USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=16 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 44 ASN : amide:sc= -4.02! C(o=-4!,f=-11!) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 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= 0.0375 K(o=0.037,f=-1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 16 SER OG : rot -60:sc= -1.46 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 180:sc= -1.7! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.322) USER MOD Single : A 35 SER OG : rot 180:sc= -0.849 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= -0.646 (180deg=-0.646) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.97 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 6:sc= 0.877 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 174:sc= 1.14 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.441 F(o=-1.9,f=-0.44) USER MOD Single : A 69 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.5!) 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 21.292 10.538 8.850 1.00 0.00 N ATOM 2 CA MET A 1 21.050 9.073 8.928 1.00 0.00 C ATOM 3 C MET A 1 20.104 8.730 10.074 1.00 0.00 C ATOM 4 O MET A 1 20.481 8.793 11.244 1.00 0.00 O ATOM 5 CB MET A 1 22.394 8.368 9.124 1.00 0.00 C ATOM 6 CG MET A 1 22.509 7.056 8.365 1.00 0.00 C ATOM 7 SD MET A 1 24.220 6.542 8.121 1.00 0.00 S ATOM 8 CE MET A 1 24.064 5.538 6.646 1.00 0.00 C ATOM 0 H1 MET A 1 21.939 10.742 8.062 1.00 0.00 H new ATOM 0 H2 MET A 1 20.390 11.031 8.694 1.00 0.00 H new ATOM 0 H3 MET A 1 21.717 10.868 9.740 1.00 0.00 H new ATOM 0 HA MET A 1 20.580 8.738 8.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.195 9.035 8.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.543 8.178 10.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.974 6.278 8.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.023 7.158 7.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.042 5.146 6.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.383 4.709 6.840 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.671 6.147 5.831 1.00 0.00 H new ATOM 20 N ASP A 2 18.872 8.368 9.729 1.00 0.00 N ATOM 21 CA ASP A 2 17.871 8.016 10.718 1.00 0.00 C ATOM 22 C ASP A 2 18.307 6.801 11.531 1.00 0.00 C ATOM 23 O ASP A 2 19.220 6.074 11.139 1.00 0.00 O ATOM 24 CB ASP A 2 16.542 7.734 10.023 1.00 0.00 C ATOM 25 CG ASP A 2 16.695 6.827 8.817 1.00 0.00 C ATOM 26 OD1 ASP A 2 16.946 5.619 9.010 1.00 0.00 O ATOM 27 OD2 ASP A 2 16.562 7.325 7.679 1.00 0.00 O ATOM 0 H ASP A 2 18.546 8.312 8.764 1.00 0.00 H new ATOM 0 HA ASP A 2 17.752 8.855 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.855 7.275 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.093 8.676 9.709 1.00 0.00 H new ATOM 32 N ASN A 3 17.648 6.587 12.665 1.00 0.00 N ATOM 33 CA ASN A 3 17.960 5.467 13.534 1.00 0.00 C ATOM 34 C ASN A 3 17.737 4.135 12.822 1.00 0.00 C ATOM 35 O ASN A 3 18.287 3.108 13.221 1.00 0.00 O ATOM 36 CB ASN A 3 17.099 5.540 14.792 1.00 0.00 C ATOM 37 CG ASN A 3 15.639 5.818 14.488 1.00 0.00 C ATOM 38 OD1 ASN A 3 15.232 6.970 14.341 1.00 0.00 O ATOM 39 ND2 ASN A 3 14.843 4.759 14.391 1.00 0.00 N ATOM 0 H ASN A 3 16.890 7.181 13.002 1.00 0.00 H new ATOM 0 HA ASN A 3 19.013 5.527 13.808 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.179 4.600 15.337 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.485 6.322 15.446 1.00 0.00 H new ATOM 0 HD21 ASN A 3 13.851 4.883 14.187 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.223 3.821 14.520 1.00 0.00 H new ATOM 46 N ASP A 4 16.929 4.160 11.768 1.00 0.00 N ATOM 47 CA ASP A 4 16.634 2.955 11.001 1.00 0.00 C ATOM 48 C ASP A 4 17.891 2.401 10.330 1.00 0.00 C ATOM 49 O ASP A 4 17.916 1.248 9.899 1.00 0.00 O ATOM 50 CB ASP A 4 15.564 3.247 9.952 1.00 0.00 C ATOM 51 CG ASP A 4 14.288 2.462 10.189 1.00 0.00 C ATOM 52 OD1 ASP A 4 14.351 1.417 10.871 1.00 0.00 O ATOM 53 OD2 ASP A 4 13.225 2.892 9.693 1.00 0.00 O ATOM 0 H ASP A 4 16.466 5.002 11.425 1.00 0.00 H new ATOM 0 HA ASP A 4 16.261 2.200 11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 4 15.337 4.313 9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 4 15.955 3.009 8.963 1.00 0.00 H new ATOM 58 N ALA A 5 18.930 3.227 10.243 1.00 0.00 N ATOM 59 CA ALA A 5 20.185 2.816 9.623 1.00 0.00 C ATOM 60 C ALA A 5 20.821 1.642 10.365 1.00 0.00 C ATOM 61 O ALA A 5 21.708 0.972 9.836 1.00 0.00 O ATOM 62 CB ALA A 5 21.151 3.989 9.564 1.00 0.00 C ATOM 0 H ALA A 5 18.927 4.185 10.594 1.00 0.00 H new ATOM 0 HA ALA A 5 19.962 2.485 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.084 3.669 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 5 20.710 4.794 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 5 21.353 4.345 10.574 1.00 0.00 H new ATOM 68 N GLU A 6 20.369 1.398 11.593 1.00 0.00 N ATOM 69 CA GLU A 6 20.900 0.310 12.401 1.00 0.00 C ATOM 70 C GLU A 6 20.086 -0.963 12.238 1.00 0.00 C ATOM 71 O GLU A 6 20.137 -1.867 13.072 1.00 0.00 O ATOM 72 CB GLU A 6 20.922 0.712 13.863 1.00 0.00 C ATOM 73 CG GLU A 6 22.139 1.532 14.259 1.00 0.00 C ATOM 74 CD GLU A 6 21.786 2.709 15.147 1.00 0.00 C ATOM 75 OE1 GLU A 6 21.271 3.717 14.620 1.00 0.00 O ATOM 76 OE2 GLU A 6 22.023 2.622 16.370 1.00 0.00 O ATOM 0 H GLU A 6 19.635 1.941 12.048 1.00 0.00 H new ATOM 0 HA GLU A 6 21.914 0.110 12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 6 20.022 1.285 14.085 1.00 0.00 H new ATOM 0 HB3 GLU A 6 20.887 -0.188 14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 6 22.851 0.891 14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 6 22.635 1.896 13.359 1.00 0.00 H new ATOM 83 N GLY A 7 19.345 -1.014 11.159 1.00 0.00 N ATOM 84 CA GLY A 7 18.515 -2.168 10.866 1.00 0.00 C ATOM 85 C GLY A 7 17.408 -2.362 11.883 1.00 0.00 C ATOM 86 O GLY A 7 16.992 -3.490 12.149 1.00 0.00 O ATOM 0 H GLY A 7 19.296 -0.270 10.463 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.077 -2.054 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.138 -3.062 10.838 1.00 0.00 H new ATOM 90 N VAL A 8 16.930 -1.262 12.454 1.00 0.00 N ATOM 91 CA VAL A 8 15.866 -1.317 13.447 1.00 0.00 C ATOM 92 C VAL A 8 14.520 -1.631 12.804 1.00 0.00 C ATOM 93 O VAL A 8 13.610 -2.136 13.461 1.00 0.00 O ATOM 94 CB VAL A 8 15.748 -0.004 14.233 1.00 0.00 C ATOM 95 CG1 VAL A 8 15.019 -0.232 15.547 1.00 0.00 C ATOM 96 CG2 VAL A 8 17.119 0.613 14.475 1.00 0.00 C ATOM 0 H VAL A 8 17.264 -0.321 12.245 1.00 0.00 H new ATOM 0 HA VAL A 8 16.133 -2.118 14.136 1.00 0.00 H new ATOM 0 HB VAL A 8 15.166 0.698 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.945 0.710 16.090 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.018 -0.615 15.346 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.570 -0.955 16.148 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.006 1.542 15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.735 -0.082 15.046 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.598 0.821 13.518 1.00 0.00 H new ATOM 106 N TRP A 9 14.401 -1.328 11.517 1.00 0.00 N ATOM 107 CA TRP A 9 13.176 -1.571 10.780 1.00 0.00 C ATOM 108 C TRP A 9 12.791 -3.049 10.818 1.00 0.00 C ATOM 109 O TRP A 9 13.503 -3.901 10.287 1.00 0.00 O ATOM 110 CB TRP A 9 13.351 -1.102 9.337 1.00 0.00 C ATOM 111 CG TRP A 9 14.276 -1.962 8.528 1.00 0.00 C ATOM 112 CD1 TRP A 9 15.448 -2.524 8.944 1.00 0.00 C ATOM 113 CD2 TRP A 9 14.104 -2.357 7.162 1.00 0.00 C ATOM 114 NE1 TRP A 9 16.016 -3.244 7.921 1.00 0.00 N ATOM 115 CE2 TRP A 9 15.210 -3.157 6.817 1.00 0.00 C ATOM 116 CE3 TRP A 9 13.122 -2.112 6.197 1.00 0.00 C ATOM 117 CZ2 TRP A 9 15.360 -3.713 5.548 1.00 0.00 C ATOM 118 CZ3 TRP A 9 13.273 -2.664 4.939 1.00 0.00 C ATOM 119 CH2 TRP A 9 14.384 -3.457 4.625 1.00 0.00 C ATOM 0 H TRP A 9 15.148 -0.910 10.962 1.00 0.00 H new ATOM 0 HA TRP A 9 12.369 -1.009 11.250 1.00 0.00 H new ATOM 0 HB2 TRP A 9 12.375 -1.078 8.852 1.00 0.00 H new ATOM 0 HB3 TRP A 9 13.730 -0.080 9.341 1.00 0.00 H new ATOM 0 HD1 TRP A 9 15.868 -2.418 9.933 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.895 -3.759 7.975 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.261 -1.503 6.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.216 -4.324 5.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 12.522 -2.481 4.185 1.00 0.00 H new ATOM 0 HH2 TRP A 9 14.472 -3.875 3.633 1.00 0.00 H new ATOM 130 N SER A 10 11.659 -3.345 11.449 1.00 0.00 N ATOM 131 CA SER A 10 11.180 -4.717 11.555 1.00 0.00 C ATOM 132 C SER A 10 10.806 -5.268 10.180 1.00 0.00 C ATOM 133 O SER A 10 10.269 -4.546 9.340 1.00 0.00 O ATOM 134 CB SER A 10 9.973 -4.787 12.492 1.00 0.00 C ATOM 135 OG SER A 10 10.367 -4.631 13.844 1.00 0.00 O ATOM 0 H SER A 10 11.057 -2.652 11.894 1.00 0.00 H new ATOM 0 HA SER A 10 11.984 -5.327 11.966 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.257 -4.009 12.227 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.466 -5.744 12.366 1.00 0.00 H new ATOM 0 HG SER A 10 9.577 -4.678 14.422 1.00 0.00 H new ATOM 141 N PRO A 11 11.085 -6.560 9.931 1.00 0.00 N ATOM 142 CA PRO A 11 10.773 -7.201 8.650 1.00 0.00 C ATOM 143 C PRO A 11 9.277 -7.408 8.447 1.00 0.00 C ATOM 144 O PRO A 11 8.809 -7.569 7.320 1.00 0.00 O ATOM 145 CB PRO A 11 11.493 -8.544 8.740 1.00 0.00 C ATOM 146 CG PRO A 11 11.563 -8.829 10.196 1.00 0.00 C ATOM 147 CD PRO A 11 11.724 -7.497 10.873 1.00 0.00 C ATOM 0 HA PRO A 11 11.087 -6.589 7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.948 -9.324 8.208 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.488 -8.492 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.660 -9.334 10.538 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.402 -9.487 10.425 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.239 -7.480 11.849 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.774 -7.252 11.035 1.00 0.00 H new ATOM 155 N ASP A 12 8.534 -7.401 9.545 1.00 0.00 N ATOM 156 CA ASP A 12 7.090 -7.588 9.492 1.00 0.00 C ATOM 157 C ASP A 12 6.400 -6.366 8.901 1.00 0.00 C ATOM 158 O ASP A 12 5.293 -6.460 8.370 1.00 0.00 O ATOM 159 CB ASP A 12 6.541 -7.877 10.887 1.00 0.00 C ATOM 160 CG ASP A 12 6.007 -9.290 11.018 1.00 0.00 C ATOM 161 OD1 ASP A 12 6.794 -10.242 10.833 1.00 0.00 O ATOM 162 OD2 ASP A 12 4.801 -9.445 11.306 1.00 0.00 O ATOM 0 H ASP A 12 8.908 -7.268 10.485 1.00 0.00 