USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 621 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 7 THR OG1 : rot -90:sc= 1.3 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.196 (180deg=-0.312) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 172:sc= -1.5 (180deg=-2.08) USER MOD Single : A 18 CYS SG : rot -90:sc= -4.76! USER MOD Single : A 19 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.624) USER MOD Single : A 31 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -93:sc= 0.744 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 73:sc= -0.149 USER MOD Single : A 56 MET CE :methyl 154:sc= -11.4! (180deg=-13.3!) USER MOD Single : A 57 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.031) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.46 (180deg=0.249) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.812 3.665 17.051 1.00 0.00 N ATOM 2 CA MET A 1 13.627 4.087 15.638 1.00 0.00 C ATOM 3 C MET A 1 12.151 4.090 15.251 1.00 0.00 C ATOM 4 O MET A 1 11.724 4.861 14.392 1.00 0.00 O ATOM 5 CB MET A 1 14.412 3.131 14.735 1.00 0.00 C ATOM 6 CG MET A 1 13.839 1.722 14.688 1.00 0.00 C ATOM 7 SD MET A 1 15.106 0.448 14.847 1.00 0.00 S ATOM 8 CE MET A 1 15.201 -0.146 13.161 1.00 0.00 C ATOM 0 H1 MET A 1 14.658 4.125 17.443 1.00 0.00 H new ATOM 0 H2 MET A 1 12.978 3.941 17.608 1.00 0.00 H new ATOM 0 H3 MET A 1 13.929 2.632 17.092 1.00 0.00 H new ATOM 0 HA MET A 1 13.998 5.105 15.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.435 3.538 13.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.444 3.082 15.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.109 1.604 15.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.306 1.583 13.748 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.945 -0.940 13.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.229 -0.534 12.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.487 0.674 12.502 1.00 0.00 H new ATOM 20 N SER A 2 11.375 3.220 15.891 1.00 0.00 N ATOM 21 CA SER A 2 9.947 3.122 15.614 1.00 0.00 C ATOM 22 C SER A 2 9.216 4.383 16.066 1.00 0.00 C ATOM 23 O SER A 2 8.619 4.413 17.142 1.00 0.00 O ATOM 24 CB SER A 2 9.354 1.897 16.312 1.00 0.00 C ATOM 25 OG SER A 2 10.287 0.832 16.355 1.00 0.00 O ATOM 0 H SER A 2 11.712 2.573 16.604 1.00 0.00 H new ATOM 0 HA SER A 2 9.818 3.016 14.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.054 2.162 17.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.455 1.575 15.787 1.00 0.00 H new ATOM 0 HG SER A 2 9.884 0.062 16.808 1.00 0.00 H new ATOM 31 N GLU A 3 9.268 5.421 15.236 1.00 0.00 N ATOM 32 CA GLU A 3 8.609 6.683 15.549 1.00 0.00 C ATOM 33 C GLU A 3 8.805 7.690 14.409 1.00 0.00 C ATOM 34 O GLU A 3 8.094 7.636 13.406 1.00 0.00 O ATOM 35 CB GLU A 3 9.137 7.246 16.875 1.00 0.00 C ATOM 36 CG GLU A 3 8.616 8.637 17.202 1.00 0.00 C ATOM 37 CD GLU A 3 8.090 8.747 18.620 1.00 0.00 C ATOM 38 OE1 GLU A 3 7.249 7.909 19.008 1.00 0.00 O ATOM 39 OE2 GLU A 3 8.520 9.671 19.342 1.00 0.00 O ATOM 0 H GLU A 3 9.760 5.412 14.342 1.00 0.00 H new ATOM 0 HA GLU A 3 7.540 6.500 15.658 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.863 6.567 17.682 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.226 7.275 16.839 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.416 9.363 17.058 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.821 8.896 16.503 1.00 0.00 H new ATOM 46 N LYS A 4 9.768 8.602 14.560 1.00 0.00 N ATOM 47 CA LYS A 4 10.038 9.606 13.533 1.00 0.00 C ATOM 48 C LYS A 4 8.761 10.359 13.156 1.00 0.00 C ATOM 49 O LYS A 4 7.676 10.030 13.633 1.00 0.00 O ATOM 50 CB LYS A 4 10.643 8.943 12.291 1.00 0.00 C ATOM 51 CG LYS A 4 11.608 7.810 12.608 1.00 0.00 C ATOM 52 CD LYS A 4 12.943 8.340 13.114 1.00 0.00 C ATOM 53 CE LYS A 4 13.266 7.810 14.502 1.00 0.00 C ATOM 54 NZ LYS A 4 13.900 8.848 15.360 1.00 0.00 N ATOM 0 H LYS A 4 10.371 8.665 15.381 1.00 0.00 H new ATOM 0 HA LYS A 4 10.752 10.323 13.938 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.837 8.557 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.165 9.699 11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.167 7.154 13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 4 11.770 7.207 11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.735 8.054 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.918 9.429 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.351 7.456 14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.933 6.953 14.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.104 8.446 16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.786 9.168 14.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.253 9.656 15.463 1.00 0.00 H new ATOM 68 N PRO A 5 8.872 11.387 12.295 1.00 0.00 N ATOM 69 CA PRO A 5 7.717 12.180 11.861 1.00 0.00 C ATOM 70 C PRO A 5 6.701 11.343 11.087 1.00 0.00 C ATOM 71 O PRO A 5 6.573 11.471 9.869 1.00 0.00 O ATOM 72 CB PRO A 5 8.330 13.259 10.955 1.00 0.00 C ATOM 73 CG PRO A 5 9.784 13.267 11.283 1.00 0.00 C ATOM 74 CD PRO A 5 10.122 11.860 11.682 1.00 0.00 C ATOM 0 HA PRO A 5 7.166 12.589 12.708 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.165 13.029 9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.879 14.233 11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.377 13.583 10.424 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.998 13.965 12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.406 11.253 10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.955 11.828 12.385 1.00 0.00 H new ATOM 82 N LEU A 6 5.982 10.486 11.805 1.00 0.00 N ATOM 83 CA LEU A 6 4.976 9.624 11.193 1.00 0.00 C ATOM 84 C LEU A 6 5.606 8.684 10.169 1.00 0.00 C ATOM 85 O LEU A 6 5.601 8.963 8.970 1.00 0.00 O ATOM 86 CB LEU A 6 3.887 10.467 10.526 1.00 0.00 C ATOM 87 CG LEU A 6 2.923 11.157 11.492 1.00 0.00 C ATOM 88 CD1 LEU A 6 2.146 10.126 12.298 1.00 0.00 C ATOM 89 CD2 LEU A 6 3.679 12.099 12.416 1.00 0.00 C ATOM 0 H LEU A 6 6.078 10.370 12.814 1.00 0.00 H new ATOM 0 HA LEU A 6 4.528 9.021 11.982 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.364 11.227 9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.312 9.827 9.857 1.00 0.00 H new ATOM 0 HG LEU A 6 2.212 11.744 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.465 10.635 12.980 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.574 9.491 11.621 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.841 9.512 12.871 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.978 12.582 13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.412 11.534 12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.190 12.858 11.823 1.00 0.00 H new ATOM 101 N THR A 7 6.145 7.566 10.649 1.00 0.00 N ATOM 102 CA THR A 7 6.775 6.585 9.773 1.00 0.00 C ATOM 103 C THR A 7 5.737 5.631 9.190 1.00 0.00 C ATOM 104 O THR A 7 4.547 5.739 9.480 1.00 0.00 O ATOM 105 CB THR A 7 7.840 5.792 10.534 1.00 0.00 C ATOM 106 OG1 THR A 7 7.459 5.604 11.887 1.00 0.00 O ATOM 107 CG2 THR A 7 9.201 6.455 10.523 1.00 0.00 C ATOM 0 H THR A 7 6.158 7.318 11.638 1.00 0.00 H new ATOM 0 HA THR A 7 7.252 7.124 8.954 1.00 0.00 H new ATOM 0 HB THR A 7 7.916 4.838 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.789 6.352 12.427 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.909 5.841 11.080 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.545 6.563 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.130 7.439 10.987 1.00 0.00 H new ATOM 115 N LYS A 8 6.200 4.694 8.366 1.00 0.00 N ATOM 116 CA LYS A 8 5.314 3.716 7.738 1.00 0.00 C ATOM 117 C LYS A 8 4.436 3.022 8.775 1.00 0.00 C ATOM 118 O LYS A 8 3.298 2.652 8.491 1.00 0.00 O ATOM 119 CB LYS A 8 6.132 2.675 6.969 1.00 0.00 C ATOM 120 CG LYS A 8 7.387 2.222 7.698 1.00 0.00 C ATOM 121 CD LYS A 8 8.640 2.828 7.085 1.00 0.00 C ATOM 122 CE LYS A 8 9.585 3.361 8.152 1.00 0.00 C ATOM 123 NZ LYS A 8 10.722 2.433 8.400 1.00 0.00 N ATOM 0 H LYS A 8 7.184 4.591 8.117 1.00 0.00 H new ATOM 0 HA LYS A 8 4.666 4.250 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.504 1.806 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.415 3.091 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.321 2.506 8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.455 1.135 7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.153 2.075 6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.361 3.636 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.970 4.333 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.034 3.517 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.342 2.832 9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.356 1.513 8.