USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 692 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 16 SER OG : rot 110:sc= -0.399 USER MOD Set 1.2: A 55 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.45) USER MOD Single : A 10 SER OG : rot 180:sc= -0.168 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 15:sc= -1.66 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.415 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0909 (180deg=-0.562) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -8.27! C(o=-8.3!,f=-19!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0188 (180deg=-0.124) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= -0.0952 (180deg=-0.716) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0961 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= -0.365 (180deg=-1.09) USER MOD Single : A 63 GLN : amide:sc= -0.0277 K(o=-0.028,f=-0.73) USER MOD Single : A 65 SER OG : rot 45:sc= 1.25 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.3) USER MOD Single : A 69 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.937 15.314 3.931 1.00 0.00 N ATOM 2 CA MET A 1 18.644 13.917 3.516 1.00 0.00 C ATOM 3 C MET A 1 18.832 12.946 4.677 1.00 0.00 C ATOM 4 O MET A 1 19.924 12.833 5.234 1.00 0.00 O ATOM 5 CB MET A 1 19.577 13.546 2.362 1.00 0.00 C ATOM 6 CG MET A 1 18.955 12.587 1.360 1.00 0.00 C ATOM 7 SD MET A 1 19.987 12.338 -0.097 1.00 0.00 S ATOM 8 CE MET A 1 19.074 11.051 -0.943 1.00 0.00 C ATOM 0 H1 MET A 1 18.801 15.952 3.121 1.00 0.00 H new ATOM 0 H2 MET A 1 18.294 15.589 4.701 1.00 0.00 H new ATOM 0 H3 MET A 1 19.921 15.379 4.261 1.00 0.00 H new ATOM 0 HA MET A 1 17.604 13.849 3.196 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.878 14.456 1.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.483 13.096 2.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.779 11.626 1.844 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.983 12.971 1.051 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.588 10.787 -1.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.006 10.172 -0.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.071 11.409 -1.176 1.00 0.00 H new ATOM 20 N ASP A 2 17.761 12.247 5.037 1.00 0.00 N ATOM 21 CA ASP A 2 17.807 11.285 6.132 1.00 0.00 C ATOM 22 C ASP A 2 18.823 10.183 5.847 1.00 0.00 C ATOM 23 O ASP A 2 19.476 10.182 4.803 1.00 0.00 O ATOM 24 CB ASP A 2 16.425 10.679 6.363 1.00 0.00 C ATOM 25 CG ASP A 2 15.880 10.989 7.744 1.00 0.00 C ATOM 26 OD1 ASP A 2 16.344 10.362 8.720 1.00 0.00 O ATOM 27 OD2 ASP A 2 14.989 11.858 7.849 1.00 0.00 O ATOM 0 H ASP A 2 16.850 12.329 4.586 1.00 0.00 H new ATOM 0 HA ASP A 2 18.118 11.812 7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.735 11.058 5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.479 9.598 6.231 1.00 0.00 H new ATOM 32 N ASN A 3 18.951 9.246 6.781 1.00 0.00 N ATOM 33 CA ASN A 3 19.881 8.142 6.634 1.00 0.00 C ATOM 34 C ASN A 3 19.147 6.857 6.261 1.00 0.00 C ATOM 35 O ASN A 3 19.602 5.757 6.575 1.00 0.00 O ATOM 36 CB ASN A 3 20.691 7.929 7.922 1.00 0.00 C ATOM 37 CG ASN A 3 20.048 8.555 9.147 1.00 0.00 C ATOM 38 OD1 ASN A 3 20.145 9.763 9.363 1.00 0.00 O ATOM 39 ND2 ASN A 3 19.389 7.733 9.954 1.00 0.00 N ATOM 0 H ASN A 3 18.418 9.233 7.650 1.00 0.00 H new ATOM 0 HA ASN A 3 20.570 8.397 5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.815 6.860 8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 3 21.688 8.349 7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.937 8.096 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.335 6.738 9.735 1.00 0.00 H new ATOM 46 N ASP A 4 18.010 7.004 5.588 1.00 0.00 N ATOM 47 CA ASP A 4 17.214 5.865 5.171 1.00 0.00 C ATOM 48 C ASP A 4 17.973 4.993 4.174 1.00 0.00 C ATOM 49 O ASP A 4 17.634 3.826 3.973 1.00 0.00 O ATOM 50 CB ASP A 4 15.907 6.354 4.552 1.00 0.00 C ATOM 51 CG ASP A 4 16.120 7.462 3.538 1.00 0.00 C ATOM 52 OD1 ASP A 4 16.953 7.280 2.626 1.00 0.00 O ATOM 53 OD2 ASP A 4 15.453 8.512 3.657 1.00 0.00 O ATOM 0 H ASP A 4 17.621 7.908 5.321 1.00 0.00 H new ATOM 0 HA ASP A 4 16.998 5.257 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 4 15.402 5.517 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.247 6.712 5.342 1.00 0.00 H new ATOM 58 N ALA A 5 18.998 5.564 3.552 1.00 0.00 N ATOM 59 CA ALA A 5 19.803 4.837 2.577 1.00 0.00 C ATOM 60 C ALA A 5 20.440 3.597 3.195 1.00 0.00 C ATOM 61 O ALA A 5 20.828 2.669 2.486 1.00 0.00 O ATOM 62 CB ALA A 5 20.872 5.747 1.993 1.00 0.00 C ATOM 0 H ALA A 5 19.292 6.529 3.705 1.00 0.00 H new ATOM 0 HA ALA A 5 19.142 4.507 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 5 21.466 5.192 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 5 20.398 6.596 1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 5 21.520 6.107 2.792 1.00 0.00 H new ATOM 68 N GLU A 6 20.547 3.588 4.519 1.00 0.00 N ATOM 69 CA GLU A 6 21.138 2.465 5.231 1.00 0.00 C ATOM 70 C GLU A 6 20.075 1.519 5.760 1.00 0.00 C ATOM 71 O GLU A 6 20.320 0.719 6.663 1.00 0.00 O ATOM 72 CB GLU A 6 21.989 2.967 6.382 1.00 0.00 C ATOM 73 CG GLU A 6 23.400 3.363 5.979 1.00 0.00 C ATOM 74 CD GLU A 6 24.164 4.029 7.106 1.00 0.00 C ATOM 75 OE1 GLU A 6 23.970 5.245 7.317 1.00 0.00 O ATOM 76 OE2 GLU A 6 24.956 3.335 7.778 1.00 0.00 O ATOM 0 H GLU A 6 20.231 4.349 5.121 1.00 0.00 H new ATOM 0 HA GLU A 6 21.761 1.917 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 6 21.497 3.827 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 6 22.044 2.191 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.943 2.476 5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 6 23.354 4.041 5.127 1.00 0.00 H new ATOM 83 N GLY A 7 18.903 1.625 5.184 1.00 0.00 N ATOM 84 CA GLY A 7 17.784 0.788 5.580 1.00 0.00 C ATOM 85 C GLY A 7 17.487 0.874 7.065 1.00 0.00 C ATOM 86 O GLY A 7 17.139 -0.125 7.693 1.00 0.00 O ATOM 0 H GLY A 7 18.693 2.285 4.435 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.898 1.083 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.998 -0.247 5.316 1.00 0.00 H new ATOM 90 N VAL A 8 17.625 2.071 7.627 1.00 0.00 N ATOM 91 CA VAL A 8 17.370 2.281 9.046 1.00 0.00 C ATOM 92 C VAL A 8 15.933 1.919 9.408 1.00 0.00 C ATOM 93 O VAL A 8 15.638 1.567 10.550 1.00 0.00 O ATOM 94 CB VAL A 8 17.645 3.741 9.458 1.00 0.00 C ATOM 95 CG1 VAL A 8 16.727 4.694 8.707 1.00 0.00 C ATOM 96 CG2 VAL A 8 17.490 3.914 10.962 1.00 0.00 C ATOM 0 H VAL A 8 17.912 2.909 7.121 1.00 0.00 H new ATOM 0 HA VAL A 8 18.051 1.626 9.589 1.00 0.00 H new ATOM 0 HB VAL A 8 18.674 3.982 9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.938 5.719 9.013 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.896 4.593 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.688 4.454 8.935 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.688 4.951 11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.474 3.651 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 8 18.197 3.264 11.478 1.00 0.00 H new ATOM 106 N TRP A 9 15.046 2.008 8.426 1.00 0.00 N ATOM 107 CA TRP A 9 13.640 1.691 8.633 1.00 0.00 C ATOM 108 C TRP A 9 13.436 0.187 8.785 1.00 0.00 C ATOM 109 O TRP A 9 14.168 -0.611 8.199 1.00 0.00 O ATOM 110 CB TRP A 9 12.801 2.221 7.473 1.00 0.00 C ATOM 111 CG TRP A 9 11.797 3.252 7.887 1.00 0.00 C ATOM 112 CD1 TRP A 9 10.513 3.373 7.439 1.00 0.00 C ATOM 113 CD2 TRP A 9 11.993 4.309 8.833 1.00 0.00 C ATOM 114 NE1 TRP A 9 9.899 4.440 8.048 1.00 0.00 N ATOM 115 CE2 TRP A 9 10.787 5.031 8.909 1.00 0.00 C ATOM 116 CE3 TRP A 9 13.072 4.715 9.625 1.00 0.00 C ATOM 117 CZ2 TRP A 9 10.630 6.135 9.743 1.00 0.00 C ATOM 118 CZ3 TRP A 9 12.915 5.811 10.453 1.00 0.00 C ATOM 119 CH2 TRP A 9 11.702 6.509 10.507 1.00 0.00 C ATOM 0 H TRP A 9 15.277 2.298 7.476 1.00 0.00 H new ATOM 0 HA TRP A 9 13.316 2.175 9.554 1.00 0.00 H new ATOM 0 HB2 TRP A 9 13.464 2.651 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 9 12.281 1.388 7.000 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.048 2.724 6.712 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.939 4.743 7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 9 14.011 4.182 9.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.696 6.676 9.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.742 6.134 11.068 1.00 0.00 H new ATOM 0 HH2 TRP A 9 11.611 7.360 11.165 1.00 0.00 H new ATOM 130 N SER A 10 12.437 -0.194 9.575 1.00 0.00 N ATOM 131 CA SER A 10 12.136 -1.603 9.803 1.00 0.00 C ATOM 132 C SER A 10 11.848 -2.319 8.483 1.00 0.00 C ATOM 133 O SER A 10 10.809 -2.093 7.863 1.00 0.00 O ATOM 134 CB SER A 10 10.936 -1.742 10.742 1.00 0.00 C ATOM 135 OG SER A 10 10.648 -3.105 11.003 1.00 0.00 O ATOM 0 H SER A 10 11.822 0.453 10.068 1.00 0.00 H new ATOM 0 HA SER A 10 13.008 -2.066 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.142 -1.225 11.679 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.065 -1.262 10.297 1.00 0.00 H new ATOM 0 HG SER A 10 9.878 -3.167 11.606 1.00 0.00 H new ATOM 141 N PRO A 11 12.765 -3.195 8.032 1.00 0.00 N ATOM 142 CA PRO A 11 12.595 -3.938 6.779 1.00 0.00 C ATOM 143 C PRO A 11 11.494 -4.989 6.863 1.00 0.00 C ATOM 144 O PRO A 11 11.005 -5.472 5.843 1.00 0.00 O ATOM 145 CB PRO A 11 13.955 -4.603 6.571 1.00 0.00 C ATOM 146 CG PRO A 11 14.516 -4.735 7.940 1.00 0.00 C ATOM 147 CD PRO A 11 14.036 -3.531 8.701 1.00 0.00 C ATOM 0 HA PRO A 11 12.295 -3.284 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.852 -5.575 6.088 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.600 -3.998 5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.177 -5.657 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.605 -4.772 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.888 -3.755 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.750 -2.709 8.646 1.00 0.00 H new ATOM 155 N ASP A 12 11.110 -5.340 8.085 1.00 0.00 N ATOM 156 CA ASP A 12 10.069 -6.334 8.301 1.00 0.00 C ATOM 157 C ASP A 12 8.707 -5.800 7.883 1.00 0.00 C ATOM 158 O ASP A 12 7.832 -6.556 7.462 1.00 0.00 O ATOM 159 CB ASP A 12 10.039 -6.763 9.767 1.00 0.00 C ATOM 160 CG ASP A 12 10.462 -8.206 9.957 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.616 -9.104 9.759 1.00 0.00 O ATOM 162 OD2 ASP A 12 11.638 -8.440 10.306 1.00 0.00 O ATOM 0 H ASP A 12 11.505 -4.950 8.941 1.00 0.00 H new