1.00 0.00 C ATOM 1470 C GLN A 96 -11.546 -0.872 3.557 1.00 0.00 C ATOM 1471 O GLN A 96 -11.808 0.212 4.080 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.165 -2.357 2.361 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.621 -3.602 3.042 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.566 -4.783 2.940 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -13.961 -5.366 3.951 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -13.935 -5.143 1.716 1.00 0.00 N ATOM 0 H GLN A 96 -11.118 -2.650 1.010 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.611 -0.364 1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.007 -1.975 2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.551 -2.629 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.664 -3.868 2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.431 -3.383 4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.584 -4.632 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.570 -5.931 1.586 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.756 -1.777 4.127 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.137 -1.542 5.426 1.00 0.00 C ATOM 1487 C VAL A 97 -9.383 -0.217 5.444 1.00 0.00 C ATOM 1488 O VAL A 97 -9.654 0.652 6.274 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.165 -2.678 5.798 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.181 -2.932 4.666 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -8.432 -2.349 7.090 1.00 0.00 C ATOM 0 H VAL A 97 -10.530 -2.680 3.709 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.943 -1.508 6.159 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.742 -3.589 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.503 -3.738 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.727 -3.215 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.607 -2.026 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.750 -3.162 7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.866 -1.426 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.155 -2.223 7.896 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.436 -0.068 4.524 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.643 1.152 4.434 1.00 0.00 C ATOM 1503 C LEU A 98 -8.532 2.361 4.162 1.00 0.00 C ATOM 1504 O LEU A 98 -8.405 3.397 4.814 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.591 1.019 3.331 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.419 0.084 3.630 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.423 0.093 2.481 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.738 0.482 4.931 1.00 0.00 C ATOM 0 H LEU A 98 -8.199 -0.777 3.830 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.141 1.302 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.086 0.670 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.193 2.010 3.115 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.806 -0.929 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.596 -0.578 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.917 -0.240 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.041 1.104 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.906 -0.194 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.364 1.503 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.455 0.423 5.750 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.434 2.221 3.195 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.332 3.308 2.855 1.00 0.00 C ATOM 1522 C GLY A 99 -10.805 4.073 4.075 1.00 0.00 C ATOM 1523 O GLY A 99 -10.732 5.301 4.114 1.00 0.00 O ATOM 0 H GLY A 99 -9.558 1.374 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.827 3.993 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.196 2.909 2.323 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.293 3.345 5.075 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.781 3.963 6.303 1.00 0.00 C ATOM 1529 C HIS A 100 -10.640 4.628 7.067 1.00 0.00 C ATOM 1530 O HIS A 100 -10.686 5.824 7.355 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.462 2.920 7.188 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.417 3.251 8.648 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -12.692 4.508 9.144 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -12.128 2.480 9.723 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -12.573 4.496 10.459 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.232 3.277 10.836 1.00 0.00 N ATOM 0 H HIS A 100 -11.361 2.327 5.059 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.508 4.728 6.031 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.502 2.817 6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.985 1.953 7.028 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.865 1.433 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.728 5.340 11.115 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.072 2.977 11.798 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.616 3.845 7.393 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.463 4.358 8.123 1.00 0.00 C ATOM 1547 C VAL A 101 -8.114 5.773 7.675 1.00 