USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 18 SER OG : rot 180:sc= -0.537 USER MOD Set 1.2: A 25 THR OG1 : rot 147:sc= 0.0217 USER MOD Set 1.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 131:sc= 0.0733 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 6:sc= 0.429 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.146 USER MOD Single : A 26 MET CE :methyl -111:sc= -1.11 (180deg=-2.64!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=-0.0061) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.04 K(o=-3,f=-8.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00702 USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= 0.165 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 26:sc= 0.134 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc=-0.00468 (180deg=-0.00468) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -6.28! C(o=-6.3!,f=-11!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.547 X(o=-0.55,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0334) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.684 -2.495 -0.050 1.00 0.00 N ATOM 60 CA GLY A 7 -20.311 -1.871 1.101 1.00 0.00 C ATOM 61 C GLY A 7 -19.669 -0.547 1.464 1.00 0.00 C ATOM 62 O GLY A 7 -20.321 0.497 1.434 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.369 -1.713 0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.251 -2.547 1.954 1.00 0.00 H new ATOM 66 N THR A 8 -18.386 -0.589 1.810 1.00 0.00 N ATOM 67 CA THR A 8 -17.656 0.616 2.184 1.00 0.00 C ATOM 68 C THR A 8 -16.801 1.122 1.027 1.00 0.00 C ATOM 69 O THR A 8 -16.489 0.375 0.101 1.00 0.00 O ATOM 70 CB THR A 8 -16.751 0.369 3.406 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.525 -0.156 4.490 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.066 1.655 3.841 1.00 0.00 C ATOM 0 H THR A 8 -17.831 -1.444 1.839 1.00 0.00 H new ATOM 0 HA THR A 8 -18.401 1.370 2.439 1.00 0.00 H new ATOM 0 HB THR A 8 -15.985 -0.353 3.123 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.080 -0.949 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.433 1.455 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.454 2.036 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.819 2.397 4.107 1.00 0.00 H new ATOM 80 N SER A 9 -16.426 2.396 1.088 1.00 0.00 N ATOM 81 CA SER A 9 -15.609 3.003 0.043 1.00 0.00 C ATOM 82 C SER A 9 -14.143 2.615 0.206 1.00 0.00 C ATOM 83 O SER A 9 -13.651 2.398 1.313 1.00 0.00 O ATOM 84 CB SER A 9 -15.752 4.525 0.075 1.00 0.00 C ATOM 85 OG SER A 9 -16.987 4.934 -0.488 1.00 0.00 O ATOM 0 H SER A 9 -16.675 3.028 1.849 1.00 0.00 H new ATOM 0 HA SER A 9 -15.960 2.632 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.683 4.878 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.929 4.982 -0.475 1.00 0.00 H new ATOM 0 HG SER A 9 -17.054 5.911 -0.454 1.00 0.00 H new ATOM 91 N PRO A 10 -13.427 2.525 -0.925 1.00 0.00 N ATOM 92 CA PRO A 10 -12.006 2.163 -0.935 1.00 0.00 C ATOM 93 C PRO A 10 -11.124 3.260 -0.348 1.00 0.00 C ATOM 94 O PRO A 10 -11.565 4.386 -0.116 1.00 0.00 O ATOM 95 CB PRO A 10 -11.700 1.969 -2.422 1.00 0.00 C ATOM 96 CG PRO A 10 -12.708 2.809 -3.129 1.00 0.00 C ATOM 97 CD PRO A 10 -13.948 2.769 -2.280 1.00 0.00 C ATOM 0 HA PRO A 10 -11.806 1.281 -0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.684 2.284 -2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.785 0.921 -2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.349 3.831 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.907 2.422 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.502 3.706 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.627 1.978 -2.598 1.00 0.00 H new ATOM 105 N PRO A 11 -9.848 2.927 -0.103 1.00 0.00 N ATOM 106 CA PRO A 11 -8.878 3.871 0.459 1.00 0.00 C ATOM 107 C PRO A 11 -8.504 4.973 -0.527 1.00 0.00 C ATOM 108 O PRO A 11 -8.027 4.699 -1.629 1.00 0.00 O ATOM 109 CB PRO A 11 -7.663 2.992 0.764 1.00 0.00 C ATOM 110 CG PRO A 11 -7.781 1.843 -0.177 1.00 0.00 C ATOM 111 CD PRO A 11 -9.255 1.604 -0.355 1.00 0.00 C ATOM 0 HA PRO A 11 -9.274 4.392 1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.732 3.537 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.667 2.656 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.304 2.069 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.288 0.958 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.486 1.245 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.628 0.856 0.345 1.00 0.00 H new ATOM 119 N THR A 12 -8.722 6.221 -0.123 1.00 0.00 N ATOM 120 CA THR A 12 -8.408 7.364 -0.971 1.00 0.00 C ATOM 121 C THR A 12 -7.166 8.094 -0.473 1.00 0.00 C ATOM 122 O THR A 12 -6.537 7.677 0.501 1.00 0.00 O ATOM 123 CB THR A 12 -9.583 8.358 -1.032 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.878 8.849 0.280 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.820 7.697 -1.622 1.00 0.00 C ATOM 0 H THR A 12 -9.115 6.465 0.786 1.00 0.00 H new ATOM 0 HA THR A 12 -8.220 6.973 -1.971 1.00 0.00 H new ATOM 0 HB THR A 12 -9.294 9.190 -1.674 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.625 9.482 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.637 8.418 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.601 7.350 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.110 6.849 -1.002 1.00 0.00 H new ATOM 133 N LEU A 13 -6.817 9.185 -1.145 1.00 0.00 N ATOM 134 CA LEU A 13 -5.649 9.974 -0.770 1.00 0.00 C ATOM 135 C LEU A 13 -4.425 9.082 -0.587 1.00 0.00 C ATOM 136 O LEU A 13 -3.725 9.169 0.424 1.00 0.00 O ATOM 137 CB LEU A 13 -5.926 10.750 0.519 1.00 0.00 C ATOM 138 CG LEU A 13 -6.790 12.003 0.376 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.323 12.442 1.731 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.998 13.126 -0.277 1.00 0.00 C ATOM 0 H LEU A 13 -7.326 9.544 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.444 10.680 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.411 10.078 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.971 11.040 0.957 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.639 11.764 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.936 13.335 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.928 11.643 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.488 12.663 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.629 14.010 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.130 13.364 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.667 12.810 -1.266 1.00 0.00 H new ATOM 152 N LEU A 14 -4.170 8.227 -1.570 1.00 0.00 N ATOM 153 CA LEU A 14 -3.029 7.320 -1.520 1.00 0.00 C ATOM 154 C LEU A 14 -1.776 7.989 -2.077 1.00 0.00 C ATOM 155 O LEU A 14 -1.694 8.282 -3.271 1.00 0.00 O ATOM 156 CB LEU A 14 -3.331 6.043 -2.305 1.00 0.00 C ATOM 157 CG LEU A 14 -2.297 4.923 -2.190 1.00 0.00 C ATOM 158 CD1 LEU A 14 -1.108 5.198 -3.098 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.842 4.763 -0.747 1.00 0.00 C ATOM 0 H LEU A 14 -4.739 8.142 -2.413 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.848 7.062 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.294 5.656 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.438 6.305 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.763 3.991 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.383 4.390 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.447 5.261 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.641 6.140 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.106 3.961 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.394 5.695 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.699 4.518 -0.120 1.00 0.00 H new ATOM 171 N THR A 15 -0.801 8.227 -1.206 1.00 0.00 N ATOM 172 CA THR A 15 0.448 8.860 -1.611 1.00 0.00 C ATOM 173 C THR A 15 1.591 8.465 -0.683 1.00 0.00 C ATOM 174 O THR A 15 1.401 8.318 0.525 1.00 0.00 O ATOM 175 CB THR A 15 0.321 10.395 -1.625 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.535 10.805 -2.697 1.00 0.00 O ATOM 177 CG2 THR A 15 1.685 11.049 -1.779 1.00 0.00 C ATOM 0 H THR A 15 -0.852 7.991 -0.215 1.00 0.00 H new ATOM 0 HA THR A 15 0.666 8.511 -2.620 1.00 0.00 H new ATOM 0 HB THR A 15 -0.110 10.711 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.923 10.014 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.570 12.133 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.324 10.757 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.140 10.726 -2.716 1.00 0.00 H new ATOM 185 N VAL A 16 2.779 8.294 -1.254 1.00 0.00 N ATOM 186 CA VAL A 16 3.954 7.917 -0.477 1.00 0.00 C ATOM 187 C VAL A 16 4.328 9.010 0.518 1.00 0.00 C ATOM 188 O VAL A 16 4.145 10.197 0.250 1.00 0.00 O ATOM 189 CB VAL A 16 5.162 7.633 -1.389 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.208 6.813 -0.650 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.716 6.924 -2.659 1.00 0.00 C ATOM 0 H VAL A 16 2.953 8.411 -2.252 1.00 0.00 H new ATOM 0 HA VAL A 16 3.697 7.008 0.066 1.00 0.00 H new ATOM 0 HB VAL A 16 5.614 8.584 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.054 6.622 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.549 7.363 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.772 5.865 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.583 6.731 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.239 5.979 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.007 7.553 -3.197 1.00 0.00 H new ATOM 201 N ASP A 17 4.853 8.600 1.668 1.00 0.00 N ATOM 202 CA ASP A 17 5.254 9.544 2.704 1.00 0.00 C ATOM 203 C ASP A 17 6.774 9.656 2.778 1.00 0.00 C ATOM 204 O ASP A 17 7.334 10.744 2.645 1.00 0.00 O ATOM 205 CB ASP A 17 4.695 9.113 4.061 1.00 0.00 C ATOM 206 CG ASP A 17 4.448 10.289 4.985 1.00 0.00 C ATOM 207 OD1 ASP A 17 3.543 11.096 4.689 1.00 0.00 O ATOM 208 OD2 ASP A 17 5.161 10.403 6.005 1.00 0.00 O ATOM 0 H ASP A 17 5.011 7.621 1.906 1.00 0.00 H new ATOM 0 HA ASP A 17 4.848 10.522 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.762 8.571 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.392 8.422 4.535 1.00 0.00 H new ATOM 213 N SER A 18 7.435 8.523 2.993 1.00 0.00 N ATOM 214 CA SER A 18 8.890 8.494 3.090 1.00 0.00 C ATOM 215 C SER A 18 9.460 7.290 2.345 1.00 0.00 C ATOM 216 O SER A 18 8.828 6.237 2.267 1.00 0.00 O ATOM 217 CB SER A 18 9.324 8.452 4.556 1.00 0.00 C ATOM 218 OG SER A 18 8.680 7.397 5.249 1.00 0.00 O ATOM 0 H SER A 18 6.987 7.614 3.103 1.00 0.00 H new ATOM 0 HA SER A 18 9.278 9.402 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.405 8.323 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.089 9.402 5.035 1.00 0.00 H new ATOM 0 HG SER A 18 8.976 7.391 6.183 1.00 0.00 H new ATOM 224 N VAL A 19 10.661 7.455 1.798 1.00 0.00 N ATOM 225 CA VAL A 19 11.318 6.383 1.060 1.00 0.00 C ATOM 226 C VAL A 19 12.763 6.209 1.515 1.00 0.00 C ATOM 227 O VAL A 19 13.548 7.158 1.507 1.00 0.00 O ATOM 228 CB VAL A 19 11.298 6.652 -0.456 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.147 5.627 -1.192 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.869 6.646 -0.979 1.00 0.00 C ATOM 0 H VAL A 19 11.198 8.320 1.852 1.00 0.00 H new ATOM 0 HA VAL A 19 10.762 5.469 1.267 1.00 0.00 H new ATOM 0 HB VAL A 19 11.724 7.639 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.121 5.833 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.176 5.684 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.754 