USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 822 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 75 ASN : amide:sc= 0 K(o=-0.082,f=-1) USER MOD Set 1.2: A 76 MET CE :methyl -142:sc= -0.0818 (180deg=0) USER MOD Set 2.1: A 62 THR OG1 : rot -150:sc= -5.27! USER MOD Set 2.2: A 65 THR OG1 : rot 67:sc= -6.41! USER MOD Set 3.1: A 35 THR OG1 : rot -170:sc= 0.129 USER MOD Set 3.2: A 58 THR OG1 : rot 115:sc= -6.11! USER MOD Set 4.1: A 1 MET N :NH3+ -151:sc= 1.19 (180deg=-0.119) USER MOD Set 4.2: A 2 GLN : amide:sc= 1.08 K(o=2.3,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -3.45! C(o=-8.8!,f=-3.5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 10 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.6) USER MOD Single : A 13 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.29) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.244 USER MOD Single : A 24 THR OG1 : rot -78:sc= 0.848 USER MOD Single : A 29 SER OG : rot -128:sc= -2.45! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -6.89! C(o=-6.9!,f=-7.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -23:sc= -0.648! USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.867 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 67 THR OG1 : rot -177:sc= -0.325 USER MOD Single : A 69 LYS NZ :NH3+ 147:sc= -0.147 (180deg=-0.753) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.193 F(o=-0.88,f=-0.19) USER MOD Single : A 73 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.414! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -101:sc= -2.48 USER MOD Single : A 92 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.048) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.332 K(o=-0.33,f=-3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.634 13.187 6.766 1.00 0.00 N ATOM 2 CA MET A 1 -15.401 13.087 6.003 1.00 0.00 C ATOM 3 C MET A 1 -14.628 11.820 6.373 1.00 0.00 C ATOM 4 O MET A 1 -14.184 11.081 5.496 1.00 0.00 O ATOM 5 CB MET A 1 -14.530 14.315 6.277 1.00 0.00 C ATOM 6 CG MET A 1 -15.063 15.542 5.534 1.00 0.00 C ATOM 7 SD MET A 1 -14.129 16.990 5.999 1.00 0.00 S ATOM 8 CE MET A 1 -15.158 18.264 5.288 1.00 0.00 C ATOM 0 H1 MET A 1 -17.343 13.709 6.213 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.992 12.233 6.974 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.451 13.690 7.657 1.00 0.00 H new ATOM 0 HA MET A 1 -15.654 13.039 4.944 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.505 14.516 7.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.505 14.115 5.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.993 15.384 4.458 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.118 15.689 5.767 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.717 19.241 5.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.233 18.112 4.211 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.153 18.218 5.731 1.00 0.00 H new ATOM 18 N GLN A 2 -14.491 11.607 7.674 1.00 0.00 N ATOM 19 CA GLN A 2 -13.780 10.442 8.170 1.00 0.00 C ATOM 20 C GLN A 2 -12.305 10.510 7.770 1.00 0.00 C ATOM 21 O GLN A 2 -11.950 11.184 6.803 1.00 0.00 O ATOM 22 CB GLN A 2 -14.425 9.149 7.667 1.00 0.00 C ATOM 23 CG GLN A 2 -15.767 8.901 8.359 1.00 0.00 C ATOM 24 CD GLN A 2 -16.919 9.506 7.553 1.00 0.00 C ATOM 25 OE1 GLN A 2 -17.213 10.687 7.633 1.00 0.00 O ATOM 26 NE2 GLN A 2 -17.553 8.633 6.776 1.00 0.00 N ATOM 0 H GLN A 2 -14.861 12.222 8.399 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.842 10.440 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.573 9.208 6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.756 8.309 7.852 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.926 7.829 8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.751 9.335 9.359 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.255 7.658 6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.337 8.939 6.200 1.00 0.00 H new ATOM 35 N PRO A 3 -11.462 9.785 8.553 1.00 0.00 N ATOM 36 CA PRO A 3 -10.033 9.757 8.290 1.00 0.00 C ATOM 37 C PRO A 3 -9.716 8.879 7.077 1.00 0.00 C ATOM 38 O PRO A 3 -10.603 8.223 6.533 1.00 0.00 O ATOM 39 CB PRO A 3 -9.407 9.242 9.575 1.00 0.00 C ATOM 40 CG PRO A 3 -10.529 8.563 10.344 1.00 0.00 C ATOM 41 CD PRO A 3 -11.846 8.975 9.706 1.00 0.00 C ATOM 0 HA PRO A 3 -9.633 10.738 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.600 8.541 9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.976 10.059 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.412 7.480 10.313 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.505 8.856 11.393 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.428 8.105 9.402 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.462 9.544 10.402 1.00 0.00 H new ATOM 49 N ASN A 4 -8.450 8.897 6.689 1.00 0.00 N ATOM 50 CA ASN A 4 -8.005 8.111 5.551 1.00 0.00 C ATOM 51 C ASN A 4 -8.353 6.640 5.785 1.00 0.00 C ATOM 52 O ASN A 4 -8.562 6.221 6.922 1.00 0.00 O ATOM 53 CB ASN A 4 -6.489 8.215 5.368 1.00 0.00 C ATOM 54 CG ASN A 4 -5.941 6.995 4.625 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.678 5.956 5.412 1.00 0.00 O flip ATOM 56 ND2 ASN A 4 -5.770 6.997 3.417 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.718 9.444 7.142 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.503 8.495 4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.248 9.122 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.007 8.299 6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.993 7.830 2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.404 6.166 2.952 1.00 0.00 H new ATOM 63 N ASP A 5 -8.404 5.896 4.690 1.00 0.00 N ATOM 64 CA ASP A 5 -8.723 4.480 4.761 1.00 0.00 C ATOM 65 C ASP A 5 -7.429 3.666 4.697 1.00 0.00 C ATOM 66 O ASP A 5 -7.192 2.803 5.541 1.00 0.00 O ATOM 67 CB ASP A 5 -9.608 4.055 3.587 1.00 0.00 C ATOM 68 CG ASP A 5 -10.918 4.833 3.450 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.485 4.941 2.352 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.362 5.350 4.545 1.00 0.00 O ATOM 0 H ASP A 5 -8.230 6.247 3.748 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.254 4.301 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.039 4.166 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.841 2.996 3.692 1.00 0.00 H new ATOM 76 N ILE A 6 -6.626 3.970 3.688 1.00 0.00 