0.00 C ATOM 1548 O VAL A 101 -7.765 6.625 8.491 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.231 3.453 7.935 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.016 4.053 8.625 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.515 2.053 8.459 1.00 0.00 C ATOM 0 H VAL A 101 -9.562 2.853 7.163 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.737 4.371 9.178 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.014 3.381 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.156 3.399 8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.802 5.033 8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.218 4.158 9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.634 1.426 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.758 2.104 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.356 1.624 7.914 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.210 6.015 6.372 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.907 7.328 5.814 1.00 0.00 C ATOM 1563 C ALA A 102 -8.692 8.422 6.529 1.00 0.00 C ATOM 1564 O ALA A 102 -8.111 9.350 7.094 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.206 7.350 4.323 1.00 0.00 C ATOM 0 H ALA A 102 -8.495 5.319 5.683 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.845 7.522 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.975 8.336 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.597 6.600 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.261 7.129 4.160 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.016 8.310 6.500 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.882 9.290 7.146 1.00 0.00 C ATOM 1573 C LYS A 103 -10.595 9.367 8.642 1.00 0.00 C ATOM 1574 O LYS A 103 -10.515 10.454 9.212 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.352 8.932 6.915 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.764 8.966 5.454 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.912 8.011 5.176 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.670 8.402 3.916 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.307 7.224 3.264 1.00 0.00 N ATOM 0 H LYS A 103 -10.513 7.550 6.036 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.678 10.266 6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.542 7.936 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.979 9.625 7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.059 9.979 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.911 8.703 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.526 6.997 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.595 8.004 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.435 9.137 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.986 8.880 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.814 7.532 2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.574 6.534 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.978 6.783 3.924 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.439 8.207 9.271 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.158 8.144 10.700 1.00 0.00 C ATOM 1595 C ALA A 104 -8.950 9.003 11.059 1.00 0.00 C ATOM 1596 O ALA A 104 -8.758 9.366 12.219 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.930 6.702 11.130 1.00 0.00 C ATOM 0 H ALA A 104 -10.502 7.298 8.813 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.023 8.538 11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.721 6.670 12.199 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.822 6.113 10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.083 6.289 10.582 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.138 9.324 10.057 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.959 10.137 10.289 1.00 0.00 C ATOM 1605 C GLY A 105 -6.986 11.435 9.506 1.00 0.00 C ATOM 1606 O GLY A 105 -5.966 11.866 8.967 1.00 0.00 O ATOM 0 H GLY A 105 -8.276 9.035 9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.879 10.360 11.353 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.070 9.569 10.014 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.157 12.060 9.441 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.314 13.316 8.716 1.00 0.00 C ATOM 1612 C LEU A 106 -7.956 14.505 9.603 1.00 0.00 C ATOM 1613 O LEU A 106 -8.102 14.448 10.823 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.749 13.459 8.208 1.00 0.00 C ATOM 1615 CG LEU A 106 -10.024 12.908 6.808 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.520 12.778 6.569 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.388 13.799 5.751 1.00 0.00 C ATOM 0 H LEU A 106 -9.011 11.718 9.881 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.633 13.303 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.414 12.957 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.013 14.516 8.219 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.579 11.916 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.696 12.385 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.949 12.099 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.990 13.757 