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.263 2.304 7.521 1.00 0.00 H new ATOM 137 N THR A 9 4.974 2.848 9.978 1.00 0.00 N ATOM 138 CA THR A 9 4.239 2.199 11.057 1.00 0.00 C ATOM 139 C THR A 9 3.253 3.165 11.706 1.00 0.00 C ATOM 140 O THR A 9 2.160 2.772 12.112 1.00 0.00 O ATOM 141 CB THR A 9 5.209 1.659 12.108 1.00 0.00 C ATOM 142 OG1 THR A 9 6.379 2.456 12.169 1.00 0.00 O ATOM 143 CG2 THR A 9 5.641 0.231 11.846 1.00 0.00 C ATOM 0 H THR A 9 5.916 3.147 10.230 1.00 0.00 H new ATOM 0 HA THR A 9 3.676 1.369 10.630 1.00 0.00 H new ATOM 0 HB THR A 9 4.660 1.690 13.049 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.986 2.095 12.848 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.328 -0.091 12.628 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.766 -0.419 11.842 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.140 0.173 10.879 1.00 0.00 H new ATOM 151 N ASP A 10 3.647 4.431 11.803 1.00 0.00 N ATOM 152 CA ASP A 10 2.798 5.453 12.407 1.00 0.00 C ATOM 153 C ASP A 10 1.469 5.573 11.666 1.00 0.00 C ATOM 154 O ASP A 10 0.402 5.547 12.279 1.00 0.00 O ATOM 155 CB ASP A 10 3.515 6.803 12.410 1.00 0.00 C ATOM 156 CG ASP A 10 4.517 6.924 13.542 1.00 0.00 C ATOM 157 OD1 ASP A 10 5.271 5.955 13.772 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.546 7.986 14.199 1.00 0.00 O ATOM 0 H ASP A 10 4.549 4.774 11.471 1.00 0.00 H new ATOM 0 HA ASP A 10 2.592 5.154 13.435 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.028 6.941 11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.778 7.602 12.494 1.00 0.00 H new ATOM 163 N TYR A 11 1.541 5.704 10.345 1.00 0.00 N ATOM 164 CA TYR A 11 0.341 5.828 9.525 1.00 0.00 C ATOM 165 C TYR A 11 -0.431 4.514 9.492 1.00 0.00 C ATOM 166 O TYR A 11 -1.632 4.481 9.761 1.00 0.00 O ATOM 167 CB TYR A 11 0.713 6.251 8.103 1.00 0.00 C ATOM 168 CG TYR A 11 0.423 7.705 7.805 1.00 0.00 C ATOM 169 CD1 TYR A 11 0.708 8.695 8.738 1.00 0.00 C ATOM 170 CD2 TYR A 11 -0.135 8.087 6.592 1.00 0.00 C ATOM 171 CE1 TYR A 11 0.445 10.025 8.469 1.00 0.00 C ATOM 172 CE2 TYR A 11 -0.402 9.414 6.316 1.00 0.00 C ATOM 173 CZ TYR A 11 -0.110 10.378 7.257 1.00 0.00 C ATOM 174 OH TYR A 11 -0.375 11.702 6.986 1.00 0.00 O ATOM 0 H TYR A 11 2.416 5.727 9.821 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.297 6.592 9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.774 6.061 7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.168 5.628 7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.142 8.421 9.688 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.364 7.334 5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.673 10.783 9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.837 9.695 5.368 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.764 11.781 6.090 1.00 0.00 H new ATOM 184 N LEU A 12 0.266 3.433 9.158 1.00 0.00 N ATOM 185 CA LEU A 12 -0.354 2.114 9.087 1.00 0.00 C ATOM 186 C LEU A 12 -1.027 1.750 10.408 1.00 0.00 C ATOM 187 O LEU A 12 -2.118 1.181 10.425 1.00 0.00 O ATOM 188 CB LEU A 12 0.689 1.055 8.724 1.00 0.00 C ATOM 189 CG LEU A 12 0.119 -0.239 8.139 1.00 0.00 C ATOM 190 CD1 LEU A 12 1.219 -1.056 7.478 1.00 0.00 C ATOM 191 CD2 LEU A 12 -0.576 -1.051 9.221 1.00 0.00 C ATOM 0 H LEU A 12 1.261 3.444 8.932 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.118 2.145 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.387 1.485 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.263 0.810 9.618 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.618 0.021 7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.795 -1.973 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.672 -0.474 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.980 -1.307 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.976 -1.968 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.140 -1.302 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.391 -0.466 9.648 1.00 0.00 H new ATOM 203 N MET A 13 -0.368 2.080 11.515 1.00 0.00 N ATOM 204 CA MET A 13 -0.904 1.785 12.838 1.00 0.00 C ATOM 205 C MET A 13 -2.161 2.605 13.112 1.00 0.00 C ATOM 206 O MET A 13 -3.146 2.093 13.643 1.00 0.00 O ATOM 207 CB MET A 13 0.147 2.068 13.914 1.00 0.00 C ATOM 208 CG MET A 13 1.236 1.011 13.993 1.00 0.00 C ATOM 209 SD MET A 13 0.902 -0.237 15.250 1.00 0.00 S ATOM 210 CE MET A 13 -0.627 -0.936 14.635 1.00 0.00 C ATOM 0 H MET A 13 0.537 2.551 11.521 1.00 0.00 H new ATOM 0 HA MET A 13 -1.168 0.728 12.867 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.606 3.037 13.716 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.347 2.142 14.883 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.337 0.526 13.022 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.190 1.493 14.209 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.888 -1.815 15.224 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.423 -0.196 14.715 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.502 -1.223 13.591 1.00 0.00 H new ATOM 220 N ARG A 14 -2.119 3.882 12.745 1.00 0.00 N ATOM 221 CA ARG A 14 -3.254 4.775 12.951 1.00 0.00 C ATOM 222 C ARG A 14 -4.349 4.513 11.920 1.00 0.00 C ATOM 223 O ARG A 14 -5.529 4.750 12.182 1.00 0.00 O ATOM 224 CB ARG A 14 -2.802 6.234 12.873 1.00 0.00 C ATOM 225 CG ARG A 14 -2.257 6.773 14.185 1.00 0.00 C ATOM 226 CD ARG A 14 -2.083 8.282 14.138 1.00 0.00 C ATOM 227 NE ARG A 14 -1.118 8.754 15.128 1.00 0.00 N ATOM 228 CZ ARG A 14 -0.559 9.962 15.101 1.00 0.00 C ATOM 229 NH1 ARG A 14 -0.866 10.821 14.137 1.00 0.00 N ATOM 230 NH2 ARG A 14 0.308 10.313 16.041 1.00 0.00 N ATOM 0 H ARG A 14 -1.311 4.322 12.304 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.661 4.580 13.943 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.034 6.327 12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.644 6.850 12.559 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.934 6.509 14.997 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.299 6.302 14.403 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.754 8.578 13.142 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.045 8.763 14.312 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.857 8.121 15.884 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.533 10.557 13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.435 11.745 14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.547 9.657 16.785 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.736 11.239 16.020 1.00 0.00 H new ATOM 244 N LEU A 15 -3.951 4.025 10.750 1.00 0.00 N ATOM 245 CA LEU A 15 -4.899 3.732 9.680 1.00 0.00 C ATOM 246 C LEU A 15 -5.932 2.706 10.134 1.00 0.00 C ATOM 247 O LEU A 15 -7.124 2.844 9.856 1.00 0.00 O ATOM 248 CB LEU A 15 -4.158 3.220 8.441 1.00 0.00 C ATOM 249 CG LEU A 15 -4.171 4.168 7.241 1.00 0.00 C ATOM 250 CD1 LEU A 15 -2.924 3.975 6.394 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.423 3.951 6.406 1.00 0.00 C ATOM 0 H LEU A 15 -2.978 3.824 10.518 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.421 4.655 9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.122 3.018 8.714 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.599 2.270 8.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.177 5.193 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.951 4.658 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.039 4.181 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.886 2.948 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.416 4.634 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.446 2.923 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.305 4.141 7.017 1.00 0.00 H new ATOM 263 N ARG A 16 -5.468 1.677 10.835 1.00 0.00 N ATOM 264 CA ARG A 16 -6.351 0.627 11.330 1.00 0.00 C ATOM 265 C ARG A 16 -7.263 1.154 12.436 1.00 0.00 C ATOM 266 O ARG A 16 -8.322 0.585 12.703 1.00 0.00 O ATOM 267 CB ARG A 16 -5.531 -0.556 11.847 1.00 0.00 C ATOM 268 CG ARG A 16 -4.508 -0.170 12.903 1.00 0.00 C ATOM 269 CD ARG A 16 -4.027 -1.383 13.683 1.00 0.00 C ATOM 270 NE ARG A 16 -3.914 -1.103 15.113 1.00 0.00 N ATOM 271 CZ ARG A 16 -3.852 -2.046 16.050 1.00 0.00 C ATOM 272 NH1 ARG A 16 -3.892 -3.329 15.714 1.00 0.00 N ATOM 273 NH2 ARG A 16 -3.752 -1.705 17.327 1.00 0.00 N ATOM 0 H ARG A 16 -4.485 1.548 11.073 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.975 0.293 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.208 -1.302 12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.016 -1.025 11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.658 0.318 12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.947 0.554 13.589 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.719 -2.211 13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.058 -1.701 13.298 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.881 -0.128 15.410 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.971 -3.597 14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.844 -4.047 16.437 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.723 -0.720 17.591 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.704 -2.427 18.046 1.00 0.00 H new ATOM 287 N ARG A 17 -6.845 2.242 13.079 1.00 0.00 N ATOM 288 CA ARG A 17 -7.625 2.843 14.155 1.00 0.00 C ATOM 289 C ARG A 17 -9.037 3.190 13.689 1.00 0.00 C ATOM 290 O ARG A 17 -9.956 3.310 14.499 1.00 0.00 O ATOM 291 CB ARG A 17 -6.924 4.101 14.676 1.00 0.00 C ATOM 292 CG ARG A 17 -6.884 4.193 16.193 1.00 0.00 C ATOM 293 CD ARG A 17 -5.770 5.113 16.665 1.00 0.00 C ATOM 294 NE ARG A 17 -6.071 5.718 17.960 1.00 0.00 N ATOM 295 CZ ARG A 17 -5.272 6.586 18.577 1.00 0.00 C ATOM 296 NH1 ARG A 17 -4.125 6.954 18.020 1.00 0.00 N ATOM 297 NH2 ARG A 17 -5.622 7.090 19.753 1.00 0.00 N ATOM 0 H ARG A 17 -5.970 2.724 12.873 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.703 2.113 14.961 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.904 4.123 14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.433 4.980 