ATOM 0 HA ASP A 12 10.299 -7.202 7.683 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.698 -6.115 10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.032 -6.628 10.162 1.00 0.00 H new ATOM 167 N ILE A 13 8.539 -4.492 7.998 1.00 0.00 N ATOM 168 CA ILE A 13 7.287 -3.853 7.627 1.00 0.00 C ATOM 169 C ILE A 13 7.088 -3.889 6.123 1.00 0.00 C ATOM 170 O ILE A 13 5.961 -3.967 5.635 1.00 0.00 O ATOM 171 CB ILE A 13 7.222 -2.401 8.113 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.646 -2.306 9.580 1.00 0.00 C ATOM 173 CG2 ILE A 13 5.822 -1.838 7.920 1.00 0.00 C ATOM 174 CD1 ILE A 13 6.822 -3.175 10.506 1.00 0.00 C ATOM 0 H ILE A 13 9.254 -3.853 8.345 1.00 0.00 H new ATOM 0 HA ILE A 13 6.489 -4.415 8.113 1.00 0.00 H new ATOM 0 HB ILE A 13 7.916 -1.806 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.695 -2.591 9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.570 -1.268 9.905 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.793 -0.806 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.560 -1.870 6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.108 -2.434 8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.179 -3.057 11.529 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.775 -2.876 10.450 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.918 -4.219 10.207 1.00 0.00 H new ATOM 186 N GLU A 14 8.193 -3.848 5.393 1.00 0.00 N ATOM 187 CA GLU A 14 8.145 -3.894 3.940 1.00 0.00 C ATOM 188 C GLU A 14 7.562 -5.219 3.483 1.00 0.00 C ATOM 189 O GLU A 14 6.865 -5.294 2.471 1.00 0.00 O ATOM 190 CB GLU A 14 9.541 -3.695 3.347 1.00 0.00 C ATOM 191 CG GLU A 14 9.548 -2.873 2.068 1.00 0.00 C ATOM 192 CD GLU A 14 10.833 -2.090 1.886 1.00 0.00 C ATOM 193 OE1 GLU A 14 11.837 -2.690 1.448 1.00 0.00 O ATOM 194 OE2 GLU A 14 10.836 -0.876 2.180 1.00 0.00 O ATOM 0 H GLU A 14 9.133 -3.783 5.783 1.00 0.00 H new ATOM 0 HA GLU A 14 7.506 -3.085 3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.174 -3.206 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.983 -4.671 3.144 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.406 -3.535 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.705 -2.183 2.079 1.00 0.00 H new ATOM 201 N GLN A 15 7.841 -6.261 4.253 1.00 0.00 N ATOM 202 CA GLN A 15 7.340 -7.584 3.960 1.00 0.00 C ATOM 203 C GLN A 15 5.834 -7.616 4.108 1.00 0.00 C ATOM 204 O GLN A 15 5.104 -7.896 3.157 1.00 0.00 O ATOM 205 CB GLN A 15 7.978 -8.593 4.894 1.00 0.00 C ATOM 206 CG GLN A 15 9.466 -8.374 5.114 1.00 0.00 C ATOM 207 CD GLN A 15 10.134 -9.548 5.801 1.00 0.00 C ATOM 208 OE1 GLN A 15 9.466 -10.462 6.284 1.00 0.00 O ATOM 209 NE2 GLN A 15 11.461 -9.529 5.849 1.00 0.00 N ATOM 0 H GLN A 15 8.418 -6.208 5.092 1.00 0.00 H new ATOM 0 HA GLN A 15 7.595 -7.841 2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.469 -8.555 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.824 -9.594 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.949 -8.198 4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.612 -7.476 5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.975 -8.751 5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.966 -10.292 6.299 1.00 0.00 H new ATOM 218 N SER A 16 5.381 -7.305 5.307 1.00 0.00 N ATOM 219 CA SER A 16 3.957 -7.268 5.598 1.00 0.00 C ATOM 220 C SER A 16 3.263 -6.259 4.690 1.00 0.00 C ATOM 221 O SER A 16 2.058 -6.345 4.452 1.00 0.00 O ATOM 222 CB SER A 16 3.719 -6.912 7.068 1.00 0.00 C ATOM 223 OG SER A 16 2.981 -7.928 7.726 1.00 0.00 O ATOM 0 H SER A 16 5.980 -7.073 6.100 1.00 0.00 H new ATOM 0 HA SER A 16 3.537 -8.257 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.676 -6.770 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.181 -5.966 7.134 1.00 0.00 H new ATOM 0 HG SER A 16 3.563 -8.395 8.361 1.00 0.00 H new ATOM 229 N PHE A 17 4.038 -5.306 4.178 1.00 0.00 N ATOM 230 CA PHE A 17 3.507 -4.287 3.291 1.00 0.00 C ATOM 231 C PHE A 17 3.176 -4.878 1.931 1.00 0.00 C ATOM 232 O PHE A 17 2.231 -4.450 1.269 1.00 0.00 O ATOM 233 CB PHE A 17 4.501 -3.138 3.142 1.00 0.00 C ATOM 234 CG PHE A 17 4.085 -1.885 3.859 1.00 0.00 C ATOM 235 CD1 PHE A 17 2.778 -1.431 3.788 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.002 -1.164 4.607 1.00 0.00 C ATOM 237 CE1 PHE A 17 2.393 -0.280 4.448 1.00 0.00 C ATOM 238 CE2 PHE A 17 4.623 -0.012 5.270 1.00 0.00 C ATOM 239 CZ PHE A 17 3.316 0.430 5.191 1.00 0.00 C ATOM 0 H PHE A 17 5.037 -5.222 4.366 1.00 0.00 H new ATOM 0 HA PHE A 17 2.588 -3.898 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.472 -3.458 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.629 -2.915 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.052 -1.983 3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.024 -1.506 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.371 0.064 4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.347 0.542 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.017 1.329 5.709 1.00 0.00 H new ATOM 249 N GLN A 18 3.954 -5.872 1.523 1.00 0.00 N ATOM 250 CA GLN A 18 3.730 -6.526 0.243 1.00 0.00 C ATOM 251 C GLN A 18 2.394 -7.248 0.248 1.00 0.00 C ATOM 252 O GLN A 18 1.695 -7.296 -0.763 1.00 0.00 O ATOM 253 CB GLN A 18 4.855 -7.515 -0.075 1.00 0.00 C ATOM 254 CG GLN A 18 4.540 -8.431 -1.249 1.00 0.00 C ATOM 255 CD GLN A 18 5.777 -9.090 -1.826 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.208 -8.766 -2.933 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.356 -10.020 -1.077 1.00 0.00 N ATOM 0 H GLN A 18 4.741 -6.241 2.057 1.00 0.00 H new ATOM 0 HA GLN A 18 3.720 -5.757 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.767 -6.959 -0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.055 -8.123 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.840 -9.202 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.042 -7.856 -2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.965 -10.257 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.192 -10.498 -1.413 1.00 0.00 H new ATOM 266 N GLU A 19 2.047 -7.804 1.396 1.00 0.00 N ATOM 267 CA GLU A 19 0.791 -8.524 1.543 1.00 0.00 C ATOM 268 C GLU A 19 -0.381 -7.610 1.230 1.00 0.00 C ATOM 269 O GLU A 19 -1.393 -8.042 0.682 1.00 0.00 O ATOM 270 CB GLU A 19 0.660 -9.097 2.952 1.00 0.00 C ATOM 271 CG GLU A 19 0.576 -10.614 2.987 1.00 0.00 C ATOM 272 CD GLU A 19 1.937 -11.271 3.108 1.00 0.00 C ATOM 273 OE1 GLU A 19 2.600 -11.459 2.066 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.340 -11.597 4.244 1.00 0.00 O ATOM 0 H GLU A 19 2.617 -7.771 2.241 1.00 0.00 H new ATOM 0 HA GLU A 19 0.784 -9.353 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.515 -8.775 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.231 -8.681 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.047 -10.920 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.085 -10.968 2.080 1.00 0.00 H new ATOM 281 N ALA A 20 -0.225 -6.341 1.569 1.00 0.00 N ATOM 282 CA ALA A 20 -1.257 -5.355 1.313 1.00 0.00 C ATOM 283 C ALA A 20 -1.213 -4.901 -0.138 1.00 0.00 C ATOM 284 O ALA A 20 -2.228 -4.505 -0.709 1.00 0.00 O ATOM 285 CB ALA A 20 -1.110 -4.169 2.254 1.00 0.00 C ATOM 0 H ALA A 20 0.610 -5.970 2.023 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.227 -5.816 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.893 -3.440 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.196 -4.510 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.135 -3.705 2.106 1.00 0.00 H new ATOM 291 N LEU A 21 -0.029 -4.972 -0.731 1.00 0.00 N ATOM 292 CA LEU A 21 0.152 -4.582 -2.117 1.00 0.00 C ATOM 293 C LEU A 21 -0.264 -5.714 -3.045 1.00 0.00 C ATOM 294 O LEU A 21 -0.772 -5.482 -4.142 1.00 0.00 O ATOM 295 CB LEU A 21 1.602 -4.181 -2.378 1.00 0.00 C ATOM 296 CG LEU A 21 1.804 -2.721 -2.786 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.134 -2.443 -4.123 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.263 -1.790 -1.711 1.00 0.00 C ATOM 0 H LEU A 21 0.821 -5.297 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.483 -3.719 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.185 -4.375 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.005 -4.821 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 21 2.873 -2.537 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.288 -1.399 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.567 -3.087 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.066 -2.643 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.414 -0.755 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.198 -1.975 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.789 -1.972 -0.774 1.00 0.00 H new ATOM 310 N SER A 22 -0.058 -6.940 -2.585 1.00 0.00 N ATOM 311 CA SER A 22 -0.424 -8.115 -3.356 1.00 0.00 C ATOM 312 C SER A 22 -1.925 -8.342 -3.275 1.00 0.00 C ATOM 313 O SER A 22 -2.550 -8.818 -4.222 1.00 0.00 O ATOM 314 CB SER A 22 0.326 -9.347 -2.846 1.00 0.00 C ATOM 315 OG SER A 22 1.522 -9.556 -3.578 1.00 0.00 O ATOM 0 H SER A 22 0.362 -7.145 -1.678 1.00 0.00 H new ATOM 0 HA SER A 22 -0.146 -7.950 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.560 -9.222 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.313 -10.226 -2.929 1.00 0.00 H new ATOM 0 HG SER A 22 1.983 -10.348 -3.231 1.00 0.00 H new ATOM 321 N ILE A 23 -2.492 -7.985 -2.131 1.00 0.00 N ATOM 322 CA ILE A 23 -3.919 -8.131 -1.903 1.00 0.00 C ATOM 323 C ILE A 23 -4.664 -6.875 -2.333 1.00 0.00 C ATOM 324 O ILE A 23 -5.777 -6.938 -2.855 1.00 0.00 O ATOM 325 CB ILE A 23 -4.219 -8.434 -0.416 1.00 0.00 C ATOM 326 CG1 ILE A 23 -5.304 -9.506 -0.301 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.626 -7.174 0.341 1.00 0.00 C ATOM 328 CD1 ILE A 23 -5.656 -9.860 1.128 1.00 0.00 C ATOM 0 H ILE A 23 -1.980 -7.590 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.264 -8.972 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.303 -8.810 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.202 -9.159 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.970 -10.406 -0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.829 -7.425 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.817 -6.444 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.523 -6.751 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.432 -10.626 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.770 -10.238 1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.020 -8.972 1.644 1.00 0.00 H new ATOM 340 N TYR A 24 -4.030 -5.739 -2.095 1.00 0.00 N ATOM 341 CA TYR A 24 -4.598 -4.447 -2.437 1.00 0.00 C ATOM 342 C TYR A 24 -3.751 -3.730 -3.488 1.00 0.00 C ATOM 343 O TYR A 24 -2.905 -2.900 -3.154 1.00 0.00 O ATOM 344 CB TYR A 24 -4.727 -3.580 -1.187 1.00 0.00 C ATOM 345 CG TYR A 24 -6.088 -2.947 -1.018 1.00 0.00 C ATOM 346 CD1 TYR A 24 -7.244 -3.716 -1.057 1.00 0.00 C ATOM 347 CD2 TYR A 24 -6.215 -1.579 -0.817 1.00 0.00 C ATOM 348 CE1 TYR A 24 -8.490 -3.137 -0.900 1.00 0.00 C ATOM 349 CE2 TYR A 24 -7.455 -0.993 -0.659 1.00 0.00 C ATOM 350 CZ TYR A 24 -8.590 -1.776 -0.701 1.00 0.00 C ATOM 351 OH TYR A 24 -9.828 -1.197 -0.545 1.00 0.00 O ATOM 0 H TYR A 24 -3.109 -5.687 -1.660 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.589 -4.617 -2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.509 -4.190 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.973 -2.793 -1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.169 -4.782 -1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.329 -0.963 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.380 -3.748 -0.933 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.536 0.073 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.494 -1.893 -0.363 1.00 0.00 H new ATOM 361 N PRO A 25 -3.970 -4.039 -4.778 1.00 0.00 N ATOM 362 CA PRO A 25 -3.236 -3.428 -5.874 1.00 0.00 C ATOM 363 C PRO A 25 -3.869 -2.115 -6.330 1.00 0.00 C ATOM 364 O PRO A 25 -5.038 -1.850 -6.046 1.00 0.00 O ATOM 365 CB PRO A 25 -3.314 -4.479 -6.990 1.00 0.00 C ATOM 366 CG PRO A 25 -4.334 -5.491 -6.559 1.00 0.00 C ATOM 367 CD PRO A 25 -4.948 -5.005 -5.274 1.00 0.00 C ATOM 0 HA PRO A 25 -2.216 -3.170 -5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.601 -4.019 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.344 -4.950 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.099 -5.613 -7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.868 -6.466 -6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.920 -4.542 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.101 -5.821 -4.568 1.00 0.00 H new ATOM 375 N PRO A 26 -3.105 -1.273 -7.046 1.00 0.00 N ATOM 376 CA PRO A 26 -3.600 0.016 -7.540 1.00 0.00 C ATOM 377 C PRO A 26 -4.697 -0.142 -8.586 1.00 0.00 C ATOM 378 O PRO A 26 -5.482 0.776 -8.823 1.00 0.00 O ATOM 379 CB PRO A 26 -2.361 0.668 -8.156 1.00 0.00 C ATOM 380 CG PRO A 26 -1.464 -0.469 -8.488 1.00 0.00 C ATOM 381 CD PRO A 26 -1.703 -1.508 -7.431 1.00 0.00 C ATOM 0 HA PRO A 26 -4.053 0.606 -6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.617 1.244 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.886 1.356 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.685 -0.864 -9.480 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.421 -0.153 -8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.554 -2.517 -7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.026 -1.386 -6.585 1.00 0.00 H new ATOM 389 N CYS A 27 -4.743 -1.312 -9.209 1.00 0.00 N ATOM 390 CA CYS A 27 -5.737 -1.598 -10.230 1.00 0.00 C ATOM 391 C CYS A 27 -7.007 -2.176 -9.613 1.00 0.00 C ATOM 392 O CYS A 27 -7.064 -2.434 -8.411 1.00 0.00 O ATOM 393 CB CYS A 27 -5.168 -2.565 -11.266 1.00 0.00 C ATOM 394 SG CYS A 27 -5.067 -1.880 -12.937 1.00 0.00 S ATOM 0 H CYS A 27 -4.099 -2.081 -9.022 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.995 -0.661 -10.723 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.171 -2.874 -10.950 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.787 -3.462 -11.289 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.571 -2.772 -13.742 1.00 0.00 H new ATOM 400 N GLY A 28 -8.023 -2.379 -10.446 1.00 0.00 N ATOM 401 CA GLY A 28 -9.278 -2.928 -9.968 1.00 0.00 C ATOM 402 C GLY A 28 -9.978 -2.011 -8.984 1.00 0.00 C ATOM 403 O GLY A 28 -10.579 -2.473 -8.014 1.00 0.00 O ATOM 0 H GLY A 28 -7.999 -2.173 -11.445 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.936 -3.114 -10.817 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.092 -3.891 -9.492 1.00 0.00 H new ATOM 407 N ARG A 29 -9.901 -0.708 -9.234 1.00 0.00 N ATOM 408 CA ARG A 29 -10.533 0.275 -8.362 1.00 0.00 C ATOM 409 C ARG A 29 -12.049 0.100 -8.355 1.00 0.00 C ATOM 410 O ARG A 29 -12.752 0.654 -9.199 1.00 0.00 O ATOM 411 CB ARG A 29 -10.173 1.692 -8.812 1.00 0.00 C ATOM 412 CG ARG A 29 -8.931 2.247 -8.135 1.00 0.00 C ATOM 413 CD ARG A 29 -8.262 3.313 -8.988 1.00 0.00 C ATOM 414 NE ARG A 29 -9.046 4.545 -9.041 1.00 0.00 N ATOM 415 CZ ARG A 29 -8.550 5.725 -9.405 1.00 0.00 C ATOM 416 NH1 ARG A 29 -7.273 5.838 -9.749 1.00 0.00 N ATOM 417 NH2 ARG A 29 -9.332 6.795 -9.425 1.00 0.00 N ATOM 0 H ARG A 29 -9.408 -0.309 -10.033 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.163 0.118 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.020 1.694 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.015 2.354 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.201 2.670 -7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.227 1.437 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.272 3.530 -8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.119 2.931 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.032 4.498 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.667 5.018 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.898 6.745 -10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.314 6.714 -9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.952 7.699 -9.704 1.00 0.00 H new ATOM 431 N ARG A 30 -12.545 -0.675 -7.396 1.00 0.00 N ATOM 432 CA ARG A 30 -13.976 -0.925 -7.278 1.00 0.00 C ATOM 433 C ARG A 30 -14.729 0.361 -6.950 1.00 0.00 C ATOM 434 O ARG A 30 -14.193 1.256 -6.296 1.00 0.00 O ATOM 435 CB ARG A 30 -14.245 -1.976 -6.201 1.00 0.00 C ATOM 436 CG ARG A 30 -15.526 -2.763 -6.425 1.00 0.00 C ATOM 437 CD ARG A 30 -15.306 -3.926 -7.378 1.00 0.00 C ATOM 438 NE ARG A 30 -15.134 -5.191 -6.668 1.00 0.00 N ATOM 439 CZ ARG A 30 -15.006 -6.370 -7.273 1.00 0.00 C ATOM 440 NH1 ARG A 30 -15.031 -6.450 -8.597 1.00 0.00 N ATOM 441 NH2 ARG A 30 -14.854 -7.472 -6.551 1.00 0.00 N ATOM 0 H ARG A 30 -11.976 -1.141 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.333 -1.299 -8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.405 -2.669 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.296 -1.484 -5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.895 -3.138 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.294 -2.103 -6.827 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.155 -4.004 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.425 -3.731 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.111 -5.170 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.149 -5.606 -9.157 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.932 -7.356 -9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.835 -7.416 -5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.756 -8.376 -7.014 1.00 0.00 H new ATOM 455 N LYS A 31 -15.974 0.445 -7.408 1.00 0.00 N ATOM 456 CA LYS A 31 -16.800 1.621 -7.162 1.00 0.00 C ATOM 457 C LYS A 31 -17.033 1.819 -5.667 1.00 0.00 C ATOM 458 O LYS A 31 -17.047 0.858 -4.898 1.00 0.00 O ATOM 459 CB LYS A 31 -18.142 1.487 -7.886 1.00 0.00 C ATOM 460 CG LYS A 31 -18.137 2.073 -9.288 1.00 0.00 C ATOM 461 CD LYS A 31 -19.542 2.432 -9.746 1.00 0.00 C ATOM 462 CE LYS A 31 -19.538 3.659 -10.644 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.596 3.292 -12.086 1.00 0.00 N ATOM 0 H LYS A 31 -16.432 -0.287 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 31 -16.272 2.493 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -18.411 0.432 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.914 1.982 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.508 2.963 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.699 1.356 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.978 1.589 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.173 2.618 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.389 4.293 -10.396 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.639 4.245 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.591 4.156 -12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.770 2.708 -12.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.467 2.755 -12.273 1.00 0.00 H new ATOM 477 N ILE A 32 -17.216 3.071 -5.263 1.00 0.00 N ATOM 478 CA ILE A 32 -17.448 3.396 -3.865 1.00 0.00 C ATOM 479 C ILE A 32 -17.955 4.827 -3.706 1.00 0.00 C ATOM 480 O ILE A 32 -17.328 5.774 -4.180 1.00 0.00 O ATOM 481 CB ILE A 32 -16.165 3.213 -3.031 1.00 0.00 C ATOM 482 CG1 ILE A 32 -16.473 3.356 -1.539 1.00 0.00 C ATOM 483 CG2 ILE A 32 -15.100 4.214 -3.458 1.00 0.00 C ATOM 484 CD1 ILE A 32 -15.646 2.443 -0.661 1.00 0.00 C ATOM 0 H ILE A 32 -17.208 3.878 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.211 2.708 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.779 2.209 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -16.301 4.389 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.530 3.147 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.202 4.068 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.861 4.064 -4.511 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.474 5.227 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.917 2.598 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.836 1.405 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.588 2.667 -0.798 1.00 0.00 H new ATOM 496 N ILE A 33 -19.094 4.976 -3.036 1.00 0.00 N ATOM 497 CA ILE A 33 -19.684 6.286 -2.814 1.00 0.00 C ATOM 498 C ILE A 33 -20.568 6.286 -1.570 1.00 0.00 C ATOM 499 O ILE A 33 -21.550 5.548 -1.495 1.00 0.00 O ATOM 500 CB ILE A 33 -20.518 6.761 -4.023 1.00 0.00 C ATOM 501 CG1 ILE A 33 -20.325 5.833 -5.227 1.00 0.00 C ATOM 502 CG2 ILE A 33 -20.151 8.191 -4.391 1.00 0.00 C ATOM 503 CD1 ILE A 33 -21.262 6.132 -6.376 1.00 0.00 C ATOM 0 H ILE A 33 -19.626 4.202 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 33 -18.853 6.977 -2.673 1.00 0.00 H new ATOM 0 HB ILE A 33 -21.570 6.730 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -19.296 5.915 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -20.472 