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.593 13.392 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.804 14.804 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.310 13.840 5.910 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.487 15.582 8.980 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.117 16.769 9.728 1.00 0.00 C ATOM 1631 C GLY A 107 -5.632 16.830 10.023 1.00 0.00 C ATOM 1632 O GLY A 107 -5.085 17.902 10.282 1.00 0.00 O ATOM 0 H GLY A 107 -7.357 15.653 7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.409 17.655 9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.672 16.791 10.666 1.00 0.00 H new ATOM 1636 N THR A 108 -4.975 15.675 9.985 1.00 0.00 N ATOM 1637 CA THR A 108 -3.544 15.600 10.253 1.00 0.00 C ATOM 1638 C THR A 108 -2.891 14.484 9.446 1.00 0.00 C ATOM 1639 O THR A 108 -3.566 13.750 8.725 1.00 0.00 O ATOM 1640 CB THR A 108 -3.265 15.366 11.750 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.903 14.160 12.185 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.762 16.538 12.583 1.00 0.00 C ATOM 0 H THR A 108 -5.411 14.778 9.771 1.00 0.00 H new ATOM 0 HA THR A 108 -3.116 16.557 9.956 1.00 0.00 H new ATOM 0 HB THR A 108 -2.187 15.275 11.886 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.719 14.018 13.137 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.554 16.350 13.636 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.252 17.449 12.270 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.836 16.656 12.441 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.574 14.362 9.572 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.830 13.333 8.856 1.00 0.00 C ATOM 1652 C ALA A 109 -1.502 11.971 8.996 1.00 0.00 C ATOM 1653 O ALA A 109 -1.859 11.556 10.098 1.00 0.00 O ATOM 1654 CB ALA A 109 0.604 13.270 9.361 1.00 0.00 C ATOM 0 H ALA A 109 -1.000 14.963 10.163 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.820 13.597 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.148 12.497 8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.088 14.234 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.605 13.034 10.425 1.00 0.00 H new ATOM 1660 N MET A 110 -1.672 11.282 7.873 1.00 0.00 N ATOM 1661 CA MET A 110 -2.302 9.966 7.871 1.00 0.00 C ATOM 1662 C MET A 110 -1.441 8.952 7.125 1.00 0.00 C ATOM 1663 O MET A 110 -1.400 7.774 7.483 1.00 0.00 O ATOM 1664 CB MET A 110 -3.690 10.042 7.233 1.00 0.00 C ATOM 1665 CG MET A 110 -3.757 10.973 6.033 1.00 0.00 C ATOM 1666 SD MET A 110 -5.263 10.753 5.067 1.00 0.00 S ATOM 1667 CE MET A 110 -6.264 12.103 5.688 1.00 0.00 C ATOM 0 H MET A 110 -1.383 11.612 6.952 1.00 0.00 H new ATOM 0 HA MET A 110 -2.404 9.638 8.906 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.994 9.042 6.924 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.408 10.376 7.982 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.697 12.006 6.376 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.891 10.799 5.394 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.235 11.721 6.002 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.764 12.566 6.539 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.403 12.845 4.901 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.754 9.416 6.087 1.00 0.00 N ATOM 1678 CA LEU A 111 0.107 8.549 5.290 1.00 0.00 C ATOM 1679 C LEU A 111 0.772 7.491 6.163 1.00 0.00 C ATOM 1680 O LEU A 111 0.807 6.312 5.810 1.00 0.00 O ATOM 1681 CB LEU A 111 1.173 9.378 4.571 1.00 0.00 C ATOM 1682 CG LEU A 111 0.659 10.535 3.714 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.808 11.435 3.288 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.087 10.008 2.498 1.00 0.00 C ATOM 0 H LEU A 111 -0.776 10.388 5.778 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.513 8.044 4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.856 9.782 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.755 8.711 3.934 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.035 11.125 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.423 12.253 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.299 11.841 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.527 10.857 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.446 10.846 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.584 9.394 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.935 9.406 2.824 1.00 0.00 H new ATOM 1696 N TYR A 112 1.299 7.919 7.305 1.00 0.00 N ATOM 1697 CA TYR A 112 1.963 7.008 8.230 1.00 0.00 C ATOM 1698 C TYR A 112 1.047 5.847 8.603 1.00 0.00 C ATOM 1699 O TYR A 112 1.362 4.686 8.343 1.00 0.00 O ATOM 1700 CB TYR A 112 2.398 7.756 9.491 1.00 0.00 C ATOM 1701 CG TYR A 112 3.283 6.938 10.405 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.635 6.774 10.130 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.767 6.330 11.543 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.447 6.027 10.962 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.572 5.583 12.381 1.00 0.00 C ATOM 1706 CZ TYR A 112 4.911 5.434 12.086 1.00 0.00 C ATOM 