14.281 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.842 4.560 16.562 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.740 3.199 16.615 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.840 4.549 16.736 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.611 5.898 15.926 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.945 5.460 18.419 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.852 6.572 17.115 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.517 7.619 18.497 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.503 6.813 20.185 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.010 7.755 20.225 1.00 0.00 H new ATOM 311 N CYS A 18 -9.205 3.352 12.378 1.00 0.00 N ATOM 312 CA CYS A 18 -10.506 3.689 11.805 1.00 0.00 C ATOM 313 C CYS A 18 -11.598 2.760 12.332 1.00 0.00 C ATOM 314 O CYS A 18 -11.315 1.785 13.026 1.00 0.00 O ATOM 315 CB CYS A 18 -10.450 3.609 10.278 1.00 0.00 C ATOM 316 SG CYS A 18 -10.166 1.943 9.635 1.00 0.00 S ATOM 0 H CYS A 18 -8.456 3.255 11.692 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.749 4.709 12.103 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -11.387 3.989 9.871 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.657 4.265 9.919 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.889 1.740 9.505 1.00 0.00 H new ATOM 322 N GLN A 19 -12.845 3.073 11.995 1.00 0.00 N ATOM 323 CA GLN A 19 -13.978 2.268 12.432 1.00 0.00 C ATOM 324 C GLN A 19 -14.476 1.372 11.302 1.00 0.00 C ATOM 325 O GLN A 19 -14.912 0.245 11.534 1.00 0.00 O ATOM 326 CB GLN A 19 -15.112 3.169 12.926 1.00 0.00 C ATOM 327 CG GLN A 19 -15.793 2.656 14.183 1.00 0.00 C ATOM 328 CD GLN A 19 -15.190 3.233 15.449 1.00 0.00 C ATOM 329 OE1 GLN A 19 -15.816 4.042 16.134 1.00 0.00 O ATOM 330 NE2 GLN A 19 -13.969 2.819 15.766 1.00 0.00 N ATOM 0 H GLN A 19 -13.096 3.878 11.421 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.646 1.634 13.254 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.715 4.166 13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.856 3.270 12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.854 2.904 14.144 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.721 1.569 14.213 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.487 2.147 15.169 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.513 3.173 16.607 1.00 0.00 H new ATOM 339 N THR A 20 -14.408 1.883 10.077 1.00 0.00 N ATOM 340 CA THR A 20 -14.851 1.129 8.910 1.00 0.00 C ATOM 341 C THR A 20 -14.055 1.529 7.669 1.00 0.00 C ATOM 342 O THR A 20 -13.448 2.599 7.626 1.00 0.00 O ATOM 343 CB THR A 20 -16.347 1.348 8.673 1.00 0.00 C ATOM 344 OG1 THR A 20 -16.830 0.474 7.670 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.691 2.762 8.255 1.00 0.00 C ATOM 0 H THR A 20 -14.051 2.815 9.867 1.00 0.00 H new ATOM 0 HA THR A 20 -14.676 0.070 9.102 1.00 0.00 H new ATOM 0 HB THR A 20 -16.821 1.147 9.634 1.00 0.00 H new ATOM 0 HG1 THR A 20 -17.788 0.629 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.767 2.845 8.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.379 3.458 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 -16.175 3.002 7.326 1.00 0.00 H new ATOM 353 N ILE A 21 -14.057 0.658 6.666 1.00 0.00 N ATOM 354 CA ILE A 21 -13.333 0.913 5.426 1.00 0.00 C ATOM 355 C ILE A 21 -14.046 1.952 4.562 1.00 0.00 C ATOM 356 O ILE A 21 -13.405 2.795 3.935 1.00 0.00 O ATOM 357 CB ILE A 21 -13.156 -0.383 4.609 1.00 0.00 C ATOM 358 CG1 ILE A 21 -12.480 -1.462 5.458 1.00 0.00 C ATOM 359 CG2 ILE A 21 -12.351 -0.113 3.347 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.163 -1.024 6.060 1.00 0.00 C ATOM 0 H ILE A 21 -14.553 -0.233 6.688 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.354 1.300 5.709 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.142 -0.743 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.156 -1.757 6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -12.312 -2.345 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.236 -1.039 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.871 0.623 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.367 0.271 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.743 -1.840 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.470 -0.756 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.327 -0.160 6.704 1.00 0.00 H new ATOM 372 N ASP A 22 -15.371 1.878 4.524 1.00 0.00 N ATOM 373 CA ASP A 22 -16.172 2.803 3.727 1.00 0.00 C ATOM 374 C ASP A 22 -15.849 4.258 4.059 1.00 0.00 C ATOM 375 O ASP A 22 -15.587 5.063 3.167 1.00 0.00 O ATOM 376 CB ASP A 22 -17.663 2.537 3.948 1.00 0.00 C ATOM 377 CG ASP A 22 -18.246 1.605 2.904 1.00 0.00 C ATOM 378 OD1 ASP A 22 -18.335 2.015 1.727 1.00 0.00 O ATOM 379 OD2 ASP A 22 -18.614 0.467 3.263 1.00 0.00 O ATOM 0 H ASP A 22 -15.916 1.185 5.037 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.925 2.635 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.809 2.105 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.204 3.483 3.929 1.00 0.00 H new ATOM 384 N THR A 23 -15.872 4.592 5.346 1.00 0.00 N ATOM 385 CA THR A 23 -15.583 5.952 5.783 1.00 0.00 C ATOM 386 C THR A 23 -14.100 6.274 5.599 1.00 0.00 C ATOM 387 O THR A 23 -13.729 7.428 5.386 1.00 0.00 O ATOM 388 CB THR A 23 -16.010 6.134 7.247 1.00 0.00 C ATOM 389 OG1 THR A 23 -17.313 6.686 7.320 1.00 0.00 O ATOM 390 CG2 THR A 23 -15.092 7.031 8.053 1.00 0.00 C ATOM 0 H THR A 23 -16.087 3.941 6.101 1.00 0.00 H new ATOM 0 HA THR A 23 -16.153 6.649 5.168 1.00 0.00 H new ATOM 0 HB THR A 23 -15.968 5.133 7.676 1.00 0.00 H new ATOM 0 HG1 THR A 23 -17.570 6.794 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.463 7.107 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.087 6.609 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.064 8.023 7.602 1.00 0.00 H new ATOM 398 N LEU A 24 -13.259 5.249 5.680 1.00 0.00 N ATOM 399 CA LEU A 24 -11.822 5.432 5.519 1.00 0.00 C ATOM 400 C LEU A 24 -11.467 5.660 4.055 1.00 0.00 C ATOM 401 O LEU A 24 -10.568 6.437 3.743 1.00 0.00 O ATOM 402 CB LEU A 24 -11.061 4.218 6.055 1.00 0.00 C ATOM 403 CG LEU A 24 -9.566 4.446 6.300 1.00 0.00 C ATOM 404 CD1 LEU A 24 -8.953 3.253 7.019 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.842 4.709 4.985 1.00 0.00 C ATOM 0 H LEU A 24 -13.546 4.286 5.856 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.530 6.312 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.523 3.903 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.177 3.395 5.349 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.453 5.324 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.891 3.434 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.450 3.112 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.078 2.358 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.781 4.869 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.965 3.851 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.261 5.596 4.510 1.00 0.00 H new ATOM 417 N GLU A 25 -12.177 4.986 3.157 1.00 0.00 N ATOM 418 CA GLU A 25 -11.919 5.129 1.730 1.00 0.00 C ATOM 419 C GLU A 25 -12.057 6.589 1.314 1.00 0.00 C ATOM 420 O GLU A 25 -11.353 7.065 0.421 1.00 0.00 O ATOM 421 CB GLU A 25 -12.884 4.260 0.921 1.00 0.00 C ATOM 422 CG GLU A 25 -12.405 3.968 -0.492 1.00 0.00 C ATOM 423 CD GLU A 25 -12.988 4.922 -1.514 1.00 0.00 C ATOM 424 OE1 GLU A 25 -14.094 5.450 -1.272 1.00 0.00 O ATOM 425 OE2 GLU A 25 -12.339 5.144 -2.558 1.00 0.00 O ATOM 0 H GLU A 25 -12.931 4.339 3.390 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.900 4.798 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.037 3.317 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.853 4.758 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.317 4.029 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.675 2.946 -0.759 1.00 0.00 H new ATOM 432 N ARG A 26 -12.956 7.299 1.985 1.00 0.00 N ATOM 433 CA ARG A 26 -13.176 8.709 1.704 1.00 0.00 C ATOM 434 C ARG A 26 -11.925 9.513 2.036 1.00 0.00 C ATOM 435 O ARG A 26 -11.615 10.503 1.372 1.00 0.00 O ATOM 436 CB ARG A 26 -14.369 9.231 2.508 1.00 0.00 C ATOM 437 CG ARG A 26 -14.632 10.716 2.317 1.00 0.00 C ATOM 438 CD ARG A 26 -15.731 11.210 3.242 1.00 0.00 C ATOM 439 NE ARG A 26 -16.553 12.243 2.615 1.00 0.00 N ATOM 440 CZ ARG A 26 -16.176 13.513 2.487 1.00 0.00 C ATOM 441 NH1 ARG A 26 -14.991 13.910 2.935 1.00 0.00 N ATOM 442 NH2 ARG A 26 -16.985 14.389 1.907 1.00 0.00 N ATOM 0 H ARG A 26 -13.544 6.920 2.727 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.395 8.823 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.261 8.673 2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.196 9.035 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.716 11.276 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.914 10.907 1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.363 10.371 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.286 11.606 4.155 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.469 11.975 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.364 13.240 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.708 14.885 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.896 14.089 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.696 15.362 1.809 1.00 