4.628 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.873 6.838 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.415 5.674 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.294 7.422 -0.474 1.00 0.00 H new ATOM 240 N THR A 20 13.109 4.988 1.912 1.00 0.00 N ATOM 241 CA THR A 20 14.460 4.688 2.371 1.00 0.00 C ATOM 242 C THR A 20 14.998 3.426 1.708 1.00 0.00 C ATOM 243 O THR A 20 14.350 2.379 1.725 1.00 0.00 O ATOM 244 CB THR A 20 14.507 4.511 3.900 1.00 0.00 C ATOM 245 OG1 THR A 20 13.528 5.352 4.521 1.00 0.00 O ATOM 246 CG2 THR A 20 15.888 4.847 4.442 1.00 0.00 C ATOM 0 H THR A 20 12.472 4.191 1.925 1.00 0.00 H new ATOM 0 HA THR A 20 15.085 5.536 2.091 1.00 0.00 H new ATOM 0 HB THR A 20 14.288 3.468 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.563 5.232 5.493 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.896 4.715 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.627 4.186 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.131 5.882 4.201 1.00 0.00 H new ATOM 254 N ASP A 21 16.187 3.531 1.124 1.00 0.00 N ATOM 255 CA ASP A 21 16.814 2.396 0.456 1.00 0.00 C ATOM 256 C ASP A 21 16.502 1.095 1.188 1.00 0.00 C ATOM 257 O ASP A 21 16.377 0.036 0.571 1.00 0.00 O ATOM 258 CB ASP A 21 18.328 2.599 0.373 1.00 0.00 C ATOM 259 CG ASP A 21 19.033 2.235 1.665 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.595 2.711 2.733 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.023 1.476 1.608 1.00 0.00 O ATOM 0 H ASP A 21 16.736 4.390 1.100 1.00 0.00 H new ATOM 0 HA ASP A 21 16.408 2.330 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.729 1.993 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.539 3.640 0.128 1.00 0.00 H new ATOM 266 N THR A 22 16.379 1.180 2.509 1.00 0.00 N ATOM 267 CA THR A 22 16.084 0.009 3.326 1.00 0.00 C ATOM 268 C THR A 22 14.648 -0.459 3.118 1.00 0.00 C ATOM 269 O THR A 22 14.403 -1.623 2.799 1.00 0.00 O ATOM 270 CB THR A 22 16.306 0.298 4.823 1.00 0.00 C ATOM 271 OG1 THR A 22 15.612 1.493 5.199 1.00 0.00 O ATOM 272 CG2 THR A 22 17.788 0.448 5.131 1.00 0.00 C ATOM 0 H THR A 22 16.479 2.048 3.036 1.00 0.00 H new ATOM 0 HA THR A 22 16.769 -0.778 3.010 1.00 0.00 H new ATOM 0 HB THR A 22 15.916 -0.544 5.395 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.757 1.669 6.152 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.920 0.652 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.309 -0.473 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.199 1.274 4.550 1.00 0.00 H new ATOM 280 N THR A 23 13.700 0.455 3.300 1.00 0.00 N ATOM 281 CA THR A 23 12.288 0.135 3.133 1.00 0.00 C ATOM 282 C THR A 23 11.490 1.367 2.722 1.00 0.00 C ATOM 283 O THR A 23 11.952 2.498 2.876 1.00 0.00 O ATOM 284 CB THR A 23 11.686 -0.444 4.428 1.00 0.00 C ATOM 285 OG1 THR A 23 11.527 0.595 5.401 1.00 0.00 O ATOM 286 CG2 THR A 23 12.572 -1.544 4.992 1.00 0.00 C ATOM 0 H THR A 23 13.885 1.423 3.563 1.00 0.00 H new ATOM 0 HA THR A 23 12.225 -0.615 2.345 1.00 0.00 H new ATOM 0 HB THR A 23 10.712 -0.871 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.454 0.198 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.127 -1.937 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.667 -2.346 4.260 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.559 -1.138 5.215 1.00 0.00 H new ATOM 294 N VAL A 24 10.290 1.141 2.197 1.00 0.00 N ATOM 295 CA VAL A 24 9.427 2.234 1.765 1.00 0.00 C ATOM 296 C VAL A 24 8.296 2.468 2.760 1.00 0.00 C ATOM 297 O VAL A 24 8.023 1.626 3.617 1.00 0.00 O ATOM 298 CB VAL A 24 8.823 1.956 0.375 1.00 0.00 C ATOM 299 CG1 VAL A 24 9.923 1.820 -0.667 1.00 0.00 C ATOM 300 CG2 VAL A 24 7.954 0.708 0.412 1.00 0.00 C ATOM 0 H VAL A 24 9.893 0.211 2.061 1.00 0.00 H new ATOM 0 HA VAL A 24 10.050 3.127 1.711 1.00 0.00 H new ATOM 0 HB VAL A 24 8.193 2.801 0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.478 1.624 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.499 2.744 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.581 0.994 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.535 0.527 -0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.559 -0.148 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.144 0.850 1.128 1.00 0.00 H new ATOM 310 N THR A 25 7.639 3.618 2.642 1.00 0.00 N ATOM 311 CA THR A 25 6.538 3.964 3.532 1.00 0.00 C ATOM 312 C THR A 25 5.357 4.528 2.751 1.00 0.00 C ATOM 313 O THR A 25 5.491 5.521 2.037 1.00 0.00 O ATOM 314 CB THR A 25 6.975 4.991 4.594 1.00 0.00 C ATOM 315 OG1 THR A 25 7.984 4.425 5.437 1.00 0.00 O ATOM 316 CG2 THR A 25 5.790 5.433 5.439 1.00 0.00 C ATOM 0 H THR A 25 7.851 4.325 1.938 1.00 0.00 H new ATOM 0 HA THR A 25 6.234 3.044 4.031 1.00 0.00 H new ATOM 0 HB THR A 25 7.379 5.863 4.080 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.609 5.127 5.716 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.123 6.158 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.036 5.890 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.360 4.568 5.944 1.00 0.00 H new ATOM 324 N MET A 26 4.200 3.888 2.892 1.00 0.00 N ATOM 325 CA MET A 26 2.995 4.329 2.200 1.00 0.00 C ATOM 326 C MET A 26 1.961 4.854 3.191 1.00 0.00 C ATOM 327 O MET A 26 1.651 4.198 4.185 1.00 0.00 O ATOM 328 CB MET A 26 2.399 3.179 1.385 1.00 0.00 C ATOM 329 CG MET A 26 3.303 2.698 0.261 1.00 0.00 C ATOM 330 SD MET A 26 3.900 4.048 -0.775 1.00 0.00 S ATOM 331 CE MET A 26 2.490 4.299 -1.850 1.00 0.00 C ATOM 0 H MET A 26 4.072 3.063 3.479 1.00 0.00 H new ATOM 0 HA MET A 26 3.270 5.139 1.525 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.187 2.344 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.447 3.499 0.962 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.155 2.168 0.687 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.759 1.984 -0.357 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.744 3.985 -2.862 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.647 3.710 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.220 5.355 -1.855 1.00 0.00 H new ATOM 341 N ARG A 27 1.431 6.041 2.913 1.00 0.00 N ATOM 342 CA ARG A 27 0.433 6.654 3.781 1.00 0.00 C ATOM 343 C ARG A 27 -0.907 6.783 3.062 1.00 0.00 C ATOM 344 O ARG A 27 -0.956 6.942 1.842 1.00 0.00 O ATOM 345 CB ARG A 27 0.908 8.031 4.247 1.00 0.00 C ATOM 346 CG ARG A 27 0.841 9.097 3.166 1.00 0.00 C ATOM 347 CD ARG A 27 0.703 10.489 3.763 1.00 0.00 C ATOM 348 NE ARG A 27 -0.694 10.863 3.962 1.00 0.00 N ATOM 349 CZ ARG A 27 -1.108 12.120 4.085 1.00 0.00 C ATOM 350 NH1 ARG A 27 -0.236 13.117 4.029 1.00 0.00 N ATOM 351 NH2 ARG A 27 -2.396 12.381 4.264 1.00 0.00 N ATOM 0 H ARG A 27 1.676 6.597 2.094 1.00 0.00 H new ATOM 0 HA ARG A 27 0.299 6.010 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.301 8.347 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.935 7.950 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.740 9.051 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.005 8.897 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.228 10.528 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.182 11.214 3.106 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.390 10.119 4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.755 12.920 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.556 14.081 4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.070 11.617 4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.713 13.346 4.358 1.00 0.00 H new ATOM 365 N TRP A 28 -1.991 6.714 3.826 1.00 0.00 N ATOM 366 CA TRP A 28 -3.332 6.822 3.262 1.00 0.00 C ATOM 367 C TRP A 28 -4.358 7.121 4.350 1.00 0.00 C ATOM 368 O TRP A 28 -4.031 7.136 5.537 1.00 0.00 O ATOM 369 CB TRP A 28 -3.706 5.532 2.531 1.00 0.00 C ATOM 370 CG TRP A 28 -3.867 4.356 3.446 1.00 0.00 C ATOM 371 CD1 TRP A 28 -4.968 4.042 4.191 1.00 0.00 C ATOM 372 CD2 TRP A 28 -2.895 3.340 3.714 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.739 2.891 4.906 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.475 2.440 4.631 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.592 3.101 3.269 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -2.795 1.323 5.108 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -0.919 1.992 3.744 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.521 1.114 4.655 1.00 0.00 C ATOM 0 H TRP A 28 -1.968 6.584 4.837 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.334 7.648 2.550 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.636 5.689 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.937 5.306 1.792 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.884 4.614 4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.403 2.445 5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.120 3.771 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.257 0.645 5.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.089 1.798 3.407 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.968 0.255 5.007 1.00 0.00 H new ATOM 389 N ARG A 29 -5.599 7.357 3.938 1.00 0.00 N ATOM 390 CA ARG A 29 -6.672 7.655 4.879 1.00 0.00 C ATOM 391 C ARG A 29 -7.884 6.764 4.622 1.00 0.00 C ATOM 392 O ARG A 29 -8.081 6.244 3.523 1.00 0.00 O ATOM 393 CB ARG A 29 -7.077 9.127 4.773 1.00 0.00 C ATOM 394 CG ARG A 29 -6.087 10.079 5.425 1.00 0.00 C ATOM 395 CD ARG A 29 -6.782 11.312 5.980 1.00 0.00 C ATOM 396 NE ARG A 29 -5.832 12.361 6.340 1.00 0.00 N ATOM 397 CZ ARG A 29 -5.352 13.247 5.474 1.00 0.00 C ATOM 398 NH1 ARG A 29 -5.733 13.210 4.204 1.00 0.00 N ATOM 399 NH2 ARG A 29 -4.491 14.171 5.877 1.00 0.00 N ATOM 0 H ARG A 29 -5.886 7.348 2.959 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.304 7.457 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.183 9.391 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.055 9.260 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.561 9.564 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.336 10.381 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.483 11.697 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.366 11.035 6.858 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.520 12.417 7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.396 12.501 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.363 13.891 3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.196 14.202 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.123 14.851 5.211 1.00 0.00 H new ATOM 413 N PRO A 30 -8.715 6.582 5.659 1.00 0.00 N ATOM 414 CA PRO A 30 -9.922 5.754 5.570 1.00 0.00 C ATOM 415 C PRO A 30 -10.996 6.387 4.693 1.00 0.00 C ATOM 416 O PRO A 30 -10.912 7.555 4.311 1.00 0.00 O ATOM 417 CB PRO A 30 -10.399 5.666 7.022 1.00 0.00 C ATOM 418 CG PRO A 30 -9.855 6.890 7.674 1.00 0.00 C ATOM 419 CD PRO A 30 -8.542 7.171 6.997 1.00 0.00 C ATOM 0 HA PRO A 30 -9.719 4.785 5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.487 5.637 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.029 4.762 7.506 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.540 7.730 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.717 6.734 8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.339 8.241 6.942 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.709 6.716 7.532 1.00 0.00 H new ATOM 427 N PRO A 31 -12.033 5.602 4.365 1.00 0.00 N ATOM 428 CA PRO A 31 -13.145 6.065 3.530 1.00 0.00 C ATOM 429 C PRO A 31 -14.020 7.088 4.246 1.00 0.00 C ATOM 430 O PRO