1707 OH TYR A 112 5.716 4.690 12.917 1.00 0.00 O ATOM 0 H TYR A 112 1.279 8.891 7.612 1.00 0.00 H new ATOM 0 HA TYR A 112 2.845 6.605 7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 112 2.929 8.663 9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.511 8.069 10.042 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.058 7.238 9.251 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.719 6.443 11.776 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.496 5.908 10.733 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.155 5.118 13.262 1.00 0.00 H new ATOM 0 HH TYR A 112 5.184 4.343 13.663 1.00 0.00 H new ATOM 1717 N GLU A 113 -0.088 6.170 9.215 1.00 0.00 N ATOM 1718 CA GLU A 113 -1.050 5.154 9.624 1.00 0.00 C ATOM 1719 C GLU A 113 -1.353 4.197 8.475 1.00 0.00 C ATOM 1720 O GLU A 113 -1.085 2.998 8.563 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.344 5.811 10.110 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.341 6.138 11.594 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.422 7.131 11.974 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.556 6.693 12.261 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.134 8.346 11.987 1.00 0.00 O ATOM 0 H GLU A 113 -0.363 7.126 9.438 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.611 4.584 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.510 6.728 9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.182 5.148 9.895 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.479 5.220 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.368 6.542 11.871 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.915 4.734 7.398 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.256 3.929 6.230 1.00 0.00 C ATOM 1734 C LEU A 114 -1.212 2.842 5.995 1.00 0.00 C ATOM 1735 O LEU A 114 -1.525 1.651 6.020 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.373 4.817 4.990 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.644 5.661 4.887 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.530 6.659 3.745 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.862 4.770 4.699 1.00 0.00 C ATOM 0 H LEU A 114 -2.144 5.724 7.309 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.217 3.450 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.513 5.486 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.309 4.183 4.106 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.765 6.216 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.443 7.251 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.681 7.319 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.384 6.123 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.757 5.388 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.749 4.188 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.954 4.095 5.550 1.00 0.00 H new ATOM 1751 N ILE A 115 0.029 3.260 5.768 1.00 0.00 N ATOM 1752 CA ILE A 115 1.119 2.322 5.531 1.00 0.00 C ATOM 1753 C ILE A 115 1.126 1.212 6.578 1.00 0.00 C ATOM 1754 O ILE A 115 1.156 0.029 6.241 1.00 0.00 O ATOM 1755 CB ILE A 115 2.485 3.032 5.543 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.539 4.101 4.450 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.609 2.023 5.360 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.647 5.111 4.646 1.00 0.00 C ATOM 0 H ILE A 115 0.304 4.242 5.743 1.00 0.00 H new ATOM 0 HA ILE A 115 0.953 1.888 4.545 1.00 0.00 H new ATOM 0 HB ILE A 115 2.615 3.520 6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.669 3.614 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.583 4.624 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.568 2.541 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.580 1.295 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.485 1.509 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.625 5.838 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.507 5.625 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.609 4.599 4.648 1.00 0.00 H new ATOM 1770 N GLU A 116 1.097 1.604 7.848 1.00 0.00 N ATOM 1771 CA GLU A 116 1.099 0.642 8.943 1.00 0.00 C ATOM 1772 C GLU A 116 0.165 -0.528 8.642 1.00 0.00 C ATOM 1773 O GLU A 116 0.590 -1.682 8.603 1.00 0.00 O ATOM 1774 CB GLU A 116 0.679 1.320 10.249 1.00 0.00 C ATOM 1775 CG GLU A 116 1.554 2.503 10.628 1.00 0.00 C ATOM 1776 CD GLU A 116 1.542 2.784 12.119 1.00 0.00 C ATOM 1777 OE1 GLU A 116 2.154 2.000 12.874 1.00 0.00 O ATOM 1778 OE2 GLU A 116 0.920 3.786 12.529 1.00 0.00 O ATOM 0 H GLU A 116 1.072 2.580 8.143 1.00 0.00 H new ATOM 0 HA GLU A 116 2.113 0.257 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.354 1.657 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.705 0.586 11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.578 2.311 10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.213 3.389 10.092 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.110 -0.220 8.431 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.105 -1.242 8.133 1.00 0.00 C ATOM 1787 C LYS A 117 -1.645 -2.130 6.981 1.00 0.00 C ATOM 1788 O LYS A 