4.801 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -20.748 8.511 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.349 8.847 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -19.093 8.240 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -21.069 5.437 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -22.294 6.022 -6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -21.099 7.153 -6.722 1.00 0.00 H new ATOM 515 N LEU A 34 -20.212 7.119 -0.598 1.00 0.00 N ATOM 516 CA LEU A 34 -20.971 7.217 0.643 1.00 0.00 C ATOM 517 C LEU A 34 -22.372 7.768 0.392 1.00 0.00 C ATOM 518 O LEU A 34 -23.286 7.551 1.188 1.00 0.00 O ATOM 519 CB LEU A 34 -20.231 8.098 1.647 1.00 0.00 C ATOM 520 CG LEU A 34 -19.833 7.402 2.950 1.00 0.00 C ATOM 521 CD1 LEU A 34 -18.524 7.967 3.478 1.00 0.00 C ATOM 522 CD2 LEU A 34 -20.935 7.548 3.989 1.00 0.00 C ATOM 0 H LEU A 34 -19.402 7.737 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.072 6.213 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.331 8.487 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.860 8.955 1.888 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.691 6.341 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.257 7.460 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.737 7.812 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.639 9.034 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.636 7.047 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.107 8.605 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.853 7.096 3.612 1.00 0.00 H new ATOM 534 N SER A 35 -22.532 8.481 -0.716 1.00 0.00 N ATOM 535 CA SER A 35 -23.822 9.064 -1.070 1.00 0.00 C ATOM 536 C SER A 35 -24.883 7.983 -1.243 1.00 0.00 C ATOM 537 O SER A 35 -26.077 8.241 -1.092 1.00 0.00 O ATOM 538 CB SER A 35 -23.698 9.889 -2.353 1.00 0.00 C ATOM 539 OG SER A 35 -22.491 9.596 -3.036 1.00 0.00 O ATOM 0 H SER A 35 -21.786 8.670 -1.385 1.00 0.00 H new ATOM 0 HA SER A 35 -24.131 9.718 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.547 9.683 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.733 10.951 -2.110 1.00 0.00 H new ATOM 0 HG SER A 35 -22.438 10.135 -3.853 1.00 0.00 H new ATOM 545 N ASP A 36 -24.439 6.772 -1.558 1.00 0.00 N ATOM 546 CA ASP A 36 -25.342 5.652 -1.750 1.00 0.00 C ATOM 547 C ASP A 36 -24.955 4.479 -0.855 1.00 0.00 C ATOM 548 O ASP A 36 -25.697 4.107 0.054 1.00 0.00 O ATOM 549 CB ASP A 36 -25.344 5.214 -3.216 1.00 0.00 C ATOM 550 CG ASP A 36 -26.675 4.625 -3.641 1.00 0.00 C ATOM 551 OD1 ASP A 36 -26.851 3.396 -3.506 1.00 0.00 O ATOM 552 OD2 ASP A 36 -27.541 5.394 -4.110 1.00 0.00 O ATOM 0 H ASP A 36 -23.453 6.544 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.345 5.977 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.110 6.070 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.557 4.477 -3.373 1.00 0.00 H new ATOM 557 N GLU A 37 -23.789 3.900 -1.119 1.00 0.00 N ATOM 558 CA GLU A 37 -23.302 2.768 -0.339 1.00 0.00 C ATOM 559 C GLU A 37 -23.070 3.158 1.119 1.00 0.00 C ATOM 560 O GLU A 37 -23.010 2.298 1.997 1.00 0.00 O ATOM 561 CB GLU A 37 -22.013 2.221 -0.949 1.00 0.00 C ATOM 562 CG GLU A 37 -22.127 0.785 -1.425 1.00 0.00 C ATOM 563 CD GLU A 37 -21.884 0.640 -2.915 1.00 0.00 C ATOM 564 OE1 GLU A 37 -20.708 0.517 -3.315 1.00 0.00 O ATOM 565 OE2 GLU A 37 -22.871 0.650 -3.680 1.00 0.00 O ATOM 0 H GLU A 37 -23.163 4.196 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.066 1.991 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.723 2.851 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -21.215 2.288 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.410 0.169 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.120 0.405 -1.184 1.00 0.00 H new ATOM 572 N GLY A 38 -22.938 4.456 1.370 1.00 0.00 N ATOM 573 CA GLY A 38 -22.713 4.929 2.722 1.00 0.00 C ATOM 574 C GLY A 38 -21.394 4.448 3.294 1.00 0.00 C ATOM 575 O GLY A 38 -21.201 4.445 4.510 1.00 0.00 O ATOM 0 H GLY A 38 -22.983 5.188 0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.733 6.019 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.528 4.591 3.362 1.00 0.00 H new ATOM 579 N LYS A 39 -20.482 4.055 2.414 1.00 0.00 N ATOM 580 CA LYS A 39 -19.175 3.588 2.822 1.00 0.00 C ATOM 581 C LYS A 39 -18.132 3.996 1.793 1.00 0.00 C ATOM 582 O LYS A 39 -17.864 3.269 0.837 1.00 0.00 O ATOM 583 CB LYS A 39 -19.177 2.069 2.999 1.00 0.00 C ATOM 584 CG LYS A 39 -17.850 1.511 3.486 1.00 0.00 C ATOM 585 CD LYS A 39 -17.846 1.318 4.993 1.00 0.00 C ATOM 586 CE LYS A 39 -18.324 -0.073 5.378 1.00 0.00 C ATOM 587 NZ LYS A 39 -19.809 -0.146 5.463 1.00 0.00 N ATOM 0 H LYS A 39 -20.631 4.053 1.405 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.926 4.045 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.959 1.795 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -19.431 1.601 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.653 0.558 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.044 2.188 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.839 1.477 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.488 2.066 5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.966 -0.796 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.891 -0.353 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.085 -0.987 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -20.172 0.707 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.209 -0.209 4.505 1.00 0.00 H new ATOM 601 N MET A 40 -17.547 5.161 2.006 1.00 0.00 N ATOM 602 CA MET A 40 -16.527 5.684 1.118 1.00 0.00 C ATOM 603 C MET A 40 -15.528 6.534 1.891 1.00 0.00 C ATOM 604 O MET A 40 -15.670 7.753 1.984 1.00 0.00 O ATOM 605 CB MET A 40 -17.165 6.509 -0.002 1.00 0.00 C ATOM 606 CG MET A 40 -16.198 6.867 -1.119 1.00 0.00 C ATOM 607 SD MET A 40 -15.580 8.556 -0.989 1.00 0.00 S ATOM 608 CE MET A 40 -15.836 9.140 -2.662 1.00 0.00 C ATOM 0 H MET A 40 -17.765 5.768 2.796 1.00 0.00 H new ATOM 0 HA MET A 40 -15.996 4.842 0.674 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.002 5.951 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.574 7.426 0.421 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.357 6.174 -1.102 1.00 0.00 H new ATOM 0 HG3 MET A 40 -16.696 6.740 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.501 10.174 -2.742 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.267 8.520 -3.355 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.896 9.082 -2.909 1.00 0.00 H new ATOM 618 N TYR A 41 -14.517 5.878 2.441 1.00 0.00 N ATOM 619 CA TYR A 41 -13.486 6.556 3.206 1.00 0.00 C ATOM 620 C TYR A 41 -12.130 5.889 3.000 1.00 0.00 C ATOM 621 O TYR A 41 -12.000 4.958 2.206 1.00 0.00 O ATOM 622 CB TYR A 41 -13.848 6.571 4.689 1.00 0.00 C ATOM 623 CG TYR A 41 -13.970 7.962 5.269 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.130 8.707 5.098 1.00 0.00 C ATOM 625 CD2 TYR A 41 -12.925 8.529 5.988 1.00 0.00 C ATOM 626 CE1 TYR A 41 -15.245 9.979 5.627 1.00 0.00 C ATOM 627 CE2 TYR A 41 -13.033 9.800 6.521 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.194 10.520 6.337 1.00 0.00 C ATOM 629 OH TYR A 41 -14.305 11.786 6.865 1.00 0.00 O ATOM 0 H TYR A 41 -14.390 4.868 2.370 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.419 7.584 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.792 6.044 4.829 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.090 6.020 5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.955 8.286 4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.014 7.968 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.153 10.546 5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.212 10.227 7.079 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.478 12.017 7.337 1.00 0.00 H new ATOM 639 N GLY A 42 -11.121 6.372 3.719 1.00 0.00 N ATOM 640 CA GLY A 42 -9.788 5.808 3.597 1.00 0.00 C ATOM 641 C GLY A 42 -9.770 4.305 3.801 1.00 0.00 C ATOM 642 O GLY A 42 -9.825 3.824 4.933 1.00 0.00 O ATOM 0 H GLY A 42 -11.202 7.142 4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.387 6.042 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.130 6.278 4.328 1.00 0.00 H new ATOM 646 N ARG A 43 -9.695 3.563 2.701 1.00 0.00 N ATOM 647 CA ARG A 43 -9.674 2.109 2.759 1.00 0.00 C ATOM 648 C ARG A 43 -8.319 1.596 3.225 1.00 0.00 C ATOM 649 O ARG A 43 -8.219 0.512 3.794 1.00 0.00 O ATOM 650 CB ARG A 43 -10.023 1.519 1.395 1.00 0.00 C ATOM 651 CG ARG A 43 -11.339 0.756 1.383 1.00 0.00 C ATOM 652 CD ARG A 43 -12.407 1.493 0.589 1.00 0.00 C ATOM 653 NE ARG A 43 -13.248 0.578 -0.178 1.00 0.00 N ATOM 654 CZ ARG A 43 -12.883 0.025 -1.332 1.00 0.00 C ATOM 655 NH1 ARG A 43 -11.692 0.292 -1.856 1.00 0.00 N ATOM 656 NH2 ARG A 43 -13.709 -0.796 -1.965 1.00 0.00 N ATOM 0 H ARG A 43 -9.648 3.947 1.757 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.423 1.790 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.072 2.324 0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.221 0.850 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.183 -0.233 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.683 0.608 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.030 2.073 1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.931 2.202 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.170 0.349 0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.053 0.923 -1.374 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.417 -0.134 -2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.625 -1.004 -1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.429 -1.220 -2.850 1.00 0.00 H new ATOM 670 N ASN A 44 -7.278 2.382 2.985 1.00 0.00 N ATOM 671 CA ASN A 44 -5.926 2.003 3.384 1.00 0.00 C ATOM 672 C ASN A 44 -5.886 1.565 4.843 1.00 0.00 C ATOM 673 O ASN A 44 -5.030 0.776 5.242 1.00 0.00 O ATOM 674 CB ASN A 44 -4.960 3.162 3.151 1.00 0.00 C ATOM 675 CG ASN A 44 -3.951 2.869 2.058 1.00 0.00 C ATOM 676 OD1 ASN A 44 -3.889 1.757 1.535 1.00 0.00 O ATOM 677 ND2 ASN A 44 -3.153 3.871 1.706 1.00 0.00 N ATOM 0 H ASN A 44 -7.342 3.286 2.516 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.617 1.157 2.770 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.527 4.055 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.432 3.382 