0.00 H new ATOM 456 N VAL A 27 -11.204 9.080 3.068 1.00 0.00 N ATOM 457 CA VAL A 27 -9.987 9.765 3.478 1.00 0.00 C ATOM 458 C VAL A 27 -8.804 9.359 2.604 1.00 0.00 C ATOM 459 O VAL A 27 -7.861 10.128 2.430 1.00 0.00 O ATOM 460 CB VAL A 27 -9.656 9.527 4.969 1.00 0.00 C ATOM 461 CG1 VAL A 27 -9.145 8.115 5.221 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.646 10.556 5.451 1.00 0.00 C ATOM 0 H VAL A 27 -11.442 8.263 3.630 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.171 10.831 3.346 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.580 9.641 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.925 7.992 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.906 7.394 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.238 7.947 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.420 10.379 6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.732 10.471 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.061 11.557 5.333 1.00 0.00 H new ATOM 472 N ILE A 28 -8.863 8.152 2.043 1.00 0.00 N ATOM 473 CA ILE A 28 -7.793 7.669 1.177 1.00 0.00 C ATOM 474 C ILE A 28 -7.611 8.605 -0.011 1.00 0.00 C ATOM 475 O ILE A 28 -6.489 8.894 -0.423 1.00 0.00 O ATOM 476 CB ILE A 28 -8.074 6.245 0.651 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.384 5.295 1.810 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.889 5.733 -0.158 1.00 0.00 C ATOM 479 CD1 ILE A 28 -8.590 3.858 1.379 1.00 0.00 C ATOM 0 H ILE A 28 -9.634 7.497 2.172 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.884 7.643 1.778 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.946 6.285 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.567 5.336 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.280 5.643 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.104 4.728 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.714 6.396 -1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.001 5.709 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.805 3.243 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.426 3.804 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.687 3.491 0.891 1.00 0.00 H new ATOM 491 N GLU A 29 -8.729 9.077 -0.552 1.00 0.00 N ATOM 492 CA GLU A 29 -8.701 9.985 -1.692 1.00 0.00 C ATOM 493 C GLU A 29 -8.276 11.386 -1.260 1.00 0.00 C ATOM 494 O GLU A 29 -7.497 12.048 -1.948 1.00 0.00 O ATOM 495 CB GLU A 29 -10.076 10.038 -2.361 1.00 0.00 C ATOM 496 CG GLU A 29 -10.214 9.092 -3.542 1.00 0.00 C ATOM 497 CD GLU A 29 -11.446 9.375 -4.377 1.00 0.00 C ATOM 498 OE1 GLU A 29 -11.545 10.491 -4.929 1.00 0.00 O ATOM 499 OE2 GLU A 29 -12.312 8.481 -4.480 1.00 0.00 O ATOM 0 H GLU A 29 -9.665 8.846 -0.219 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.971 9.609 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.840 9.797 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.268 11.057 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.328 9.171 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.255 8.066 -3.177 1.00 0.00 H new ATOM 506 N LYS A 30 -8.795 11.835 -0.120 1.00 0.00 N ATOM 507 CA LYS A 30 -8.471 13.159 0.398 1.00 0.00 C ATOM 508 C LYS A 30 -7.014 13.234 0.854 1.00 0.00 C ATOM 509 O LYS A 30 -6.297 14.176 0.515 1.00 0.00 O ATOM 510 CB LYS A 30 -9.400 13.514 1.561 1.00 0.00 C ATOM 511 CG LYS A 30 -9.871 14.959 1.546 1.00 0.00 C ATOM 512 CD LYS A 30 -11.267 15.095 2.132 1.00 0.00 C ATOM 513 CE LYS A 30 -11.221 15.356 3.629 1.00 0.00 C ATOM 514 NZ LYS A 30 -12.579 15.579 4.197 1.00 0.00 N ATOM 0 H LYS A 30 -9.441 11.301 0.461 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.613 13.878 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.269 12.857 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.883 13.319 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.175 15.576 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.867 15.334 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.793 15.911 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.834 14.185 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.753 14.509 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.598 16.228 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.501 16.119 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.157 16.112 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.029 14.662 4.390 1.00 0.00 H new ATOM 528 N ASN A 31 -6.584 12.240 1.625 1.00 0.00 N ATOM 529 CA ASN A 31 -5.214 12.201 2.127 1.00 0.00 C ATOM 530 C ASN A 31 -4.217 12.022 0.987 1.00 0.00 C ATOM 531 O ASN A 31 -3.089 12.512 1.054 1.00 0.00 O ATOM 532 CB ASN A 31 -5.051 11.068 3.144 1.00 0.00 C ATOM 533 CG ASN A 31 -5.310 11.526 4.566 1.00 0.00 C ATOM 534 OD1 ASN A 31 -6.282 12.230 4.838 1.00 0.00 O ATOM 535 ND2 ASN A 31 -4.435 11.129 5.484 1.00 0.00 N ATOM 0 H ASN A 31 -7.163 11.452 1.916 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.010 13.153 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.737 10.259 2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.042 10.663 3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.556 11.408 6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.643 10.546 5.215 1.00 0.00 H new ATOM 542 N LYS A 32 -4.637 11.316 -0.056 1.00 0.00 N ATOM 543 CA LYS A 32 -3.779 11.069 -1.210 1.00 0.00 C ATOM 544 C LYS A 32 -3.341 12.379 -1.861 1.00 0.00 C ATOM 545 O LYS A 32 -2.161 12.573 -2.151 1.00 0.00 O ATOM 546 CB LYS A 32 -4.506 10.193 -2.233 1.00 0.00 C ATOM 547 CG LYS A 32 -4.060 8.739 -2.213 1.00 0.00 C ATOM 548 CD LYS A 32 -3.917 8.179 -3.620 1.00 0.00 C ATOM 549 CE LYS A 32 -5.140 7.375 -4.028 1.00 0.00 C ATOM 550 NZ LYS A 32 -5.352 7.393 -5.502 1.00 0.00 N ATOM 0 H LYS A 32 -5.567 10.904 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.888 10.547 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.578 10.239 -2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.343 10.601 -3.230 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.108 8.657 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.783 8.144 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.767 8.997 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.031 7.547 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.026 6.345 -3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.022 7.778 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.196 6.833 -5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.486 8.374 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.522 6.985 -5.977 1.00 0.00 H new ATOM 564 N TYR A 33 -4.298 13.271 -2.095 1.00 0.00 N ATOM 565 CA TYR A 33 -4.006 14.557 -2.719 1.00 0.00 C ATOM 566 C TYR A 33 -3.605 15.611 -1.686 1.00 0.00 C ATOM 567 O TYR A 33 -3.283 16.744 -2.041 1.00 0.00 O ATOM 568 CB TYR A 33 -5.219 15.044 -3.517 1.00 0.00 C ATOM 569 CG TYR A 33 -4.947 15.195 -4.997 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.031 16.131 -5.463 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.607 14.402 -5.928 1.00 0.00 C ATOM 572 CE1 TYR A 33 -3.780 16.271 -6.814 1.00 0.00 C ATOM 573 CE2 TYR A 33 -5.360 14.537 -7.281 1.00 0.00 C ATOM 574 CZ TYR A 33 -4.446 15.471 -7.719 1.00 0.00 C ATOM 575 OH TYR A 33 -4.198 15.608 -9.066 1.00 0.00 O ATOM 0 H TYR A 33 -5.281 13.128 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.161 14.412 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.042 14.343 -3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.546 16.003 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.507 16.759 -4.757 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.324 13.669 -5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.066 17.003 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.881 13.913 -7.992 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.748 14.970 -9.566 1.00 0.00 H new ATOM 585 N GLU A 34 -3.626 15.239 -0.408 1.00 0.00 N ATOM 586 CA GLU A 34 -3.263 16.166 0.659 1.00 0.00 C ATOM 587 C GLU A 34 -1.746 16.290 0.782 1.00 0.00 C ATOM 588 O GLU A 34 -1.156 17.270 0.329 1.00 0.00 O ATOM 589 CB GLU A 34 -3.861 15.709 1.990 1.00 0.00 C ATOM 590 CG GLU A 34 -5.160 16.415 2.346 1.00 0.00 C ATOM 591 CD GLU A 34 -5.331 16.601 3.840 1.00 0.00 C ATOM 592 OE1 GLU A 34 -4.825 17.611 4.373 1.00 0.00 O ATOM 593 OE2 GLU A 34 -5.972 15.739 4.477 1.00 0.00 O ATOM 0 H GLU A 34 -3.889 14.307 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.669 17.146 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.040 14.635 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.134 15.881 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.186 17.389 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.000 15.840 1.957 1.00 0.00 H new ATOM 600 N LEU A 35 -1.123 15.292 1.404 1.00 0.00 N ATOM 601 CA LEU A 35 0.325 15.295 1.588 1.00 0.00 C ATOM 602 C LEU A 35 1.059 15.368 0.255 1.00 0.00 C ATOM 603 O LEU A 35 0.507 15.808 -0.754 1.00 0.00 O ATOM 604 CB LEU A 35 0.784 14.054 2.371 1.00 0.00 C ATOM 605 CG LEU A 35 0.810 12.709 1.613 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.327 11.590 2.514 1.00 0.00 C ATOM 607 CD2 LEU A 35 -0.032 12.731 0.348 1.00 0.00 C ATOM 0 H LEU A 35 -1.596 14.474 1.788 1.00 0.00 H new ATOM 0 HA LEU A 35 0.573 16.187 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.787 14.247 