A 31 -14.344 6.926 5.423 1.00 0.00 O ATOM 431 CB PRO A 31 -13.937 4.785 3.251 1.00 0.00 C ATOM 432 CG PRO A 31 -13.617 3.885 4.395 1.00 0.00 C ATOM 433 CD PRO A 31 -12.199 4.200 4.785 1.00 0.00 C ATOM 0 HA PRO A 31 -12.796 6.570 2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.007 4.986 3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.644 4.337 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.298 4.056 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.720 2.838 4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.041 4.080 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.489 3.543 4.283 1.00 0.00 H new ATOM 441 N ASP A 32 -14.400 8.140 3.529 1.00 0.00 N ATOM 442 CA ASP A 32 -15.240 9.189 4.096 1.00 0.00 C ATOM 443 C ASP A 32 -16.314 8.595 5.002 1.00 0.00 C ATOM 444 O ASP A 32 -16.586 9.115 6.084 1.00 0.00 O ATOM 445 CB ASP A 32 -15.891 10.009 2.981 1.00 0.00 C ATOM 446 CG ASP A 32 -16.277 9.158 1.787 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.140 8.269 1.945 1.00 0.00 O ATOM 448 OD2 ASP A 32 -15.716 9.382 0.694 1.00 0.00 O ATOM 0 H ASP A 32 -14.140 8.289 2.554 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.607 9.844 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.779 10.507 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.203 10.791 2.659 1.00 0.00 H new ATOM 453 N HIS A 33 -16.924 7.503 4.551 1.00 0.00 N ATOM 454 CA HIS A 33 -17.969 6.838 5.320 1.00 0.00 C ATOM 455 C HIS A 33 -17.741 5.329 5.356 1.00 0.00 C ATOM 456 O HIS A 33 -16.987 4.787 4.549 1.00 0.00 O ATOM 457 CB HIS A 33 -19.343 7.143 4.723 1.00 0.00 C ATOM 458 CG HIS A 33 -19.789 8.557 4.938 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.371 9.321 3.949 1.00 0.00 N ATOM 460 CD2 HIS A 33 -19.736 9.345 6.038 1.00 0.00 C ATOM 461 CE1 HIS A 33 -20.655 10.518 4.430 1.00 0.00 C ATOM 462 NE2 HIS A 33 -20.280 10.558 5.696 1.00 0.00 N ATOM 0 H HIS A 33 -16.712 7.060 3.657 1.00 0.00 H new ATOM 0 HA HIS A 33 -17.932 7.218 6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.319 6.937 3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -20.078 6.468 5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -19.340 9.070 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.115 11.326 3.882 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -20.379 11.360 6.318 1.00 0.00 H new ATOM 471 N ILE A 34 -18.397 4.659 6.298 1.00 0.00 N ATOM 472 CA ILE A 34 -18.266 3.215 6.438 1.00 0.00 C ATOM 473 C ILE A 34 -19.580 2.510 6.120 1.00 0.00 C ATOM 474 O ILE A 34 -20.598 2.749 6.768 1.00 0.00 O ATOM 475 CB ILE A 34 -17.819 2.826 7.860 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.812 3.844 8.398 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.220 1.427 7.863 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.428 3.695 7.808 1.00 0.00 C ATOM 0 H ILE A 34 -19.024 5.094 6.975 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.504 2.897 5.726 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.692 2.827 8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.179 4.849 8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.749 3.743 9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.909 1.167 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.966 0.711 7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.356 1.400 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.767 4.449 8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.040 2.702 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.477 3.826 6.727 1.00 0.00 H new ATOM 517 N GLY A 38 -20.011 -2.581 7.590 1.00 0.00 N ATOM 518 CA GLY A 38 -18.878 -2.288 8.449 1.00 0.00 C ATOM 519 C GLY A 38 -17.562 -2.299 7.697 1.00 0.00 C ATOM 520 O GLY A 38 -17.539 -2.449 6.474 1.00 0.00 O ATOM 0 HA2 GLY A 38 -19.020 -1.312 8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.838 -3.020 9.255 1.00 0.00 H new ATOM 524 N LEU A 39 -16.464 -2.139 8.427 1.00 0.00 N ATOM 525 CA LEU A 39 -15.137 -2.129 7.820 1.00 0.00 C ATOM 526 C LEU A 39 -14.173 -3.013 8.606 1.00 0.00 C ATOM 527 O LEU A 39 -14.138 -2.969 9.836 1.00 0.00 O ATOM 528 CB LEU A 39 -14.597 -0.700 7.752 1.00 0.00 C ATOM 529 CG LEU A 39 -13.099 -0.561 7.477 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.817 -0.675 5.987 1.00 0.00 C ATOM 531 CD2 LEU A 39 -12.577 0.760 8.021 1.00 0.00 C ATOM 0 H LEU A 39 -16.466 -2.014 9.439 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.223 -2.526 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.140 -0.164 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.820 -0.203 8.696 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.579 -1.372 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.746 -0.574 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.154 -1.647 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.349 0.114 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.510 0.841 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.103 1.585 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.744 0.802 9.097 1.00 0.00 H new ATOM 543 N ASP A 40 -13.392 -3.811 7.887 1.00 0.00 N ATOM 544 CA ASP A 40 -12.425 -4.703 8.517 1.00 0.00 C ATOM 545 C ASP A 40 -11.011 -4.404 8.027 1.00 0.00 C ATOM 546 O ASP A 40 -10.596 -4.877 6.970 1.00 0.00 O ATOM 547 CB ASP A 40 -12.780 -6.162 8.226 1.00 0.00 C ATOM 548 CG ASP A 40 -14.221 -6.487 8.571 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.701 -6.012 9.622 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.867 -7.215 7.790 1.00 0.00 O ATOM 0 H ASP A 40 -13.409 -3.859 6.868 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.461 -4.536 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.606 -6.372 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.117 -6.815 8.794 1.00 0.00 H new ATOM 555 N GLY A 41 -10.277 -3.613 8.803 1.00 0.00 N ATOM 556 CA GLY A 41 -8.918 -3.263 8.432 1.00 0.00 C ATOM 557 C GLY A 41 -8.757 -3.074 6.936 1.00 0.00 C ATOM 558 O GLY A 41 -9.705 -2.702 6.245 1.00 0.00 O ATOM 0 H GLY A 41 -10.599 -3.208 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.629 -2.345 8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.239 -4.045 8.772 1.00 0.00 H new ATOM 562 N TYR A 42 -7.553 -3.328 6.436 1.00 0.00 N ATOM 563 CA TYR A 42 -7.269 -3.180 5.014 1.00 0.00 C ATOM 564 C TYR A 42 -6.209 -4.180 4.562 1.00 0.00 C ATOM 565 O TYR A 42 -5.677 -4.944 5.367 1.00 0.00 O ATOM 566 CB TYR A 42 -6.803 -1.754 4.711 1.00 0.00 C ATOM 567 CG TYR A 42 -7.411 -0.712 5.623 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.888 -0.478 6.889 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.509 0.037 5.219 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.440 0.472 7.725 1.00 0.00 C ATOM 571 CE2 TYR A 42 -9.067 0.991 6.048 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.529 1.205 7.300 1.00 0.00 C ATOM 573 OH TYR A 42 -9.083 2.153 8.130 1.00 0.00 O ATOM 0 H TYR A 42 -6.758 -3.638 6.995 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.188 -3.380 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.717 -1.710 4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.052 -1.511 3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.035 -1.049 7.225 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.934 -0.129 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.022 0.641 8.706 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.920 1.566 5.718 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.841 2.580 7.679 1.00 0.00 H new ATOM 583 N VAL A 43 -5.907 -4.168 3.268 1.00 0.00 N ATOM 584 CA VAL A 43 -4.910 -5.071 2.707 1.00 0.00 C ATOM 585 C VAL A 43 -3.956 -4.329 1.778 1.00 0.00 C ATOM 586 O VAL A 43 -4.364 -3.432 1.039 1.00 0.00 O ATOM 587 CB VAL A 43 -5.572 -6.225 1.930 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.559 -6.909 1.025 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.200 -7.223 2.891 1.00 0.00 C ATOM 0 H VAL A 43 -6.339 -3.542 2.588 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.348 -5.482 3.546 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.363 -5.812 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.044 -7.721 0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.161 -6.186 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.745 -7.310 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.663 -8.031 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.430 -7.633 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.958 -6.721 3.493 1.00 0.00 H new ATOM 599 N LEU A 44 -2.683 -4.708 1.821 1.00 0.00 N ATOM 600 CA LEU A 44 -1.669 -4.079 0.982 1.00 0.00 C ATOM 601 C LEU A 44 -0.707 -5.119 0.417 1.00 0.00 C ATOM 602 O LEU A 44 -0.255 -6.013 1.132 1.00 0.00 O ATOM 603 CB LEU A 44 -0.893 -3.033 1.784 1.00 0.00 C ATOM 604 CG LEU A 44 0.240 -2.323 1.042 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.549 -0.984 1.694 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.484 -3.199 1.004 1.00 0.00 C ATOM 0 H LEU A 44 -2.329 -5.447 2.428 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.175 -3.589 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.597 -2.280 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.475 -3.518 2.666 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.082 -2.139 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.358 -0.494 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.340 -0.353 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.851 -1.144 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.280 -2.678 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.808 -3.415 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.256 -4.133 0.491 1.00 0.00 H new ATOM 618 N GLU A 45 -0.398 -4.994 -0.870 1.00 0.00 N ATOM 619 CA GLU A 45 0.511 -5.924 -1.530 1.00 0.00 C ATOM 620 C GLU A 45 1.472 -5.181 -2.454 1.00 0.00 C ATOM 621 O GLU A 45 1.195 -4.062 -2.886 1.00 0.00 O ATOM 622 CB GLU A 45 -0.277 -6.965 -2.326 1.00 0.00 C ATOM 623 CG GLU A 45 -1.466 -7.536 -1.572 1.00 0.00 C ATOM 624 CD GLU A 45 -2.579 -7.993 -2.496 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.560 -9.172 -2.908 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.467 -7.172 -2.806 1.00 0.00 O ATOM 0 H GLU A 45 -0.763 -4.259 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 45 1.093 -6.431 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.629 -6.511 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.392 -7.780 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.135 -8.378 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.854 -6.781 -0.888 1.00 0.00 H new ATOM 633 N TYR A 46 2.602 -5.812 -2.753 1.00 0.00 N ATOM 634 CA TYR A 46 3.606 -5.211 -3.623 1.00 0.00 C ATOM 635 C TYR A 46 4.158 -6.237 -4.608 1.00 0.00 C ATOM 636 O TYR A 46 4.500 -7.358 -4.228 1.00 0.00 O ATOM 637 CB TYR A 46 4.746 -4.622 -2.790 1.00 0.00 C ATOM 638 CG TYR A 46 5.790 -5.639 -2.388 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.551 -6.539 -1.356 1.00 0.00 C ATOM 640 CD2 TYR A 46 7.015 -5.701 -3.041 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.503 -7.469 -0.985 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.972 -6.629 -2.677 1.00 0.00 C ATOM 643 CZ TYR A 46 7.711 -7.510 -1.648 1.00 0.00 C ATOM 644 OH TYR A 46 8.661 -8.437 -1.282 1.00 0.00 O ATOM 0 H TYR A 46 2.846 -6.740 -2.406 1.00 0.00 H new ATOM 0 HA TYR A 46 3.128 -4.412 