4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.454 3.734 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.239 4.777 2.166 1.00 0.00 H new ATOM 684 N GLU A 45 -6.821 2.076 5.632 1.00 0.00 N ATOM 685 CA GLU A 45 -6.896 1.728 7.042 1.00 0.00 C ATOM 686 C GLU A 45 -7.261 0.261 7.210 1.00 0.00 C ATOM 687 O GLU A 45 -6.859 -0.387 8.177 1.00 0.00 O ATOM 688 CB GLU A 45 -7.920 2.612 7.758 1.00 0.00 C ATOM 689 CG GLU A 45 -7.523 2.972 9.181 1.00 0.00 C ATOM 690 CD GLU A 45 -8.434 4.018 9.793 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.514 5.134 9.237 1.00 0.00 O ATOM 692 OE2 GLU A 45 -9.068 3.721 10.827 1.00 0.00 O ATOM 0 H GLU A 45 -7.537 2.732 5.319 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.916 1.897 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.060 3.529 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.881 2.098 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.542 2.074 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.497 3.341 9.186 1.00 0.00 H new ATOM 699 N LEU A 46 -8.022 -0.258 6.255 1.00 0.00 N ATOM 700 CA LEU A 46 -8.443 -1.643 6.280 1.00 0.00 C ATOM 701 C LEU A 46 -7.256 -2.565 6.091 1.00 0.00 C ATOM 702 O LEU A 46 -6.999 -3.458 6.898 1.00 0.00 O ATOM 703 CB LEU A 46 -9.499 -1.887 5.197 1.00 0.00 C ATOM 704 CG LEU A 46 -9.001 -2.149 3.770 1.00 0.00 C ATOM 705 CD1 LEU A 46 -8.608 -3.609 3.598 1.00 0.00 C ATOM 706 CD2 LEU A 46 -10.070 -1.765 2.758 1.00 0.00 C ATOM 0 H LEU A 46 -8.360 0.269 5.449 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.884 -1.859 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.105 -2.739 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.159 -1.020 5.169 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.118 -1.534 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.258 -3.774 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.812 -3.857 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.473 -4.244 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.702 -1.956 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.968 -2.357 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.307 -0.706 2.863 1.00 0.00 H new ATOM 718 N ILE A 47 -6.542 -2.327 5.017 1.00 0.00 N ATOM 719 CA ILE A 47 -5.364 -3.114 4.687 1.00 0.00 C ATOM 720 C ILE A 47 -4.282 -2.918 5.737 1.00 0.00 C ATOM 721 O ILE A 47 -3.483 -3.817 6.000 1.00 0.00 O ATOM 722 CB ILE A 47 -4.789 -2.773 3.290 1.00 0.00 C ATOM 723 CG1 ILE A 47 -5.305 -1.422 2.784 1.00 0.00 C ATOM 724 CG2 ILE A 47 -5.126 -3.873 2.295 1.00 0.00 C ATOM 725 CD1 ILE A 47 -4.548 -0.899 1.583 1.00 0.00 C ATOM 0 H ILE A 47 -6.754 -1.588 4.347 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.684 -4.156 4.669 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.706 -2.701 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.359 -1.518 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.240 -0.692 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.715 -3.618 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.696 -4.815 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.209 -3.975 2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.967 0.060 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.497 -0.770 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.634 -1.610 0.761 1.00 0.00 H new ATOM 737 N ALA A 48 -4.270 -1.740 6.343 1.00 0.00 N ATOM 738 CA ALA A 48 -3.297 -1.426 7.374 1.00 0.00 C ATOM 739 C ALA A 48 -3.661 -2.113 8.681 1.00 0.00 C ATOM 740 O ALA A 48 -2.795 -2.402 9.507 1.00 0.00 O ATOM 741 CB ALA A 48 -3.189 0.079 7.567 1.00 0.00 C ATOM 0 H ALA A 48 -4.925 -0.986 6.137 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.324 -1.799 7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.455 0.295 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.876 0.544 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.159 0.478 7.864 1.00 0.00 H new ATOM 747 N ARG A 49 -4.948 -2.389 8.857 1.00 0.00 N ATOM 748 CA ARG A 49 -5.420 -3.062 10.054 1.00 0.00 C ATOM 749 C ARG A 49 -4.987 -4.520 10.034 1.00 0.00 C ATOM 750 O ARG A 49 -4.768 -5.133 11.079 1.00 0.00 O ATOM 751 CB ARG A 49 -6.942 -2.962 10.165 1.00 0.00 C ATOM 752 CG ARG A 49 -7.417 -1.736 10.928 1.00 0.00 C ATOM 753 CD ARG A 49 -8.914 -1.788 11.190 1.00 0.00 C ATOM 754 NE ARG A 49 -9.668 -1.007 10.213 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.775 0.320 10.248 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.179 1.016 11.208 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.480 0.952 9.319 1.00 0.00 N ATOM 0 H ARG A 49 -5.680 -2.156 8.185 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.982 -2.573 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.371 -2.945 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.322 -3.857 10.659 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.883 -1.666 11.876 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.177 -0.837 10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.251 -2.824 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.120 -1.411 12.192 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.140 -1.507 9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.635 0.535 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.265 2.032 11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.940 0.422 8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.563 1.968 9.345 1.00 0.00 H new ATOM 771 N TYR A 50 -4.850 -5.062 8.831 1.00 0.00 N ATOM 772 CA TYR A 50 -4.426 -6.440 8.655 1.00 0.00 C ATOM 773 C TYR A 50 -2.981 -6.606 9.076 1.00 0.00 C ATOM 774 O TYR A 50 -2.652 -7.447 9.913 1.00 0.00 O ATOM 775 CB TYR A 50 -4.587 -6.862 7.204 1.00 0.00 C ATOM 776 CG TYR A 50 -4.664 -8.359 7.010 1.00 0.00 C ATOM 777 CD1 TYR A 50 -5.873 -9.034 7.115 1.00 0.00 C ATOM 778 CD2 TYR A 50 -3.523 -9.096 6.720 1.00 0.00 C ATOM 779 CE1 TYR A 50 -5.943 -10.403 6.937 1.00 0.00 C ATOM 780 CE2 TYR A 50 -3.584 -10.464 6.540 1.00 0.00 C ATOM 781 CZ TYR A 50 -4.796 -11.113 6.650 1.00 0.00 C ATOM 782 OH TYR A 50 -4.861 -12.476 6.471 1.00 0.00 O ATOM 0 H TYR A 50 -5.028 -4.563 7.959 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.054 -7.073 9.282 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.491 -6.406 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.748 -6.473 6.627 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.773 -8.481 7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.572 -8.591 6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.891 -10.914 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.688 -11.022 6.314 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.966 -12.823 6.275 1.00 0.00 H new ATOM 792 N ILE A 51 -2.128 -5.788 8.491 1.00 0.00 N ATOM 793 CA ILE A 51 -0.709 -5.821 8.798 1.00 0.00 C ATOM 794 C ILE A 51 -0.471 -5.447 10.253 1.00 0.00 C ATOM 795 O ILE A 51 0.459 -5.939 10.892 1.00 0.00 O ATOM 796 CB ILE A 51 0.107 -4.880 7.887 1.00 0.00 C ATOM 797 CG1 ILE A 51 -0.753 -3.731 7.351 1.00 0.00 C ATOM 798 CG2 ILE A 51 0.723 -5.662 6.738 1.00 0.00 C ATOM 799 CD1 ILE A 51 0.048 -2.504 6.970 1.00 0.00 C ATOM 0 H ILE A 51 -2.393 -5.089 7.797 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.370 -6.841 8.618 1.00 0.00 H new ATOM 0 HB ILE A 51 0.905 -4.444 8.488 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.307 -4.079 6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.488 -3.455 8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.296 -4.986 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.383 -6.433 7.135 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.068 -6.129 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.625 -1.731 6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.581 -2.132 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.765 -2.765 6.192 1.00 0.00 H new ATOM 811 N LYS A 52 -1.325 -4.577 10.769 1.00 0.00 N ATOM 812 CA LYS A 52 -1.226 -4.134 12.150 1.00 0.00 C ATOM 813 C LYS A 52 -1.677 -5.233 13.105 1.00 0.00 C ATOM 814 O LYS A 52 -1.252 -5.281 14.259 1.00 0.00 O ATOM 815 CB LYS A 52 -2.063 -2.872 12.367 1.00 0.00 C ATOM 816 CG LYS A 52 -2.014 -2.346 13.792 1.00 0.00 C ATOM 817 CD LYS A 52 -0.767 -1.512 14.036 1.00 0.00 C ATOM 818 CE LYS A 52 -1.068 -0.301 14.904 1.00 0.00 C ATOM 819 NZ LYS A 52 0.166 0.458 15.248 1.00 0.00 N ATOM 0 H LYS A 52 -2.098 -4.162 10.249 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.181 -3.904 12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.713 -2.093 11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.099 -3.083 12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.900 -1.743 13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.036 -3.182 14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.006 -2.126 14.517 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.355 -1.184 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.764 0.356 14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.562 -0.625 15.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.094 1.396 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.702 -0.061 15.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.753 0.570 14.397 1.00 0.00 H new ATOM 833 N LEU A 53 -2.545 -6.111 12.618 1.00 0.00 N ATOM 834 CA LEU A 53 -3.059 -7.205 13.425 1.00 0.00 C ATOM 835 C LEU A 53 -2.187 -8.451 13.296 1.00 0.00 C ATOM 836 O LEU A 53 -2.177 -9.306 14.181 1.00 0.00 O ATOM 837 CB LEU A 53 -4.498 -7.532 13.022 1.00 0.00 C ATOM 838 CG LEU A 53 -5.332 -8.223 14.101 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.812 -8.148 13.760 1.00 0.00 C ATOM 840 CD2 LEU A 53 -4.894 -9.671 14.266 1.00 0.00 C ATOM 0 H LEU A 53 -2.907 -6.084 11.665 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.041 -6.885 14.467 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.998 -6.607 12.735 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.476 -8.169 12.138 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.171 -7.705 15.