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.132 13.941 3.237 1.00 0.00 H new ATOM 0 HG LEU A 35 1.845 12.538 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.350 10.647 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.976 11.520 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.693 11.797 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.024 11.760 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.069 12.949 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.344 13.501 -0.326 1.00 0.00 H new ATOM 619 N SER A 36 2.307 14.922 0.265 1.00 0.00 N ATOM 620 CA SER A 36 3.131 14.916 -0.933 1.00 0.00 C ATOM 621 C SER A 36 3.541 13.493 -1.285 1.00 0.00 C ATOM 622 O SER A 36 3.159 12.542 -0.604 1.00 0.00 O ATOM 623 CB SER A 36 4.374 15.783 -0.728 1.00 0.00 C ATOM 624 OG SER A 36 4.018 17.117 -0.405 1.00 0.00 O ATOM 0 H SER A 36 2.773 14.557 1.096 1.00 0.00 H new ATOM 0 HA SER A 36 2.547 15.328 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.986 15.363 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.981 15.774 -1.633 1.00 0.00 H new ATOM 0 HG SER A 36 4.830 17.650 -0.277 1.00 0.00 H new ATOM 630 N ASP A 37 4.329 13.352 -2.341 1.00 0.00 N ATOM 631 CA ASP A 37 4.798 12.041 -2.764 1.00 0.00 C ATOM 632 C ASP A 37 5.623 11.385 -1.659 1.00 0.00 C ATOM 633 O ASP A 37 5.732 10.160 -1.596 1.00 0.00 O ATOM 634 CB ASP A 37 5.634 12.160 -4.039 1.00 0.00 C ATOM 635 CG ASP A 37 5.860 10.820 -4.710 1.00 0.00 C ATOM 636 OD1 ASP A 37 6.750 10.070 -4.254 1.00 0.00 O ATOM 637 OD2 ASP A 37 5.148 10.519 -5.690 1.00 0.00 O ATOM 0 H ASP A 37 4.656 14.126 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 37 3.929 11.417 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.134 12.832 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.597 12.609 -3.798 1.00 0.00 H new ATOM 642 N ASN A 38 6.213 12.211 -0.796 1.00 0.00 N ATOM 643 CA ASN A 38 7.039 11.709 0.297 1.00 0.00 C ATOM 644 C ASN A 38 6.196 11.085 1.404 1.00 0.00 C ATOM 645 O ASN A 38 6.494 9.984 1.869 1.00 0.00 O ATOM 646 CB ASN A 38 7.897 12.838 0.873 1.00 0.00 C ATOM 647 CG ASN A 38 9.206 12.332 1.447 1.00 0.00 C ATOM 648 OD1 ASN A 38 10.210 12.231 0.742 1.00 0.00 O ATOM 649 ND2 ASN A 38 9.200 12.008 2.735 1.00 0.00 N ATOM 0 H ASN A 38 6.134 13.227 -0.834 1.00 0.00 H new ATOM 0 HA ASN A 38 7.685 10.931 -0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.104 13.569 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.337 13.355 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.051 11.660 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.345 12.108 3.282 1.00 0.00 H new ATOM 656 N GLU A 39 5.145 11.779 1.826 1.00 0.00 N ATOM 657 CA GLU A 39 4.277 11.271 2.873 1.00 0.00 C ATOM 658 C GLU A 39 3.317 10.234 2.302 1.00 0.00 C ATOM 659 O GLU A 39 2.961 9.263 2.971 1.00 0.00 O ATOM 660 CB GLU A 39 3.510 12.433 3.507 1.00 0.00 C ATOM 661 CG GLU A 39 2.430 12.013 4.490 1.00 0.00 C ATOM 662 CD GLU A 39 2.878 12.130 5.934 1.00 0.00 C ATOM 663 OE1 GLU A 39 3.607 13.091 6.254 1.00 0.00 O ATOM 664 OE2 GLU A 39 2.498 11.259 6.745 1.00 0.00 O ATOM 0 H GLU A 39 4.877 12.692 1.458 1.00 0.00 H new ATOM 0 HA GLU A 39 4.879 10.787 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.219 13.082 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.052 13.025 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.545 12.630 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.139 10.982 4.286 1.00 0.00 H new ATOM 671 N LEU A 40 2.896 10.457 1.061 1.00 0.00 N ATOM 672 CA LEU A 40 1.968 9.556 0.387 1.00 0.00 C ATOM 673 C LEU A 40 2.524 8.144 0.313 1.00 0.00 C ATOM 674 O LEU A 40 1.775 7.173 0.408 1.00 0.00 O ATOM 675 CB LEU A 40 1.660 10.072 -1.013 1.00 0.00 C ATOM 676 CG LEU A 40 0.659 9.237 -1.810 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.251 10.139 -2.631 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.386 8.250 -2.711 1.00 0.00 C ATOM 0 H LEU A 40 3.185 11.258 0.500 1.00 0.00 H new ATOM 0 HA LEU A 40 1.047 9.525 0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.277 11.089 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.592 10.127 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 40 0.044 8.673 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.958 9.528 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.797 10.807 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.350 10.728 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.657 7.664 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.025 8.794 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.997 7.584 -2.102 1.00 0.00 H new ATOM 690 N ALA A 41 3.838 8.024 0.156 1.00 0.00 N ATOM 691 CA ALA A 41 4.463 6.711 0.093 1.00 0.00 C ATOM 692 C ALA A 41 4.098 5.919 1.339 1.00 0.00 C ATOM 693 O ALA A 41 3.905 4.705 1.291 1.00 0.00 O ATOM 694 CB ALA A 41 5.973 6.841 -0.041 1.00 0.00 C ATOM 0 H ALA A 41 4.483 8.810 0.071 1.00 0.00 H new ATOM 0 HA ALA A 41 4.096 6.181 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.421 5.848 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.212 7.389 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.370 7.379 0.820 1.00 0.00 H new ATOM 700 N VAL A 42 3.978 6.637 2.451 1.00 0.00 N ATOM 701 CA VAL A 42 3.606 6.036 3.719 1.00 0.00 C ATOM 702 C VAL A 42 2.107 5.750 3.751 1.00 0.00 C ATOM 703 O VAL A 42 1.664 4.779 4.364 1.00 0.00 O ATOM 704 CB VAL A 42 3.974 6.956 4.901 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.579 6.328 6.231 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.461 7.282 4.878 1.00 0.00 C ATOM 0 H VAL A 42 4.135 7.644 2.495 1.00 0.00 H new ATOM 0 HA VAL A 42 4.159 5.102 3.817 1.00 0.00 H new ATOM 0 HB VAL A 42 3.414 7.885 4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.851 6.999 7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.503 6.156 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.100 5.379 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.704 7.932 5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.037 6.360 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.708 7.788 3.945 1.00 0.00 H new ATOM 716 N PHE A 43 1.326 6.609 3.090 1.00 0.00 N ATOM 717 CA PHE A 43 -0.123 6.446 3.053 1.00 0.00 C ATOM 718 C PHE A 43 -0.535 5.332 2.093 1.00 0.00 C ATOM 719 O PHE A 43 -1.349 4.474 2.434 1.00 0.00 O ATOM 720 CB PHE A 43 -0.791 7.758 2.643 1.00 0.00 C ATOM 721 CG PHE A 43 -2.269 7.786 2.902 1.00 0.00 C ATOM 722 CD1 PHE A 43 -2.781 7.355 4.115 1.00 0.00 C ATOM 723 CD2 PHE A 43 -3.147 8.243 1.933 1.00 0.00 C ATOM 724 CE1 PHE A 43 -4.141 7.378 4.358 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.508 8.269 2.168 1.00 0.00 C ATOM 726 CZ PHE A 43 -5.006 7.836 3.383 1.00 0.00 C ATOM 0 H PHE A 43 1.674 7.419 2.577 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.452 6.169 4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.320 8.580 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.613 7.930 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.109 6.996 4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.763 8.583 0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.527 7.039 5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.182 8.627 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.070 7.856 3.570 1.00 0.00 H new ATOM 736 N TYR A 44 0.023 5.360 0.888 1.00 0.00 N ATOM 737 CA TYR A 44 -0.293 4.364 -0.131 1.00 0.00 C ATOM 738 C TYR A 44 0.093 2.958 0.318 1.00 0.00 C ATOM 739 O TYR A 44 -0.696 2.022 0.197 1.00 0.00 O ATOM 740 CB TYR A 44 0.427 4.703 -1.438 1.00 0.00 C ATOM 741 CG TYR A 44 -0.379 4.381 -2.676 1.00 0.00 C ATOM 742 CD1 TYR A 44 -1.570 5.045 -2.945 1.00 0.00 C ATOM 743 CD2 TYR A 44 0.050 3.412 -3.575 1.00 0.00 C ATOM 744 CE1 TYR A 44 -2.309 4.752 -4.076 1.00 0.00 C ATOM 745 CE2 TYR A 44 -0.684 3.114 -4.707 1.00 0.00 C ATOM 746 CZ TYR A 44 -1.862 3.786 -4.954 1.00 0.00 C ATOM 747 OH TYR A 44 -2.596 3.491 -6.078 1.00 0.00 O ATOM 0 H TYR A 44 0.699 6.064 0.591 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.371 4.384 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.674 5.765 -1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.369 4.156 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.924 5.801 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.972 2.883 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.232 5.277 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.336 2.358 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.142 2.790 -6.590 1.00 0.00 H new ATOM 757 N SER A 45 1.313 2.813 0.823 1.00 0.00 N ATOM 758 CA SER A 45 1.804 1.515 1.275 1.00 0.00 C ATOM 759 C SER A 45 1.060 1.033 2.517 1.00 0.00 C ATOM 760 O SER A 45 0.801 -0.160 2.672 1.00 0.00 O ATOM 761 CB SER A 45 3.305 1.591 1.566 1.00 0.00 C ATOM 762 OG SER A 45 3.557 2.318 2.756 1.00 0.00 O ATOM 0 H SER A 45 1.980 3.577 0.930 1.00 0.00 H new ATOM 0 HA SER A 45 1.624 0.797 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.712 0.584 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.817 2.067 0.730 1.00 0.00 H new ATOM 0 HG SER A 45 3.712 3.261 2.537 1.00 0.00 H new ATOM 768 N ALA A 46 0.730 1.963 3.405 1.00 0.00 N ATOM 769 CA ALA A 46 0.029 1.625 4.638 1.00 0.00 C ATOM 770 C ALA A 46 -1.456 1.371 4.394 1.00 0.00 C ATOM 771 O ALA A 46 -2.044 0.464 4.983 