117 -1.726 -3.355 7.058 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.446 -0.592 7.786 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.345 -0.371 8.990 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.968 -1.672 9.468 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.643 -1.502 10.821 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.394 -2.724 11.222 1.00 0.00 N ATOM 0 H LYS A 117 -1.479 0.731 8.461 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.228 -1.863 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.261 0.366 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.968 -1.219 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.767 0.076 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.132 0.337 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.699 -2.017 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.199 -2.441 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.891 -1.273 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.325 -0.652 10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.840 -2.569 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.128 -2.928 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.739 -3.530 11.283 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.161 -1.502 5.913 1.00 0.00 N ATOM 1808 CA GLY A 118 -0.694 -2.251 4.761 1.00 0.00 C ATOM 1809 C GLY A 118 0.008 -3.537 5.151 1.00 0.00 C ATOM 1810 O GLY A 118 -0.048 -4.529 4.425 1.00 0.00 O ATOM 0 H GLY A 118 -1.084 -0.489 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.541 -2.484 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.012 -1.630 4.180 1.00 0.00 H new ATOM 1814 N LYS A 119 0.674 -3.520 6.301 1.00 0.00 N ATOM 1815 CA LYS A 119 1.391 -4.693 6.787 1.00 0.00 C ATOM 1816 C LYS A 119 0.467 -5.602 7.590 1.00 0.00 C ATOM 1817 O LYS A 119 0.220 -6.745 7.207 1.00 0.00 O ATOM 1818 CB LYS A 119 2.581 -4.267 7.651 1.00 0.00 C ATOM 1819 CG LYS A 119 3.668 -3.544 6.874 1.00 0.00 C ATOM 1820 CD LYS A 119 3.441 -2.042 6.863 1.00 0.00 C ATOM 1821 CE LYS A 119 4.123 -1.366 8.042 1.00 0.00 C ATOM 1822 NZ LYS A 119 3.417 -1.641 9.324 1.00 0.00 N ATOM 0 H LYS A 119 0.732 -2.707 6.914 1.00 0.00 H new ATOM 0 HA LYS A 119 1.756 -5.248 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.225 -3.618 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.010 -5.150 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.640 -3.763 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.693 -3.916 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.822 -1.622 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.371 -1.835 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.154 -1.714 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.160 -0.290 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.602 -0.868 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.394 -1.710 9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 3.761 -2.537 9.724 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.043 -5.085 8.704 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.941 -5.852 9.560 1.00 0.00 C ATOM 1838 C GLU A 120 -1.878 -6.720 8.725 1.00 0.00 C ATOM 1839 O GLU A 120 -1.902 -7.943 8.870 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.756 -4.913 10.452 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.056 -4.546 11.750 1.00 0.00 C ATOM 1842 CD GLU A 120 -0.661 -5.763 12.564 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -1.398 -6.771 12.519 1.00 0.00 O ATOM 1844 OE2 GLU A 120 0.383 -5.708 13.246 1.00 0.00 O ATOM 0 H GLU A 120 0.150 -4.140 9.034 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.335 -6.504 10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.978 -4.001 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.711 -5.384 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.165 -3.959 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.713 -3.912 12.346 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.649 -6.079 7.854 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.588 -6.792 6.996 1.00 0.00 C ATOM 1853 C ILE A 121 -2.937 -8.021 6.372 1.00 0.00 C ATOM 1854 O ILE A 121 -3.385 -9.149 6.582 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.126 -5.884 5.874 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.828 -4.662 6.470 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.076 -6.661 4.975 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.973 -3.514 5.496 1.00 0.00 C ATOM 0 H ILE A 121 -2.642 -5.067 7.723 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.419 -7.105 7.628 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.286 -5.539 5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.817 -4.957 6.822 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.269 -4.321 7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.448 -6.006 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.547 -7.503 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.914 -7.031 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.479 -2.682 