N ATOM 77 CA ILE A 6 -5.363 3.277 3.503 1.00 0.00 C ATOM 78 C ILE A 6 -4.291 4.283 3.078 1.00 0.00 C ATOM 79 O ILE A 6 -4.577 5.225 2.340 1.00 0.00 O ATOM 80 CB ILE A 6 -5.530 2.109 2.528 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.180 1.463 2.211 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.265 2.552 1.262 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.365 0.045 1.665 1.00 0.00 C ATOM 0 H ILE A 6 -6.826 4.687 2.990 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.031 2.834 4.442 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.146 1.349 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.645 2.070 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.567 1.433 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.370 1.703 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.253 2.929 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.697 3.340 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.390 -0.391 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.879 -0.566 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.958 0.081 0.751 1.00 0.00 H new ATOM 95 N THR A 7 -3.081 4.051 3.564 1.00 0.00 N ATOM 96 CA THR A 7 -1.966 4.926 3.244 1.00 0.00 C ATOM 97 C THR A 7 -1.002 4.231 2.280 1.00 0.00 C ATOM 98 O THR A 7 -1.088 3.021 2.075 1.00 0.00 O ATOM 99 CB THR A 7 -1.308 5.352 4.558 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.424 4.204 5.393 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.109 6.430 5.291 1.00 0.00 C ATOM 0 H THR A 7 -2.848 3.270 4.177 1.00 0.00 H new ATOM 0 HA THR A 7 -2.304 5.824 2.726 1.00 0.00 H new ATOM 0 HB THR A 7 -0.302 5.721 4.357 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.021 4.392 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.599 6.696 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.196 7.313 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.104 6.050 5.522 1.00 0.00 H new ATOM 109 N PHE A 8 -0.107 5.026 1.713 1.00 0.00 N ATOM 110 CA PHE A 8 0.872 4.503 0.775 1.00 0.00 C ATOM 111 C PHE A 8 2.129 5.375 0.750 1.00 0.00 C ATOM 112 O PHE A 8 2.078 6.531 0.335 1.00 0.00 O ATOM 113 CB PHE A 8 0.222 4.526 -0.610 1.00 0.00 C ATOM 114 CG PHE A 8 -1.192 3.941 -0.644 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.235 4.655 -0.142 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.405 2.707 -1.175 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.547 4.112 -0.173 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.717 2.165 -1.207 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.760 2.878 -0.705 1.00 0.00 C ATOM 0 H PHE A 8 -0.039 6.029 1.885 1.00 0.00 H new ATOM 0 HA PHE A 8 1.167 3.496 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.187 5.555 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.851 3.969 -1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.066 5.635 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.576 2.140 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.376 4.679 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.886 1.186 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.758 2.465 -0.728 1.00 0.00 H new ATOM 129 N PHE A 9 3.227 4.787 1.200 1.00 0.00 N ATOM 130 CA PHE A 9 4.495 5.496 1.234 1.00 0.00 C ATOM 131 C PHE A 9 4.647 6.408 0.015 1.00 0.00 C ATOM 132 O PHE A 9 4.019 6.179 -1.017 1.00 0.00 O ATOM 133 CB PHE A 9 5.600 4.438 1.205 1.00 0.00 C ATOM 134 CG PHE A 9 7.009 5.004 1.394 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.203 6.094 2.185 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.067 4.418 0.772 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.511 6.619 2.360 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.374 4.944 0.948 1.00 0.00 C ATOM 139 CZ PHE A 9 9.568 6.033 1.738 1.00 0.00 C ATOM 0 H PHE A 9 3.265 3.828 1.544 1.00 0.00 H new ATOM 0 HA PHE A 9 4.549 6.117 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.407 3.704 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.557 3.908 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.363 6.560 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.913 3.553 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.666 7.484 2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.214 4.479 0.454 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.562 6.433 1.872 1.00 0.00 H new ATOM 149 N GLN A 10 5.483 7.423 0.176 1.00 0.00 N ATOM 150 CA GLN A 10 5.725 8.370 -0.898 1.00 0.00 C ATOM 151 C GLN A 10 6.003 7.629 -2.208 1.00 0.00 C ATOM 152 O GLN A 10 5.378 7.910 -3.229 1.00 0.00 O ATOM 153 CB GLN A 10 6.877 9.315 -0.548 1.00 0.00 C ATOM 154 CG GLN A 10 7.959 8.586 0.252 1.00 0.00 C ATOM 155 CD GLN A 10 9.347 8.852 -0.336 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.669 8.448 -1.441 1.00 0.00 O ATOM 157 NE2 GLN A 10 10.147 9.552 0.463 1.00 0.00 N ATOM 0 H GLN A 10 6.001 7.610 1.034 1.00 0.00 H new ATOM 0 HA GLN A 10 4.828 8.976 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.308 9.723 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.498 10.158 0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.931 8.914 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.758 7.515 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.813 9.859 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.094 9.782 0.162 1.00 0.00 H new ATOM 166 N ARG A 11 6.942 6.697 -2.135 1.00 0.00 N ATOM 167 CA ARG A 11 7.310 5.913 -3.302 1.00 0.00 C ATOM 168 C ARG A 11 6.072 5.249 -3.907 1.00 0.00 C ATOM 169 O ARG A 11 5.885 5.268 -5.123 1.00 0.00 O ATOM 170 CB ARG A 11 8.333 4.835 -2.940 1.00 0.00 C ATOM 171 CG ARG A 11 9.607 5.458 -2.365 1.00 0.00 C ATOM 172 CD ARG A 11 10.825 4.575 -2.646 1.00 0.00 C ATOM 173 NE ARG A 11 11.378 4.888 -3.982 1.00 0.00 N ATOM 174 CZ ARG A 11 12.122 5.980 -4.257 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.408 6.876 -3.289 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.565 6.160 -5.488 1.00 0.00 N ATOM 0 H ARG A 11 7.459 6.467 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 11 7.755 6.591 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.900 4.148 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.578 4.249 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.761 6.446 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.495 