1.00 0.00 O ATOM 772 CB ALA A 46 0.210 2.733 5.664 1.00 0.00 C ATOM 0 H ALA A 46 0.936 2.956 3.295 1.00 0.00 H new ATOM 0 HA ALA A 46 0.463 0.702 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.318 2.470 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.271 2.859 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.193 3.665 5.268 1.00 0.00 H new ATOM 778 N ALA A 47 -2.058 2.182 3.535 1.00 0.00 N ATOM 779 CA ALA A 47 -3.477 2.053 3.227 1.00 0.00 C ATOM 780 C ALA A 47 -3.751 0.878 2.291 1.00 0.00 C ATOM 781 O ALA A 47 -4.788 0.224 2.394 1.00 0.00 O ATOM 782 CB ALA A 47 -4.002 3.342 2.615 1.00 0.00 C ATOM 0 H ALA A 47 -1.586 2.937 3.038 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.000 1.859 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.063 3.232 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.864 4.162 3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.456 3.557 1.696 1.00 0.00 H new ATOM 788 N ASP A 48 -2.825 0.620 1.375 1.00 0.00 N ATOM 789 CA ASP A 48 -2.982 -0.468 0.418 1.00 0.00 C ATOM 790 C ASP A 48 -2.817 -1.829 1.085 1.00 0.00 C ATOM 791 O ASP A 48 -3.661 -2.709 0.926 1.00 0.00 O ATOM 792 CB ASP A 48 -1.973 -0.318 -0.720 1.00 0.00 C ATOM 793 CG ASP A 48 -2.358 0.775 -1.696 1.00 0.00 C ATOM 794 OD1 ASP A 48 -3.137 1.671 -1.307 1.00 0.00 O ATOM 795 OD2 ASP A 48 -1.882 0.737 -2.849 1.00 0.00 O ATOM 0 H ASP A 48 -1.959 1.149 1.275 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.993 -0.413 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.990 -0.099 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.889 -1.265 -1.254 1.00 0.00 H new ATOM 800 N HIS A 49 -1.731 -2.005 1.835 1.00 0.00 N ATOM 801 CA HIS A 49 -1.482 -3.271 2.521 1.00 0.00 C ATOM 802 C HIS A 49 -2.676 -3.635 3.393 1.00 0.00 C ATOM 803 O HIS A 49 -3.149 -4.771 3.382 1.00 0.00 O ATOM 804 CB HIS A 49 -0.213 -3.179 3.371 1.00 0.00 C ATOM 805 CG HIS A 49 0.968 -3.864 2.756 1.00 0.00 C ATOM 806 ND1 HIS A 49 1.419 -3.590 1.482 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.795 -4.817 3.248 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.469 -4.345 1.215 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.718 -5.097 2.271 1.00 0.00 N ATOM 0 H HIS A 49 -1.015 -1.294 1.982 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.340 -4.051 1.773 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.030 -2.129 3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.408 -3.617 4.350 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.739 -5.272 4.226 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.028 -4.347 0.291 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.474 -5.777 2.349 1.00 0.00 H new ATOM 818 N ARG A 50 -3.175 -2.648 4.127 1.00 0.00 N ATOM 819 CA ARG A 50 -4.334 -2.841 4.985 1.00 0.00 C ATOM 820 C ARG A 50 -5.548 -3.174 4.134 1.00 0.00 C ATOM 821 O ARG A 50 -6.288 -4.117 4.406 1.00 0.00 O ATOM 822 CB ARG A 50 -4.613 -1.569 5.778 1.00 0.00 C ATOM 823 CG ARG A 50 -5.179 -1.821 7.165 1.00 0.00 C ATOM 824 CD ARG A 50 -4.081 -1.876 8.215 1.00 0.00 C ATOM 825 NE ARG A 50 -3.866 -3.233 8.713 1.00 0.00 N ATOM 826 CZ ARG A 50 -4.747 -3.899 9.455 1.00 0.00 C ATOM 827 NH1 ARG A 50 -5.904 -3.338 9.788 1.00 0.00 N ATOM 828 NH2 ARG A 50 -4.472 -5.129 9.867 1.00 0.00 N ATOM 0 H ARG A 50 -2.792 -1.703 4.144 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.131 -3.660 5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.688 -1.000 5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.313 -0.949 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.887 -1.032 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.733 -2.760 7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.153 -1.495 7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.342 -1.222 9.047 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.989 -3.697 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.121 -2.392 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.576 -3.853 10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.585 -5.565 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.148 -5.639 10.436 1.00 0.00 H new ATOM 842 N LEU A 51 -5.729 -2.376 3.094 1.00 0.00 N ATOM 843 CA LEU A 51 -6.831 -2.544 2.166 1.00 0.00 C ATOM 844 C LEU A 51 -6.751 -3.912 1.488 1.00 0.00 C ATOM 845 O LEU A 51 -7.772 -4.525 1.172 1.00 0.00 O ATOM 846 CB LEU A 51 -6.777 -1.411 1.129 1.00 0.00 C ATOM 847 CG LEU A 51 -7.432 -1.699 -0.222 1.00 0.00 C ATOM 848 CD1 LEU A 51 -6.517 -2.576 -1.057 1.00 0.00 C ATOM 849 CD2 LEU A 51 -8.797 -2.351 -0.039 1.00 0.00 C ATOM 0 H LEU A 51 -5.114 -1.593 2.871 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.779 -2.497 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.253 -0.530 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.732 -1.156 0.955 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.588 -0.756 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.987 -2.780 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.568 -2.063 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.338 -3.516 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.241 -2.545 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.682 -3.291 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.446 -1.684 0.529 1.00 0.00 H new ATOM 861 N ALA A 52 -5.527 -4.377 1.258 1.00 0.00 N ATOM 862 CA ALA A 52 -5.299 -5.661 0.606 1.00 0.00 C ATOM 863 C ALA A 52 -5.831 -6.827 1.433 1.00 0.00 C ATOM 864 O ALA A 52 -6.571 -7.669 0.926 1.00 0.00 O ATOM 865 CB ALA A 52 -3.814 -5.844 0.326 1.00 0.00 C ATOM 0 H ALA A 52 -4.674 -3.880 1.515 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.849 -5.656 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.651 -6.805 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.465 -5.043 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.260 -5.815 1.265 1.00 0.00 H new ATOM 871 N GLU A 53 -5.450 -6.881 2.708 1.00 0.00 N ATOM 872 CA GLU A 53 -5.898 -7.959 3.585 1.00 0.00 C ATOM 873 C GLU A 53 -7.420 -8.012 3.642 1.00 0.00 C ATOM 874 O GLU A 53 -8.014 -9.089 3.598 1.00 0.00 O ATOM 875 CB GLU A 53 -5.319 -7.803 4.995 1.00 0.00 C ATOM 876 CG GLU A 53 -5.333 -6.376 5.520 1.00 0.00 C ATOM 877 CD GLU A 53 -4.737 -6.261 6.910 1.00 0.00 C ATOM 878 OE1 GLU A 53 -5.478 -6.477 7.893 1.00 0.00 O ATOM 879 OE2 GLU A 53 -3.531 -5.954 7.014 1.00 0.00 O ATOM 0 H GLU A 53 -4.838 -6.197 3.153 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.532 -8.898 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.884 -8.436 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.292 -8.169 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.777 -5.735 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.359 -6.009 5.537 1.00 0.00 H new ATOM 886 N LEU A 54 -8.049 -6.845 3.725 1.00 0.00 N ATOM 887 CA LEU A 54 -9.502 -6.766 3.774 1.00 0.00 C ATOM 888 C LEU A 54 -10.117 -7.410 2.536 1.00 0.00 C ATOM 889 O LEU A 54 -11.210 -7.974 2.593 1.00 0.00 O ATOM 890 CB LEU A 54 -9.945 -5.307 3.883 1.00 0.00 C ATOM 891 CG LEU A 54 -9.799 -4.691 5.276 1.00 0.00 C ATOM 892 CD1 LEU A 54 -9.298 -3.258 5.177 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.124 -4.744 6.022 1.00 0.00 C ATOM 0 H LEU A 54 -7.575 -5.942 3.760 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.848 -7.309 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.365 -4.713 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.989 -5.236 3.578 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.065 -5.272 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.200 -2.837 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.327 -3.245 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.007 -2.664 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.003 -4.302 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.877 -4.187 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.442 -5.781 6.125 1.00 0.00 H new ATOM 905 N THR A 55 -9.403 -7.323 1.416 1.00 0.00 N ATOM 906 CA THR A 55 -9.872 -7.899 0.160 1.00 0.00 C ATOM 907 C THR A 55 -9.554 -9.389 0.091 1.00 0.00 C ATOM 908 O THR A 55 -10.305 -10.168 -0.498 1.00 0.00 O ATOM 909 CB THR A 55 -9.231 -7.174 -1.025 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.944 -5.828 -0.693 1.00 0.00 O ATOM 911 CG2 THR A 55 -10.103 -7.167 -2.262 1.00 0.00 C ATOM 0 H THR A 55 -8.497 -6.859 1.354 1.00 0.00 H new ATOM 0 HA THR A 55 -10.954 -7.775 0.113 1.00 0.00 H new ATOM 0 HB THR A 55 -8.319 -7.728 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.175 -5.798 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.591 -6.638 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.302 -8.193 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.045 -6.666 -2.040 1.00 0.00 H new ATOM 919 N MET A 56 -8.433 -9.778 0.690 1.00 0.00 N ATOM 920 CA MET A 56 -8.008 -11.176 0.693 1.00 0.00 C ATOM 921 C MET A 56 -8.440 -11.889 1.971 1.00 0.00 C ATOM 922 O MET A 56 -7.935 -12.966 2.290 1.00 0.00 O ATOM 923 CB MET A 56 -6.490 -11.262 0.556 1.00 0.00 C ATOM 924 CG MET A 56 -6.010 -12.535 -0.123 1.00 0.00 C ATOM 925 SD MET A 56 -6.642 -12.709 -1.803 1.00 0.00 S ATOM 926 CE MET A 56 -6.400 -11.048 -2.428 1.00 0.00 C ATOM 0 H MET A 56 -7.801 -9.145 1.180 1.00 0.00 H new ATOM 0 HA MET A 56 -8.486 -11.668 -0.154 