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.226 -3.826 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.330 -4.166 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.605 -6.511 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.223 -5.012 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.302 -8.160 -0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.919 -6.664 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 46 9.454 -8.334 -1.848 1.00 0.00 H new ATOM 654 N CYS A 47 4.243 -5.845 -5.874 1.00 0.00 N ATOM 655 CA CYS A 47 4.753 -6.730 -6.916 1.00 0.00 C ATOM 656 C CYS A 47 6.183 -6.357 -7.294 1.00 0.00 C ATOM 657 O CYS A 47 6.474 -5.199 -7.596 1.00 0.00 O ATOM 658 CB CYS A 47 3.854 -6.669 -8.151 1.00 0.00 C ATOM 659 SG CYS A 47 4.664 -7.192 -9.681 1.00 0.00 S ATOM 0 H CYS A 47 3.966 -4.921 -6.204 1.00 0.00 H new ATOM 0 HA CYS A 47 4.753 -7.748 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.980 -7.298 -7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.493 -5.648 -8.274 1.00 0.00 H new ATOM 0 HG CYS A 47 3.823 -7.107 -10.668 1.00 0.00 H new ATOM 665 N PHE A 48 7.072 -7.344 -7.273 1.00 0.00 N ATOM 666 CA PHE A 48 8.472 -7.119 -7.611 1.00 0.00 C ATOM 667 C PHE A 48 8.698 -7.254 -9.114 1.00 0.00 C ATOM 668 O PHE A 48 8.104 -8.112 -9.766 1.00 0.00 O ATOM 669 CB PHE A 48 9.366 -8.108 -6.859 1.00 0.00 C ATOM 670 CG PHE A 48 10.743 -7.579 -6.579 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.925 -6.498 -5.731 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.856 -8.162 -7.163 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.191 -6.008 -5.471 1.00 0.00 C ATOM 674 CE2 PHE A 48 13.124 -7.677 -6.907 1.00 0.00 C ATOM 675 CZ PHE A 48 13.292 -6.598 -6.060 1.00 0.00 C ATOM 0 H PHE A 48 6.848 -8.308 -7.025 1.00 0.00 H new ATOM 0 HA PHE A 48 8.733 -6.104 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.888 -8.372 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.450 -9.025 -7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.067 -6.033 -5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.731 -9.005 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.319 -5.165 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.983 -8.141 -7.368 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.282 -6.217 -5.859 1.00 0.00 H new ATOM 685 N GLU A 49 9.559 -6.399 -9.656 1.00 0.00 N ATOM 686 CA GLU A 49 9.861 -6.422 -11.083 1.00 0.00 C ATOM 687 C GLU A 49 10.489 -7.753 -11.484 1.00 0.00 C ATOM 688 O GLU A 49 10.370 -8.188 -12.629 1.00 0.00 O ATOM 689 CB GLU A 49 10.803 -5.271 -11.445 1.00 0.00 C ATOM 690 CG GLU A 49 12.200 -5.422 -10.866 1.00 0.00 C ATOM 691 CD GLU A 49 12.909 -4.092 -10.699 1.00 0.00 C ATOM 692 OE1 GLU A 49 12.972 -3.326 -11.683 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.401 -3.818 -9.585 1.00 0.00 O ATOM 0 H GLU A 49 10.059 -5.683 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 49 8.925 -6.302 -11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.875 -5.199 -12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.372 -4.335 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.136 -5.920 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.792 -6.066 -11.517 1.00 0.00 H new ATOM 700 N GLY A 50 11.159 -8.396 -10.533 1.00 0.00 N ATOM 701 CA GLY A 50 11.797 -9.671 -10.806 1.00 0.00 C ATOM 702 C GLY A 50 10.802 -10.812 -10.880 1.00 0.00 C ATOM 703 O GLY A 50 11.106 -11.878 -11.417 1.00 0.00 O ATOM 0 H GLY A 50 11.272 -8.057 -9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.342 -9.607 -11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.530 -9.882 -10.027 1.00 0.00 H new ATOM 707 N THR A 51 9.609 -10.592 -10.337 1.00 0.00 N ATOM 708 CA THR A 51 8.567 -11.611 -10.341 1.00 0.00 C ATOM 709 C THR A 51 7.304 -11.104 -11.029 1.00 0.00 C ATOM 710 O THR A 51 6.955 -9.930 -10.917 1.00 0.00 O ATOM 711 CB THR A 51 8.214 -12.058 -8.910 1.00 0.00 C ATOM 712 OG1 THR A 51 7.755 -10.938 -8.145 1.00 0.00 O ATOM 713 CG2 THR A 51 9.419 -12.686 -8.227 1.00 0.00 C ATOM 0 H THR A 51 9.340 -9.716 -9.888 1.00 0.00 H new ATOM 0 HA THR A 51 8.961 -12.464 -10.894 1.00 0.00 H new ATOM 0 HB THR A 51 7.421 -12.804 -8.971 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.531 -11.232 -7.237 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.146 -12.994 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.747 -13.556 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.229 -11.959 -8.177 1.00 0.00 H new ATOM 721 N GLU A 52 6.624 -11.998 -11.740 1.00 0.00 N ATOM 722 CA GLU A 52 5.400 -11.639 -12.446 1.00 0.00 C ATOM 723 C GLU A 52 4.175 -11.878 -11.567 1.00 0.00 C ATOM 724 O GLU A 52 3.080 -12.135 -12.067 1.00 0.00 O ATOM 725 CB GLU A 52 5.277 -12.445 -13.741 1.00 0.00 C ATOM 726 CG GLU A 52 4.513 -11.721 -14.838 1.00 0.00 C ATOM 727 CD GLU A 52 4.909 -12.184 -16.227 1.00 0.00 C ATOM 728 OE1 GLU A 52 6.118 -12.153 -16.540 1.00 0.00 O ATOM 729 OE2 GLU A 52 4.011 -12.576 -17.000 1.00 0.00 O ATOM 0 H GLU A 52 6.900 -12.975 -11.842 1.00 0.00 H new ATOM 0 HA GLU A 52 5.449 -10.578 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.276 -12.687 -14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.778 -13.390 -13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.444 -11.880 -14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.690 -10.649 -14.752 1.00 0.00 H new ATOM 736 N ASP A 53 4.370 -11.790 -10.256 1.00 0.00 N ATOM 737 CA ASP A 53 3.282 -11.996 -9.307 1.00 0.00 C ATOM 738 C ASP A 53 3.353 -10.980 -8.171 1.00 0.00 C ATOM 739 O ASP A 53 4.429 -10.488 -7.832 1.00 0.00 O ATOM 740 CB ASP A 53 3.332 -13.416 -8.741 1.00 0.00 C ATOM 741 CG ASP A 53 4.701 -13.775 -8.197 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.097 -13.199 -7.163 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.376 -14.631 -8.806 1.00 0.00 O ATOM 0 H ASP A 53 5.270 -11.578 -9.826 1.00 0.00 H new ATOM 0 HA ASP A 53 2.340 -11.858 -9.837 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.592 -13.514 -7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.057 -14.125 -9.522 1.00 0.00 H new ATOM 748 N TRP A 54 2.200 -10.671 -7.588 1.00 0.00 N ATOM 749 CA TRP A 54 2.132 -9.713 -6.491 1.00 0.00 C ATOM 750 C TRP A 54 2.461 -10.383 -5.161 1.00 0.00 C ATOM 751 O TRP A 54 1.805 -11.345 -4.762 1.00 0.00 O ATOM 752 CB TRP A 54 0.741 -9.079 -6.426 1.00 0.00 C ATOM 753 CG TRP A 54 0.474 -8.118 -7.545 1.00 0.00 C ATOM 754 CD1 TRP A 54 0.028 -8.424 -8.799 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.637 -6.696 -7.510 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.095 -7.277 -9.546 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.271 -6.204 -8.778 1.00 0.00 C ATOM 758 CE3 TRP A 54 1.054 -5.791 -6.531 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.312 -4.848 -9.090 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.094 -4.445 -6.842 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.725 -3.983 -8.112 1.00 0.00 C ATOM 0 H TRP A 54 1.300 -11.070 -7.857 1.00 0.00 H new ATOM 0 HA TRP A 54 2.871 -8.934 -6.676 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.011 -9.868 -6.446 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.631 -8.558 -5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.195 -9.420 -9.152 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.408 -7.232 -10.516 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.340 -6.137 -5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.028 -4.491 -10.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.415 -3.737 -6.093 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.767 -2.925 -8.324 1.00 0.00 H new ATOM 772 N ILE A 55 3.480 -9.869 -4.481 1.00 0.00 N ATOM 773 CA ILE A 55 3.894 -10.418 -3.196 1.00 0.00 C ATOM 774 C ILE A 55 3.162 -9.735 -2.045 1.00 0.00 C ATOM 775 O ILE A 55 3.507 -8.622 -1.649 1.00 0.00 O ATOM 776 CB ILE A 55 5.412 -10.270 -2.983 1.00 0.00 C ATOM 777 CG1 ILE A 55 6.177 -10.953 -4.119 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.818 -10.854 -1.639 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.562 -10.388 -4.340 1.00 0.00 C ATOM 0 H ILE A 55 4.034 -9.073 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 55 3.639 -11.478 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 55 5.663 -9.209 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.258 -12.018 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.603 -10.858 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.894 -10.742 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.295 -10.328 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.557 -11.912 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.045 -10.920 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.488 -9.329 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.153 -10.507 -3.432 1.00 0.00 H new ATOM 791 N VAL A 56 2.150 -10.411 -1.510 1.00 0.00 N ATOM 792 CA VAL A 56 1.371 -9.872 -0.402 1.00 0.00 C ATOM 793 C VAL A 56 2.267 -9.523 0.781 1.00 0.00 C ATOM 794 O VAL A 56 3.014 -10.366 1.277 1.00 0.00 O ATOM 795 CB VAL A 56 0.291 -10.867 0.062 1.00 0.00 C ATOM 796 CG1 VAL A 56 -0.477 -10.307 1.249 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.653 -11.200 -1.084 1.00 0.00 C ATOM 0 H VAL A 56 1.851 -11.333 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 56 0.887 -8.966 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 56 0.782 -11.787 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.236 -11.024 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.211 -10.123 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.958 -9.372 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.410 -11.904 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.138 -10.288 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.088 -11.646 -1.903 1.00 0.00 H new ATOM 807 N ALA A 57 2.187 -8.274 1.229 1.00 0.00 N ATOM 808 CA ALA A 57 2.988 -7.814 2.357 1.00 0.00 C ATOM 809 C ALA A 57 2.318 -8.157 3.683 1.00 0.00 C ATOM 810 O ALA A 57 2.923 -8.788 4.549 1.00 0.00 O ATOM 811 CB ALA A 57 3.228 -6.315 2.257 1.00 0.00 C ATOM 0 H ALA A 57 1.576 -7.563 0.828 1.00 0.00 H new ATOM 0 HA ALA A 57 3.949 -8.328 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.827 -5.985 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.757 -6.092 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.272 -5.792 2.263 1.00 0.00 H new ATOM 817 N ASN A 58 1.067 -7.737 3.835 1.00 0.00 N ATOM 818 CA ASN A 58 0.315 -7.999 5.057 1.00 0.00 C ATOM 819 C ASN A 58 -0.133 -9.456 5.118 1.00 0.00 C ATOM 820 O ASN A 58 -0.382 -10.084 4.089 1.00 0.00 O ATOM 821 CB ASN A 58 -0.902 -7.075 5.139 1.00 0.00 C ATOM 822 CG ASN A 58 -2.057 -7.707 5.892 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.893 -8.188 7.013 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.233 -7.710 5.276 1.00 0.00 N ATOM 0 H ASN A 58 0.552 -7.214 3.127 1.00 0.00 H new ATOM 0 HA ASN A 58 0.969 -7.803 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.616 -6.145 5.631 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.227 -6.816 4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.047 -8.122 5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.323 -7.300 4.346 1.00 0.00 H new ATOM 831 N LYS A 59 -0.234 -9.987 6.332 1.00 0.00 N ATOM 832 CA LYS A 59 -0.654 -11.369 6.529 1.00 0.00 C ATOM 833 C LYS A 59 -2.173 -11.470 6.612 1.00 0.00 C ATOM 834 O LYS A 59 -2.813 -12.066 5.745 1.00 0.00 O ATOM 835 CB LYS A 59 -0.024 -11.938 7.804 1.00 0.00 C ATOM 836 CG LYS A 59 1.352 -12.542 7.585 1.00 0.00 C ATOM 837 CD LYS A 59 2.100 -12.714 8.896 1.00 0.00 C ATOM 838 CE LYS A 59 1.808 -14.065 9.532 1.00 0.00 C ATOM 839 NZ LYS A 59 2.218 -14.105 10.963 1.00 0.00 N ATOM 0 H LYS A 59 -0.031 -9.481 7.194 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.315 -11.951 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.051 -11.145 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.685 -12.700 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.252 -13.509 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.929 -11.903 6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.171 -12.618 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.817 -11.918 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.742 -14.281 9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.333 -14.846 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.002 -15.042 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.240 -13.925 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.699 -13.377 11.493 1.00 0.00 H new ATOM 853 N ASP A 60 -2.745 -10.883 7.658 1.00 0.00 N ATOM 854 CA ASP A 60 -4.190 -10.905 7.852 1.00 0.00 C ATOM 855 C ASP A 60 -4.811 -9.568 7.459 1.00 0.00 C ATOM 856 O ASP A 60 -5.542 -9.477 6.472 1.00 0.00 O ATOM 857 CB ASP A 60 -4.526 -11.229 9.308 1.00 0.00 C ATOM 858 CG ASP A 60 -4.118 -12.636 9.697 1.00 0.00 C ATOM 859 OD1 ASP A 60 -3.043 -13.088 9.249 1.00 0.00 O ATOM 860 OD2 ASP A 60 -4.873 -13.286 10.450 1.00 0.00 O ATOM 0 H ASP A 60 -2.230 -10.386 8.385 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.606 -11.682 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.025 -10.515 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.598 -11.108 9.466 1.00 0.00 H new ATOM 865 N LEU A 61 -4.516 -8.533 8.238 1.00 0.00 N ATOM 866 CA LEU A 61 -5.046 -7.200 7.973 1.00 0.00 C ATOM 867 C LEU A 61 -4.143 -6.126 8.572 1.00 0.00 C ATOM 868 O LEU A 61 -3.354 -6.399 9.476 1.00 0.00 O ATOM 869 CB LEU A 61 -6.460 -7.069 8.542 1.00 0.00 C ATOM 870 CG LEU A 61 -7.539 -7.908 7.857 1.00 0.00 C ATOM 871 CD1 LEU A 61 -8.855 -7.806 8.613 1.00 0.00 C ATOM 872 CD2 LEU A 61 -7.718 -7.470 6.411 1.00 0.00 C ATOM 0 H LEU A 61 -3.913 -8.591 9.058 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.081 -7.058 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.432 -7.341 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.755 -6.021 8.490 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.220 -8.950 7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.611 -8.410 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.719 -8.169 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.180 -6.766 8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.490 -8.078 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.014 -6.421 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.778 -7.596 5.874 1.00 0.00 H new ATOM 884 N ILE A 62 -4.267 -4.905 8.062 1.00 0.00 N ATOM 885 CA ILE A 62 -3.465 -3.790 8.549 1.00 0.00 C ATOM 886 C ILE A 62 -4.287 -2.873 9.449 1.00 0.00 C ATOM 887 O ILE A 62 -5.360 -2.407 9.065 1.00 0.00 O ATOM 888 CB ILE A 62 -2.886 -2.963 7.386 1.00 0.00 C ATOM 889 CG1 ILE A 62 -1.984 -3.836 6.511 1.00 0.00 C ATOM 890 CG2 ILE A 62 -2.115 -1.765 7.920 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.809 -3.305 5.105 1.00 0.00 C ATOM 0 H ILE A 62 -4.915 -4.663 7.312 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.644 -4.219 9.124 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.710 -2.597 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.005 -3.921 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.402 -4.841 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.712 -1.191 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.783 -1.134 8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.297 -2.111 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.158 -3.974 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.781 -3.246 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.362 -2.312 5.144 1.00 0.00 H new ATOM 903 N ASP A 63 -3.775 -2.618 10.649 1.00 0.00 N ATOM 904 CA ASP A 63 -4.460 -1.754 11.604 1.00 0.00 C ATOM 905 C ASP A 63 -3.737 -0.418 11.744 1.00 0.00 C ATOM 906 O ASP A 63 -3.644 0.138 12.838 1.00 0.00 O ATOM 907 CB ASP A 63 -4.557 -2.441 12.967 1.00 0.00 C ATOM 908 CG ASP A 63 -5.384 -1.646 13.958 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.223 -0.836 13.514 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.191 -1.834 15.178 1.00 0.00 O ATOM 0 H ASP A 63 -2.889 -2.997 10.983 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.466 -1.565 11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.997 -3.430 12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.555 -2.587 13.369 1.00 0.00 H new ATOM 915 N LYS A 64 -3.225 0.091 10.628 1.00 0.00 N ATOM 916 CA LYS A 64 -2.510 1.362 10.625 1.00 0.00 C ATOM 917 C LYS A 64 -2.671 2.074 9.286 1.00 0.00 C ATOM 918 O LYS A 64 -2.750 1.434 8.236 1.00 0.00 O ATOM 919 CB LYS A 64 -1.025 1.136 10.919 1.00 0.00 C ATOM 920 CG LYS A 64 -0.497 -0.189 10.398 1.00 0.00 C ATOM 921 CD LYS A 64 0.876 -0.506 10.968 1.00 0.00 C ATOM 922 CE LYS A 64 1.453 -1.775 10.360 1.00 0.00 C ATOM 923 NZ LYS A 64 0.760 -2.994 10.860 1.00 0.00 N ATOM 0 H LYS A 64 -3.292 -0.357 9.714 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.937 1.992 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.448 1.947 10.475 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.865 1.183 11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.193 -0.987 10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.442 -0.157 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.551 0.329 10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.805 -0.620 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.368 -1.729 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.516 -1.839 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.182 -3.838 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.862 -3.052 11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.249 -2.945 10.614 1.00 0.00 H new ATOM 937 N THR A 65 -2.718 3.402 9.328 1.00 0.00 N ATOM 938 CA THR A 65 -2.870 4.200 8.118 1.00 0.00 C ATOM 939 C THR A 65 -1.557 4.284 7.347 1.00 0.00 C ATOM 940 O THR A 65 -1.469 4.963 6.324 1.00 0.00 O ATOM 941 CB THR A 65 -3.353 5.626 8.443 1.00 0.00 C ATOM 942 OG1 THR A 65 -2.588 6.168 9.525 1.00 0.00 O ATOM 943 CG2 THR A 65 -4.830 5.627 8.809 1.00 0.00 C ATOM 0 H THR A 65 -2.653 3.947 10.187 1.00 0.00 H new ATOM 0 HA THR A 65 -3.619 3.702 7.502 1.00 0.00 H new ATOM 0 HB THR A 65 -3.214 6.244 7.556 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.900 7.075 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.148 6.645 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.412 5.242 7.972 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.989 4.995 9.683 1.00 0.00 H new ATOM 951 N LYS A 66 -0.539 3.590 7.844 1.00 0.00 N ATOM 952 CA LYS A 66 0.769 3.583 7.201 1.00 0.00 C ATOM 953 C LYS A 66 1.406 2.200 7.277 1.00 0.00 C ATOM 954 O LYS A 66 1.339 1.530 8.309 1.00 0.00 O ATOM 955 CB LYS A 66 1.688 4.617 7.857 1.00 0.00 C ATOM 956 CG LYS A 66 1.605 5.994 7.223 1.00 0.00 C ATOM 957 CD LYS A 66 2.602 6.956 7.847 1.00 0.00 C ATOM 958 CE LYS A 66 2.447 8.361 7.285 1.00 0.00 C ATOM 959 NZ LYS A 66 3.078 9.383 8.166 1.00 0.00 N ATOM 0 H LYS A 66 -0.595 3.025 8.691 1.00 0.00 H new ATOM 0 HA LYS A 66 0.631 3.842 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.434 4.697 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.717 4.262 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.795 5.915 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.596 6.389 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.461 6.978 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.616 6.600 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.898 8.408 6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.388 8.589 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.356 10.062 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.499 8.915 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.819 9.886 7.638 1.00 0.00 H new ATOM 973 N PHE A 67 2.026 1.777 6.180 1.00 0.00 N ATOM 974 CA PHE A 67 2.676 0.473 6.124 1.00 0.00 C ATOM 975 C PHE A 67 4.108 0.600 5.612 1.00 0.00 C ATOM 976 O PHE A 67 4.428 1.513 4.849 1.00 0.00 O ATOM 977 CB PHE A 67 1.883 -0.477 5.223 1.00 0.00 C ATOM 978 CG PHE A 67 2.388 -1.891 5.253 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.550 -2.241 4.583 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.700 -2.872 5.949 1.00 0.00 C ATOM 981 CE1 PHE A 67 4.017 -3.541 4.609 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.162 -4.174 5.978 1.00 0.00 C ATOM 983 CZ PHE A 67 3.322 -4.509 5.306 1.00 0.00 C ATOM 0 H PHE A 67 2.092 2.318 5.318 1.00 0.00 H new ATOM 0 HA PHE A 67 2.705 0.066 7.135 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.837 -0.467 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.919 -0.108 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.097 -1.489 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.792 -2.616 6.475 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.925 -3.800 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.617 -4.929 6.525 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.684 -5.526 5.326 1.00 0.00 H new ATOM 993 N THR A 68 4.967 -0.321 6.037 1.00 0.00 N ATOM 994 CA THR A 68 6.364 -0.312 5.625 1.00 0.00 C ATOM 995 C THR A 68 6.825 -1.705 5.213 1.00 0.00 C ATOM 996 O THR A 68 6.832 -2.632 6.024 1.00 0.00 O ATOM 997 CB THR A 68 7.279 0.207 6.750 1.00 0.00 C ATOM 998 OG1 THR A 68 6.964 1.573 7.047 1.00 0.00 O ATOM 999 CG2 THR A 68 8.743 0.094 6.353 1.00 0.00 C ATOM 0 H THR A 68 4.719 -1.083 6.667 1.00 0.00 H new ATOM 0 HA THR A 68 6.436 0.360 4.769 1.00 0.00 H new ATOM 0 HB THR A 68 7.111 -0.405 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.549 1.895 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.370 0.467 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.987 -0.950 6.