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.390 -8.645 14.539 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.117 -7.104 13.692 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.991 -8.641 12.805 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.498 -10.148 15.038 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.026 -10.201 13.323 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.844 -9.703 14.556 1.00 0.00 H new ATOM 852 N ARG A 54 -1.468 -8.553 12.185 1.00 0.00 N ATOM 853 CA ARG A 54 -0.607 -9.700 11.937 1.00 0.00 C ATOM 854 C ARG A 54 0.783 -9.498 12.522 1.00 0.00 C ATOM 855 O ARG A 54 1.239 -10.276 13.360 1.00 0.00 O ATOM 856 CB ARG A 54 -0.505 -9.969 10.434 1.00 0.00 C ATOM 857 CG ARG A 54 0.068 -11.336 10.099 1.00 0.00 C ATOM 858 CD ARG A 54 1.561 -11.261 9.821 1.00 0.00 C ATOM 859 NE ARG A 54 2.259 -12.471 10.251 1.00 0.00 N ATOM 860 CZ ARG A 54 2.156 -13.645 9.633 1.00 0.00 C ATOM 861 NH1 ARG A 54 1.385 -13.773 8.560 1.00 0.00 N ATOM 862 NH2 ARG A 54 2.825 -14.695 10.090 1.00 0.00 N ATOM 0 H ARG A 54 -1.465 -7.854 11.442 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.056 -10.561 12.431 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.496 -9.881 9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.119 -9.201 9.977 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.115 -12.021 10.927 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.445 -11.744 9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.724 -11.108 8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.983 -10.397 10.335 1.00 0.00 H new ATOM 0 HE ARG A 54 2.860 -12.412 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.868 -12.969 8.205 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.310 -14.675 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.418 -14.602 10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.746 -15.595 9.617 1.00 0.00 H new ATOM 876 N THR A 55 1.452 -8.456 12.063 1.00 0.00 N ATOM 877 CA THR A 55 2.798 -8.143 12.521 1.00 0.00 C ATOM 878 C THR A 55 2.779 -7.390 13.848 1.00 0.00 C ATOM 879 O THR A 55 3.777 -7.362 14.568 1.00 0.00 O ATOM 880 CB THR A 55 3.546 -7.326 11.463 1.00 0.00 C ATOM 881 OG1 THR A 55 2.673 -6.928 10.421 1.00 0.00 O ATOM 882 CG2 THR A 55 4.698 -8.078 10.833 1.00 0.00 C ATOM 0 H THR A 55 1.084 -7.806 11.368 1.00 0.00 H new ATOM 0 HA THR A 55 3.320 -9.087 12.679 1.00 0.00 H new ATOM 0 HB THR A 55 3.942 -6.461 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.067 -6.232 10.750 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.185 -7.443 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.417 -8.354 11.604 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.322 -8.979 10.348 1.00 0.00 H new ATOM 890 N GLY A 56 1.644 -6.779 14.166 1.00 0.00 N ATOM 891 CA GLY A 56 1.528 -6.035 15.406 1.00 0.00 C ATOM 892 C GLY A 56 2.458 -4.836 15.457 1.00 0.00 C ATOM 893 O GLY A 56 2.691 -4.270 16.525 1.00 0.00 O ATOM 0 H GLY A 56 0.803 -6.785 13.589 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.499 -5.697 15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.748 -6.696 16.244 1.00 0.00 H new ATOM 897 N LYS A 57 2.992 -4.449 14.302 1.00 0.00 N ATOM 898 CA LYS A 57 3.898 -3.318 14.218 1.00 0.00 C ATOM 899 C LYS A 57 3.183 -2.084 13.676 1.00 0.00 C ATOM 900 O LYS A 57 1.962 -2.082 13.517 1.00 0.00 O ATOM 901 CB LYS A 57 5.098 -3.662 13.338 1.00 0.00 C ATOM 902 CG LYS A 57 6.424 -3.635 14.082 1.00 0.00 C ATOM 903 CD LYS A 57 6.857 -5.031 14.500 1.00 0.00 C ATOM 904 CE LYS A 57 6.252 -5.424 15.838 1.00 0.00 C ATOM 905 NZ LYS A 57 6.717 -4.537 16.940 1.00 0.00 N ATOM 0 H LYS A 57 2.809 -4.908 13.410 1.00 0.00 H new ATOM 0 HA LYS A 57 4.252 -3.093 15.224 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.951 -4.653 12.909 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.142 -2.958 12.507 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.190 -3.190 13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.334 -3.001 14.964 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.556 -5.750 13.738 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.944 -5.072 14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.165 -5.381 15.771 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.517 -6.456 16.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.636 -5.039 17.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.710 -4.273 16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.130 -3.679 16.966 1.00 0.00 H new ATOM 919 N THR A 58 3.951 -1.035 13.393 1.00 0.00 N ATOM 920 CA THR A 58 3.392 0.208 12.868 1.00 0.00 C ATOM 921 C THR A 58 2.449 -0.064 11.698 1.00 0.00 C ATOM 922 O THR A 58 2.387 -1.181 11.185 1.00 0.00 O ATOM 923 CB THR A 58 4.515 1.149 12.426 1.00 0.00 C ATOM 924 OG1 THR A 58 3.998 2.425 12.095 1.00 0.00 O ATOM 925 CG2 THR A 58 5.288 0.642 11.227 1.00 0.00 C ATOM 0 H THR A 58 4.963 -1.021 13.519 1.00 0.00 H new ATOM 0 HA THR A 58 2.820 0.683 13.665 1.00 0.00 H new ATOM 0 HB THR A 58 5.194 1.205 13.277 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.731 3.013 11.817 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.068 1.358 10.968 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.743 -0.319 11.467 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.611 0.522 10.382 1.00 0.00 H new ATOM 933 N ARG A 59 1.727 0.968 11.274 1.00 0.00 N ATOM 934 CA ARG A 59 0.804 0.849 10.162 1.00 0.00 C ATOM 935 C ARG A 59 0.582 2.208 9.516 1.00 0.00 C ATOM 936 O ARG A 59 -0.512 2.769 9.570 1.00 0.00 O ATOM 937 CB ARG A 59 -0.529 0.262 10.632 1.00 0.00 C ATOM 938 CG ARG A 59 -1.142 1.009 11.805 1.00 0.00 C ATOM 939 CD ARG A 59 -2.599 0.623 12.010 1.00 0.00 C ATOM 940 NE ARG A 59 -3.261 1.486 12.986 1.00 0.00 N ATOM 941 CZ ARG A 59 -4.570 1.465 13.226 1.00 0.00 C ATOM 942 NH1 ARG A 59 -5.360 0.628 12.565 1.00 0.00 N ATOM 943 NH2 ARG A 59 -5.090 2.283 14.131 1.00 0.00 N ATOM 0 H ARG A 59 1.767 1.899 11.689 1.00 0.00 H new ATOM 0 HA ARG A 59 1.237 0.175 9.423 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.233 0.268 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.378 -0.780 10.914 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.576 0.793 12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.070 2.083 11.632 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.127 0.681 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.656 -0.413 12.344 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.686 2.143 13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.965 -0.004 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.362 0.617 12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.487 2.927 14.642 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.093 2.268 14.316 1.00 0.00 H new ATOM 957 N THR A 60 1.634 2.728 8.903 1.00 0.00 N ATOM 958 CA THR A 60 1.572 4.023 8.238 1.00 0.00 C ATOM 959 C THR A 60 0.559 3.997 7.096 1.00 0.00 C ATOM 960 O THR A 60 0.194 2.930 6.604 1.00 0.00 O ATOM 961 CB THR A 60 2.954 4.415 7.706 1.00 0.00 C ATOM 962 OG1 THR A 60 3.811 3.288 7.657 1.00 0.00 O ATOM 963 CG2 THR A 60 3.638 5.475 8.542 1.00 0.00 C ATOM 0 H THR A 60 2.545 2.272 8.851 1.00 0.00 H new ATOM 0 HA THR A 60 1.251 4.766 8.968 1.00 0.00 H new ATOM 0 HB THR A 60 2.776 4.819 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.688 3.559 7.313 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.612 5.706 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.025 6.376 8.559 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.770 5.107 9.559 1.00 0.00 H new ATOM 971 N ARG A 61 0.111 5.177 6.679 1.00 0.00 N ATOM 972 CA ARG A 61 -0.854 5.287 5.598 1.00 0.00 C ATOM 973 C ARG A 61 -0.191 5.814 4.336 1.00 0.00 C ATOM 974 O ARG A 61 -0.492 5.371 3.228 1.00 0.00 O ATOM 975 CB ARG A 61 -2.015 6.197 6.004 1.00 0.00 C ATOM 976 CG ARG A 61 -1.595 7.628 6.295 1.00 0.00 C ATOM 977 CD ARG A 61 -1.722 8.508 5.061 1.00 0.00 C ATOM 978 NE ARG A 61 -2.208 9.845 5.391 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.734 10.683 4.501 1.00 0.00 C ATOM 980 NH1 ARG A 61 -2.843 10.327 3.227 1.00 0.00 N ATOM 981 NH2 ARG A 61 -3.153 11.881 4.885 1.00 0.00 N ATOM 0 H ARG A 61 0.403 6.070 7.076 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.247 4.291 5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.758 6.201 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.498 5.782 6.889 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.212 8.033 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.564 7.641 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.752 8.586 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.403 8.040 4.350 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.140 10.155 6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.523 9.407 2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.247 10.974 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.072 12.160 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.556 12.523 4.203 1.00 0.00 H new ATOM 995 N LYS A 62 0.718 6.755 4.519 1.00 0.00 N ATOM 996 CA LYS A 62 1.441 7.345 3.404 1.00 0.00 C ATOM 997 C LYS A 62 2.388 6.328 2.784 1.00 0.00 C ATOM 998 O LYS A 62 2.681 6.381 1.589 1.00 0.00 O ATOM 999 CB LYS A 62 2.214 8.579 3.865 1.00 0.00 C ATOM 1000 CG LYS A 62 1.851 9.844 3.105 1.00 0.00 C ATOM 1001 CD LYS A 62 2.826 10.110 1.969 1.00 0.00 C ATOM 1002 CE LYS A 62 2.684 11.526 1.435 1.00 0.00 C ATOM 1003 NZ LYS A 62 2.609 12.530 2.532 1.00 0.00 N ATOM 0 H LYS A 62 0.975 7.129 5.433 1.00 0.00 H new ATOM 0 HA LYS A 62 0.718 7.650 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.028 8.738 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.282 8.391 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.841 9.753 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.847 10.693 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.846 9.952 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.652 9.397 1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.531 11.757 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.787 11.593 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.818 13.475 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.653 12.525 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.303 12.292 3.269 1.00 0.00 H new ATOM 1017 N GLN A 63 2.854 5.399 3.605 1.00 0.00 N ATOM 1018 CA GLN A 63 3.759 4.358 3.146 1.00 0.00 C ATOM 1019 C GLN A 63 3.025 3.363 2.257 1.00 0.00 C ATOM 1020 O GLN A 63 3.623 2.731 1.386 1.00 0.00 O ATOM 1021 CB GLN A 63 4.394 3.640 4.334 1.00 0.00 C ATOM 1022 CG GLN A 63 5.906 