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.136 -10.402 -0.012 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.040 -11.197 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.920 -12.540 -0.147 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.320 -13.396 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.293 -11.079 -3.512 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.260 -10.432 -2.166 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.500 -10.621 -1.986 1.00 0.00 H new ATOM 936 N ASN A 57 -9.372 -11.289 2.700 1.00 0.00 N ATOM 937 CA ASN A 57 -9.864 -11.871 3.942 1.00 0.00 C ATOM 938 C ASN A 57 -8.767 -11.913 5.004 1.00 0.00 C ATOM 939 O ASN A 57 -8.290 -12.983 5.382 1.00 0.00 O ATOM 940 CB ASN A 57 -10.413 -13.280 3.693 1.00 0.00 C ATOM 941 CG ASN A 57 -11.926 -13.301 3.594 1.00 0.00 C ATOM 942 OD1 ASN A 57 -12.489 -13.803 2.621 1.00 0.00 O ATOM 943 ND2 ASN A 57 -12.594 -12.754 4.602 1.00 0.00 N ATOM 0 H ASN A 57 -9.803 -10.398 2.452 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.671 -11.238 4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.986 -13.676 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.095 -13.939 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.614 -12.739 4.589 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.088 -12.349 5.389 1.00 0.00 H new ATOM 950 N LYS A 58 -8.379 -10.736 5.483 1.00 0.00 N ATOM 951 CA LYS A 58 -7.345 -10.621 6.507 1.00 0.00 C ATOM 952 C LYS A 58 -6.048 -11.297 6.076 1.00 0.00 C ATOM 953 O LYS A 58 -5.279 -11.768 6.915 1.00 0.00 O ATOM 954 CB LYS A 58 -7.830 -11.237 7.819 1.00 0.00 C ATOM 955 CG LYS A 58 -8.721 -10.314 8.632 1.00 0.00 C ATOM 956 CD LYS A 58 -7.916 -9.506 9.638 1.00 0.00 C ATOM 957 CE LYS A 58 -7.036 -8.477 8.948 1.00 0.00 C ATOM 958 NZ LYS A 58 -7.835 -7.515 8.140 1.00 0.00 N ATOM 0 H LYS A 58 -8.767 -9.844 5.177 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.144 -9.559 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.376 -12.155 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.965 -11.516 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.253 -9.638 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.474 -10.902 9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.594 -9.003 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.296 -10.177 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.460 -7.932 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.320 -8.986 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.228 -6.726 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.215 -7.998 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.621 -7.148 8.714 1.00 0.00 H new ATOM 972 N LEU A 59 -5.802 -11.344 4.772 1.00 0.00 N ATOM 973 CA LEU A 59 -4.589 -11.967 4.257 1.00 0.00 C ATOM 974 C LEU A 59 -3.739 -10.971 3.471 1.00 0.00 C ATOM 975 O LEU A 59 -4.175 -10.433 2.453 1.00 0.00 O ATOM 976 CB LEU A 59 -4.933 -13.170 3.375 1.00 0.00 C ATOM 977 CG LEU A 59 -3.727 -13.937 2.823 1.00 0.00 C ATOM 978 CD1 LEU A 59 -3.155 -13.234 1.600 1.00 0.00 C ATOM 979 CD2 LEU A 59 -2.658 -14.100 3.896 1.00 0.00 C ATOM 0 H LEU A 59 -6.421 -10.961 4.057 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.008 -12.308 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.549 -13.859 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.539 -12.825 2.537 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.064 -14.929 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.300 -13.796 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.919 -13.174 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.837 -12.228 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.810 -14.647 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.327 -13.117 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.071 -14.652 4.740 1.00 0.00 H new ATOM 991 N TYR A 60 -2.521 -10.738 3.949 1.00 0.00 N ATOM 992 CA TYR A 60 -1.602 -9.814 3.292 1.00 0.00 C ATOM 993 C TYR A 60 -0.246 -10.478 3.057 1.00 0.00 C ATOM 994 O TYR A 60 0.072 -11.490 3.682 1.00 0.00 O ATOM 995 CB TYR A 60 -1.440 -8.534 4.119 1.00 0.00 C ATOM 996 CG TYR A 60 -0.407 -8.634 5.219 1.00 0.00 C ATOM 997 CD1 TYR A 60 0.944 -8.480 4.940 1.00 0.00 C ATOM 998 CD2 TYR A 60 -0.783 -8.882 6.533 1.00 0.00 C ATOM 999 CE1 TYR A 60 1.894 -8.570 5.940 1.00 0.00 C ATOM 1000 CE2 TYR A 60 0.161 -8.973 7.539 1.00 0.00 C ATOM 1001 CZ TYR A 60 1.497 -8.817 7.237 1.00 0.00 C ATOM 1002 OH TYR A 60 2.439 -8.908 8.235 1.00 0.00 O ATOM 0 H TYR A 60 -2.147 -11.177 4.790 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.023 -9.545 2.323 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.167 -7.716 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.402 -8.276 4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.258 -8.287 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.829 -9.006 6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.941 -8.448 5.707 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.147 -9.165 8.556 1.00 0.00 H new ATOM 0 HH TYR A 60 1.994 -9.084 9.090 1.00 0.00 H new ATOM 1012 N ASP A 61 0.538 -9.905 2.143 1.00 0.00 N ATOM 1013 CA ASP A 61 1.864 -10.429 1.797 1.00 0.00 C ATOM 1014 C ASP A 61 1.771 -11.444 0.659 1.00 0.00 C ATOM 1015 O ASP A 61 2.786 -11.820 0.070 1.00 0.00 O ATOM 1016 CB ASP A 61 2.547 -11.066 3.014 1.00 0.00 C ATOM 1017 CG ASP A 61 4.059 -11.022 2.915 1.00 0.00 C ATOM 1018 OD1 ASP A 61 4.580 -10.183 2.151 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.723 -11.826 3.604 1.00 0.00 O ATOM 0 H ASP A 61 0.275 -9.068 1.622 1.00 0.00 H new ATOM 0 HA ASP A 61 2.470 -9.586 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.229 -10.547 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.222 -12.102 3.109 1.00 0.00 H new ATOM 1024 N LYS A 62 0.553 -11.879 0.348 1.00 0.00 N ATOM 1025 CA LYS A 62 0.334 -12.841 -0.724 1.00 0.00 C ATOM 1026 C LYS A 62 -0.782 -12.371 -1.655 1.00 0.00 C ATOM 1027 O LYS A 62 -1.376 -13.170 -2.378 1.00 0.00 O ATOM 1028 CB LYS A 62 -0.014 -14.213 -0.144 1.00 0.00 C ATOM 1029 CG LYS A 62 -0.053 -15.322 -1.186 1.00 0.00 C ATOM 1030 CD LYS A 62 -1.451 -15.900 -1.337 1.00 0.00 C ATOM 1031 CE LYS A 62 -1.887 -16.642 -0.084 1.00 0.00 C ATOM 1032 NZ LYS A 62 -3.338 -16.975 -0.112 1.00 0.00 N ATOM 0 H LYS A 62 -0.297 -11.579 0.825 1.00 0.00 H new ATOM 0 HA LYS A 62 1.255 -12.922 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.718 -14.471 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.984 -14.154 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.286 -14.932 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.640 -16.114 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.157 -15.097 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.475 -16.579 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.306 -17.559 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.672 -16.031 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.595 -17.480 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.894 -16.099 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.540 -17.579 -0.934 1.00 0.00 H new ATOM 1046 N ILE A 63 -1.062 -11.070 -1.629 1.00 0.00 N ATOM 1047 CA ILE A 63 -2.105 -10.495 -2.468 1.00 0.00 C ATOM 1048 C ILE A 63 -1.781 -10.680 -3.950 1.00 0.00 C ATOM 1049 O ILE A 63 -0.848 -10.065 -4.468 1.00 0.00 O ATOM 1050 CB ILE A 63 -2.296 -8.992 -2.179 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -2.473 -8.752 -0.675 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -3.493 -8.456 -2.953 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -1.262 -8.132 -0.010 1.00 0.00 C ATOM 0 H ILE A 63 -0.580 -10.396 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.029 -11.022 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.404 -8.458 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.334 -8.103 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.697 -9.701 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.618 -7.394 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.328 -8.596 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.392 -8.994 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.462 -7.992 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.402 -8.790 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.049 -7.167 -0.469 1.00 0.00 H new ATOM 1065 N PRO A 64 -2.545 -11.533 -4.658 1.00 0.00 N ATOM 1066 CA PRO A 64 -2.325 -11.788 -6.086 1.00 0.00 C ATOM 1067 C PRO A 64 -2.342 -10.506 -6.911 1.00 0.00 C ATOM 1068 O PRO A 64 -2.772 -9.456 -6.434 1.00 0.00 O ATOM 1069 CB PRO A 64 -3.498 -12.691 -6.477 1.00 0.00 C ATOM 1070 CG PRO A 64 -3.930 -13.330 -5.203 1.00 0.00 C ATOM 1071 CD PRO A 64 -3.680 -12.313 -4.127 1.00 0.00 C ATOM 0 HA PRO A 64 -1.349 -12.235 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.308 -12.115 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -3.194 -13.438 -7.211 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.984 -13.606 -5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.368 -14.244 -5.014 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.554 -11.685 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.434 -12.785 -3.176 1.00 0.00 H new ATOM 1079 N SER A 65 -1.872 -10.599 -8.150 1.00 0.00 N ATOM 1080 CA SER A 65 -1.834 -9.447 -9.042 1.00 0.00 C ATOM 1081 C SER A 65 -3.228 -9.116 -9.564 1.00 0.00 C ATOM 1082 O SER A 65 -3.602 -7.949 -9.669 1.00 0.00 O ATOM 1083 CB SER A 65 -0.889 -9.716 -10.214 1.00 0.00 C ATOM 1084 OG SER A 65 0.443 -9.357 -9.890 1.00 0.00 O ATOM 0 H SER A 65 -1.512 -11.461 -8.559 1.00 0.00 H new ATOM 0 HA SER A 65 -1.466 -8.592 -8.