5.597 -1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.585 4.736 -1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.542 3.524 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 11 11.185 4.237 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.061 6.731 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.971 7.699 -3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.344 5.479 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.129 6.980 -5.712 1.00 0.00 H new ATOM 189 N PHE A 12 5.258 4.677 -3.032 1.00 0.00 N ATOM 190 CA PHE A 12 4.043 4.008 -3.465 1.00 0.00 C ATOM 191 C PHE A 12 3.061 5.004 -4.085 1.00 0.00 C ATOM 192 O PHE A 12 2.400 4.694 -5.076 1.00 0.00 O ATOM 193 CB PHE A 12 3.406 3.388 -2.220 1.00 0.00 C ATOM 194 CG PHE A 12 2.591 2.124 -2.502 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.628 2.135 -3.462 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.831 0.989 -1.792 1.00 0.00 C ATOM 197 CE1 PHE A 12 0.872 0.962 -3.724 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.075 -0.185 -2.054 1.00 0.00 C ATOM 199 CZ PHE A 12 1.112 -0.173 -3.014 1.00 0.00 C ATOM 0 H PHE A 12 5.416 4.663 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 12 4.280 3.256 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.192 3.149 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.759 4.128 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.438 3.037 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.596 0.980 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.107 0.971 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.265 -1.087 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.537 -1.065 -3.213 1.00 0.00 H new ATOM 209 N GLN A 13 2.995 6.179 -3.477 1.00 0.00 N ATOM 210 CA GLN A 13 2.105 7.221 -3.957 1.00 0.00 C ATOM 211 C GLN A 13 2.449 7.590 -5.401 1.00 0.00 C ATOM 212 O GLN A 13 1.566 7.665 -6.254 1.00 0.00 O ATOM 213 CB GLN A 13 2.161 8.451 -3.049 1.00 0.00 C ATOM 214 CG GLN A 13 0.827 8.664 -2.330 1.00 0.00 C ATOM 215 CD GLN A 13 0.090 9.882 -2.890 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.660 10.939 -3.105 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.205 9.677 -3.112 1.00 0.00 N ATOM 0 H GLN A 13 3.544 6.432 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 13 1.085 6.839 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.958 8.330 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.404 9.333 -3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.205 7.776 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.003 8.800 -1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.619 8.767 -2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.784 10.430 -3.484 1.00 0.00 H new ATOM 226 N ASP A 14 3.735 7.811 -5.631 1.00 0.00 N ATOM 227 CA ASP A 14 4.207 8.170 -6.958 1.00 0.00 C ATOM 228 C ASP A 14 3.858 7.050 -7.939 1.00 0.00 C ATOM 229 O ASP A 14 3.320 7.307 -9.015 1.00 0.00 O ATOM 230 CB ASP A 14 5.725 8.355 -6.971 1.00 0.00 C ATOM 231 CG ASP A 14 6.352 8.460 -8.363 1.00 0.00 C ATOM 232 OD1 ASP A 14 6.803 7.458 -8.937 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.367 9.648 -8.866 1.00 0.00 O ATOM 0 H ASP A 14 4.465 7.748 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 14 3.728 9.106 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.971 9.256 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.183 7.517 -6.445 1.00 0.00 H new ATOM 239 N ASP A 15 4.180 5.830 -7.533 1.00 0.00 N ATOM 240 CA ASP A 15 3.907 4.669 -8.363 1.00 0.00 C ATOM 241 C ASP A 15 2.427 4.659 -8.749 1.00 0.00 C ATOM 242 O ASP A 15 2.075 4.278 -9.864 1.00 0.00 O ATOM 243 CB ASP A 15 4.209 3.371 -7.611 1.00 0.00 C ATOM 244 CG ASP A 15 4.120 2.099 -8.456 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.951 1.862 -9.345 1.00 0.00 O ATOM 246 OD2 ASP A 15 3.132 1.321 -8.167 1.00 0.00 O ATOM 0 H ASP A 15 4.627 5.621 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 15 4.542 4.730 -9.247 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.211 3.439 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.515 3.283 -6.775 1.00 0.00 H new ATOM 252 N ILE A 16 1.599 5.082 -7.805 1.00 0.00 N ATOM 253 CA ILE A 16 0.165 5.127 -8.032 1.00 0.00 C ATOM 254 C ILE A 16 -0.147 6.189 -9.087 1.00 0.00 C ATOM 255 O ILE A 16 -0.948 5.954 -9.991 1.00 0.00 O ATOM 256 CB ILE A 16 -0.580 5.334 -6.711 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.433 4.113 -5.801 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.047 5.690 -6.960 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.775 4.465 -4.352 1.00 0.00 C ATOM 0 H ILE A 16 1.894 5.397 -6.881 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.189 4.174 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.127 6.178 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.088 3.314 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.588 3.735 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.554 5.832 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.104 6.610 -7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.529 4.882 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.662 3.580 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.102 5.247 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.804 4.820 -4.297 1.00 0.00 H new ATOM 271 N LEU A 17 0.500 7.335 -8.937 1.00 0.00 N ATOM 272 CA LEU A 17 0.302 8.434 -9.866 1.00 0.00 C ATOM 273 C LEU A 17 0.662 7.973 -11.280 1.00 0.00 C ATOM 274 O LEU A 17 0.141 8.502 -12.261 1.00 0.00 O ATOM 275 CB LEU A 17 1.076 9.671 -9.406 1.00 0.00 C ATOM 276 CG LEU A 17 2.199 10.142 -10.333 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.653 11.039 -11.445 1.00 0.00 C ATOM 278 CD2 LEU A 17 3.314 10.827 -9.539 1.00 0.00 C ATOM 0 H LEU A 17 1.162 7.526 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.746 8.732 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.369 10.491 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.504 9.464 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 17 2.636 9.266 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.472 11.359 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.923 10.484 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.174 11.914 -11.