H new ATOM 0 HA ASP A 12 6.885 -8.441 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.329 -7.720 11.624 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.745 -7.168 11.115 1.00 0.00 H new ATOM 167 N ILE A 13 7.061 -5.220 8.993 1.00 0.00 N ATOM 168 CA ILE A 13 6.515 -3.982 8.465 1.00 0.00 C ATOM 169 C ILE A 13 6.691 -3.918 6.961 1.00 0.00 C ATOM 170 O ILE A 13 5.767 -3.570 6.225 1.00 0.00 O ATOM 171 CB ILE A 13 7.163 -2.753 9.108 1.00 0.00 C ATOM 172 CG1 ILE A 13 7.187 -2.899 10.632 1.00 0.00 C ATOM 173 CG2 ILE A 13 6.426 -1.487 8.696 1.00 0.00 C ATOM 174 CD1 ILE A 13 7.729 -1.683 11.352 1.00 0.00 C ATOM 0 H ILE A 13 7.978 -5.124 9.430 1.00 0.00 H new ATOM 0 HA ILE A 13 5.452 -3.973 8.707 1.00 0.00 H new ATOM 0 HB ILE A 13 8.192 -2.677 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.175 -3.098 10.985 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.793 -3.766 10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.899 -0.623 9.162 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.463 -1.381 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.387 -1.549 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.715 -1.861 12.427 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.753 -1.495 11.028 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.110 -0.816 11.119 1.00 0.00 H new ATOM 186 N GLU A 14 7.880 -4.277 6.512 1.00 0.00 N ATOM 187 CA GLU A 14 8.186 -4.287 5.093 1.00 0.00 C ATOM 188 C GLU A 14 7.432 -5.417 4.406 1.00 0.00 C ATOM 189 O GLU A 14 7.149 -5.355 3.209 1.00 0.00 O ATOM 190 CB GLU A 14 9.692 -4.441 4.867 1.00 0.00 C ATOM 191 CG GLU A 14 10.194 -3.743 3.614 1.00 0.00 C ATOM 192 CD GLU A 14 9.933 -2.250 3.634 1.00 0.00 C ATOM 193 OE1 GLU A 14 10.498 -1.560 4.509 1.00 0.00 O ATOM 194 OE2 GLU A 14 9.164 -1.770 2.775 1.00 0.00 O ATOM 0 H GLU A 14 8.652 -4.567 7.112 1.00 0.00 H new ATOM 0 HA GLU A 14 7.870 -3.337 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.223 -4.043 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.935 -5.502 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.264 -3.920 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.711 -4.181 2.740 1.00 0.00 H new ATOM 201 N GLN A 15 7.099 -6.444 5.180 1.00 0.00 N ATOM 202 CA GLN A 15 6.368 -7.582 4.664 1.00 0.00 C ATOM 203 C GLN A 15 4.907 -7.227 4.473 1.00 0.00 C ATOM 204 O GLN A 15 4.288 -7.586 3.471 1.00 0.00 O ATOM 205 CB GLN A 15 6.511 -8.762 5.600 1.00 0.00 C ATOM 206 CG GLN A 15 7.647 -9.680 5.209 1.00 0.00 C ATOM 207 CD GLN A 15 7.245 -10.696 4.158 1.00 0.00 C ATOM 208 OE1 GLN A 15 6.627 -10.353 3.150 1.00 0.00 O ATOM 209 NE2 GLN A 15 7.595 -11.956 4.388 1.00 0.00 N ATOM 0 H GLN A 15 7.328 -6.506 6.172 1.00 0.00 H new ATOM 0 HA GLN A 15 6.784 -7.856 3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.675 -8.399 6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.579 -9.327 5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.477 -9.083 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.007 -10.203 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.107 -12.196 5.237 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.352 -12.684 3.716 1.00 0.00 H new ATOM 218 N SER A 16 4.372 -6.498 5.437 1.00 0.00 N ATOM 219 CA SER A 16 2.989 -6.060 5.381 1.00 0.00 C ATOM 220 C SER A 16 2.790 -5.124 4.196 1.00 0.00 C ATOM 221 O SER A 16 1.677 -4.963 3.694 1.00 0.00 O ATOM 222 CB SER A 16 2.595 -5.357 6.681 1.00 0.00 C ATOM 223 OG SER A 16 1.191 -5.175 6.757 1.00 0.00 O ATOM 0 H SER A 16 4.877 -6.196 6.270 1.00 0.00 H new ATOM 0 HA SER A 16 2.350 -6.934 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.935 -5.945 7.534 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.094 -4.390 6.741 1.00 0.00 H new ATOM 0 HG SER A 16 0.891 -4.627 6.002 1.00 0.00 H new ATOM 229 N PHE A 17 3.885 -4.514 3.749 1.00 0.00 N ATOM 230 CA PHE A 17 3.845 -3.601 2.619 1.00 0.00 C ATOM 231 C PHE A 17 3.474 -4.344 1.349 1.00 0.00 C ATOM 232 O PHE A 17 2.632 -3.892 0.573 1.00 0.00 O ATOM 233 CB PHE A 17 5.192 -2.903 2.452 1.00 0.00 C ATOM 234 CG PHE A 17 5.169 -1.446 2.811 1.00 0.00 C ATOM 235 CD1 PHE A 17 4.873 -1.042 4.103 1.00 0.00 C ATOM 236 CD2 PHE A 17 5.446 -0.480 1.858 1.00 0.00 C ATOM 237 CE1 PHE A 17 4.855 0.299 4.438 1.00 0.00 C ATOM 238 CE2 PHE A 17 5.430 0.862 2.186 1.00 0.00 C ATOM 239 CZ PHE A 17 5.134 1.252 3.478 1.00 0.00 C ATOM 0 H PHE A 17 4.812 -4.639 4.156 1.00 0.00 H new ATOM 0 HA PHE A 17 3.084 -2.845 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.932 -3.409 3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.519 -3.007 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.654 -1.783 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.677 -0.779 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.623 0.601 5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.649 1.605 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.121 2.300 3.737 1.00 0.00 H new ATOM 249 N GLN A 18 4.099 -5.493 1.151 1.00 0.00 N ATOM 250 CA GLN A 18 3.820 -6.306 -0.021 1.00 0.00 C ATOM 251 C GLN A 18 2.406 -6.859 0.053 1.00 0.00 C ATOM 252 O GLN A 18 1.764 -7.096 -0.969 1.00 0.00 O ATOM 253 CB GLN A 18 4.822 -7.455 -0.148 1.00 0.00 C ATOM 254 CG GLN A 18 4.413 -8.501 -1.175 1.00 0.00 C ATOM 255 CD GLN A 18 5.563 -9.398 -1.588 1.00 0.00 C ATOM 256 OE1 GLN A 18 6.057 -10.199 -0.795 1.00 0.00 O ATOM 257 NE2 GLN A 18 5.998 -9.266 -2.836 1.00 0.00 N ATOM 0 H GLN A 18 4.799 -5.882 1.783 1.00 0.00 H new ATOM 0 HA GLN A 18 3.915 -5.672 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.796 -7.050 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.938 -7.936 0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.610 -9.113 -0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.013 -8.001 -2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.559 -8.589 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.771 -9.842 -3.170 1.00 0.00 H new ATOM 266 N GLU A 19 1.931 -7.063 1.272 1.00 0.00 N ATOM 267 CA GLU A 19 0.595 -7.586 1.486 1.00 0.00 C ATOM 268 C GLU A 19 -0.449 -6.575 1.051 1.00 0.00 C ATOM 269 O GLU A 19 -1.477 -6.933 0.484 1.00 0.00 O ATOM 270 CB GLU A 19 0.394 -7.966 2.951 1.00 0.00 C ATOM 271 CG GLU A 19 0.112 -9.445 3.163 1.00 0.00 C ATOM 272 CD GLU A 19 -1.164 -9.899 2.481 1.00 0.00 C ATOM 273 OE1 GLU A 19 -1.627 -9.196 1.559 1.00 0.00 O ATOM 274 OE2 GLU A 19 -1.701 -10.958 2.870 1.00 0.00 O ATOM 0 H GLU A 19 2.453 -6.873 2.127 1.00 0.00 H new ATOM 0 HA GLU A 19 0.478 -8.484 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.285 -7.690 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.433 -7.385 3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.950 -10.029 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.040 -9.648 4.232 1.00 0.00 H new ATOM 281 N ALA A 20 -0.170 -5.308 1.309 1.00 0.00 N ATOM 282 CA ALA A 20 -1.083 -4.245 0.932 1.00 0.00 C ATOM 283 C ALA A 20 -0.951 -3.929 -0.549 1.00 0.00 C ATOM 284 O ALA A 20 -1.913 -3.522 -1.199 1.00 0.00 O ATOM 285 CB ALA A 20 -0.837 -3.001 1.773 1.00 0.00 C ATOM 0 H ALA A 20 0.680 -4.992 1.777 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.101 -4.585 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.532 -2.216 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.988 -3.238 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.186 -2.656 1.622 1.00 0.00 H new ATOM 291 N LEU A 21 0.247 -4.135 -1.077 1.00 0.00 N ATOM 292 CA LEU A 21 0.511 -3.891 -2.481 1.00 0.00 C ATOM 293 C LEU A 21 0.057 -5.078 -3.319 1.00 0.00 C ATOM 294 O LEU A 21 -0.358 -4.922 -4.467 1.00 0.00 O ATOM 295 CB LEU A 21 1.996 -3.611 -2.707 1.00 0.00 C ATOM 296 CG LEU A 21 2.322 -2.195 -3.183 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.678 -1.925 -4.534 1.00 0.00 C ATOM 298 CD2 LEU A 21 1.863 -1.170 -2.157 1.00 0.00 C ATOM 0 H LEU A 21 1.052 -4.472 -0.549 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.054 -3.012 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.531 -3.797 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.377 -4.321 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 21 3.403 -2.109 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.921 -0.913 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.055 -2.640 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.596 -2.029 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.103 -0.168 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.786 -1.256 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.371 -1.351 -1.210 1.00 0.00 H new ATOM 310 N SER A 22 0.127 -6.262 -2.725 1.00 0.00 N ATOM 311 CA SER A 22 -0.289 -7.478 -3.399 1.00 0.00 C ATOM 312 C SER A 22 -1.805 -7.589 -3.379 1.00 0.00 C ATOM 313 O SER A 22 -2.421 -8.091 -4.319 1.00 0.00 O ATOM 314 CB SER A 22 0.340 -8.704 -2.734 1.00 0.00 C ATOM 315 OG SER A 22 0.090 -9.878 -3.488 1.00 0.00 O ATOM 0 H SER A 22 0.470 -6.403 -1.775 1.00 0.00 H new ATOM 0 HA SER A 22 0.051 -7.437 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.415 -8.555 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.062 -8.822 -1.728 1.00 0.00 H new ATOM 0 HG SER A 22 0.504 -10.647 -3.043 1.00 0.00 H new ATOM 321 N ILE A 23 -2.396 -7.103 -2.296 1.00 0.00 N ATOM 322 CA ILE A 23 -3.841 -7.127 -2.134 1.00 0.00 C ATOM 323 C ILE A 23 -4.483 -5.962 -2.872 1.00 0.00 C ATOM 324 O ILE A 23 -5.566 -6.086 -3.444 1.00 0.00 O ATOM 325 CB ILE A 23 -4.236 -7.087 -0.641 1.00 0.00 C ATOM 326 CG1 ILE A 23 -5.429 -8.009 -0.381 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.541 -5.668 -0.178 1.00 0.00 C ATOM 328 CD1 ILE A 23 -6.715 -7.527 -1.017 1.00 0.00 C ATOM 0 H ILE A 23 -1.893 -6.685 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.206 -8.061 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.384 -7.443 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.197 -9.005 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.578 -8.103 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.815 -5.680 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.659 -5.043 -0.317 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.368 -5.264 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.518 -8.229 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.971 -6.544 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.584 -7.460 -2.097 1.00 0.00 H new ATOM 340 N TYR A 24 -3.794 -4.833 -2.845 1.00 0.00 N ATOM 341 CA TYR A 24 -4.263 -3.623 -3.502 1.00 0.00 C ATOM 342 C TYR A 24 -3.329 -3.215 -4.640 1.00 0.00 C ATOM 343 O TYR A 24 -2.443 -2.381 -4.456 1.00 0.00 O ATOM 344 CB TYR A 24 -4.388 -2.481 -2.505 1.00 0.00 C ATOM 345 CG TYR A 24 -5.198 -2.821 -1.276 1.00 0.00 C ATOM 346 CD1 TYR A 24 -6.513 -3.254 -1.385 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.646 -2.708 -0.007 1.00 0.00 C ATOM 348 CE1 TYR A 24 -7.256 -3.566 -0.261 1.00 0.00 C ATOM 349 CE2 TYR A 24 -5.382 -3.018 1.121 1.00 0.00 C ATOM 350 CZ TYR A 24 -6.686 -3.446 0.989 1.00 0.00 C ATOM 351 OH TYR A 24 -7.423 -3.757 2.109 1.00 0.00 O ATOM 0 H TYR A 24 -2.898 -4.729 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.246 -3.838 -3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.390 -2.173 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.845 -1.626 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.962 -3.349 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.625 -2.372 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.277 -3.902 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.938 -2.925 2.101 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.875 -3.620 2.910 1.00 0.00 H new ATOM 361 N PRO A 25 -3.520 -3.796 -5.837 1.00 0.00 N ATOM 362 CA PRO A 25 -2.704 -3.494 -7.004 1.00 0.00 C ATOM 363 C PRO A 25 -3.214 -2.270 -7.762 1.00 0.00 C ATOM 364 O PRO A 25 -4.253 -1.706 -7.417 1.00 0.00 O ATOM 365 CB PRO A 25 -2.831 -4.755 -7.870 1.00 0.00 C ATOM 366 CG PRO A 25 -3.928 -5.584 -7.271 1.00 0.00 C ATOM 367 CD PRO A 25 -4.544 -4.790 -6.152 1.00 0.00 C ATOM 0 HA PRO A 25 -1.676 -3.255 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.064 -4.493 -8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.892 -5.309 -7.886 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.677 -5.828 -8.024 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.533 -6.528 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.478 -4.320 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.772 -5.419 -5.291 1.00 0.00 H new ATOM 375 N PRO A 26 -2.489 -1.839 -8.810 1.00 0.00 N ATOM 376 CA PRO A 26 -2.877 -0.675 -9.614 1.00 0.00 C ATOM 377 C PRO A 26 -4.182 -0.893 -10.374 1.00 0.00 C ATOM 378 O PRO A 26 -4.767 0.053 -10.903 1.00 0.00 O ATOM 379 CB PRO A 26 -1.712 -0.503 -10.590 1.00 0.00 C ATOM 380 CG PRO A 26 -1.075 -1.844 -10.658 1.00 0.00 C ATOM 381 CD PRO A 26 -1.238 -2.448 -9.293 1.00 0.00 C ATOM 0 HA PRO A 26 -3.058 0.200 -8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.062 -0.181 -11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.009 0.252 -10.238 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.550 -2.464 -11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.022 -1.763 -10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.309 -3.535 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.396 -2.210 -8.643 1.00 0.00 H new ATOM 389 N CYS A 27 -4.635 -2.141 -10.426 1.00 0.00 N ATOM 390 CA CYS A 27 -5.866 -2.478 -11.118 1.00 0.00 C ATOM 391 C CYS A 27 -6.574 -3.646 -10.437 1.00 0.00 C ATOM 392 O CYS A 27 -6.082 -4.774 -10.447 1.00 0.00 O ATOM 393 CB CYS A 27 -5.577 -2.815 -12.578 1.00 0.00 C ATOM 394 SG CYS A 27 -6.452 -1.768 -13.765 1.00 0.00 S ATOM 0 H CYS A 27 -4.164 -2.936 -9.994 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.525 -1.611 -11.079 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.505 -2.728 -12.754 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.847 -3.855 -12.760 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.141 -2.129 -14.974 1.00 0.00 H new ATOM 400 N GLY A 28 -7.731 -3.366 -9.846 1.00 0.00 N ATOM 401 CA GLY A 28 -8.489 -4.402 -9.169 1.00 0.00 C ATOM 402 C GLY A 28 -8.564 -4.181 -7.670 1.00 0.00 C ATOM 403 O GLY A 28 -8.704 -5.134 -6.903 1.00 0.00 O ATOM 0 H GLY A 28 -8.157 -2.440 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.498 -4.436 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.031 -5.371 -9.368 1.00 0.00 H new ATOM 407 N ARG A 29 -8.471 -2.923 -7.253 1.00 0.00 N ATOM 408 CA ARG A 29 -8.530 -2.580 -5.838 1.00 0.00 C ATOM 409 C ARG A 29 -9.886 -2.947 -5.243 1.00 0.00 C ATOM 410 O ARG A 29 -10.889 -2.282 -5.503 1.00 0.00 O ATOM 411 CB ARG A 29 -8.261 -1.087 -5.642 1.00 0.00 C ATOM 412 CG ARG A 29 -9.042 -0.198 -6.595 1.00 0.00 C ATOM 413 CD ARG A 29 -9.367 1.146 -5.964 1.00 0.00 C ATOM 414 NE ARG A 29 -9.942 2.080 -6.930 1.00 0.00 N ATOM 415 CZ ARG A 29 -11.175 1.974 -7.420 1.00 0.00 C ATOM 416 NH1 ARG A 29 -11.965 0.978 -7.038 1.00 0.00 N ATOM 417 NH2 ARG A 29 -11.619 2.866 -8.294 1.00 0.00 N ATOM 0 H ARG A 29 -8.354 -2.124 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.761 -3.152 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.510 -0.813 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.196 -0.898 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.464 -0.043 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.966 -0.698 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.066 1.000 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.460 1.576 -5.540 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.365 2.859 -7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.628 0.289 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.909 0.902 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.016 3.633 -8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.564 2.785 -8.670 1.00 0.00 H new ATOM 431 N ARG A 30 -9.908 -4.008 -4.443 1.00 0.00 N ATOM 432 CA ARG A 30 -11.141 -4.462 -3.810 1.00 0.00 C ATOM 433 C ARG A 30 -11.703 -3.391 -2.880 1.00 0.00 C ATOM 434 O ARG A 30 -10.992 -2.471 -2.477 1.00 0.00 O ATOM 435 CB ARG A 30 -10.892 -5.754 -3.029 1.00 0.00 C ATOM 436 CG ARG A 30 -11.094 -7.013 -3.856 1.00 0.00 C ATOM 437 CD ARG A 30 -12.543 -7.170 -4.286 1.00 0.00 C ATOM 438 NE ARG A 30 -12.792 -8.468 -4.909 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.957 -9.599 -4.226 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.900 -9.596 -2.900 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.179 -10.736 -4.871 1.00 0.00 N ATOM 0 H ARG A 30 -9.087 -4.569 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.873 -4.655 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.873 -5.744 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.561 -5.783 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.454 -6.977 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.789 -7.884 -3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.193 -7.054 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.801 -6.376 -4.987 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.842 -8.510 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.729 -8.724 -2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.027 -10.465 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.223 -10.744 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.305 -11.603 -4.348 1.00 0.00 H new ATOM 455 N LYS A 31 -12.982 -3.520 -2.542 1.00 0.00 N ATOM 456 CA LYS A 31 -13.637 -2.569 -1.660 1.00 0.00 C ATOM 457 C LYS A 31 -14.752 -3.241 -0.864 1.00 0.00 C ATOM 458 O LYS A 31 -15.220 -4.321 -1.223 1.00 0.00 O ATOM 459 CB LYS A 31 -14.201 -1.396 -2.465 1.00 0.00 C ATOM 460 CG LYS A 31 -14.653 -0.228 -1.604 1.00 0.00 C ATOM 461 CD LYS A 31 -13.529 0.276 -0.713 1.00 0.00 C ATOM 462 CE LYS A 31 -13.938 1.528 0.045 1.00 0.00 C ATOM 463 NZ LYS A 31 -12.996 1.837 1.156 1.00 0.00 N ATOM 0 H LYS A 31 -13.584 -4.276 -2.868 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.893 -2.192 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.441 -1.048 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.045 -1.746 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.003 0.582 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.498 -0.535 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.247 -0.503 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.649 0.488 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.977 2.372 -0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.943 1.397 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.457 2.477 1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.728 0.956 1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.144 2.294 0.772 1.00 0.00 H new ATOM 477 N ILE A 32 -15.172 -2.593 0.218 1.00 0.00 N ATOM 478 CA ILE A 32 -16.227 -3.122 1.064 1.00 0.00 C ATOM 479 C ILE A 32 -17.504 -2.299 0.924 1.00 0.00 C ATOM 480 O ILE A 32 -17.462 -1.069 0.901 1.00 0.00 O ATOM 481 CB ILE A 32 -15.814 -3.165 2.556 1.00 0.00 C ATOM 482 CG1 ILE A 32 -14.580 -2.294 2.819 1.00 0.00 C ATOM 483 CG2 ILE A 32 -15.551 -4.599 2.992 1.00 0.00 C ATOM 484 CD1 ILE A 32 -14.862 -0.809 2.748 1.00 0.00 C ATOM 0 H ILE A 32 -14.794 -1.698 0.527 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.409 -4.143 0.727 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.640 -2.763 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.180 -2.533 3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.807 -2.544 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.262 -4.613 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.456 -5.192 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.747 -5.021 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.944 -0.255 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.233 -0.556 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.612 -0.545 3.494 1.00 0.00 H new ATOM 496 N ILE A 33 -18.637 -2.987 0.828 1.00 0.00 N ATOM 497 CA ILE A 33 -19.924 -2.323 0.687 1.00 0.00 C ATOM 498 C ILE A 33 -20.376 -1.708 2.009 1.00 0.00 C ATOM 499 O ILE A 33 -20.702 -2.422 2.958 1.00 0.00 O ATOM 500 CB ILE A 33 -21.008 -3.298 0.183 1.00 0.00 C ATOM 501 CG1 ILE A 33 -22.327 -2.559 -0.050 1.00 0.00 C ATOM 502 CG2 ILE A 33 -21.200 -4.439 1.171 1.00 0.00 C ATOM 503 CD1 ILE A 33 -22.209 -1.400 -1.017 1.00 0.00 C ATOM 0 H ILE A 33 -18.688 -4.006 0.846 1.00 0.00 H new ATOM 0 HA ILE A 33 -19.792 -1.530 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 33 -20.679 -3.719 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -23.067 -3.264 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -22.700 -2.188 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -21.968 -5.117 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -20.262 -4.982 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -21.507 -4.037 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -23.182 -0.923 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -21.494 -0.675 -0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -21.866 -1.767 -1.985 1.00 0.00 H new ATOM 515 N LEU A 34 -20.394 -0.380 2.062 1.00 0.00 N ATOM 516 CA LEU A 34 -20.806 0.333 3.258 1.00 0.00 C ATOM 517 C LEU A 34 -21.931 1.315 2.947 1.00 0.00 C ATOM 518 O LEU A 34 -22.024 2.381 3.554 1.00 0.00 O ATOM 519 CB LEU A 34 -19.617 1.066 3.877 1.00 0.00 C ATOM 520 CG LEU A 34 -19.211 0.580 5.270 1.00 0.00 C ATOM 521 CD1 LEU A 34 -18.245 -0.590 5.165 1.00 0.00 C ATOM 522 CD2 LEU A 34 -18.591 1.716 6.070 1.00 0.00 C ATOM 0 H LEU A 34 -20.126 0.223 1.285 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.180 -0.397 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.761 0.966 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.854 2.128 3.934 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.106 0.241 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.967 -0.923 6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.724 -1.410 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.351 -0.277 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.308 1.353 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.706 2.085 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.314 2.525 6.174 1.00 0.00 H new ATOM 534 N SER A 35 -22.785 0.948 1.994 1.00 0.00 N ATOM 535 CA SER A 35 -23.906 1.796 1.599 1.00 0.00 C ATOM 536 C SER A 35 -24.687 2.280 2.817 1.00 0.00 C ATOM 537 O SER A 35 -25.301 3.347 2.792 1.00 0.00 O ATOM 538 CB SER A 35 -24.835 1.040 0.645 1.00 0.00 C ATOM 539 OG SER A 35 -24.497 -0.335 0.582 1.00 0.00 O ATOM 0 H SER A 35 -22.722 0.069 1.481 1.00 0.00 H new ATOM 0 HA SER A 35 -23.502 2.668 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.868 1.148 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.773 1.478 -0.351 1.00 0.00 H new ATOM 0 HG SER A 35 -25.107 -0.794 -0.033 1.00 0.00 H new ATOM 545 N ASP A 36 -24.654 1.489 3.880 1.00 0.00 N ATOM 546 CA ASP A 36 -25.352 1.831 5.111 1.00 0.00 C ATOM 547 C ASP A 36 -24.707 3.040 5.780 1.00 0.00 C ATOM 548 O ASP A 36 -25.377 4.026 6.084 1.00 0.00 O ATOM 549 CB ASP A 36 -25.352 0.640 6.071 1.00 0.00 C ATOM 550 CG ASP A 36 -26.369 0.795 7.185 1.00 0.00 C ATOM 551 OD1 ASP A 36 -27.546 0.440 6.967 1.00 0.00 O ATOM 552 OD2 ASP A 36 -25.988 1.273 8.274 1.00 0.00 O ATOM 0 H ASP A 36 -24.150 0.603 3.914 1.00 0.00 H new ATOM 0 HA ASP A 36 -26.382 2.083 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -25.564 -0.272 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -24.358 0.526 6.504 1.00 0.00 H new ATOM 557 N GLU A 37 -23.399 2.956 6.006 1.00 0.00 N ATOM 558 CA GLU A 37 -22.661 4.040 6.638 1.00 0.00 C ATOM 559 C GLU A 37 -22.534 5.237 5.703 1.00 0.00 C ATOM 560 O GLU A 37 -22.436 6.380 6.149 1.00 0.00 O ATOM 561 CB GLU A 37 -21.277 3.559 7.070 1.00 0.00 C ATOM 562 CG GLU A 37 -21.051 3.626 8.569 1.00 0.00 C ATOM 563 CD GLU A 37 -20.775 2.266 9.181 1.00 0.00 C ATOM 564 OE1 GLU A 37 -21.748 1.553 9.505 1.00 0.00 O ATOM 565 OE2 GLU A 37 -19.587 1.915 9.337 1.00 0.00 O ATOM 0 H GLU A 37 -22.830 2.146 5.760 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.217 4.356 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -21.138 2.531 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.519 4.162 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.212 4.290 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.929 4.063 9.045 1.00 0.00 H new ATOM 572 N GLY A 38 -22.537 4.964 4.406 1.00 0.00 N ATOM 573 CA GLY A 38 -22.423 6.025 3.423 1.00 0.00 C ATOM 574 C GLY A 38 -21.110 6.773 3.527 1.00 0.00 C ATOM 575 O GLY A 38 -21.017 7.938 3.140 1.00 0.00 O ATOM 0 H GLY A 38 -22.616 4.025 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -22.518 5.601 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.248 6.726 3.552 1.00 0.00 H new ATOM 579 N LYS A 39 -20.093 6.095 4.037 1.00 0.00 N ATOM 580 CA LYS A 39 -18.777 6.678 4.182 1.00 0.00 C ATOM 581 C LYS A 39 -17.710 5.617 3.963 1.00 0.00 C ATOM 582 O LYS A 39 -17.287 4.937 4.897 1.00 0.00 O ATOM 583 CB LYS A 39 -18.618 7.309 5.567 1.00 0.00 C ATOM 584 CG LYS A 39 -17.730 8.543 5.574 1.00 0.00 C ATOM 585 CD LYS A 39 -18.519 9.799 5.242 1.00 0.00 C ATOM 586 CE LYS A 39 -17.613 10.904 4.723 1.00 0.00 C ATOM 587 NZ LYS A 39 -18.073 12.251 5.162 1.00 0.00 N ATOM 0 H LYS A 39 -20.161 5.130 4.359 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.659 7.460 3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.602 7.578 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.202 6.568 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.265 8.652 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.924 8.417 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.277 9.567 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -19.045 10.146 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.596 10.735 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.583 10.868 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.429 12.977 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.034 12.423 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.077 12.295 6.201 1.00 0.00 H new ATOM 601 N MET A 40 -17.280 5.491 2.720 1.00 0.00 N ATOM 602 CA MET A 40 -16.260 4.526 2.354 1.00 0.00 C ATOM 603 C MET A 40 -15.423 5.044 1.191 1.00 0.00 C ATOM 604 O MET A 40 -15.704 4.755 0.028 1.00 0.00 O ATOM 605 CB MET A 40 -16.900 3.186 1.986 1.00 0.00 C ATOM 606 CG MET A 40 -17.860 3.273 0.809 1.00 0.00 C ATOM 607 SD MET A 40 -19.555 2.849 1.254 1.00 0.00 S ATOM 608 CE MET A 40 -20.124 2.088 -0.264 1.00 0.00 C ATOM 0 H MET A 40 -17.626 6.051 1.941 1.00 0.00 H new ATOM 0 HA MET A 40 -15.606 4.378 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 40 -16.113 2.470 1.750 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.435 2.798 2.853 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.838 4.284 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.519 2.605 0.018 1.00 0.00 H new ATOM 0 HE1 MET A 40 -21.160 1.772 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.055 2.807 -1.080 1.00 0.00 H new ATOM 0 HE3 MET A 40 -19.504 1.221 -0.491 1.00 0.00 H new ATOM 618 N TYR A 41 -14.391 5.810 1.517 1.00 0.00 N ATOM 619 CA TYR A 41 -13.506 6.371 0.512 1.00 0.00 C ATOM 620 C TYR A 41 -12.133 6.676 1.104 1.00 0.00 C ATOM 621 O TYR A 41 -11.852 7.808 1.499 1.00 0.00 O ATOM 622 CB TYR A 41 -14.118 7.637 -0.082 1.00 0.00 C ATOM 623 CG TYR A 41 -14.238 7.605 -1.589 1.00 0.00 C ATOM 624 CD1 TYR A 41 -15.306 6.966 -2.206 1.00 0.00 C ATOM 625 CD2 TYR A 41 -13.284 8.213 -2.394 1.00 0.00 C ATOM 626 CE1 TYR A 41 -15.420 6.934 -3.583 1.00 0.00 C ATOM 627 CE2 TYR A 41 -13.390 8.187 -3.771 1.00 0.00 C ATOM 628 CZ TYR A 41 -14.460 7.546 -4.361 1.00 0.00 C ATOM 629 OH TYR A 41 -14.569 7.517 -5.732 1.00 0.00 O ATOM 0 H TYR A 41 -14.147 6.057 2.476 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.379 5.634 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.108 7.788 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.510 8.494 0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.060 6.486 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.445 8.715 -1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.256 6.432 -4.047 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.639 8.666 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.812 7.995 -6.131 1.00 0.00 H new ATOM 639 N GLY A 42 -11.280 5.658 1.160 1.00 0.00 N ATOM 640 CA GLY A 42 -9.950 5.834 1.698 1.00 0.00 C ATOM 641 C GLY A 42 -8.957 4.840 1.129 1.00 0.00 C ATOM 642 O GLY A 42 -8.929 3.679 1.537 1.00 0.00 O ATOM 0 H GLY A 42 -11.490 4.712 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.607 6.847 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.983 5.729 2.782 1.00 0.00 H new ATOM 646 N ARG A 43 -8.142 5.294 0.183 1.00 0.00 N ATOM 647 CA ARG A 43 -7.147 4.437 -0.443 1.00 0.00 C ATOM 648 C ARG A 43 -5.939 4.251 0.460 1.00 0.00 C ATOM 649 O ARG A 43 -5.710 3.169 1.001 1.00 0.00 O ATOM 650 CB ARG A 43 -6.716 5.018 -1.788 1.00 0.00 C ATOM 651 CG ARG A 43 -7.036 4.118 -2.970 1.00 0.00 C ATOM 652 CD ARG A 43 -8.348 4.510 -3.630 1.00 0.00 C ATOM 653 NE ARG A 43 -9.491 4.292 -2.747 1.00 0.00 N ATOM 654 CZ ARG A 43 -10.004 3.093 -2.481 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.479 2.003 -3.026 1.00 0.00 N ATOM 656 NH2 ARG A 43 -11.044 2.983 -1.666 1.00 0.00 N ATOM 0 H ARG A 43 -8.153 6.252 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.601 3.460 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.206 5.981 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.643 5.207 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.229 4.174 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.091 3.082 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.309 5.560 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.481 3.932 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.921 5.106 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.678 2.081 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.876 1.087 -2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.451 3.817 -1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.437 2.064 -1.462 1.00 0.00 H new ATOM 670 N ASN A 44 -5.175 5.316 0.617 1.00 0.00 N ATOM 671 CA ASN A 44 -3.982 5.289 1.456 1.00 0.00 C ATOM 672 C ASN A 44 -4.319 4.816 2.864 1.00 0.00 C ATOM 673 O ASN A 44 -3.472 4.263 3.566 1.00 0.00 O ATOM 674 CB ASN A 44 -3.332 6.670 1.503 1.00 0.00 C ATOM 675 CG ASN A 44 -1.936 6.673 0.910 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.256 5.648 0.888 1.00 0.00 O ATOM 677 ND2 ASN A 44 -1.502 7.831 0.426 1.00 0.00 N ATOM 0 H ASN A 44 -5.357 6.217 0.174 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.275 4.584 1.018 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.956 7.381 0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.285 7.011 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.571 