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.929 -10.772 -10.482 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.218 -9.153 -11.087 1.00 0.00 H new ATOM 0 HG SER A 65 1.027 -9.541 -10.656 1.00 0.00 H new ATOM 1090 N SER A 66 -3.993 -10.153 -9.888 1.00 0.00 N ATOM 1091 CA SER A 66 -5.347 -9.974 -10.400 1.00 0.00 C ATOM 1092 C SER A 66 -6.226 -9.261 -9.378 1.00 0.00 C ATOM 1093 O SER A 66 -6.989 -8.358 -9.724 1.00 0.00 O ATOM 1094 CB SER A 66 -5.960 -11.328 -10.763 1.00 0.00 C ATOM 1095 OG SER A 66 -6.782 -11.223 -11.913 1.00 0.00 O ATOM 0 H SER A 66 -3.699 -11.126 -9.805 1.00 0.00 H new ATOM 0 HA SER A 66 -5.291 -9.356 -11.296 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.167 -12.053 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.548 -11.701 -9.925 1.00 0.00 H new ATOM 0 HG SER A 66 -7.161 -12.101 -12.126 1.00 0.00 H new ATOM 1101 N VAL A 67 -6.116 -9.673 -8.119 1.00 0.00 N ATOM 1102 CA VAL A 67 -6.903 -9.072 -7.049 1.00 0.00 C ATOM 1103 C VAL A 67 -6.510 -7.617 -6.831 1.00 0.00 C ATOM 1104 O VAL A 67 -7.363 -6.729 -6.808 1.00 0.00 O ATOM 1105 CB VAL A 67 -6.731 -9.836 -5.721 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -7.752 -9.360 -4.697 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -6.845 -11.339 -5.943 1.00 0.00 C ATOM 0 H VAL A 67 -5.491 -10.419 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.946 -9.127 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.734 -9.629 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.617 -9.910 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.613 -8.295 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.758 -9.535 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.720 -11.858 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.826 -11.572 -6.358 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.071 -11.664 -6.638 1.00 0.00 H new ATOM 1117 N TRP A 68 -5.212 -7.378 -6.672 1.00 0.00 N ATOM 1118 CA TRP A 68 -4.703 -6.030 -6.453 1.00 0.00 C ATOM 1119 C TRP A 68 -5.105 -5.104 -7.597 1.00 0.00 C ATOM 1120 O TRP A 68 -5.502 -3.961 -7.373 1.00 0.00 O ATOM 1121 CB TRP A 68 -3.179 -6.056 -6.302 1.00 0.00 C ATOM 1122 CG TRP A 68 -2.715 -5.611 -4.954 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -1.727 -6.173 -4.200 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -3.221 -4.507 -4.198 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -1.589 -5.485 -3.020 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -2.496 -4.457 -2.995 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -4.218 -3.555 -4.424 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -2.738 -3.493 -2.021 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -4.457 -2.599 -3.458 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -3.720 -2.574 -2.268 1.00 0.00 C ATOM 0 H TRP A 68 -4.493 -8.102 -6.691 1.00 0.00 H new ATOM 0 HA TRP A 68 -5.142 -5.645 -5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.819 -7.068 -6.488 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.734 -5.415 -7.063 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.140 -7.032 -4.489 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.920 -5.703 -2.282 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.792 -3.567 -5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.170 -3.471 -1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.225 -1.858 -3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.931 -1.814 -1.530 1.00 0.00 H new ATOM 1141 N LYS A 69 -5.004 -5.605 -8.821 1.00 0.00 N ATOM 1142 CA LYS A 69 -5.363 -4.820 -9.996 1.00 0.00 C ATOM 1143 C LYS A 69 -6.832 -4.409 -9.943 1.00 0.00 C ATOM 1144 O LYS A 69 -7.212 -3.357 -10.456 1.00 0.00 O ATOM 1145 CB LYS A 69 -5.090 -5.617 -11.274 1.00 0.00 C ATOM 1146 CG LYS A 69 -4.626 -4.756 -12.437 1.00 0.00 C ATOM 1147 CD LYS A 69 -4.075 -5.605 -13.573 1.00 0.00 C ATOM 1148 CE LYS A 69 -2.888 -4.934 -14.244 1.00 0.00 C ATOM 1149 NZ LYS A 69 -3.314 -3.946 -15.273 1.00 0.00 N ATOM 0 H LYS A 69 -4.677 -6.549 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.749 -3.919 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.332 -6.373 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.998 -6.147 -11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.459 -4.155 -12.801 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.858 -4.062 -12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.774 -6.579 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.859 -5.782 -14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.281 -4.433 -13.490 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.258 -5.692 -14.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.474 -3.512 -15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.872 -4.428 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.894 -3.208 -14.826 1.00 0.00 H new ATOM 1163 N PHE A 70 -7.653 -5.247 -9.317 1.00 0.00 N ATOM 1164 CA PHE A 70 -9.080 -4.973 -9.195 1.00 0.00 C ATOM 1165 C PHE A 70 -9.348 -3.910 -8.133 1.00 0.00 C ATOM 1166 O PHE A 70 -10.060 -2.937 -8.380 1.00 0.00 O ATOM 1167 CB PHE A 70 -9.838 -6.255 -8.849 1.00 0.00 C ATOM 1168 CG PHE A 70 -11.319 -6.159 -9.085 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -11.853 -6.416 -10.338 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -12.177 -5.812 -8.053 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -13.214 -6.328 -10.557 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -13.539 -5.723 -8.267 1.00 0.00 C ATOM 1173 CZ PHE A 70 -14.058 -5.981 -9.520 1.00 0.00 C ATOM 0 H PHE A 70 -7.354 -6.122 -8.886 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.432 -4.595 -10.155 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.436 -7.076 -9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.660 -6.501 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -11.198 -6.688 -11.152 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -11.776 -5.609 -7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -13.618 -6.530 -11.538 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -14.197 -5.452 -7.455 1.00 0.00 H new ATOM 0 HZ PHE A 70 -15.122 -5.912 -9.689 1.00 0.00 H new ATOM 1183 N ILE A 71 -8.775 -4.103 -6.948 1.00 0.00 N ATOM 1184 CA ILE A 71 -8.959 -3.160 -5.850 1.00 0.00 C ATOM 1185 C ILE A 71 -7.849 -2.112 -5.831 1.00 0.00 C ATOM 1186 O ILE A 71 -6.667 -2.446 -5.780 1.00 0.00 O ATOM 1187 CB ILE A 71 -9.003 -3.881 -4.485 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -9.377 -2.896 -3.375 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -7.668 -4.549 -4.182 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -10.436 -3.424 -2.432 1.00 0.00 C ATOM 0 H ILE A 71 -8.181 -4.902 -6.724 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.916 -2.665 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.766 -4.658 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.483 -2.649 -2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.733 -1.970 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.723 -5.050 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.443 -5.281 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.882 -3.795 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.652 -2.674 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.345 -3.645 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.075 -4.334 -1.953 1.00 0.00 H new ATOM 1202 N ARG A 72 -8.242 -0.843 -5.871 1.00 0.00 N ATOM 1203 CA ARG A 72 -7.283 0.255 -5.859 1.00 0.00 C ATOM 1204 C ARG A 72 -7.057 0.764 -4.439 1.00 0.00 C ATOM 1205 O ARG A 72 -7.944 0.552 -3.587 1.00 0.00 O ATOM 1206 CB ARG A 72 -7.773 1.397 -6.754 1.00 0.00 C ATOM 1207 CG ARG A 72 -6.725 1.891 -7.737 1.00 0.00 C ATOM 1208 CD ARG A 72 -7.157 3.186 -8.407 1.00 0.00 C ATOM 1209 NE ARG A 72 -6.067 3.803 -9.158 1.00 0.00 N ATOM 1210 CZ ARG A 72 -5.642 3.367 -10.343 1.00 0.00 C ATOM 1211 NH1 ARG A 72 -6.213 2.313 -10.913 1.00 0.00 N ATOM 1212 NH2 ARG A 72 -4.644 3.987 -10.957 1.00 0.00 N ATOM 1213 OXT ARG A 72 -5.992 1.369 -4.190 1.00 0.00 O ATOM 0 H ARG A 72 -9.218 -0.550 -5.912 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.335 -0.118 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.650 1.063 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.091 2.229 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.780 2.047 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.548 1.129 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.992 2.986 -9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.516 3.883 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.604 4.616 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.981 1.833 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.884 1.983 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.202 4.797 -10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.318 3.654 -11.864 1.00 0.00 H new TER 1227 ARG A 72