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.923 0.684 5.455 1.00 0.00 H new ATOM 1007 N ILE A 69 7.210 -1.847 3.949 1.00 0.00 N ATOM 1008 CA ILE A 69 7.674 -3.128 3.431 1.00 0.00 C ATOM 1009 C ILE A 69 9.120 -3.393 3.837 1.00 0.00 C ATOM 1010 O ILE A 69 10.047 -2.768 3.321 1.00 0.00 O ATOM 1011 CB ILE A 69 7.565 -3.187 1.896 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.132 -2.882 1.453 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.003 -4.552 1.386 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.046 -2.244 0.084 1.00 0.00 C ATOM 0 H ILE A 69 7.210 -1.091 3.265 1.00 0.00 H new ATOM 0 HA ILE A 69 7.031 -3.895 3.863 1.00 0.00 H new ATOM 0 HB ILE A 69 8.226 -2.432 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.556 -3.808 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.668 -2.220 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.920 -4.578 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.038 -4.734 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.365 -5.323 1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.002 -2.056 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.594 -1.302 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.481 -2.914 -0.658 1.00 0.00 H new ATOM 1026 N THR A 70 9.306 -4.328 4.764 1.00 0.00 N ATOM 1027 CA THR A 70 10.639 -4.677 5.239 1.00 0.00 C ATOM 1028 C THR A 70 11.306 -5.686 4.312 1.00 0.00 C ATOM 1029 O THR A 70 10.721 -6.713 3.971 1.00 0.00 O ATOM 1030 CB THR A 70 10.592 -5.261 6.664 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.727 -6.401 6.699 1.00 0.00 O ATOM 1032 CG2 THR A 70 10.105 -4.218 7.660 1.00 0.00 C ATOM 0 H THR A 70 8.551 -4.857 5.200 1.00 0.00 H new ATOM 0 HA THR A 70 11.222 -3.756 5.250 1.00 0.00 H new ATOM 0 HB THR A 70 11.602 -5.564 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.691 -6.811 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.080 -4.653 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.782 -3.364 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.104 -3.889 7.382 1.00 0.00 H new ATOM 1040 N GLY A 71 12.537 -5.387 3.906 1.00 0.00 N ATOM 1041 CA GLY A 71 13.264 -6.278 3.022 1.00 0.00 C ATOM 1042 C GLY A 71 13.148 -5.872 1.566 1.00 0.00 C ATOM 1043 O GLY A 71 12.483 -6.545 0.777 1.00 0.00 O ATOM 0 H GLY A 71 13.043 -4.543 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.315 -6.292 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.887 -7.293 3.144 1.00 0.00 H new ATOM 1047 N LEU A 72 13.794 -4.767 1.208 1.00 0.00 N ATOM 1048 CA LEU A 72 13.759 -4.271 -0.163 1.00 0.00 C ATOM 1049 C LEU A 72 15.156 -3.888 -0.639 1.00 0.00 C ATOM 1050 O LEU A 72 15.861 -3.101 -0.006 1.00 0.00 O ATOM 1051 CB LEU A 72 12.824 -3.064 -0.266 1.00 0.00 C ATOM 1052 CG LEU A 72 11.341 -3.379 -0.460 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.515 -2.102 -0.427 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.121 -4.125 -1.768 1.00 0.00 C ATOM 0 H LEU A 72 14.348 -4.198 1.848 1.00 0.00 H new ATOM 0 HA LEU A 72 13.383 -5.070 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.933 -2.467 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.155 -2.443 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 72 11.015 -4.019 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.462 -2.346 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.648 -1.607 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.842 -1.436 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.060 -4.341 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.464 -3.510 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.682 -5.059 -1.753 1.00 0.00 H new ATOM 1066 N PRO A 73 15.568 -4.454 -1.783 1.00 0.00 N ATOM 1067 CA PRO A 73 16.884 -4.185 -2.371 1.00 0.00 C ATOM 1068 C PRO A 73 16.994 -2.767 -2.920 1.00 0.00 C ATOM 1069 O PRO A 73 16.104 -2.292 -3.627 1.00 0.00 O ATOM 1070 CB PRO A 73 16.980 -5.207 -3.507 1.00 0.00 C ATOM 1071 CG PRO A 73 15.566 -5.506 -3.868 1.00 0.00 C ATOM 1072 CD PRO A 73 14.781 -5.401 -2.590 1.00 0.00 C ATOM 0 HA PRO A 73 17.684 -4.268 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.529 -4.803 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.506 -6.107 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.196 -4.801 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.476 -6.502 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.770 -5.034 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.686 -6.368 -2.096 1.00 0.00 H new ATOM 1080 N THR A 74 18.092 -2.093 -2.591 1.00 0.00 N ATOM 1081 CA THR A 74 18.318 -0.729 -3.050 1.00 0.00 C ATOM 1082 C THR A 74 18.316 -0.654 -4.572 1.00 0.00 C ATOM 1083 O THR A 74 18.802 -1.560 -5.249 1.00 0.00 O ATOM 1084 CB THR A 74 19.654 -0.172 -2.522 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.660 -0.190 -1.090 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.882 1.248 -3.017 1.00 0.00 C ATOM 0 H THR A 74 18.839 -2.471 -2.008 1.00 0.00 H new ATOM 0 HA THR A 74 17.500 -0.124 -2.658 1.00 0.00 H new ATOM 0 HB THR A 74 20.459 -0.804 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.513 0.164 -0.762 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.831 1.620 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.906 1.254 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.073 1.889 -2.668 1.00 0.00 H new ATOM 1094 N ASP A 75 17.767 0.432 -5.106 1.00 0.00 N ATOM 1095 CA ASP A 75 17.703 0.627 -6.549 1.00 0.00 C ATOM 1096 C ASP A 75 16.707 -0.339 -7.184 1.00 0.00 C ATOM 1097 O ASP A 75 16.866 -0.741 -8.337 1.00 0.00 O ATOM 1098 CB ASP A 75 19.087 0.435 -7.173 1.00 0.00 C ATOM 1099 CG ASP A 75 20.184 1.091 -6.359 1.00 0.00 C ATOM 1100 OD1 ASP A 75 20.268 2.338 -6.372 1.00 0.00 O ATOM 1101 OD2 ASP A 75 20.959 0.359 -5.709 1.00 0.00 O ATOM 0 H ASP A 75 17.360 1.191 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 75 17.365 1.646 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.296 -0.631 -7.267 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.089 0.850 -8.181 1.00 0.00 H new ATOM 1106 N ALA A 76 15.682 -0.708 -6.424 1.00 0.00 N ATOM 1107 CA ALA A 76 14.660 -1.626 -6.912 1.00 0.00 C ATOM 1108 C ALA A 76 13.310 -0.928 -7.037 1.00 0.00 C ATOM 1109 O ALA A 76 12.944 -0.106 -6.197 1.00 0.00 O ATOM 1110 CB ALA A 76 14.550 -2.832 -5.991 1.00 0.00 C ATOM 0 H ALA A 76 15.537 -0.385 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 76 14.957 -1.967 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.783 -3.509 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.507 -3.352 -5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.281 -2.501 -4.988 1.00 0.00 H new ATOM 1116 N LYS A 77 12.573 -1.260 -8.091 1.00 0.00 N ATOM 1117 CA LYS A 77 11.262 -0.666 -8.326 1.00 0.00 C ATOM 1118 C LYS A 77 10.151 -1.678 -8.066 1.00 0.00 C ATOM 1119 O LYS A 77 10.246 -2.836 -8.473 1.00 0.00 O ATOM 1120 CB LYS A 77 11.166 -0.145 -9.762 1.00 0.00 C ATOM 1121 CG LYS A 77 12.069 1.043 -10.040 1.00 0.00 C ATOM 1122 CD LYS A 77 12.070 1.411 -11.515 1.00 0.00 C ATOM 1123 CE LYS A 77 12.310 2.899 -11.718 1.00 0.00 C ATOM 1124 NZ LYS A 77 11.062 3.692 -11.539 1.00 0.00 N ATOM 0 H LYS A 77 12.861 -1.938 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 77 11.139 0.167 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.419 -0.952 -10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.134 0.138 -9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.738 1.898 -9.451 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.085 0.811 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.843 0.843 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.116 1.131 -11.962 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.064 3.245 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.708 3.069 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.268 4.701 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.350 3.380 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.695 3.550 -10.576 1.00 0.00 H new ATOM 1138 N ILE A 78 9.099 -1.234 -7.386 1.00 0.00 N ATOM 1139 CA ILE A 78 7.970 -2.101 -7.075 1.00 0.00 C ATOM 1140 C ILE A 78 6.650 -1.345 -7.185 1.00 0.00 C ATOM 1141 O ILE A 78 6.618 -0.116 -7.119 1.00 0.00 O ATOM 1142 CB ILE A 78 8.091 -2.696 -5.659 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.093 -1.581 -4.612 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.352 -3.539 -5.546 1.00 0.00 C ATOM 1145 CD1 ILE A 78 6.712 -1.219 -4.111 1.00 0.00 C ATOM 0 H ILE A 78 9.005 -0.279 -7.040 1.00 0.00 H new ATOM 0 HA ILE A 78 7.984 -2.911 -7.804 1.00 0.00 H new ATOM 0 HB ILE A 78 7.230 -3.339 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.708 -1.889 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.560 -0.693 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.424 -3.953 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.312 -4.352 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.225 -2.917 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.791 -0.422 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.099 -0.880 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.250 -2.094 -3.654 1.00 0.00 H new ATOM 1157 N PHE A 79 5.561 -2.088 -7.351 1.00 0.00 N ATOM 1158 CA PHE A 79 4.237 -1.489 -7.469 1.00 0.00 C ATOM 1159 C PHE A 79 3.445 -1.659 -6.176 1.00 0.00 C ATOM 1160 O PHE A 79 3.385 -2.751 -5.611 1.00 0.00 O ATOM 1161 CB PHE A 79 3.472 -2.118 -8.636 1.00 0.00 C ATOM 1162 CG PHE A 79 4.183 -1.999 -9.953 1.00 0.00 C ATOM 1163 CD1 PHE A 79 5.218 -2.861 -10.277 1.00 0.00 C ATOM 1164 CD2 PHE A 79 3.817 -1.025 -10.868 1.00 0.00 C ATOM 1165 CE1 PHE A 79 5.875 -2.753 -11.488 1.00 0.00 C ATOM 1166 CE2 PHE A 79 4.470 -0.912 -12.081 1.00 0.00 C ATOM 1167 CZ PHE A 79 5.500 -1.778 -12.392 1.00 0.00 C ATOM 0 H PHE A 79 5.569 -3.106 -7.407 1.00 0.00 H new ATOM 0 HA PHE A 79 4.364 -0.423 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.298 -3.172 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.494 -1.644 -8.716 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.515 -3.626 -9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.012 -0.346 -10.631 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.681 -3.431 -11.728 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.175 -0.148 -12.785 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.011 -1.693 -13.340 1.00 0.00 H new ATOM 1177 N VAL A 80 2.839 -0.571 -5.712 1.00 0.00 N ATOM 1178 CA VAL A 80 2.050 -0.599 -4.486 1.00 0.00 C ATOM 1179 C VAL A 80 0.569 -0.392 -4.781 1.00 0.00 C ATOM 1180 O VAL A 80 0.193 0.519 -5.519 1.00 0.00 O ATOM 1181 CB VAL A 80 2.520 0.480 -3.493 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.569 0.566 -2.308 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.939 0.194 -3.027 1.00 0.00 C ATOM 0 H VAL A 80 2.879 0.341 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 80 2.194 -1.582 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 80 2.517 1.444 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.917 1.334 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.570 0.822 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.538 -0.396 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.254 0.967 -2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.971 -0.778 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.610 0.188 -3.886 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.269 -1.244 -4.199 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.710 -1.156 -4.400 1.00 0.00 C ATOM 1195 C ARG A 81 -2.461 -1.581 -3.141 1.00 0.00 C ATOM 1196 O ARG A 81 -2.214 -2.653 -2.590 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.136 -2.031 -5.581 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.993 -3.521 -5.318 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.451 -4.344 -6.512 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.461 -5.775 -6.219 1.00 0.00 N ATOM 1201 CZ ARG A 81 -3.050 -6.679 -6.993 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.673 -6.303 -8.101 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -3.016 -7.963 -6.660 1.00 0.00 N ATOM 0 H ARG A 81 0.026 -2.003 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.959 -0.117 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.175 -1.812 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.538 -1.766 -6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.952 -3.753 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.578 -3.794 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.451 -4.028 -6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.792 -4.152 -7.359 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.990 -6.097 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.701 -5.317 -8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.125 -7.000 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.537 -8.257 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.469 -8.656 -7.255 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.379 -0.731 -2.692 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.167 -1.017 -1.499 1.00 0.00 C ATOM 1219 C VAL A 82 -5.660 -0.914 -1.788 1.00 0.00 C ATOM 1220 O VAL A 82 -6.081 -0.178 -2.681 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.811 -0.059 -0.347 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.345 -0.204 0.035 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.130 1.378 -0.732 1.00 0.00 C ATOM 0 H VAL A 82 -3.595 0.161 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.927 -2.037 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.416 -0.322 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.112 0.481 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.152 -1.228 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.720 0.031 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.872 2.042 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.553 1.655 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.194 1.468 -0.952 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.458 -1.656 -1.027 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.906 -1.647 -1.199 1.00 0.00 C ATOM 1235 C LYS A 83 -8.613 -1.844 0.137 1.00 0.00 C ATOM 1236 O LYS A 83 -7.988 -2.203 1.135 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.330 -2.743 -2.180 1.00 0.00 C ATOM 1238 CG LYS A 83 -8.644 -4.069 -1.510 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.395 -4.710 -0.928 1.00 0.00 C ATOM 1240 CE LYS A 83 -6.525 -5.323 -2.015 1.00 0.00 C ATOM 1241 NZ LYS A 83 -6.966 -6.700 -2.368 1.00 0.00 N ATOM 0 H LYS A 83 -6.126 -2.272 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.194 -0.676 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.208 -2.406 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.535 -2.893 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.377 -3.913 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.097 -4.745 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.822 -3.962 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.680 -5.480 -0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.556 -4.693 -2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.488 -5.349 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.348 -7.082 -3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.912 -7.308 -1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.947 -6.673 -2.713 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.921 -1.608 0.149 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.714 -1.763 1.363 1.00 0.00 C ATOM 1257 C ALA A 84 -11.329 -3.156 1.442 1.00 0.00 C ATOM 1258 O ALA A 84 -12.093 -3.560 0.565 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.801 -0.700 1.422 1.00 0.00 C ATOM 0 H ALA A 84 -10.454 -1.309 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.051 -1.638 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.385 -0.827 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.343 0.289 1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.454 -0.799 0.555 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.991 -3.889 2.499 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.510 -5.237 2.693 1.00 0.00 C ATOM 1267 C VAL A 85 -12.535 -5.274 3.821 1.00 0.00 C ATOM 1268 O VAL A 85 -12.231 -4.926 4.961 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.379 -6.234 3.008 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -10.929 -7.648 3.119 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.291 -6.158 1.947 1.00 0.00 C ATOM 0 H VAL A 85 -10.359 -3.571 3.234 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.991 -5.529 1.759 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.938 -5.965 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.115 -8.338 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.669 -7.689 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.397 -7.931 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.500 -6.869 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.715 -6.400 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.877 -5.150 1.922 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.751 -5.700 3.494 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.822 -5.783 4.481 1.00 0.00 C ATOM 1283 C ASN A 86 -15.649 -7.049 4.281 1.00 0.00 C ATOM 1284 O ASN A 86 -15.408 -7.820 3.352 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.725 -4.551 4.389 1.00 0.00 C ATOM 1286 CG ASN A 86 -14.975 -3.318 3.923 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -14.857 -2.336 4.657 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.464 -3.363 2.698 1.00 0.00 N ATOM 0 H ASN A 86 -14.019 -5.993 2.554 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.368 -5.820 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.545 -4.756 3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.169 -4.356 5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -13.949 -2.563 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.586 -4.198 2.125 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.624 -7.258 5.159 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.488 -8.429 5.078 1.00 0.00 C ATOM 1297 C ALA A 87 -18.138 -8.537 3.703 1.00 0.00 C ATOM 1298 O ALA A 87 -18.164 -9.610 3.101 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.552 -8.376 6.164 1.00 0.00 C ATOM 0 H ALA A 87 -16.835 -6.631 5.935 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.872 -9.315 5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -19.190 -9.257 6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -18.072 -8.355 7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.157 -7.478 6.037 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.662 -7.419 3.211 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.310 -7.389 1.906 1.00 0.00 C ATOM 1307 C ALA A 88 -18.451 -8.075 0.850 1.00 0.00 C ATOM 1308 O ALA A 88 -18.969 -8.708 -0.069 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.606 -5.953 1.497 1.00 0.00 C ATOM 0 H ALA A 88 -18.650 -6.522 3.697 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.250 -7.935 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.090 -5.945 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.266 -5.494 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.674 -5.390 1.445 1.00 0.00 H new ATOM 1315 N GLY A 89 -17.135 -7.945 0.988 1.00 0.00 N ATOM 1316 CA GLY A 89 -16.226 -8.557 0.037 1.00 0.00 C ATOM 1317 C GLY A 89 -14.920 -7.798 -0.088 1.00 0.00 C ATOM 1318 O GLY A 89 -14.099 -7.806 0.828 1.00 0.00 O ATOM 0 H GLY A 89 -16.683 -7.427 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.019 -9.582 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.707 -8.609 -0.940 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.727 -7.141 -1.227 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.512 -6.372 -1.469 1.00 0.00 C ATOM 1324 C ALA A 90 -13.754 -5.270 -2.494 1.00 0.00 C ATOM 1325 O ALA A 90 -14.618 -5.396 -3.363 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.391 -7.290 -1.933 1.00 0.00 C ATOM 0 H ALA A 90 -15.396 -7.126 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.217 -5.901 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.490 -6.703 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.192 -8.038 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.687 -7.788 -2.856 1.00 0.00 H new ATOM 1332 N SER A 91 -12.988 -4.189 -2.387 1.00 0.00 N ATOM 1333 CA SER A 91 -13.123 -3.062 -3.303 1.00 0.00 C ATOM 1334 C SER A 91 -12.019 -3.082 -4.356 1.00 0.00 C ATOM 1335 O SER A 91 -10.966 -3.687 -4.154 1.00 0.00 O ATOM 1336 CB SER A 91 -13.083 -1.743 -2.530 1.00 0.00 C ATOM 1337 OG SER A 91 -14.306 -1.510 -1.854 1.00 0.00 O ATOM 0 H SER A 91 -12.267 -4.070 -1.675 1.00 0.00 H new ATOM 0 HA SER A 91 -14.084 -3.150 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.265 -1.765 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.882 -0.921 -3.217 1.00 0.00 H new ATOM 0 HG SER A 91 -14.254 -0.662 -1.366 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.269 -2.417 -5.479 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.297 -2.359 -6.564 1.00 0.00 C ATOM 1345 C GLU A 92 -9.925 -1.940 -6.043 1.00 0.00 C ATOM 1346 O GLU A 92 -9.801 -1.106 -5.146 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.764 -1.383 -7.646 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.504 0.075 -7.303 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.781 1.006 -8.467 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.876 1.185 -9.310 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.900 1.556 -8.536 1.00 0.00 O ATOM 0 H GLU A 92 -13.136 -1.911 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.214 -3.356 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.260 -1.623 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.832 -1.523 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.128 0.362 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.467 0.191 -6.989 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.868 -2.532 -6.619 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.486 -2.237 -6.230 1.00 0.00 C ATOM 1360 C PRO A 93 -7.052 -0.836 -6.648 1.00 0.00 C ATOM 1361 O PRO A 93 -7.521 -0.304 -7.655 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.672 -3.294 -6.980 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.514 -3.657 -8.154 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.940 -3.535 -7.695 1.00 0.00 C ATOM 0 HA PRO A 93 -7.353 -2.265 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.705 -2.901 -7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.475 -4.162 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.317 -2.993 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.298 -4.671 -8.491 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.596 -3.211 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.328 -4.487 -7.332 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.155 -0.242 -5.868 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.656 1.097 -6.158 1.00 0.00 C ATOM 1374 C LYS A 94 -4.274 1.036 -6.801 1.00 0.00 C ATOM 1375 O LYS A 94 -3.327 0.515 -6.211 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.597 1.930 -4.876 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.106 3.351 -5.095 1.00 0.00 C ATOM 1378 CD LYS A 94 -6.171 4.214 -5.750 1.00 0.00 C ATOM 1379 CE LYS A 94 -5.984 5.684 -5.408 1.00 0.00 C ATOM 1380 NZ LYS A 94 -4.924 6.317 -6.240 1.00 0.00 N ATOM 0 H LYS A 94 -5.759 -0.667 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.343 1.569 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.590 1.963 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.941 1.434 -4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.819 3.789 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.213 