7.895 0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.100 8.656 0.465 1.00 0.00 H new ATOM 684 N GLU A 45 -5.563 5.031 3.266 1.00 0.00 N ATOM 685 CA GLU A 45 -6.019 4.621 4.583 1.00 0.00 C ATOM 686 C GLU A 45 -6.274 3.120 4.618 1.00 0.00 C ATOM 687 O GLU A 45 -6.187 2.488 5.670 1.00 0.00 O ATOM 688 CB GLU A 45 -7.289 5.380 4.972 1.00 0.00 C ATOM 689 CG GLU A 45 -7.368 5.716 6.452 1.00 0.00 C ATOM 690 CD GLU A 45 -8.302 4.793 7.209 1.00 0.00 C ATOM 691 OE1 GLU A 45 -9.529 5.022 7.163 1.00 0.00 O ATOM 692 OE2 GLU A 45 -7.807 3.841 7.849 1.00 0.00 O ATOM 0 H GLU A 45 -6.275 5.488 2.696 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.236 4.858 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.341 6.303 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.158 4.782 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.371 5.656 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.706 6.746 6.570 1.00 0.00 H new ATOM 699 N LEU A 46 -6.585 2.555 3.457 1.00 0.00 N ATOM 700 CA LEU A 46 -6.848 1.130 3.349 1.00 0.00 C ATOM 701 C LEU A 46 -5.553 0.338 3.395 1.00 0.00 C ATOM 702 O LEU A 46 -5.480 -0.724 4.014 1.00 0.00 O ATOM 703 CB LEU A 46 -7.611 0.823 2.062 1.00 0.00 C ATOM 704 CG LEU A 46 -8.958 0.125 2.256 1.00 0.00 C ATOM 705 CD1 LEU A 46 -9.740 0.106 0.952 1.00 0.00 C ATOM 706 CD2 LEU A 46 -8.753 -1.289 2.777 1.00 0.00 C ATOM 0 H LEU A 46 -6.661 3.065 2.577 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.463 0.833 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.778 1.757 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.984 0.198 1.427 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.534 0.684 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.696 -0.394 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.916 1.129 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.170 -0.430 0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.721 -1.772 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.159 -1.858 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.232 -1.252 3.734 1.00 0.00 H new ATOM 718 N ILE A 47 -4.532 0.868 2.744 1.00 0.00 N ATOM 719 CA ILE A 47 -3.234 0.223 2.716 1.00 0.00 C ATOM 720 C ILE A 47 -2.511 0.437 4.032 1.00 0.00 C ATOM 721 O ILE A 47 -1.783 -0.434 4.506 1.00 0.00 O ATOM 722 CB ILE A 47 -2.350 0.734 1.557 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.722 2.167 1.162 1.00 0.00 C ATOM 724 CG2 ILE A 47 -2.459 -0.193 0.357 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.681 2.846 0.299 1.00 0.00 C ATOM 0 H ILE A 47 -4.579 1.746 2.227 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.412 -0.841 2.557 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.316 0.740 1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.672 2.153 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.873 2.757 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.830 0.182 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.130 -1.193 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.495 -0.233 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.011 3.856 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.735 2.892 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.546 2.279 -0.622 1.00 0.00 H new ATOM 737 N ALA A 48 -2.735 1.598 4.623 1.00 0.00 N ATOM 738 CA ALA A 48 -2.124 1.931 5.895 1.00 0.00 C ATOM 739 C ALA A 48 -2.814 1.186 7.026 1.00 0.00 C ATOM 740 O ALA A 48 -2.210 0.909 8.062 1.00 0.00 O ATOM 741 CB ALA A 48 -2.166 3.433 6.132 1.00 0.00 C ATOM 0 H ALA A 48 -3.337 2.327 4.240 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.079 1.621 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.703 3.663 7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.623 3.942 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.202 3.771 6.139 1.00 0.00 H new ATOM 747 N ARG A 49 -4.081 0.849 6.813 1.00 0.00 N ATOM 748 CA ARG A 49 -4.844 0.119 7.809 1.00 0.00 C ATOM 749 C ARG A 49 -4.337 -1.310 7.909 1.00 0.00 C ATOM 750 O ARG A 49 -4.392 -1.930 8.971 1.00 0.00 O ATOM 751 CB ARG A 49 -6.334 0.132 7.464 1.00 0.00 C ATOM 752 CG ARG A 49 -7.199 -0.608 8.472 1.00 0.00 C ATOM 753 CD ARG A 49 -8.677 -0.342 8.239 1.00 0.00 C ATOM 754 NE ARG A 49 -9.523 -1.142 9.121 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.684 -2.458 9.002 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.059 -3.125 8.039 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.472 -3.109 9.846 1.00 0.00 N ATOM 0 H ARG A 49 -4.597 1.070 5.961 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.713 0.608 8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.674 1.166 7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.474 -0.315 6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.006 -1.678 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.927 -0.300 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.885 0.716 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.926 -0.562 7.201 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.020 -0.664 9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.452 -2.629 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.186 -4.133 7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.955 -2.602 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.595 -4.117 9.754 1.00 0.00 H new ATOM 771 N TYR A 50 -3.829 -1.821 6.795 1.00 0.00 N ATOM 772 CA TYR A 50 -3.293 -3.170 6.754 1.00 0.00 C ATOM 773 C TYR A 50 -2.014 -3.256 7.559 1.00 0.00 C ATOM 774 O TYR A 50 -1.881 -4.081 8.463 1.00 0.00 O ATOM 775 CB TYR A 50 -3.027 -3.596 5.320 1.00 0.00 C ATOM 776 CG TYR A 50 -2.987 -5.094 5.130 1.00 0.00 C ATOM 777 CD1 TYR A 50 -1.891 -5.833 5.554 1.00 0.00 C ATOM 778 CD2 TYR A 50 -4.041 -5.769 4.527 1.00 0.00 C ATOM 779 CE1 TYR A 50 -1.844 -7.202 5.385 1.00 0.00 C ATOM 780 CE2 TYR A 50 -4.002 -7.140 4.354 1.00 0.00 C ATOM 781 CZ TYR A 50 -2.902 -7.851 4.784 1.00 0.00 C ATOM 782 OH TYR A 50 -2.859 -9.216 4.613 1.00 0.00 O ATOM 0 H TYR A 50 -3.778 -1.319 5.909 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.032 -3.842 7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.801 -3.177 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.077 -3.172 4.994 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.060 -5.328 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.904 -5.214 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.984 -7.762 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.829 -7.651 3.884 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.682 -9.517 4.175 1.00 0.00 H new ATOM 792 N ILE A 51 -1.080 -2.386 7.226 1.00 0.00 N ATOM 793 CA ILE A 51 0.195 -2.340 7.917 1.00 0.00 C ATOM 794 C ILE A 51 -0.005 -1.945 9.371 1.00 0.00 C ATOM 795 O ILE A 51 0.734 -2.377 10.255 1.00 0.00 O ATOM 796 CB ILE A 51 1.184 -1.359 7.254 1.00 0.00 C ATOM 797 CG1 ILE A 51 0.448 -0.255 6.487 1.00 0.00 C ATOM 798 CG2 ILE A 51 2.133 -2.109 6.331 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.260 1.011 6.328 1.00 0.00 C ATOM 0 H ILE A 51 -1.180 -1.699 6.479 1.00 0.00 H new ATOM 0 HA ILE A 51 0.623 -3.341 7.858 1.00 0.00 H new ATOM 0 HB ILE A 51 1.764 -0.883 8.044 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.175 -0.629 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.481 -0.019 7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.825 -1.404 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.694 -2.845 6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.560 -2.616 5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.678 1.749 5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.511 1.408 7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.177 0.789 5.782 1.00 0.00 H new ATOM 811 N LYS A 52 -1.019 -1.126 9.607 1.00 0.00 N ATOM 812 CA LYS A 52 -1.338 -0.670 10.949 1.00 0.00 C ATOM 813 C LYS A 52 -1.934 -1.802 11.777 1.00 0.00 C ATOM 814 O LYS A 52 -1.827 -1.811 13.003 1.00 0.00 O ATOM 815 CB LYS A 52 -2.311 0.509 10.896 1.00 0.00 C ATOM 816 CG LYS A 52 -1.629 1.851 10.684 1.00 0.00 C ATOM 817 CD LYS A 52 -1.396 2.572 12.002 1.00 0.00 C ATOM 818 CE LYS A 52 -1.502 4.079 11.839 1.00 0.00 C ATOM 819 NZ LYS A 52 -1.706 4.766 13.144 1.00 0.00 N ATOM 0 H LYS A 52 -1.637 -0.763 8.881 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.413 -0.343 11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.026 0.343 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.879 0.542 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.676 1.700 10.177 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.242 2.473 10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.125 2.232 12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.410 2.315 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.595 4.458 11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.331 4.314 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.773 5.792 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.585 4.424 13.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.903 4.563 13.773 1.00 0.00 H new ATOM 833 N LEU A 53 -2.564 -2.754 11.099 1.00 0.00 N ATOM 834 CA LEU A 53 -3.178 -3.890 11.768 1.00 0.00 C ATOM 835 C LEU A 53 -2.195 -5.049 11.909 1.00 0.00 C ATOM 836 O LEU A 53 -2.351 -5.906 12.779 1.00 0.00 O ATOM 837 CB LEU A 53 -4.419 -4.349 11.001 1.00 0.00 C ATOM 838 CG LEU A 53 -5.513 -4.988 11.859 1.00 0.00 C ATOM 839 CD1 LEU A 53 -6.780 -5.187 11.043 1.00 0.00 C ATOM 840 CD2 LEU A 53 -5.033 -6.312 12.434 1.00 0.00 C ATOM 0 H LEU A 53 -2.662 -2.760 10.084 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.471 -3.570 12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.843 -3.491 10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.112 -5.065 10.239 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.740 -4.316 12.687 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.548 -5.642 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.134 -4.222 10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.568 -5.839 10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.823 -6.753 13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.779 -6.991 11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.152 -6.142 13.053 1.00 0.00 H new ATOM 852 N ARG A 54 -1.189 -5.073 11.044 1.00 0.00 N ATOM 853 CA ARG A 54 -0.184 -6.131 11.066 1.00 0.00 C ATOM 854 C ARG A 54 0.530 -6.192 12.408 1.00 0.00 C ATOM 855 O ARG A 54 0.506 -7.214 13.094 1.00 0.00 O ATOM 856 CB ARG A 54 0.833 -5.920 9.942 1.00 0.00 C ATOM 857 CG ARG A 54 1.270 -7.210 9.268 1.00 0.00 C ATOM 858 CD ARG A 54 2.595 -7.707 9.821 1.00 0.00 C ATOM 859 NE ARG A 54 2.679 -9.166 9.816 1.00 0.00 N ATOM 860 CZ ARG A 54 2.760 -9.900 8.708 1.00 0.00 C ATOM 861 NH1 ARG A 54 2.767 -9.316 7.516 1.00 0.00 N ATOM 862 NH2 ARG A 54 2.835 -11.221 8.793 1.00 0.00 N ATOM 0 H ARG A 54 -1.046 -4.372 10.317 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.698 -7.080 10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.402 -5.256 9.