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.100 11.152 -10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.908 11.692 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.729 10.125 -8.816 1.00 0.00 H new ATOM 290 N ALA A 18 1.551 6.992 -11.339 1.00 0.00 N ATOM 291 CA ALA A 18 1.988 6.454 -12.616 1.00 0.00 C ATOM 292 C ALA A 18 0.993 5.390 -13.083 1.00 0.00 C ATOM 293 O ALA A 18 1.236 4.697 -14.070 1.00 0.00 O ATOM 294 CB ALA A 18 3.409 5.904 -12.480 1.00 0.00 C ATOM 0 H ALA A 18 1.980 6.556 -10.523 1.00 0.00 H new ATOM 0 HA ALA A 18 2.013 7.237 -13.374 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.736 5.501 -13.438 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.082 6.706 -12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.423 5.113 -11.730 1.00 0.00 H new ATOM 300 N GLY A 19 -0.107 5.292 -12.351 1.00 0.00 N ATOM 301 CA GLY A 19 -1.140 4.324 -12.677 1.00 0.00 C ATOM 302 C GLY A 19 -0.719 2.912 -12.263 1.00 0.00 C ATOM 303 O GLY A 19 -0.358 2.682 -11.110 1.00 0.00 O ATOM 0 H GLY A 19 -0.305 5.868 -11.533 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.068 4.593 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.341 4.348 -13.748 1.00 0.00 H new ATOM 307 N ARG A 20 -0.779 2.005 -13.226 1.00 0.00 N ATOM 308 CA ARG A 20 -0.409 0.622 -12.976 1.00 0.00 C ATOM 309 C ARG A 20 -0.954 0.163 -11.623 1.00 0.00 C ATOM 310 O ARG A 20 -0.315 0.364 -10.591 1.00 0.00 O ATOM 311 CB ARG A 20 1.111 0.448 -12.991 1.00 0.00 C ATOM 312 CG ARG A 20 1.538 -0.555 -14.066 1.00 0.00 C ATOM 313 CD ARG A 20 2.492 -1.602 -13.490 1.00 0.00 C ATOM 314 NE ARG A 20 3.864 -1.369 -13.995 1.00 0.00 N ATOM 315 CZ ARG A 20 4.693 -0.415 -13.520 1.00 0.00 C ATOM 316 NH1 ARG A 20 4.296 0.405 -12.524 1.00 0.00 N ATOM 317 NH2 ARG A 20 5.898 -0.295 -14.046 1.00 0.00 N ATOM 0 H ARG A 20 -1.078 2.200 -14.181 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.841 0.014 -13.771 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.589 1.410 -13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.451 0.106 -12.014 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.658 -1.048 -14.479 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.023 -0.028 -14.888 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.483 -1.554 -12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.158 -2.602 -13.768 1.00 0.00 H new ATOM 0 HE ARG A 20 4.204 -1.966 -14.749 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.363 0.307 -12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.929 1.123 -12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.190 -0.918 -14.799 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.537 0.420 -13.699 1.00 0.00 H new ATOM 330 N LYS A 21 -2.131 -0.445 -11.670 1.00 0.00 N ATOM 331 CA LYS A 21 -2.770 -0.934 -10.460 1.00 0.00 C ATOM 332 C LYS A 21 -1.715 -1.573 -9.555 1.00 0.00 C ATOM 333 O LYS A 21 -0.746 -2.156 -10.039 1.00 0.00 O ATOM 334 CB LYS A 21 -3.930 -1.869 -10.808 1.00 0.00 C ATOM 335 CG LYS A 21 -3.415 -3.196 -11.370 1.00 0.00 C ATOM 336 CD LYS A 21 -3.761 -3.334 -12.854 1.00 0.00 C ATOM 337 CE LYS A 21 -2.637 -4.038 -13.616 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.772 -3.803 -15.071 1.00 0.00 N ATOM 0 H LYS A 21 -2.658 -0.610 -12.527 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.212 -0.109 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.531 -2.056 -9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.582 -1.389 -11.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.335 -3.256 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.851 -4.025 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.688 -3.897 -12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.934 -2.347 -13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.670 -3.672 -13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.665 -5.108 -13.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.001 -4.288 -15.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.687 -4.174 -15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.723 -2.782 -15.264 1.00 0.00 H new ATOM 351 N THR A 22 -1.939 -1.441 -8.255 1.00 0.00 N ATOM 352 CA THR A 22 -1.020 -1.998 -7.277 1.00 0.00 C ATOM 353 C THR A 22 -1.793 -2.603 -6.104 1.00 0.00 C ATOM 354 O THR A 22 -2.882 -2.141 -5.769 1.00 0.00 O ATOM 355 CB THR A 22 -0.047 -0.893 -6.859 1.00 0.00 C ATOM 356 OG1 THR A 22 0.445 -0.379 -8.094 1.00 0.00 O ATOM 357 CG2 THR A 22 1.198 -1.443 -6.161 1.00 0.00 C ATOM 0 H THR A 22 -2.743 -0.956 -7.857 1.00 0.00 H new ATOM 0 HA THR A 22 -0.440 -2.818 -7.701 1.00 0.00 H new ATOM 0 HB THR A 22 -0.555 -0.193 -6.196 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.283 0.104 -7.937 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.855 -0.618 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.902 -1.986 -5.264 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.726 -2.117 -6.836 1.00 0.00 H new ATOM 365 N ILE A 23 -1.198 -3.629 -5.511 1.00 0.00 N ATOM 366 CA ILE A 23 -1.817 -4.302 -4.382 1.00 0.00 C ATOM 367 C ILE A 23 -1.238 -3.743 -3.081 1.00 0.00 C ATOM 368 O ILE A 23 -0.131 -3.209 -3.069 1.00 0.00 O ATOM 369 CB ILE A 23 -1.672 -5.819 -4.518 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.103 -6.195 -5.888 1.00 0.00 C ATOM 371 CG2 ILE A 23 -3.001 -6.524 -4.237 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.427 -6.180 -5.868 1.00 0.00 C ATOM 0 H ILE A 23 -0.294 -4.010 -5.792 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.889 -4.108 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.960 -6.163 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.457 -7.186 -6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.467 -5.497 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.870 -7.601 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.328 -6.294 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.753 -6.180 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.806 -6.451 -6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.778 -5.182 -5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.788 -6.897 -5.131 1.00 0.00 H new ATOM 384 N THR A 24 -2.014 -3.886 -2.016 1.00 0.00 N ATOM 385 CA THR A 24 -1.592 -3.402 -0.713 1.00 0.00 C ATOM 386 C THR A 24 -1.653 -4.530 0.320 1.00 0.00 C ATOM 387 O THR A 24 -2.137 -5.621 0.025 1.00 0.00 O ATOM 388 CB