3.336 -5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.133 4.083 -6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.158 3.886 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.925 6.213 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.725 5.781 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.827 7.318 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.020 5.828 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.183 6.247 -7.245 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.166 1.571 -8.012 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.900 1.577 -8.735 1.00 0.00 C ATOM 1396 C TYR A 95 -2.242 2.952 -8.672 1.00 0.00 C ATOM 1397 O TYR A 95 -2.825 3.951 -9.093 1.00 0.00 O ATOM 1398 CB TYR A 95 -3.119 1.170 -10.193 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.631 -0.244 -10.357 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -2.760 -1.327 -10.320 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -4.983 -0.497 -10.548 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.223 -2.620 -10.470 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -5.454 -1.786 -10.698 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.571 -2.845 -10.658 1.00 0.00 C ATOM 1405 OH TYR A 95 -5.036 -4.131 -10.808 1.00 0.00 O ATOM 0 H TYR A 95 -4.940 2.006 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.236 0.855 -8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.828 1.860 -10.651 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.179 1.272 -10.735 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.704 -1.155 -10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.678 0.329 -10.580 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.533 -3.450 -10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.509 -1.964 -10.846 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.008 -4.115 -10.930 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.024 2.994 -8.144 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.286 4.246 -8.024 1.00 0.00 C ATOM 1417 C TYR A 96 0.208 4.720 -9.388 1.00 0.00 C ATOM 1418 O TYR A 96 0.608 3.916 -10.229 1.00 0.00 O ATOM 1419 CB TYR A 96 0.898 4.075 -7.071 1.00 0.00 C ATOM 1420 CG TYR A 96 1.472 5.384 -6.578 1.00 0.00 C ATOM 1421 CD1 TYR A 96 2.167 6.228 -7.436 1.00 0.00 C ATOM 1422 CD2 TYR A 96 1.319 5.777 -5.254 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.694 7.424 -6.990 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.842 6.973 -4.799 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.529 7.792 -5.671 1.00 0.00 C ATOM 1426 OH TYR A 96 3.051 8.984 -5.222 1.00 0.00 O ATOM 0 H TYR A 96 -0.527 2.176 -7.792 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.962 5.000 -7.621 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.581 3.481 -6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.682 3.511 -7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.297 5.944 -8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 96 0.782 5.137 -4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.232 8.068 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.714 7.264 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 96 2.846 9.093 -4.270 1.00 0.00 H new ATOM 1436 N SER A 97 0.178 6.032 -9.597 1.00 0.00 N ATOM 1437 CA SER A 97 0.620 6.615 -10.859 1.00 0.00 C ATOM 1438 C SER A 97 1.978 6.055 -11.270 1.00 0.00 C ATOM 1439 O SER A 97 2.075 5.251 -12.197 1.00 0.00 O ATOM 1440 CB SER A 97 0.697 8.138 -10.742 1.00 0.00 C ATOM 1441 OG SER A 97 -0.583 8.728 -10.893 1.00 0.00 O ATOM 0 H SER A 97 -0.147 6.711 -8.909 1.00 0.00 H new ATOM 0 HA SER A 97 -0.108 6.353 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.114 8.410 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.373 8.530 -11.502 1.00 0.00 H new ATOM 0 HG SER A 97 -0.506 9.702 -10.812 1.00 0.00 H new ATOM 1447 N GLN A 98 3.024 6.487 -10.573 1.00 0.00 N ATOM 1448 CA GLN A 98 4.377 6.030 -10.865 1.00 0.00 C ATOM 1449 C GLN A 98 4.886 5.098 -9.770 1.00 0.00 C ATOM 1450 O GLN A 98 4.492 5.194 -8.608 1.00 0.00 O ATOM 1451 CB GLN A 98 5.321 7.224 -11.014 1.00 0.00 C ATOM 1452 CG GLN A 98 5.264 7.878 -12.386 1.00 0.00 C ATOM 1453 CD GLN A 98 5.856 7.004 -13.474 1.00 0.00 C ATOM 1454 OE1 GLN A 98 5.179 6.135 -14.026 1.00 0.00 O ATOM 1455 NE2 GLN A 98 7.126 7.229 -13.789 1.00 0.00 N ATOM 0 H GLN A 98 2.960 7.152 -9.803 1.00 0.00 H new ATOM 0 HA GLN A 98 4.351 5.477 -11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.075 7.968 -10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.342 6.896 -10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.227 8.106 -12.633 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.801 8.826 -12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.650 7.959 -13.306 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.578 6.672 -14.514 1.00 0.00 H new ATOM 1464 N PRO A 99 5.783 4.174 -10.147 1.00 0.00 N ATOM 1465 CA PRO A 99 6.365 3.208 -9.211 1.00 0.00 C ATOM 1466 C PRO A 99 7.314 3.865 -8.216 1.00 0.00 C ATOM 1467 O PRO A 99 7.963 4.863 -8.529 1.00 0.00 O ATOM 1468 CB PRO A 99 7.129 2.246 -10.125 1.00 0.00 C ATOM 1469 CG PRO A 99 7.446 3.048 -11.339 1.00 0.00 C ATOM 1470 CD PRO A 99 6.297 4.003 -11.516 1.00 0.00 C ATOM 0 HA PRO A 99 5.604 2.723 -8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.036 1.880 -9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.526 1.373 -10.374 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.386 3.586 -11.217 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.558 2.406 -12.213 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.624 4.951 -11.944 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.536 3.598 -12.183 1.00 0.00 H new ATOM 1478 N ILE A 100 7.392 3.298 -7.016 1.00 0.00 N ATOM 1479 CA ILE A 100 8.264 3.828 -5.976 1.00 0.00 C ATOM 1480 C ILE A 100 9.652 3.203 -6.051 1.00 0.00 C ATOM 1481 O ILE A 100 9.796 1.979 -6.038 1.00 0.00 O ATOM 1482 CB ILE A 100 7.678 3.585 -4.572 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.207 4.003 -4.530 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.480 4.343 -3.525 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.256 2.914 -4.976 1.00 0.00 C ATOM 0 H ILE A 100 6.861 2.471 -6.741 1.00 0.00 H new ATOM 0 HA ILE A 100 8.343 4.902 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 100 7.740 2.520 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.952 4.303 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.068 4.878 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.054 4.161 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.515 4.001 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.447 5.410 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.231 3.281 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.484 2.630 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.366 2.046 -4.326 1.00 0.00 H new ATOM 1497 N LEU A 101 10.673 4.050 -6.127 1.00 0.00 N ATOM 1498 CA LEU A 101 12.052 3.580 -6.202 1.00 0.00 C ATOM 1499 C LEU A 101 12.714 3.613 -4.828 1.00 0.00 C ATOM 1500 O LEU A 101 13.126 4.670 -4.351 1.00 0.00 O ATOM 1501 CB LEU A 101 12.851 4.438 -7.186 1.00 0.00 C ATOM 1502 CG LEU A 101 14.284 3.982 -7.463 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.288 2.667 -8.227 1.00 0.00 C ATOM 1504 CD2 LEU A 101 15.043 5.052 -8.235 1.00 0.00 C ATOM 0 H LEU A 101 10.572 5.065 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 101 12.040 2.549 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.311 4.468 -8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.883 5.459 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 101 14.786 3.825 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.316 2.359 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.782 1.902 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 101 13.769 2.796 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.061 4.711 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.542 5.240 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.071 5.972 -7.651 1.00 0.00 H new ATOM 1516 N VAL A 102 12.815 2.447 -4.198 1.00 0.00 N ATOM 1517 CA VAL A 102 13.430 2.341 -2.880 1.00 0.00 C ATOM 1518 C VAL A 102 14.835 2.933 -2.881 1.00 0.00 C ATOM 1519 O VAL A 102 15.824 2.214 -3.033 1.00 0.00 O ATOM 1520 CB VAL A 102 13.502 0.876 -2.410 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.114 -0.002 -3.491 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.292 0.770 -1.115 1.00 0.00 C ATOM 0 H VAL A 102 12.479 1.563 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 102 12.801 2.905 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 102 12.488 0.524 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.157 -1.033 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.503 0.051 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.122 0.347 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.333 -0.272 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.305 1.140 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.806 1.366 -0.342 1.00 0.00 H new ATOM 1532 N LYS A 103 14.918 4.247 -2.708 1.00 0.00 N ATOM 1533 CA LYS A 103 16.202 4.938 -2.686 1.00 0.00 C ATOM 1534 C LYS A 103 16.192 6.073 -1.667 1.00 0.00 C ATOM 1535 O LYS A 103 15.256 6.871 -1.623 1.00 0.00 O ATOM 1536 CB LYS A 103 16.532 5.487 -4.075 1.00 0.00 C ATOM 1537 CG LYS A 103 17.954 6.008 -4.201 1.00 0.00 C ATOM 1538 CD LYS A 103 18.925 4.897 -4.564 1.00 0.00 C ATOM 1539 CE LYS A 103 20.332 5.434 -4.778 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.931 5.939 -3.511 1.00 0.00 N ATOM 0 H LYS A 103 14.110 4.856 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 103 16.968 4.220 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.375 4.701 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.837 6.292 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.991 6.788 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 103 18.259 6.466 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.937 4.149 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.584 4.396 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.963 4.646 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.306 6.238 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.928 6.186 -3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.412 6.783 -3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.871 5.201 -2.781 1.00 0.00 H new ATOM 1554 N GLU A 104 17.240 6.140 -0.852 1.00 0.00 N ATOM 1555 CA GLU A 104 17.350 7.179 0.165 1.00 0.00 C ATOM 1556 C GLU A 104 17.913 8.466 -0.430 1.00 0.00 C ATOM 1557 O GLU A 104 18.683 8.433 -1.390 1.00 0.00 O ATOM 1558 CB GLU A 104 18.240 6.704 1.316 1.00 0.00 C ATOM 1559 CG GLU A 104 18.312 7.685 2.474 1.00 0.00 C ATOM 1560 CD GLU A 104 17.156 7.529 3.443 1.00 0.00 C ATOM 1561 OE1 GLU A 104 16.010 7.355 2.978 1.00 0.00 O ATOM 1562 OE2 GLU A 104 17.397 7.582 4.667 1.00 0.00 O ATOM 0 H GLU A 104 18.024 5.488 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 104 16.350 7.384 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 104 17.866 5.748 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.247 6.528 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.251 7.542 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.319 8.703 2.083 1.00 0.00 H new