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.710 -5.416 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.505 -7.974 9.411 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.361 -7.048 8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.412 -7.295 9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.723 -7.340 10.839 1.00 0.00 H new ATOM 0 HE ARG A 54 2.675 -9.650 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.710 -8.300 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.829 -9.883 6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.831 -11.674 9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.897 -11.784 7.945 1.00 0.00 H new ATOM 876 N THR A 55 1.168 -5.094 12.768 1.00 0.00 N ATOM 877 CA THR A 55 1.901 -5.006 14.021 1.00 0.00 C ATOM 878 C THR A 55 1.168 -4.139 15.045 1.00 0.00 C ATOM 879 O THR A 55 1.636 -3.973 16.172 1.00 0.00 O ATOM 880 CB THR A 55 3.305 -4.450 13.777 1.00 0.00 C ATOM 881 OG1 THR A 55 3.911 -4.065 14.998 1.00 0.00 O ATOM 882 CG2 THR A 55 3.323 -3.248 12.857 1.00 0.00 C ATOM 0 H THR A 55 1.194 -4.243 12.206 1.00 0.00 H new ATOM 0 HA THR A 55 1.977 -6.014 14.428 1.00 0.00 H new ATOM 0 HB THR A 55 3.856 -5.260 13.300 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.334 -4.326 15.746 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.349 -2.905 12.727 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.908 -3.525 11.888 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.725 -2.447 13.293 1.00 0.00 H new ATOM 890 N GLY A 56 0.021 -3.589 14.655 1.00 0.00 N ATOM 891 CA GLY A 56 -0.743 -2.753 15.561 1.00 0.00 C ATOM 892 C GLY A 56 -0.015 -1.476 15.940 1.00 0.00 C ATOM 893 O GLY A 56 -0.400 -0.797 16.891 1.00 0.00 O ATOM 0 H GLY A 56 -0.391 -3.708 13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.696 -2.498 15.097 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.970 -3.318 16.465 1.00 0.00 H new ATOM 897 N LYS A 57 1.039 -1.147 15.198 1.00 0.00 N ATOM 898 CA LYS A 57 1.815 0.053 15.466 1.00 0.00 C ATOM 899 C LYS A 57 2.709 0.405 14.281 1.00 0.00 C ATOM 900 O LYS A 57 3.857 -0.033 14.205 1.00 0.00 O ATOM 901 CB LYS A 57 2.660 -0.140 16.720 1.00 0.00 C ATOM 902 CG LYS A 57 2.539 1.001 17.718 1.00 0.00 C ATOM 903 CD LYS A 57 3.547 2.102 17.430 1.00 0.00 C ATOM 904 CE LYS A 57 3.109 3.429 18.028 1.00 0.00 C ATOM 905 NZ LYS A 57 2.456 4.305 17.017 1.00 0.00 N ATOM 0 H LYS A 57 1.373 -1.697 14.407 1.00 0.00 H new ATOM 0 HA LYS A 57 1.121 0.878 15.624 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.366 -1.070 17.207 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.705 -0.249 16.430 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.530 1.412 17.682 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.693 0.620 18.728 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.519 1.822 17.836 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.671 2.211 16.353 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.418 3.246 18.850 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.975 3.942 18.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.172 5.200 17.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.124 4.501 16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.615 3.827 16.635 1.00 0.00 H new ATOM 919 N THR A 58 2.177 1.202 13.360 1.00 0.00 N ATOM 920 CA THR A 58 2.925 1.617 12.184 1.00 0.00 C ATOM 921 C THR A 58 2.506 3.010 11.729 1.00 0.00 C ATOM 922 O THR A 58 1.473 3.530 12.152 1.00 0.00 O ATOM 923 CB THR A 58 2.737 0.620 11.044 1.00 0.00 C ATOM 924 OG1 THR A 58 2.107 -0.563 11.502 1.00 0.00 O ATOM 925 CG2 THR A 58 4.037 0.221 10.377 1.00 0.00 C ATOM 0 H THR A 58 1.228 1.573 13.408 1.00 0.00 H new ATOM 0 HA THR A 58 3.980 1.646 12.458 1.00 0.00 H new ATOM 0 HB THR A 58 2.115 1.137 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.910 -1.145 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.832 -0.489 9.576 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.520 1.106 9.963 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.696 -0.241 11.112 1.00 0.00 H new ATOM 933 N ARG A 59 3.307 3.601 10.850 1.00 0.00 N ATOM 934 CA ARG A 59 3.022 4.918 10.316 1.00 0.00 C ATOM 935 C ARG A 59 3.701 5.088 8.965 1.00 0.00 C ATOM 936 O ARG A 59 4.619 5.893 8.809 1.00 0.00 O ATOM 937 CB ARG A 59 3.489 6.005 11.286 1.00 0.00 C ATOM 938 CG ARG A 59 2.412 6.456 12.259 1.00 0.00 C ATOM 939 CD ARG A 59 2.544 7.934 12.589 1.00 0.00 C ATOM 940 NE ARG A 59 1.544 8.370 13.561 1.00 0.00 N ATOM 941 CZ ARG A 59 1.640 8.155 14.871 1.00 0.00 C ATOM 942 NH1 ARG A 59 2.688 7.511 15.369 1.00 0.00 N ATOM 943 NH2 ARG A 59 0.686 8.585 15.685 1.00 0.00 N ATOM 0 H ARG A 59 4.165 3.181 10.493 1.00 0.00 H new ATOM 0 HA ARG A 59 1.944 5.016 10.186 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.344 5.633 11.850 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.834 6.866 10.714 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.429 6.264 11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.479 5.870 13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.541 8.130 12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.441 8.520 11.676 1.00 0.00 H new ATOM 0 HE ARG A 59 0.724 8.869 13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.425 7.178 14.747 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.757 7.349 16.374 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.122 9.081 15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.760 8.420 16.689 1.00 0.00 H new ATOM 957 N THR A 60 3.237 4.318 7.993 1.00 0.00 N ATOM 958 CA THR A 60 3.782 4.364 6.649 1.00 0.00 C ATOM 959 C THR A 60 2.668 4.276 5.609 1.00 0.00 C ATOM 960 O THR A 60 2.359 3.195 5.110 1.00 0.00 O ATOM 961 CB THR A 60 4.788 3.231 6.441 1.00 0.00 C ATOM 962 OG1 THR A 60 4.843 2.388 7.579 1.00 0.00 O ATOM 963 CG2 THR A 60 6.193 3.722 6.166 1.00 0.00 C ATOM 0 H THR A 60 2.477 3.648 8.114 1.00 0.00 H new ATOM 0 HA THR A 60 4.296 5.317 6.524 1.00 0.00 H new ATOM 0 HB THR A 60 4.431 2.688 5.566 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.491 1.670 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.856 2.868 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.195 4.333 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.541 4.319 7.009 1.00 0.00 H new ATOM 971 N ARG A 61 2.068 5.417 5.287 1.00 0.00 N ATOM 972 CA ARG A 61 0.991 5.463 4.313 1.00 0.00 C ATOM 973 C ARG A 61 1.473 6.058 2.999 1.00 0.00 C ATOM 974 O ARG A 61 1.018 5.672 1.922 1.00 0.00 O ATOM 975 CB ARG A 61 -0.190 6.272 4.854 1.00 0.00 C ATOM 976 CG ARG A 61 -0.467 6.038 6.330 1.00 0.00 C ATOM 977 CD ARG A 61 -1.908 6.368 6.685 1.00 0.00 C ATOM 978 NE ARG A 61 -2.080 7.780 7.019 1.00 0.00 N ATOM 979 CZ ARG A 61 -3.149 8.269 7.644 1.00 0.00 C ATOM 980 NH1 ARG A 61 -4.140 7.464 8.006 1.00 0.00 N ATOM 981 NH2 ARG A 61 -3.226 9.566 7.909 1.00 0.00 N ATOM 0 H ARG A 61 2.312 6.322 5.689 1.00 0.00 H new ATOM 0 HA ARG A 61 0.661 4.441 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.004 7.333 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.083 6.021 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.259 4.998 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.206 6.651 6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.556 6.112 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.223 5.755 7.529 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.338 8.429 6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.085 6.465 7.806 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.957 7.844 8.485 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.466 10.189 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.045 9.941 8.388 1.00 0.00 H new ATOM 995 N LYS A 62 2.396 7.000 3.100 1.00 0.00 N ATOM 996 CA LYS A 62 2.951 7.657 1.928 1.00 0.00 C ATOM 997 C LYS A 62 3.889 6.725 1.175 1.00 0.00 C ATOM 998 O LYS A 62 4.026 6.813 -0.045 1.00 0.00 O ATOM 999 CB LYS A 62 3.686 8.931 2.335 1.00 0.00 C ATOM 1000 CG LYS A 62 3.189 10.177 1.621 1.00 0.00 C ATOM 1001 CD LYS A 62 3.960 10.426 0.335 1.00 0.00 C ATOM 1002 CE LYS A 62 3.294 11.495 -0.516 1.00 0.00 C ATOM 1003 NZ LYS A 62 3.871 12.845 -0.266 1.00 0.00 N ATOM 0 H LYS A 62 2.779 7.328 3.987 1.00 0.00 H new ATOM 0 HA LYS A 62 2.128 7.921 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.581 9.073 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.750 8.807 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.128 10.070 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.289 11.040 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.979 10.732 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.031 9.499 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.407 11.242 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.225 11.513 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.389 13.545 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.741 13.098 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.886 12.836 -0.492 1.00 0.00 H new ATOM 1017 N GLN A 63 4.529 5.831 1.913 1.00 0.00 N ATOM 1018 CA GLN A 63 5.454 4.876 1.325 1.00 0.00 C ATOM 1019 C GLN A 63 4.703 3.759 0.612 1.00 0.00 C ATOM 1020 O GLN A 63 5.211 3.162 -0.338 1.00 0.00 O ATOM 1021 CB GLN A 63 6.375 4.296 2.396 1.00 0.00 C ATOM 1022 CG GLN A 63 7.843 4.628 2.181 1.00 0.00 C ATOM 1023 CD GLN A 63 8.747 3.954 3.195 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.372 2.958 3.813 1.00 0.00 O ATOM 1025 NE2 GLN A 63 9.946 4.497 3.371 1.00 0.00 N ATOM 0 H GLN A 63 4.424 5.747 2.924 