5.986 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.986 -3.193 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.558 -3.839 4.636 1.00 0.00 H new ATOM 1870 N LEU A 122 -1.877 -7.797 5.604 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.162 -8.887 4.949 1.00 0.00 C ATOM 1872 C LEU A 122 -0.969 -10.062 5.902 1.00 0.00 C ATOM 1873 O LEU A 122 -1.131 -11.220 5.517 1.00 0.00 O ATOM 1874 CB LEU A 122 0.197 -8.400 4.442 1.00 0.00 C ATOM 1875 CG LEU A 122 0.196 -7.715 3.074 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.611 -7.329 2.670 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.432 -8.621 2.025 1.00 0.00 C ATOM 0 H LEU A 122 -1.493 -6.870 5.419 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.760 -9.223 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.608 -7.705 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.873 -9.254 4.398 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.401 -6.806 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.591 -6.843 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.026 -6.643 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.231 -8.224 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.424 -8.118 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.138 -9.548 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.460 -8.847 2.308 1.00 0.00 H new ATOM 1889 N SER A 123 -0.626 -9.756 7.149 1.00 0.00 N ATOM 1890 CA SER A 123 -0.410 -10.787 8.158 1.00 0.00 C ATOM 1891 C SER A 123 -1.735 -11.237 8.766 1.00 0.00 C ATOM 1892 O SER A 123 -2.713 -10.491 8.773 1.00 0.00 O ATOM 1893 CB SER A 123 0.519 -10.268 9.257 1.00 0.00 C ATOM 1894 OG SER A 123 -0.119 -9.268 10.034 1.00 0.00 O ATOM 0 H SER A 123 -0.492 -8.802 7.485 1.00 0.00 H new ATOM 0 HA SER A 123 0.057 -11.644 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.823 -11.094 9.900 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.426 -9.862 8.809 1.00 0.00 H new ATOM 0 HG SER A 123 -0.504 -8.589 9.441 1.00 0.00 H new ATOM 1900 N GLY A 124 -1.758 -12.464 9.277 1.00 0.00 N ATOM 1901 CA GLY A 124 -2.966 -12.994 9.881 1.00 0.00 C ATOM 1902 C GLY A 124 -2.674 -14.001 10.976 1.00 0.00 C ATOM 1903 O GLY A 124 -1.539 -14.143 11.431 1.00 0.00 O ATOM 0 H GLY A 124 -0.961 -13.101 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.552 -12.173 10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.576 -13.466 9.111 1.00 0.00 H new ATOM 1907 N PRO A 125 -3.716 -14.721 11.417 1.00 0.00 N ATOM 1908 CA PRO A 125 -3.591 -15.731 12.472 1.00 0.00 C ATOM 1909 C PRO A 125 -2.814 -16.958 12.009 1.00 0.00 C ATOM 1910 O PRO A 125 -2.382 -17.034 10.859 1.00 0.00 O ATOM 1911 CB PRO A 125 -5.044 -16.103 12.781 1.00 0.00 C ATOM 1912 CG PRO A 125 -5.789 -15.792 11.529 1.00 0.00 C ATOM 1913 CD PRO A 125 -5.097 -14.604 10.919 1.00 0.00 C ATOM 0 HA PRO A 125 -3.041 -15.354 13.334 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.135 -17.157 13.045 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -5.429 -15.529 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.778 -16.642 10.847 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -6.834 -15.568 11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.135 -14.632 9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.558 -13.667 11.230 1.00 0.00 H new ATOM 1921 N SER A 126 -2.639 -17.918 12.913 1.00 0.00 N ATOM 1922 CA SER A 126 -1.911 -19.141 12.598 1.00 0.00 C ATOM 1923 C SER A 126 -2.870 -20.313 12.415 1.00 0.00 C ATOM 1924 O SER A 126 -3.640 -20.646 13.316 1.00 0.00 O ATOM 1925 CB SER A 126 -0.904 -19.459 13.705 1.00 0.00 C ATOM 1926 OG SER A 126 0.280 -18.696 13.552 1.00 0.00 O ATOM 0 H SER A 126 -2.992 -17.872 13.869 1.00 0.00 H new ATOM 0 HA SER A 126 -1.375 -18.984 11.662 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.351 -19.252 14.678 1.00 0.00 H new ATOM 0 HB3 SER A 126 -0.661 -20.521 13.685 1.00 0.00 H new ATOM 0 HG SER A 126 0.907 -18.916 14.273 1.00 0.00 H new ATOM 1932 N SER A 127 -2.818 -20.935 11.242 1.00 0.00 N ATOM 1933 CA SER A 127 -3.684 -22.067 10.937 1.00 0.00 C ATOM 1934 C SER A 127 -2.959 -23.087 10.065 1.00 0.00 C ATOM 1935 O SER A 127 -2.290 -22.729 9.096 1.00 0.00 O ATOM 1936 CB SER A 127 -4.956 -21.590 10.233 1.00 0.00 C ATOM 1937 OG SER A 127 -4.658 -21.042 8.960 1.00 0.00 O ATOM 0 H SER A 127 -2.184 -20.674 10.487 1.00 0.00 H new ATOM 0 HA SER A 127 -3.956 -22.547 11.877 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.648 -22.424 10.120 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.457 -20.841 10.847 1.00 0.00 H new ATOM 0 HG SER A 127 -5.487 -20.746 8.529 1.00 0.00 H new ATOM 1943 N GLY A 128 -3.096 -24.362 10.417 1.00 0.00 N ATOM 1944 CA GLY A 128 -2.449 -25.416 9.657 1.00 0.00 C ATOM 1945 C GLY A 128 -3.240 -26.708 9.667 1.00 0.00 C ATOM 1946 O GLY A 128 -2.665 -27.796 9.643 1.00 0.00 O ATOM 0 H GLY A 128 -3.644 -24.684 11.215 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.312 -25.086 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.456 -25.599 10.068 1.00 0.00 H new TER 1950 GLY A 128