3.784 4.395 1.00 0.00 C ATOM 1023 CD GLN A 63 6.347 4.930 5.284 1.00 0.00 C ATOM 1024 OE1 GLN A 63 5.593 5.874 5.519 1.00 0.00 O ATOM 1025 NE2 GLN A 63 7.575 4.853 5.783 1.00 0.00 N ATOM 0 H GLN A 63 2.619 5.346 4.596 1.00 0.00 H new ATOM 0 HA GLN A 63 4.550 4.826 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.963 4.030 5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.140 2.581 4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.341 2.855 4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.293 3.940 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.166 4.052 5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.927 5.595 6.388 1.00 0.00 H new ATOM 1034 N VAL A 64 1.722 3.233 2.482 1.00 0.00 N ATOM 1035 CA VAL A 64 0.902 2.320 1.701 1.00 0.00 C ATOM 1036 C VAL A 64 0.720 2.831 0.281 1.00 0.00 C ATOM 1037 O VAL A 64 0.545 2.051 -0.653 1.00 0.00 O ATOM 1038 CB VAL A 64 -0.485 2.106 2.338 1.00 0.00 C ATOM 1039 CG1 VAL A 64 -1.252 1.022 1.596 1.00 0.00 C ATOM 1040 CG2 VAL A 64 -0.353 1.757 3.813 1.00 0.00 C ATOM 0 H VAL A 64 1.213 3.749 3.199 1.00 0.00 H new ATOM 0 HA VAL A 64 1.429 1.366 1.682 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.045 3.038 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.229 0.885 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.383 1.317 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.695 0.086 1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.344 1.610 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.228 0.841 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.152 2.570 4.335 1.00 0.00 H new ATOM 1050 N SER A 65 0.779 4.145 0.123 1.00 0.00 N ATOM 1051 CA SER A 65 0.638 4.758 -1.185 1.00 0.00 C ATOM 1052 C SER A 65 1.982 4.766 -1.889 1.00 0.00 C ATOM 1053 O SER A 65 2.066 4.652 -3.112 1.00 0.00 O ATOM 1054 CB SER A 65 0.091 6.181 -1.063 1.00 0.00 C ATOM 1055 OG SER A 65 0.493 6.779 0.158 1.00 0.00 O ATOM 0 H SER A 65 0.924 4.806 0.886 1.00 0.00 H new ATOM 0 HA SER A 65 -0.072 4.175 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.445 6.783 -1.900 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.997 6.162 -1.121 1.00 0.00 H new ATOM 0 HG SER A 65 1.445 6.604 0.310 1.00 0.00 H new ATOM 1061 N SER A 66 3.030 4.882 -1.091 1.00 0.00 N ATOM 1062 CA SER A 66 4.387 4.885 -1.595 1.00 0.00 C ATOM 1063 C SER A 66 4.791 3.482 -2.019 1.00 0.00 C ATOM 1064 O SER A 66 5.566 3.299 -2.958 1.00 0.00 O ATOM 1065 CB SER A 66 5.332 5.401 -0.521 1.00 0.00 C ATOM 1066 OG SER A 66 6.236 6.358 -1.047 1.00 0.00 O ATOM 0 H SER A 66 2.961 4.976 -0.078 1.00 0.00 H new ATOM 0 HA SER A 66 4.443 5.541 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.756 5.848 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.889 4.568 -0.093 1.00 0.00 H new ATOM 0 HG SER A 66 6.830 6.673 -0.334 1.00 0.00 H new ATOM 1072 N HIS A 67 4.254 2.497 -1.314 1.00 0.00 N ATOM 1073 CA HIS A 67 4.546 1.100 -1.601 1.00 0.00 C ATOM 1074 C HIS A 67 3.937 0.678 -2.930 1.00 0.00 C ATOM 1075 O HIS A 67 4.487 -0.167 -3.637 1.00 0.00 O ATOM 1076 CB HIS A 67 4.028 0.203 -0.476 1.00 0.00 C ATOM 1077 CG HIS A 67 4.813 -1.061 -0.310 1.00 0.00 C ATOM 1078 ND1 HIS A 67 6.087 -1.093 0.217 1.00 0.00 N ATOM 1079 CD2 HIS A 67 4.499 -2.345 -0.605 1.00 0.00 C ATOM 1080 CE1 HIS A 67 6.522 -2.340 0.239 1.00 0.00 C ATOM 1081 NE2 HIS A 67 5.577 -3.119 -0.254 1.00 0.00 N ATOM 0 H HIS A 67 3.611 2.640 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 67 5.628 0.990 -1.669 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.049 0.760 0.461 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.986 -0.049 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.573 -2.695 -1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.486 -2.667 0.599 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.638 -4.132 -0.357 1.00 0.00 H new ATOM 1090 N ILE A 68 2.801 1.272 -3.266 1.00 0.00 N ATOM 1091 CA ILE A 68 2.122 0.958 -4.514 1.00 0.00 C ATOM 1092 C ILE A 68 2.872 1.542 -5.704 1.00 0.00 C ATOM 1093 O ILE A 68 2.800 1.020 -6.816 1.00 0.00 O ATOM 1094 CB ILE A 68 0.670 1.476 -4.522 1.00 0.00 C ATOM 1095 CG1 ILE A 68 -0.083 0.965 -3.293 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.042 1.048 -5.797 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -1.191 1.889 -2.836 1.00 0.00 C ATOM 0 H ILE A 68 2.331 1.973 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 68 2.102 -0.129 -4.597 1.00 0.00 H new ATOM 0 HB ILE A 68 0.691 2.565 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.507 -0.014 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.624 0.826 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.066 1.422 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.483 1.455 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.054 -0.040 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.682 1.464 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.771 2.862 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.919 2.008 -3.638 1.00 0.00 H new ATOM 1109 N GLN A 69 3.598 2.624 -5.458 1.00 0.00 N ATOM 1110 CA GLN A 69 4.369 3.279 -6.503 1.00 0.00 C ATOM 1111 C GLN A 69 5.604 2.460 -6.852 1.00 0.00 C ATOM 1112 O GLN A 69 6.092 2.502 -7.982 1.00 0.00 O ATOM 1113 CB GLN A 69 4.776 4.687 -6.066 1.00 0.00 C ATOM 1114 CG GLN A 69 3.598 5.577 -5.706 1.00 0.00 C ATOM 1115 CD GLN A 69 3.815 7.022 -6.108 1.00 0.00 C ATOM 1116 OE1 GLN A 69 4.737 7.338 -6.860 1.00 0.00 O ATOM 1117 NE2 GLN A 69 2.965 7.910 -5.606 1.00 0.00 N ATOM 0 H GLN A 69 3.668 3.067 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 69 3.742 3.357 -7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.441 4.613 -5.206 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.344 5.157 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.699 5.199 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.423 5.525 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.215 7.604 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.062 8.898 -5.840 1.00 0.00 H new ATOM 1126 N VAL A 70 6.099 1.711 -5.876 1.00 0.00 N ATOM 1127 CA VAL A 70 7.271 0.874 -6.078 1.00 0.00 C ATOM 1128 C VAL A 70 6.940 -0.321 -6.959 1.00 0.00 C ATOM 1129 O VAL A 70 7.800 -0.842 -7.669 1.00 0.00 O ATOM 1130 CB VAL A 70 7.855 0.372 -4.751 1.00 0.00 C ATOM 1131 CG1 VAL A 70 9.306 -0.048 -4.930 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.730 1.429 -3.663 1.00 0.00 C ATOM 0 H VAL A 70 5.706 1.667 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 70 8.017 1.497 -6.571 1.00 0.00 H new ATOM 0 HB VAL A 70 7.281 -0.500 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.703 -0.401 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.365 -0.849 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.892 0.805 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.152 1.046 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.270 2.327 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.678 1.672 -3.511 1.00 0.00 H new ATOM 1142 N LEU A 71 5.685 -0.747 -6.910 1.00 0.00 N ATOM 1143 CA LEU A 71 5.231 -1.877 -7.707 1.00 0.00 C ATOM 1144 C LEU A 71 5.180 -1.510 -9.184 1.00 0.00 C ATOM 1145 O LEU A 71 5.357 -2.362 -10.054 1.00 0.00 O ATOM 1146 CB LEU A 71 3.859 -2.349 -7.229 1.00 0.00 C ATOM 1147 CG LEU A 71 3.818 -3.782 -6.696 1.00 0.00 C ATOM 1148 CD1 LEU A 71 4.238 -3.821 -5.235 1.00 0.00 C ATOM 1149 CD2 LEU A 71 2.426 -4.374 -6.868 1.00 0.00 C ATOM 0 H LEU A 71 4.963 -0.326 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 71 5.944 -2.692 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.513 -1.676 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.154 -2.265 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 71 4.522 -4.384 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.203 -4.849 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.254 -3.437 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.559 -3.205 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.414 -5.394 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.704 -3.771 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.162 -4.382 -7.926 1.00 0.00 H new ATOM 1161 N ALA A 72 4.941 -0.234 -9.456 1.00 0.00 N ATOM 1162 CA ALA A 72 4.871 0.253 -10.825 1.00 0.00 C ATOM 1163 C ALA A 72 6.246 0.241 -11.478 1.00 0.00 C ATOM 1164 O ALA A 72 6.368 0.102 -12.695 1.00 0.00 O ATOM 1165 CB ALA A 72 4.275 1.652 -10.861 1.00 0.00 C ATOM 0 H ALA A 72 4.792 0.482 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 72 4.223 -0.416 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.230 2.002 -11.892 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.270 1.630 -10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.898 2.328 -10.276 1.00 0.00 H new ATOM 1171 N ARG A 73 7.278 0.383 -10.657 1.00 0.00 N ATOM 1172 CA ARG A 73 8.648 0.385 -11.146 1.00 0.00 C ATOM 1173 C ARG A 73 9.061 -1.008 -11.604 1.00 0.00 C ATOM 1174 O ARG A 73 9.908 -1.160 -12.484 1.00 0.00 O ATOM 1175 CB ARG A 73 9.602 0.885 -10.059 1.00 0.00 C ATOM 1176 CG ARG A 73 9.856 2.382 -10.115 1.00 0.00 C ATOM 1177 CD ARG A 73 10.707 2.758 -11.317 1.00 0.00 C ATOM 1178 NE ARG A 73 10.286 4.026 -11.910 1.00 0.00 N ATOM 1179 CZ ARG A 73 10.609 5.219 -11.416 1.00 0.00 C ATOM 1180 NH1 ARG A 73 11.354 5.312 -10.322 1.00 0.00 N ATOM 1181 NH2 ARG A 73 10.185 6.322 -12.018 1.00 0.00 N ATOM 0 H ARG A 73 7.191 0.498 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 73 8.702 1.060 -12.000 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.191 0.631 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.553 0.360 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.905 2.912 -10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.355 2.702 -9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.752 2.828 -11.014 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.645 1.969 -12.066 1.00 0.00 H new ATOM 0 HE ARG A 73 9.711 3.995 -12.