THR A 24 -2.464 -2.199 -0.350 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.752 -2.761 -0.115 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.681 -1.254 -1.534 1.00 0.00 C ATOM 0 H THR A 24 -2.932 -4.330 -2.029 1.00 0.00 H new ATOM 0 HA THR A 24 -0.552 -3.075 -0.731 1.00 0.00 H new ATOM 0 HB THR A 24 -2.002 -1.652 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.185 -2.956 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.306 -0.418 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.718 -0.878 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.173 -1.793 -2.344 1.00 0.00 H new ATOM 398 N ILE A 25 -1.154 -4.227 1.509 1.00 0.00 N ATOM 399 CA ILE A 25 -1.145 -5.201 2.587 1.00 0.00 C ATOM 400 C ILE A 25 -1.671 -4.545 3.866 1.00 0.00 C ATOM 401 O ILE A 25 -1.291 -3.422 4.193 1.00 0.00 O ATOM 402 CB ILE A 25 0.247 -5.818 2.740 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.773 -6.324 1.396 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.245 -6.917 3.805 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.640 -5.266 0.713 1.00 0.00 C ATOM 0 H ILE A 25 -0.753 -3.321 1.750 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.813 -6.031 2.356 1.00 0.00 H new ATOM 0 HB ILE A 25 0.930 -5.040 3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.355 -7.233 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.064 -6.586 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.246 -7.339 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.057 -6.495 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.455 -7.701 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.001 -5.652 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.048 -4.367 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.490 -5.024 1.352 1.00 0.00 H new ATOM 417 N ARG A 26 -2.537 -5.275 4.554 1.00 0.00 N ATOM 418 CA ARG A 26 -3.119 -4.778 5.789 1.00 0.00 C ATOM 419 C ARG A 26 -3.043 -5.849 6.880 1.00 0.00 C ATOM 420 O ARG A 26 -2.676 -6.991 6.608 1.00 0.00 O ATOM 421 CB ARG A 26 -4.579 -4.370 5.585 1.00 0.00 C ATOM 422 CG ARG A 26 -4.951 -4.386 4.101 1.00 0.00 C ATOM 423 CD ARG A 26 -4.395 -3.154 3.383 1.00 0.00 C ATOM 424 NE ARG A 26 -5.268 -1.986 3.634 1.00 0.00 N ATOM 425 CZ ARG A 26 -5.081 -1.103 4.638 1.00 0.00 C ATOM 426 NH1 ARG A 26 -4.048 -1.249 5.495 1.00 0.00 N ATOM 427 NH2 ARG A 26 -5.923 -0.095 4.770 1.00 0.00 N ATOM 0 H ARG A 26 -2.849 -6.206 4.280 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.548 -3.901 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.230 -5.050 6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.742 -3.373 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.561 -5.290 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.035 -4.415 3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.384 -2.945 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.329 -3.346 2.312 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.061 -1.839 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.402 -2.031 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.914 -0.577 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.701 0.008 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.795 0.581 5.523 1.00 0.00 H new ATOM 440 N ASP A 27 -3.396 -5.441 8.090 1.00 0.00 N ATOM 441 CA ASP A 27 -3.372 -6.351 9.222 1.00 0.00 C ATOM 442 C ASP A 27 -4.803 -6.772 9.562 1.00 0.00 C ATOM 443 O ASP A 27 -5.675 -5.925 9.751 1.00 0.00 O ATOM 444 CB ASP A 27 -2.771 -5.678 10.458 1.00 0.00 C ATOM 445 CG ASP A 27 -2.826 -6.511 11.740 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.518 -7.538 11.805 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.109 -6.062 12.713 1.00 0.00 O ATOM 0 H ASP A 27 -3.700 -4.493 8.311 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.763 -7.213 8.949 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.730 -5.430 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.294 -4.737 10.631 1.00 0.00 H new ATOM 453 N GLU A 28 -5.001 -8.081 9.631 1.00 0.00 N ATOM 454 CA GLU A 28 -6.311 -8.624 9.945 1.00 0.00 C ATOM 455 C GLU A 28 -6.880 -7.950 11.195 1.00 0.00 C ATOM 456 O GLU A 28 -8.072 -7.653 11.256 1.00 0.00 O ATOM 457 CB GLU A 28 -6.246 -10.143 10.122 1.00 0.00 C ATOM 458 CG GLU A 28 -7.556 -10.683 10.700 1.00 0.00 C ATOM 459 CD GLU A 28 -8.737 -10.350 9.786 1.00 0.00 C ATOM 460 OE1 GLU A 28 -8.947 -11.031 8.771 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.451 -9.344 10.163 1.00 0.00 O ATOM 0 H GLU A 28 -4.276 -8.781 9.475 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.979 -8.416 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.046 -10.617 9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.419 -10.401 10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.483 -11.763 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.725 -10.256 11.689 1.00 0.00 H new ATOM 469 N SER A 29 -6.000 -7.728 12.160 1.00 0.00 N ATOM 470 CA SER A 29 -6.400 -7.094 13.405 1.00 0.00 C ATOM 471 C SER A 29 -6.945 -5.691 13.127 1.00 0.00 C ATOM 472 O SER A 29 -7.640 -5.115 13.962 1.00 0.00 O ATOM 473 CB SER A 29 -5.230 -7.023 14.388 1.00 0.00 C ATOM 474 OG SER A 29 -4.191 -6.167 13.921 1.00 0.00 O ATOM 0 H SER A 29 -5.012 -7.976 12.105 1.00 0.00 H new ATOM 0 HA SER A 29 -7.185 -7.699 13.859 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.589 -6.665 15.353 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.830 -8.024 14.548 1.00 0.00 H new ATOM 0 HG SER A 29 -3.337 -6.647 13.943 1.00 0.00 H new ATOM 480 N GLU A 30 -6.609 -5.184 11.950 1.00 0.00 N ATOM 481 CA GLU A 30 -7.056 -3.860 11.552 1.00 0.00 C ATOM 482 C GLU A 30 -7.908 -3.947 10.284 1.00 0.00 C ATOM 483 O GLU A 30 -8.123 -2.943 9.606 1.00 0.00 O ATOM 484 CB GLU A 30 -5.868 -2.917 11.350 1.00 0.00 C ATOM 485 CG GLU A 30 -5.562 -2.138 12.631 1.00 0.00 C ATOM 486 CD GLU A 30 -4.787 -0.856 12.322 1.00 0.00 C ATOM 487 OE1 GLU A 30 -3.719 -0.914 11.694 1.00 0.00 O ATOM 488 OE2 GLU A 30 -5.331 0.229 12.758 1.00 0.00 O ATOM 0 H GLU A 30 -6.033 -5.666 11.260 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.671 -3.450 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.991 -3.491 11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.085 -2.221 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.493 -1.890 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.982 -2.763 13.311 1.00 0.00 H new ATOM 496 N SER A 31 -8.370 -5.156 10.001 1.00 0.00 N ATOM 497 CA SER A 31 -9.193 -5.387 8.826 1.00 0.00 C ATOM 498 C SER A 31 -10.157 -4.216 8.624 1.00 0.00 C ATOM 499 O SER A 31 -10.833 -3.795 9.561 1.00 0.00 O ATOM 500 CB SER A 31 -9.971 -6.699 8.948 1.00 0.00 C ATOM 501 OG SER A 31 -11.379 -6.492 8.894 1.00 0.00 O ATOM 0 H SER A 31 -8.190 -5.986 10.565 1.00 0.00 H new ATOM 0 HA SER A 31 -8.537 -5.464 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.673 -7.373 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.712 -7.188 9.887 1.00 0.00 H new ATOM 0 HG SER A 31 -11.840 -7.353 8.974 1.00 0.00 H new ATOM 507 N HIS A 32 -10.188 -3.722 7.395 1.00 0.00 N ATOM 508 CA HIS A 32 -11.057 -2.608 7.058 1.00 0.00 C ATOM 509 C HIS A 32 -12.120 -3.070 6.060 1.00 0.00 C ATOM 510 O HIS A 32 -12.674 -4.160 6.197 1.00 0.00 O ATOM 511 CB HIS A 32 -10.242 -1.417 6.548 1.00 0.00 C ATOM 512 CG HIS A 32 -9.578 -1.655 5.213 1.00 0.00 C ATOM 513 ND1 HIS A 32 -8.576 -2.592 5.030 1.00 0.00 N ATOM 514 CD2 HIS A 32 -9.784 -1.069 3.999 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.202 -2.562 3.759 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.952 -1.617 3.122 1.00 0.00 N ATOM 0 H HIS A 32 -9.625 -4.073 6.620 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.574 -2.263 7.953 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.897 -0.549 6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.477 -1.171 7.284 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -8.191 -3.202 5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.502 -0.291 3.787 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.438 -3.177 3.307 1.00 0.00 H new ATOM 524 N PHE A 33 -12.374 -2.218 5.077 1.00 0.00 N ATOM 525 CA PHE A 33 -13.360 -2.525 4.056 1.00 0.00 C ATOM 526 C PHE A 33 -12.958 -3.769 3.262 1.00 0.00 C ATOM 527 O PHE A 33 -12.045 -4.493 3.655 1.00 0.00 O ATOM 528 CB PHE A 33 -13.412 -1.325 3.109 1.00 0.00 C ATOM 529 CG PHE A 33 -13.409 0.030 3.820 1.00 0.00 C ATOM 530 CD1 PHE A 33 -13.777 0.113 5.126 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.039 1.151 3.145 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.775 1.370 5.786 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.036 2.409 3.805 1.00 0.00 C ATOM 534 CZ PHE A 33 -13.404 2.491 5.112 1.00 0.00 C ATOM 0 H PHE A 33 -11.913 -1.315 4.967 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.327 -2.720 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.558 -1.371 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -14.309 -1.399 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.071 -0.778 5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.747 1.085 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.068 1.436 6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -12.742 3.300 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 33 -13.401 3.447 5.615 1.00 0.00 H new ATOM 544 N LYS A 34 -13.661 -3.981 2.158 1.00 0.00 N ATOM 545 CA LYS A 34 -13.389 -5.125 1.306 1.00 0.00 C ATOM 546 C LYS A 34 -13.357 -4.671 -0.155 1.00 0.00 C ATOM 547 O LYS A 34 -13.266 -3.477 -0.436 1.00 0.00 O ATOM 548 CB LYS A 34 -14.392 -6.248 1.579 1.00 0.00 C ATOM 549 CG LYS A 34 -14.343 -6.681 3.045 1.00 0.00 C ATOM 550 CD LYS A 34 -14.092 -8.186 3.164 1.00 0.00 C ATOM 551 CE LYS A 34 -13.425 -8.527 4.498 1.00 0.00 C ATOM 552 NZ LYS A 34 -14.396 -9.167 5.414 1.00 0.00 N ATOM 0 H LYS A 34 -14.418 -3.379 1.835 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.408 -5.543 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.398 -5.911 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.173 -7.101 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.554 -6.135 3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.283 -6.425 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.036 -8.724 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.459 -8.519 2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.581 -9.195 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.028 -7.621 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.927 -9.392 6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.189 -8.517 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.755 -10.042 4.983 1.00 0.00 H new ATOM 565 N THR A 35 -13.434 -5.648 -1.047 1.00 0.00 N ATOM 566 CA THR A 35 -13.416 -5.364 -2.472 1.00 0.00 C ATOM 567 C THR A 35 -14.756 -4.774 -2.916 1.00 0.00 C ATOM 568 O THR A 35 -15.799 -5.097 -2.348 1.00 0.00 O ATOM 569 CB THR A 35 -13.047 -6.654 -3.207 1.00 0.00 C ATOM 570 OG1 THR A 35 -11.877 -7.113 -2.535 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.576 -6.397 -4.640 1.00 0.00 C ATOM 0 H THR A 35 -13.509 -6.637 -0.810 1.00 0.00 H new ATOM 0 HA THR A 35 -12.668 -4.609 -2.715 1.00 0.00 H new ATOM 0 HB THR A 35 -13.908 -7.322 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.479 -7.853 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.327 -7.345 -5.117 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.371 -5.906 -5.202 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.694 -5.756 -4.624 1.00 0.00 H new ATOM 579 N GLY A 36 -14.685 -3.920 -3.926 1.00 0.00 N ATOM 580 CA GLY A 36 -15.880 -3.282 -4.452 1.00 0.00 C ATOM 581 C GLY A 36 -16.172 -1.973 -3.717 1.00 0.00 C ATOM 582 O GLY A 36 -16.951 -1.149 -4.194 1.00 0.00 O ATOM 0 H GLY A 36 -13.819 -3.655 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.753 -3.085 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.730 -3.957 -4.352 1.00 0.00 H new ATOM 586 N ASP A 37 -15.531 -1.821 -2.567 1.00 0.00 N ATOM 587 CA ASP A 37 -15.712 -0.626 -1.762 1.00 0.00 C ATOM 588 C ASP A 37 -14.762 0.467 -2.257 1.00 0.00 C ATOM 589 O ASP A 37 -14.144 0.326 -3.311 1.00 0.00 O ATOM 590 CB ASP A 37 -15.391 -0.899 -0.291 1.00 0.00 C ATOM 591 CG ASP A 37 -16.591 -0.835 0.656 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.047 -1.863 1.179 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.069 0.347 0.851 1.00 0.00 O ATOM 0 H ASP A 37 -14.886 -2.506 -2.174 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.752 -0.313 -1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.937 -1.887 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.645 -0.177 0.042 1.00 0.00 H new ATOM 599 N VAL A 38 -14.677 1.532 -1.474 1.00 0.00 N ATOM 600 CA VAL A 38 -13.813 2.648 -1.820 1.00 0.00 C ATOM 601 C VAL A 38 -12.620 2.681 -0.863 1.00 0.00 C ATOM 602 O VAL A 38 -12.755 2.350 0.314 1.00 0.00 O ATOM 603 CB VAL A 38 -14.616 3.951 -1.819 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.858 5.061 -1.089 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.972 4.376 -3.245 1.00 0.00 C ATOM 0 H VAL A 38 -15.192 1.646 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.417 2.526 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.547 3.771 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.450 5.976 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.678 4.761 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.905 5.239 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.542 5.304 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.058 4.529 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.570 3.597 -3.718 1.00 0.00 H new ATOM 615 N LEU A 39 -11.479 3.081 -1.404 1.00 0.00 N ATOM 616 CA LEU A 39 -10.263 3.161 -0.612 1.00 0.00 C ATOM 617 C LEU A 39 -9.658 4.559 -0.754 1.00 0.00 C ATOM 618 O LEU A 39 -9.140 4.911 -1.813 1.00 0.00 O ATOM 619 CB LEU A 39 -9.301 2.033 -0.993 1.00 0.00 C ATOM 620 CG LEU A 39 -9.582 0.670 -0.358 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.869 -0.448 -1.123 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.217 0.671 1.128 1.00 0.00 C ATOM 0 H LEU A 39 -11.371 3.353 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.486 3.016 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.319 1.918 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.290 2.337 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.652 0.475 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.085 -1.407 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.220 -0.464 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.794 -0.270 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.427 -0.310 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.157 0.897 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.807 1.426 1.647 1.00 0.00 H new ATOM 634 N ARG A 40 -9.744 5.319 0.328 1.00 0.00 N ATOM 635 CA ARG A 40 -9.212 6.671 0.338 1.00 0.00 C ATOM 636 C ARG A 40 -7.683 6.639 0.300 1.00 0.00 C ATOM 637 O ARG A 40 -7.044 6.173 1.242 1.00 0.00 O ATOM 638 CB ARG A 40 -9.669 7.434 1.583 1.00 0.00 C ATOM 639 CG ARG A 40 -10.666 8.534 1.216 1.00 0.00 C ATOM 640 CD ARG A 40 -12.079 8.171 1.678 1.00 0.00 C ATOM 641 NE ARG A 40 -12.806 9.391 2.092 1.00 0.00 N ATOM 642 CZ ARG A 40 -14.150 9.514 2.074 1.00 0.00 C ATOM 643 NH1 ARG A 40 -14.926 8.490 1.660 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.694 10.651 2.466 1.00 0.00 N ATOM 0 H ARG A 40 -10.174 5.024 1.204 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.591 7.183 -0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.128 6.743 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.805 7.873 2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.360 9.474 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.661 8.689 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.617 7.673 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.029 7.468 2.509 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.257 10.189 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.497 7.615 1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.941 8.591 1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.100 11.420 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.708 10.760 2.459 1.00 0.00 H new ATOM 657 N VAL A 41 -7.139 7.142 -0.799 1.00 0.00 N ATOM 658 CA VAL A 41 -5.697 7.177 -0.972 1.00 0.00 C ATOM 659 C VAL A 41 -5.143 8.456 -0.342 1.00 0.00 C ATOM 660 O VAL A 41 -5.807 9.492 -0.346 1.00 0.00 O ATOM 661 CB VAL A 41 -5.344 7.040 -2.454 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.795 8.271 -3.242 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.846 6.788 -2.640 1.00 0.00 C ATOM 0 H VAL A 41 -7.671 7.529 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.231 6.334 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.880 6.176 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.532 8.147 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.875 8.386 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.300 9.158 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.622 6.694 -3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.282 7.622 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.565 5.868 -2.128 1.00 0.00 H new ATOM 673 N GLY A 42 -3.933 8.343 0.185 1.00 0.00 N ATOM 674 CA GLY A 42 -3.282 9.478 0.817 1.00 0.00 C ATOM 675 C GLY A 42 -1.761 9.309 0.816 1.00 0.00 C ATOM 676 O GLY A 42 -1.176 8.939 -0.201 1.00 0.00 O ATOM 0 H GLY A 42 -3.386 7.482 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.550 10.394 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.639 9.582 1.842 1.00 0.00 H new ATOM 680 N ARG A 43 -1.166 9.589 1.966 1.00 0.00 N ATOM 681 CA ARG A 43 0.275 9.473 2.110 1.00 0.00 C ATOM 682 C ARG A 43 0.649 9.290 3.582 1.00 0.00 C ATOM 683 O ARG A 43 0.001 9.851 4.465 1.00 0.00 O ATOM 684 CB ARG A 43 0.985 10.712 1.560 1.00 0.00 C ATOM 685 CG ARG A 43 2.343 10.344 0.958 1.00 0.00 C ATOM 686 CD ARG A 43 2.707 11.288 -0.190 1.00 0.00 C ATOM 687 NE ARG A 43 3.534 12.406 0.317 1.00 0.00 N ATOM 688 CZ ARG A 43 4.372 13.135 -0.450 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.500 12.871 -1.768 1.00 0.00 N ATOM 690 NH2 ARG A 43 5.063 14.112 0.108 1.00 0.00 N ATOM 0 H ARG A 43 -1.656 9.896 2.807 1.00 0.00 H new ATOM 0 HA ARG A 43 0.596 8.601 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.363 11.185 0.800 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.123 11.441 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.112 10.390 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.318 9.317 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.251 10.743 -0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.800 11.677 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 43 3.466 12.640 1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.961 12.116 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.136 13.427 