1.00 0.00 H new ATOM 0 HA GLN A 63 6.061 5.403 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.065 4.671 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.256 3.213 2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.138 4.322 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.980 5.708 2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.215 5.323 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.598 4.088 4.040 1.00 0.00 H new ATOM 1034 N VAL A 64 3.491 3.483 1.075 1.00 0.00 N ATOM 1035 CA VAL A 64 2.667 2.441 0.484 1.00 0.00 C ATOM 1036 C VAL A 64 1.953 2.941 -0.765 1.00 0.00 C ATOM 1037 O VAL A 64 1.531 2.148 -1.606 1.00 0.00 O ATOM 1038 CB VAL A 64 1.621 1.903 1.480 1.00 0.00 C ATOM 1039 CG1 VAL A 64 0.978 0.633 0.943 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.250 1.651 2.842 1.00 0.00 C ATOM 0 H VAL A 64 3.057 3.969 1.860 1.00 0.00 H new ATOM 0 HA VAL A 64 3.343 1.630 0.213 1.00 0.00 H new ATOM 0 HB VAL A 64 0.845 2.658 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.242 0.267 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.486 0.847 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.745 -0.127 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.493 1.272 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.050 0.917 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.659 2.583 3.232 1.00 0.00 H new ATOM 1050 N SER A 65 1.834 4.257 -0.890 1.00 0.00 N ATOM 1051 CA SER A 65 1.188 4.853 -2.045 1.00 0.00 C ATOM 1052 C SER A 65 2.204 5.051 -3.155 1.00 0.00 C ATOM 1053 O SER A 65 1.876 5.000 -4.341 1.00 0.00 O ATOM 1054 CB SER A 65 0.539 6.188 -1.674 1.00 0.00 C ATOM 1055 OG SER A 65 -0.690 6.365 -2.357 1.00 0.00 O ATOM 0 H SER A 65 2.177 4.929 -0.204 1.00 0.00 H new ATOM 0 HA SER A 65 0.404 4.180 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.369 6.227 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.216 7.006 -1.920 1.00 0.00 H new ATOM 0 HG SER A 65 -1.085 7.224 -2.101 1.00 0.00 H new ATOM 1061 N SER A 66 3.447 5.260 -2.749 1.00 0.00 N ATOM 1062 CA SER A 66 4.541 5.449 -3.679 1.00 0.00 C ATOM 1063 C SER A 66 4.904 4.131 -4.344 1.00 0.00 C ATOM 1064 O SER A 66 5.316 4.095 -5.503 1.00 0.00 O ATOM 1065 CB SER A 66 5.748 6.016 -2.946 1.00 0.00 C ATOM 1066 OG SER A 66 6.311 7.109 -3.649 1.00 0.00 O ATOM 0 H SER A 66 3.722 5.303 -1.768 1.00 0.00 H new ATOM 0 HA SER A 66 4.230 6.152 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.452 6.337 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.499 5.236 -2.820 1.00 0.00 H new ATOM 0 HG SER A 66 7.083 7.454 -3.154 1.00 0.00 H new ATOM 1072 N HIS A 67 4.744 3.050 -3.594 1.00 0.00 N ATOM 1073 CA HIS A 67 5.051 1.718 -4.095 1.00 0.00 C ATOM 1074 C HIS A 67 4.061 1.298 -5.172 1.00 0.00 C ATOM 1075 O HIS A 67 4.411 0.578 -6.107 1.00 0.00 O ATOM 1076 CB HIS A 67 5.045 0.701 -2.952 1.00 0.00 C ATOM 1077 CG HIS A 67 5.761 -0.572 -3.280 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.588 -1.449 -4.297 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 6.794 -1.073 -2.516 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.511 -2.453 -4.130 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.226 -2.202 -3.049 1.00 0.00 N flip ATOM 0 H HIS A 67 4.402 3.070 -2.633 1.00 0.00 H new ATOM 0 HA HIS A 67 6.047 1.748 -4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.506 1.152 -2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.013 0.470 -2.687 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.901 -1.378 -5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.188 -0.614 -1.621 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.632 -3.309 -4.778 1.00 0.00 H new ATOM 1090 N ILE A 68 2.826 1.758 -5.037 1.00 0.00 N ATOM 1091 CA ILE A 68 1.785 1.435 -6.001 1.00 0.00 C ATOM 1092 C ILE A 68 2.009 2.177 -7.311 1.00 0.00 C ATOM 1093 O ILE A 68 1.609 1.713 -8.379 1.00 0.00 O ATOM 1094 CB ILE A 68 0.381 1.769 -5.459 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.188 1.160 -4.070 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.692 1.267 -6.415 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.815 1.905 -3.218 1.00 0.00 C ATOM 0 H ILE A 68 2.520 2.356 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 68 1.841 0.361 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 68 0.290 2.852 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.137 0.125 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.148 1.141 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.677 1.511 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.565 1.744 -7.387 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.603 0.186 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.901 1.417 -2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.482 2.934 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.786 1.902 -3.713 1.00 0.00 H new ATOM 1109 N GLN A 69 2.660 3.328 -7.220 1.00 0.00 N ATOM 1110 CA GLN A 69 2.951 4.135 -8.394 1.00 0.00 C ATOM 1111 C GLN A 69 4.050 3.490 -9.228 1.00 0.00 C ATOM 1112 O GLN A 69 4.107 3.665 -10.445 1.00 0.00 O ATOM 1113 CB GLN A 69 3.363 5.550 -7.984 1.00 0.00 C ATOM 1114 CG GLN A 69 2.297 6.287 -7.190 1.00 0.00 C ATOM 1115 CD GLN A 69 2.236 7.764 -7.528 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.777 8.204 -8.542 1.00 0.00 O ATOM 1117 NE2 GLN A 69 1.576 8.539 -6.675 1.00 0.00 N ATOM 0 H GLN A 69 2.997 3.724 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 69 2.046 4.196 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.275 5.496 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.600 6.125 -8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.325 5.833 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.496 6.170 -6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.142 8.132 -5.846 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.503 9.541 -6.849 1.00 0.00 H new ATOM 1126 N VAL A 70 4.917 2.739 -8.562 1.00 0.00 N ATOM 1127 CA VAL A 70 6.013 2.058 -9.235 1.00 0.00 C ATOM 1128 C VAL A 70 5.496 0.913 -10.093 1.00 0.00 C ATOM 1129 O VAL A 70 6.098 0.561 -11.108 1.00 0.00 O ATOM 1130 CB VAL A 70 7.046 1.512 -8.241 1.00 0.00 C ATOM 1131 CG1 VAL A 70 8.365 1.230 -8.943 1.00 0.00 C ATOM 1132 CG2 VAL A 70 7.246 2.475 -7.079 1.00 0.00 C ATOM 0 H VAL A 70 4.882 2.586 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 70 6.499 2.800 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 70 6.666 0.574 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.085 0.843 -8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.208 0.493 -9.730 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.749 2.152 -9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.983 2.064 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.599 3.434 -7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.300 2.617 -6.557 1.00 0.00 H new ATOM 1142 N LEU A 71 4.375 0.338 -9.679 1.00 0.00 N ATOM 1143 CA LEU A 71 3.769 -0.766 -10.408 1.00 0.00 C ATOM 1144 C LEU A 71 3.189 -0.286 -11.733 1.00 0.00 C ATOM 1145 O LEU A 71 3.128 -1.037 -12.706 1.00 0.00 O ATOM 1146 CB LEU A 71 2.684 -1.431 -9.564 1.00 0.00 C ATOM 1147 CG LEU A 71 2.937 -2.901 -9.227 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.744 -3.023 -7.944 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.620 -3.653 -9.103 1.00 0.00 C ATOM 0 H LEU A 71 3.867 0.619 -8.841 1.00 0.00 H new ATOM 0 HA LEU A 71 4.546 -1.501 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.576 -0.874 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.734 -1.354 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 71 3.513 -3.346 -10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.914 -4.076 -7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.702 -2.519 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.195 -2.562 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.819 -4.698 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.019 -3.206 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.077 -3.594 -10.047 1.00 0.00 H new ATOM 1161 N ALA A 72 2.770 0.972 -11.760 1.00 0.00 N ATOM 1162 CA ALA A 72 2.200 1.560 -12.963 1.00 0.00 C ATOM 1163 C ALA A 72 3.268 1.765 -14.027 1.00 0.00 C ATOM 1164 O ALA A 72 2.984 1.738 -15.224 1.00 0.00 O ATOM 1165 CB ALA A 72 1.512 2.876 -12.635 1.00 0.00 C ATOM 0 H ALA A 72 2.815 1.605 -10.961 1.00 0.00 H new ATOM 0 HA ALA A 72 1.457 0.869 -13.361 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.091 3.303 -13.545 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.714 2.699 -11.914 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.237 3.570 -12.210 1.00 0.00 H new ATOM 1171 N ARG A 73 4.500 1.966 -13.579 1.00 0.00 N ATOM 1172 CA ARG A 73 5.619 2.171 -14.485 1.00 0.00 C ATOM 1173 C ARG A 73 5.974 0.878 -15.208 1.00 0.00 C ATOM 1174 O ARG A 73 6.489 0.898 -16.326 1.00 0.00 O ATOM 1175 CB ARG A 73 6.836 2.695 -13.721 1.00 0.00 C ATOM 1176 CG ARG A 73 6.848 4.207 -13.558 1.00 0.00 C ATOM 1177 CD ARG A 73 7.238 4.903 -14.852 1.00 0.00 C ATOM 1178 NE ARG A 73 8.040 6.099 -14.609 1.00 0.00 N ATOM 1179 CZ ARG A 73 8.327 7.002 -15.545 1.00 0.00 C ATOM 1180 NH1 ARG A 73 7.881 6.847 -16.785 1.00 0.00 N ATOM 1181 NH2 ARG A 73 9.063 8.061 -15.239 1.00 0.00 N ATOM 0 H ARG A 73 4.749 1.991 -12.590 1.00 0.00 H new ATOM 0 HA ARG A 73 5.322 2.912 -15.227 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.863 2.231 -12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.742 2.387 -14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.862 4.548 -13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.548 4.484 -12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.799 4.212 -15.481 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.338 5.176 -15.403 1.00 0.00 H new ATOM 0 HE ARG A 73 8.401 6.252 -13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.315 6.033 -17.025 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.104 7.542 -17.498 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.409 8.184 -14.287 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.283 8.753 -15.955 1.00 0.00 H new ATOM 1195 N ARG A 74 5.691 -0.244 -14.560 1.00 0.00 N ATOM 1196 CA ARG A 74 5.974 -1.552 -15.133 1.00 0.00 C ATOM 1197 C ARG A 74 5.008 -1.871 -16.268 1.00 0.00 C ATOM 1198 O ARG A 74 5.328 -2.640 -17.174 1.00 0.00 O ATOM 1199 CB ARG A 74 5.892 -2.635 -14.056 1.00 0.00 C ATOM 1200 CG ARG A 74 6.925 -3.737 -14.222 1.00 0.00 C ATOM 1201 CD ARG A 74 6.822 -4.770 -13.111 1.00 0.00 C ATOM 1202 NE ARG A 74 6.047 -5.939 -13.520 1.00 0.00 N ATOM 1203 CZ ARG A 74 6.427 -6.783 -14.476 1.00 0.00 C ATOM 1204 NH1 ARG A 74 7.569 -6.591 -15.124 1.00 0.00 N ATOM 1205 NH2 ARG A 74 5.663 -7.821 -14.786 1.00 0.00 N ATOM 0 H ARG A 74 5.264 -0.274 -13.634 1.00 0.00 H new ATOM 0 HA ARG A 74 6.986 -1.530 -15.538 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.020 -2.173 -13.077 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.896 -3.077 -14.072 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.787 -4.224 -15.187 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.925 -3.303 -14.225 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.823 -5.084 -12.814 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.358 -4.316 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 74 5.163 -6.119 -13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.160 -5.793 -14.890 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.856 -7.241 -15.856 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.784 -7.973 -14.292 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.954 -8.468 -15.519 1.00 0.00 H new ATOM 1219 N LYS A 75 3.824 -1.275 -16.210 1.00 0.00 N ATOM 1220 CA LYS A 75 2.808 -1.493 -17.228 1.00 0.00 C ATOM 1221 C LYS A 75 3.057 -0.615 -18.449 1.00 0.00 C ATOM 1222 O LYS A 75 2.662 -0.956 -19.564 1.00 0.00 O ATOM 1223 CB LYS A 75 1.416 -1.214 -16.659 1.00 0.00 C ATOM 1224 CG LYS A 75 0.761 -2.432 -16.028 1.00 0.00 C ATOM 1225 CD LYS A 75 1.273 -2.671 -14.617 1.00 0.00 C ATOM 1226 CE LYS A 75 1.072 -4.115 -14.188 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.355 -4.410 -13.880 1.00 0.00 N ATOM 0 H LYS A 75 3.544 -0.635 -15.466 1.00 0.00 H new ATOM 0 HA LYS A 75 2.864 -2.536 -17.539 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.490 -0.424 -15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.775 -0.840 -17.457 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.320 -2.294 -16.006 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.958 -3.311 -16.642 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.332 -2.419 -14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.754 -2.009 -13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.417 -4.780 -14.979 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.683 -4.321 -13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.449 -5.405 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.678 -3.793 -13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.935 -4.238 -14.726 1.00 0.00 H new ATOM 1241 N SER A 76 3.711 0.518 -18.228 1.00 0.00 N ATOM 1242 CA SER A 76 4.013 1.451 -19.302 1.00 0.00 C ATOM 1243 C SER A 76 5.353 1.133 -19.960 1.00 0.00 C ATOM 1244 O SER A 76 5.635 1.597 -21.065 1.00 0.00 O ATOM 1245 CB SER A 76 4.018 2.886 -18.772 1.00 0.00 C ATOM 1246 OG SER A 76 2.699 3.355 -18.555 1.00 0.00 O ATOM 0 H SER A 76 4.043 0.813 -17.310 1.00 0.00 H new ATOM 0 HA SER A 76 3.234 1.349 -20.058 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.581 2.930 -17.840 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.526 3.538 -19.483 1.00 0.00 H new ATOM 0 HG SER A 76 2.730 4.274 -18.215 1.00 0.00 H new ATOM 1252 N ARG A 77 6.177 0.343 -19.280 1.00 0.00 N ATOM 1253 CA ARG A 77 7.485 -0.030 -19.809 1.00 0.00 C ATOM 1254 C ARG A 77 7.351 -0.793 -21.125 1.00 0.00 C ATOM 1255 O ARG A 77 8.317 -0.920 -21.878 1.00 0.00 O ATOM 1256 CB ARG A 77 8.251 -0.874 -18.788 1.00 0.00 C ATOM 1257 CG ARG A 77 7.650 -2.252 -18.559 1.00 0.00 C ATOM 1258 CD ARG A 77 8.460 -3.337 -19.251 1.00 0.00 C ATOM 1259 NE ARG A 77 9.865 -3.311 -18.851 1.00 0.00 N ATOM 1260 CZ ARG A 77 10.762 -4.218 -19.231 1.00 0.00 C ATOM 1261 NH1 ARG A 77 10.404 -5.224 -20.019 1.00 0.00 N ATOM 1262 NH2 ARG A 77 12.019 -4.120 -18.821 1.00 0.00 N ATOM 0 H ARG A 77 5.964 -0.051 -18.364 1.00 0.00 H new ATOM 0 HA ARG A 77 8.042 0.887 -20.002 1.00 0.00 H new ATOM 0 HB2 ARG A 77 9.281 -0.988 -19.124 1.00 0.00 H new ATOM 0 HB3 ARG A 77 8.283 -0.339 -17.839 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.605 -2.457 -17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.625 -2.269 -18.930 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.034 -4.313 -19.016 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.388 -3.210 -20.331 1.00 0.00 H new ATOM 0 HE ARG A 77 10.177 -2.553 -18.244 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.438 -5.305 -20.336 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.095 -5.917 -20.308 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.299 -3.349 -18.214 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.706 -4.815 -19.112 1.00 0.00 H new ATOM 1276 N ASP A 78 6.152 -1.301 -21.398 1.00 0.00 N ATOM 1277 CA ASP A 78 5.895 -2.048 -22.615 1.00 0.00 C ATOM 1278 C ASP A 78 6.230 -1.224 -23.855 1.00 0.00 C ATOM 1279 O ASP A 78 6.479 -1.773 -24.928 1.00 0.00 O ATOM 1280 CB ASP A 78 4.430 -2.476 -22.643 1.00 0.00 C ATOM 1281 CG ASP A 78 3.480 -1.299 -22.746 1.00 0.00 C ATOM 1282 OD1 ASP A 78 3.509 -0.432 -21.848 1.00 0.00 O ATOM 1283 OD2 ASP A 78 2.707 -1.244 -23.725 1.00 0.00 O ATOM 0 H ASP A 78 5.342 -1.205 -20.786 1.00 0.00 H new ATOM 0 HA ASP A 78 6.536 -2.930 -22.624 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.267 -3.145 -23.488 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.204 -3.043 -21.740 1.00 0.00 H new ATOM 1288 N LEU A 79 6.235 0.095 -23.699 1.00 0.00 N ATOM 1289 CA LEU A 79 6.540 0.995 -24.804 1.00 0.00 C ATOM 1290 C LEU A 79 7.989 0.837 -25.251 1.00 0.00 C ATOM 1291 O LEU A 79 8.844 1.660 -24.923 1.00 0.00 O ATOM 1292 CB LEU A 79 6.274 2.445 -24.395 1.00 0.00 C ATOM 1293 CG LEU A 79 4.840 2.929 -24.618 1.00 0.00 C ATOM 1294 CD1 LEU A 79 3.980 2.627 -23.401 1.00 0.00 C ATOM 1295 CD2 LEU A 79 4.823 4.418 -24.929 1.00 0.00 C ATOM 0 H LEU A 79 6.031 0.565 -22.817 1.00 0.00 H new ATOM 0 HA LEU A 79 5.892 0.736 -25.641 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.520 2.559 -23.339 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.951 3.093 -24.952 1.00 0.00 H new ATOM 0 HG LEU A 79 4.425 2.395 -25.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.963 2.978 -23.578 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.967 1.552 -23.223 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.393 3.134 -22.529 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.795 4.745 -25.085 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.257 4.969 -24.095 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.405 4.608 -25.831 1.00 0.00 H new ATOM 1307 N VAL A 80 8.260 -0.228 -25.999 1.00 0.00 N ATOM 1308 CA VAL A 80 9.600 -0.497 -26.490 1.00 0.00 C ATOM 1309 C VAL A 80 9.750 -0.083 -27.952 1.00 0.00 C ATOM 1310 O VAL A 80 9.461 -0.865 -28.858 1.00 0.00 O ATOM 1311 CB VAL A 80 9.969 -1.981 -26.353 1.00 0.00 C ATOM 1312 CG1 VAL A 80 11.479 -2.155 -26.323 1.00 0.00 C ATOM 1313 CG2 VAL A 80 9.329 -2.593 -25.114 1.00 0.00 C ATOM 0 H VAL A 80 7.564 -0.919 -26.277 1.00 0.00 H new ATOM 0 HA VAL A 80 10.278 0.095 -25.875 1.00 0.00 H new ATOM 0 HB VAL A 80 9.580 -2.508 -27.224 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.721 -3.213 -26.225 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.908 -1.768 -27.247 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.891 -1.609 -25.475 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.607 -3.644 -25.042 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.676 -2.064 -24.226 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.245 -2.509 -25.185 1.00 0.00 H new ATOM 1323 N PRO A 81 10.206 1.157 -28.204 1.00 0.00 N ATOM 1324 CA PRO A 81 10.392 1.667 -29.567 1.00 0.00 C ATOM 1325 C PRO A 81 11.494 0.930 -30.325 1.00 0.00 C ATOM 1326 O PRO A 81 11.614 1.060 -31.543 1.00 0.00 O ATOM 1327 CB PRO A 81 10.777 3.131 -29.356 1.00 0.00 C ATOM 1328 CG PRO A 81 11.340 3.178 -27.982 1.00 0.00 C ATOM 1329 CD PRO A 81 10.576 2.158 -27.189 1.00 0.00 C ATOM 0 HA PRO A 81 9.495 1.532 -30.172 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.508 3.459 -30.095 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.911 3.786 -29.452 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.406 2.949 -27.989 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.230 4.172 -27.549 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.186 1.723 -26.397 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.698 2.593 -26.712 1.00 0.00 H new ATOM 1337 N ARG A 82 12.294 0.158 -29.598 1.00 0.00 N ATOM 1338 CA ARG A 82 13.384 -0.597 -30.205 1.00 0.00 C ATOM 1339 C ARG A 82 12.852 -1.587 -31.235 1.00 0.00 C ATOM 1340 O ARG A 82 11.826 -2.240 -30.952 1.00 0.00 O ATOM 1341 CB ARG A 82 14.178 -1.340 -29.129 1.00 0.00 C ATOM 1342 CG ARG A 82 14.904 -0.419 -28.163 1.00 0.00 C ATOM 1343 CD ARG A 82 15.531 -1.195 -27.016 1.00 0.00 C ATOM 1344 NE ARG A 82 15.504 -0.441 -25.765 1.00 0.00 N ATOM 1345 CZ ARG A 82 16.313 0.581 -25.498 1.00 0.00 C ATOM 1346 NH1 ARG A 82 17.213 0.975 -26.391 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.222 1.212 -24.336 1.00 0.00 N ATOM 1348 OXT ARG A 82 13.465 -1.701 -32.317 1.00 0.00 O ATOM 0 H ARG A 82 12.208 0.039 -28.589 1.00 0.00 H new ATOM 0 HA ARG A 82 14.043 0.108 -30.712 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.499 -1.981 -28.566 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.905 -1.992 -29.612 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.678 0.132 -28.697 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.205 0.317 -27.766 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.000 -2.137 -26.883 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.562 -1.443 -27.267 1.00 0.00 H new ATOM 0 HE ARG A 82 14.825 -0.714 -25.054 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.287 0.494 -27.287 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.831 1.759 -26.181 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.532 0.914 -23.647 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.842 1.995 -24.131 1.00 0.00 H new TER 1362 ARG A 82