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.682 4.467 -9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.598 6.229 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.612 6.256 -12.859 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.432 7.237 -11.640 1.00 0.00 H new ATOM 1195 N ARG A 74 8.452 -2.020 -11.002 1.00 0.00 N ATOM 1196 CA ARG A 74 8.748 -3.404 -11.343 1.00 0.00 C ATOM 1197 C ARG A 74 8.196 -3.753 -12.719 1.00 0.00 C ATOM 1198 O ARG A 74 8.735 -4.610 -13.419 1.00 0.00 O ATOM 1199 CB ARG A 74 8.168 -4.349 -10.290 1.00 0.00 C ATOM 1200 CG ARG A 74 9.092 -4.582 -9.106 1.00 0.00 C ATOM 1201 CD ARG A 74 9.123 -3.378 -8.179 1.00 0.00 C ATOM 1202 NE ARG A 74 9.999 -3.594 -7.030 1.00 0.00 N ATOM 1203 CZ ARG A 74 9.709 -4.412 -6.020 1.00 0.00 C ATOM 1204 NH1 ARG A 74 8.570 -5.093 -6.015 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.561 -4.551 -5.014 1.00 0.00 N ATOM 0 H ARG A 74 7.748 -1.908 -10.273 1.00 0.00 H new ATOM 0 HA ARG A 74 9.831 -3.523 -11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.224 -3.941 -9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.943 -5.307 -10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.761 -5.461 -8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.099 -4.792 -9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.461 -2.502 -8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.113 -3.163 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 74 10.885 -3.089 -7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.912 -4.991 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.353 -5.718 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.439 -4.031 -5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.339 -5.178 -4.240 1.00 0.00 H new ATOM 1219 N LYS A 75 7.118 -3.081 -13.099 1.00 0.00 N ATOM 1220 CA LYS A 75 6.485 -3.312 -14.389 1.00 0.00 C ATOM 1221 C LYS A 75 7.319 -2.724 -15.522 1.00 0.00 C ATOM 1222 O LYS A 75 7.230 -3.166 -16.667 1.00 0.00 O ATOM 1223 CB LYS A 75 5.079 -2.711 -14.408 1.00 0.00 C ATOM 1224 CG LYS A 75 4.065 -3.559 -15.159 1.00 0.00 C ATOM 1225 CD LYS A 75 3.981 -4.964 -14.586 1.00 0.00 C ATOM 1226 CE LYS A 75 2.550 -5.478 -14.579 1.00 0.00 C ATOM 1227 NZ LYS A 75 2.312 -6.443 -13.470 1.00 0.00 N ATOM 0 H LYS A 75 6.662 -2.368 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 75 6.413 -4.389 -14.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.737 -2.575 -13.382 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.122 -1.722 -14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.085 -3.085 -15.109 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.341 -3.610 -16.212 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.607 -5.636 -15.173 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.375 -4.968 -13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.863 -4.637 -14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.333 -5.960 -15.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.325 -6.770 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.950 -7.258 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.495 -5.976 -12.559 1.00 0.00 H new ATOM 1241 N SER A 76 8.128 -1.724 -15.194 1.00 0.00 N ATOM 1242 CA SER A 76 8.979 -1.071 -16.181 1.00 0.00 C ATOM 1243 C SER A 76 10.052 -2.022 -16.706 1.00 0.00 C ATOM 1244 O SER A 76 10.681 -1.754 -17.729 1.00 0.00 O ATOM 1245 CB SER A 76 9.635 0.172 -15.576 1.00 0.00 C ATOM 1246 OG SER A 76 8.672 1.172 -15.294 1.00 0.00 O ATOM 0 H SER A 76 8.213 -1.347 -14.250 1.00 0.00 H new ATOM 0 HA SER A 76 8.349 -0.774 -17.019 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.160 -0.100 -14.660 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.381 0.566 -16.267 1.00 0.00 H new ATOM 0 HG SER A 76 9.117 1.955 -14.907 1.00 0.00 H new ATOM 1252 N ARG A 77 10.256 -3.135 -16.005 1.00 0.00 N ATOM 1253 CA ARG A 77 11.252 -4.120 -16.412 1.00 0.00 C ATOM 1254 C ARG A 77 10.990 -4.614 -17.832 1.00 0.00 C ATOM 1255 O ARG A 77 11.889 -5.132 -18.494 1.00 0.00 O ATOM 1256 CB ARG A 77 11.257 -5.302 -15.441 1.00 0.00 C ATOM 1257 CG ARG A 77 9.945 -6.068 -15.409 1.00 0.00 C ATOM 1258 CD ARG A 77 10.003 -7.308 -16.286 1.00 0.00 C ATOM 1259 NE ARG A 77 8.915 -8.238 -15.992 1.00 0.00 N ATOM 1260 CZ ARG A 77 8.819 -8.932 -14.860 1.00 0.00 C ATOM 1261 NH1 ARG A 77 9.741 -8.804 -13.914 1.00 0.00 N ATOM 1262 NH2 ARG A 77 7.797 -9.756 -14.672 1.00 0.00 N ATOM 0 H ARG A 77 9.746 -3.376 -15.155 1.00 0.00 H new ATOM 0 HA ARG A 77 12.229 -3.637 -16.393 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.060 -5.985 -15.717 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.480 -4.937 -14.438 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.716 -6.357 -14.383 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.136 -5.420 -15.746 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.955 -7.013 -17.334 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.959 -7.811 -16.140 1.00 0.00 H new ATOM 0 HE ARG A 77 8.187 -8.363 -16.695 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.529 -8.171 -14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.662 -9.339 -13.049 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.085 -9.858 -15.395 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.723 -10.288 -13.805 1.00 0.00 H new ATOM 1276 N ASP A 78 9.755 -4.448 -18.295 1.00 0.00 N ATOM 1277 CA ASP A 78 9.377 -4.873 -19.632 1.00 0.00 C ATOM 1278 C ASP A 78 8.634 -3.768 -20.368 1.00 0.00 C ATOM 1279 O ASP A 78 8.908 -3.485 -21.535 1.00 0.00 O ATOM 1280 CB ASP A 78 8.521 -6.137 -19.569 1.00 0.00 C ATOM 1281 CG ASP A 78 9.178 -7.317 -20.259 1.00 0.00 C ATOM 1282 OD1 ASP A 78 8.977 -7.477 -21.481 1.00 0.00 O ATOM 1283 OD2 ASP A 78 9.894 -8.080 -19.577 1.00 0.00 O ATOM 0 H ASP A 78 8.999 -4.021 -17.760 1.00 0.00 H new ATOM 0 HA ASP A 78 10.290 -5.095 -20.185 1.00 0.00 H new ATOM 0 HB2 ASP A 78 8.329 -6.390 -18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.554 -5.941 -20.033 1.00 0.00 H new ATOM 1288 N LEU A 79 7.693 -3.151 -19.675 1.00 0.00 N ATOM 1289 CA LEU A 79 6.897 -2.073 -20.246 1.00 0.00 C ATOM 1290 C LEU A 79 7.740 -0.817 -20.441 1.00 0.00 C ATOM 1291 O LEU A 79 7.559 0.180 -19.742 1.00 0.00 O ATOM 1292 CB LEU A 79 5.698 -1.766 -19.347 1.00 0.00 C ATOM 1293 CG LEU A 79 4.437 -1.309 -20.082 1.00 0.00 C ATOM 1294 CD1 LEU A 79 3.688 -2.505 -20.650 1.00 0.00 C ATOM 1295 CD2 LEU A 79 3.539 -0.508 -19.152 1.00 0.00 C ATOM 0 H LEU A 79 7.459 -3.379 -18.709 1.00 0.00 H new ATOM 0 HA LEU A 79 6.536 -2.398 -21.222 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.459 -2.658 -18.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.986 -0.992 -18.635 1.00 0.00 H new ATOM 0 HG LEU A 79 4.735 -0.666 -20.910 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.794 -2.161 -21.169 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.331 -3.038 -21.350 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.401 -3.174 -19.838 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.647 -0.191 -19.692 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.249 -1.128 -18.303 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.077 0.370 -18.793 1.00 0.00 H new ATOM 1307 N VAL A 80 8.663 -0.872 -21.396 1.00 0.00 N ATOM 1308 CA VAL A 80 9.535 0.261 -21.683 1.00 0.00 C ATOM 1309 C VAL A 80 8.734 1.460 -22.188 1.00 0.00 C ATOM 1310 O VAL A 80 8.204 1.436 -23.298 1.00 0.00 O ATOM 1311 CB VAL A 80 10.602 -0.096 -22.724 1.00 0.00 C ATOM 1312 CG1 VAL A 80 11.709 0.947 -22.735 1.00 0.00 C ATOM 1313 CG2 VAL A 80 11.169 -1.485 -22.469 1.00 0.00 C ATOM 0 H VAL A 80 8.826 -1.689 -21.984 1.00 0.00 H new ATOM 0 HA VAL A 80 10.027 0.521 -20.745 1.00 0.00 H new ATOM 0 HB VAL A 80 10.129 -0.103 -23.706 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.457 0.676 -23.480 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.288 1.922 -22.981 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.177 0.992 -21.751 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.924 -1.714 -23.221 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.623 -1.517 -21.478 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.367 -2.221 -22.524 1.00 0.00 H new ATOM 1323 N PRO A 81 8.634 2.532 -21.378 1.00 0.00 N ATOM 1324 CA PRO A 81 7.891 3.738 -21.758 1.00 0.00 C ATOM 1325 C PRO A 81 8.568 4.515 -22.883 1.00 0.00 C ATOM 1326 O PRO A 81 7.961 5.393 -23.496 1.00 0.00 O ATOM 1327 CB PRO A 81 7.873 4.566 -20.474 1.00 0.00 C ATOM 1328 CG PRO A 81 9.074 4.116 -19.725 1.00 0.00 C ATOM 1329 CD PRO A 81 9.231 2.655 -20.036 1.00 0.00 C ATOM 0 HA PRO A 81 6.899 3.496 -22.141 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.916 5.634 -20.689 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.961 4.393 -19.903 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.957 4.677 -20.030 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.949 4.276 -18.654 1.00 0.00 H new ATOM 0 HD2 PRO A 81 10.278 2.352 -20.032 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.715 2.030 -19.307 1.00 0.00 H new ATOM 1337 N ARG A 82 9.827 4.186 -23.150 1.00 0.00 N ATOM 1338 CA ARG A 82 10.585 4.845 -24.193 1.00 0.00 C ATOM 1339 C ARG A 82 10.391 4.133 -25.532 1.00 0.00 C ATOM 1340 O ARG A 82 10.389 2.884 -25.542 1.00 0.00 O ATOM 1341 CB ARG A 82 12.066 4.891 -23.801 1.00 0.00 C ATOM 1342 CG ARG A 82 13.010 4.555 -24.935 1.00 0.00 C ATOM 1343 CD ARG A 82 14.437 4.973 -24.622 1.00 0.00 C ATOM 1344 NE ARG A 82 15.281 4.976 -25.815 1.00 0.00 N ATOM 1345 CZ ARG A 82 15.812 3.879 -26.350 1.00 0.00 C ATOM 1346 NH1 ARG A 82 15.590 2.690 -25.802 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.568 3.970 -27.435 1.00 0.00 N ATOM 1348 OXT ARG A 82 10.242 4.831 -26.556 1.00 0.00 O ATOM 0 H ARG A 82 10.342 3.461 -22.651 1.00 0.00 H new ATOM 0 HA ARG A 82 10.223 5.867 -24.308 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.302 5.887 -23.427 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.237 4.194 -22.980 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.979 3.483 -25.128 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.677 5.053 -25.846 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.434 5.968 -24.178 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.859 4.294 -23.881 1.00 0.00 H new ATOM 0 HE ARG A 82 15.475 5.871 -26.264 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.010 2.614 -24.967 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.000 1.853 -26.217 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.743 4.881 -27.860 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.975 3.129 -27.845 1.00 0.00 H new TER 1362 ARG A 82