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.959 14.306 1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.701 14.673 -0.457 1.00 0.00 H new ATOM 703 N PHE A 44 1.692 8.503 3.802 1.00 0.00 N ATOM 704 CA PHE A 44 2.159 8.239 5.152 1.00 0.00 C ATOM 705 C PHE A 44 2.936 9.435 5.707 1.00 0.00 C ATOM 706 O PHE A 44 2.869 9.723 6.901 1.00 0.00 O ATOM 707 CB PHE A 44 3.095 7.031 5.073 1.00 0.00 C ATOM 708 CG PHE A 44 3.037 6.119 6.300 1.00 0.00 C ATOM 709 CD1 PHE A 44 3.328 6.616 7.532 1.00 0.00 C ATOM 710 CD2 PHE A 44 2.694 4.810 6.159 1.00 0.00 C ATOM 711 CE1 PHE A 44 3.274 5.769 8.671 1.00 0.00 C ATOM 712 CE2 PHE A 44 2.641 3.963 7.297 1.00 0.00 C ATOM 713 CZ PHE A 44 2.931 4.460 8.529 1.00 0.00 C ATOM 0 H PHE A 44 2.227 8.040 3.068 1.00 0.00 H new ATOM 0 HA PHE A 44 1.310 8.054 5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.845 6.448 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.118 7.384 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.600 7.655 7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.462 4.415 5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.505 6.164 9.649 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.370 2.924 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.889 3.816 9.395 1.00 0.00 H new ATOM 723 N GLU A 45 3.654 10.099 4.814 1.00 0.00 N ATOM 724 CA GLU A 45 4.442 11.258 5.199 1.00 0.00 C ATOM 725 C GLU A 45 3.599 12.217 6.042 1.00 0.00 C ATOM 726 O GLU A 45 4.030 12.654 7.108 1.00 0.00 O ATOM 727 CB GLU A 45 5.014 11.966 3.969 1.00 0.00 C ATOM 728 CG GLU A 45 6.534 12.104 4.072 1.00 0.00 C ATOM 729 CD GLU A 45 7.196 11.907 2.708 1.00 0.00 C ATOM 730 OE1 GLU A 45 7.158 10.798 2.154 1.00 0.00 O ATOM 731 OE2 GLU A 45 7.766 12.957 2.221 1.00 0.00 O ATOM 0 H GLU A 45 3.707 9.857 3.825 1.00 0.00 H new ATOM 0 HA GLU A 45 5.282 10.917 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.756 11.406 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.562 12.953 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.788 13.089 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.922 11.370 4.778 1.00 0.00 H new ATOM 739 N ASP A 46 2.413 12.515 5.533 1.00 0.00 N ATOM 740 CA ASP A 46 1.506 13.414 6.226 1.00 0.00 C ATOM 741 C ASP A 46 0.356 13.792 5.290 1.00 0.00 C ATOM 742 O ASP A 46 -0.782 13.949 5.731 1.00 0.00 O ATOM 743 CB ASP A 46 2.219 14.702 6.642 1.00 0.00 C ATOM 744 CG ASP A 46 1.704 15.974 5.965 1.00 0.00 C ATOM 745 OD1 ASP A 46 0.647 16.510 6.331 1.00 0.00 O ATOM 746 OD2 ASP A 46 2.447 16.422 5.010 1.00 0.00 O ATOM 0 H ASP A 46 2.059 12.150 4.649 1.00 0.00 H new ATOM 0 HA ASP A 46 1.137 12.902 7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.125 14.819 7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.282 14.598 6.424 1.00 0.00 H new ATOM 752 N ASP A 47 0.692 13.926 4.016 1.00 0.00 N ATOM 753 CA ASP A 47 -0.299 14.282 3.014 1.00 0.00 C ATOM 754 C ASP A 47 -1.615 13.567 3.328 1.00 0.00 C ATOM 755 O ASP A 47 -2.692 14.091 3.049 1.00 0.00 O ATOM 756 CB ASP A 47 0.151 13.852 1.616 1.00 0.00 C ATOM 757 CG ASP A 47 0.311 14.993 0.609 1.00 0.00 C ATOM 758 OD1 ASP A 47 0.299 16.177 0.977 1.00 0.00 O ATOM 759 OD2 ASP A 47 0.454 14.621 -0.618 1.00 0.00 O ATOM 0 H ASP A 47 1.636 13.795 3.654 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.425 15.364 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.103 13.327 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.572 13.138 1.222 1.00 0.00 H new ATOM 765 N GLY A 48 -1.484 12.381 3.903 1.00 0.00 N ATOM 766 CA GLY A 48 -2.649 11.588 4.257 1.00 0.00 C ATOM 767 C GLY A 48 -3.682 11.597 3.129 1.00 0.00 C ATOM 768 O GLY A 48 -3.337 11.816 1.968 1.00 0.00 O ATOM 0 H GLY A 48 -0.589 11.950 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.345 10.563 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.098 11.982 5.169 1.00 0.00 H new ATOM 772 N TYR A 49 -4.928 11.355 3.508 1.00 0.00 N ATOM 773 CA TYR A 49 -6.013 11.332 2.542 1.00 0.00 C ATOM 774 C TYR A 49 -5.858 12.456 1.516 1.00 0.00 C ATOM 775 O TYR A 49 -5.875 13.634 1.871 1.00 0.00 O ATOM 776 CB TYR A 49 -7.296 11.563 3.343 1.00 0.00 C ATOM 777 CG TYR A 49 -8.450 12.138 2.519 1.00 0.00 C ATOM 778 CD1 TYR A 49 -8.994 11.400 1.487 1.00 0.00 C ATOM 779 CD2 TYR A 49 -8.946 13.393 2.807 1.00 0.00 C ATOM 780 CE1 TYR A 49 -10.080 11.941 0.711 1.00 0.00 C ATOM 781 CE2 TYR A 49 -10.032 13.933 2.031 1.00 0.00 C ATOM 782 CZ TYR A 49 -10.545 13.181 1.021 1.00 0.00 C ATOM 783 OH TYR A 49 -11.571 13.691 0.288 1.00 0.00 O ATOM 0 H TYR A 49 -5.210 11.173 4.471 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.023 10.387 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.613 10.617 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.079 12.241 4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.606 10.418 1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.520 13.970 3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.515 11.375 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.430 14.914 2.246 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.800 14.583 0.622 1.00 0.00 H new ATOM 793 N PHE A 50 -5.709 12.053 0.262 1.00 0.00 N ATOM 794 CA PHE A 50 -5.551 13.011 -0.818 1.00 0.00 C ATOM 795 C PHE A 50 -6.631 12.819 -1.885 1.00 0.00 C ATOM 796 O PHE A 50 -7.143 13.792 -2.437 1.00 0.00 O ATOM 797 CB PHE A 50 -4.179 12.755 -1.446 1.00 0.00 C ATOM 798 CG PHE A 50 -3.329 14.015 -1.620 1.00 0.00 C ATOM 799 CD1 PHE A 50 -3.156 14.868 -0.575 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.746 14.281 -2.820 1.00 0.00 C ATOM 801 CE1 PHE A 50 -2.367 16.037 -0.737 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.956 15.450 -2.981 1.00 0.00 C ATOM 803 CZ PHE A 50 -1.783 16.304 -1.936 1.00 0.00 C ATOM 0 H PHE A 50 -5.694 11.076 -0.029 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.638 14.026 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.634 12.044 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.319 12.286 -2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.619 14.656 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.884 13.604 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.230 16.715 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.492 15.661 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.182 17.193 -2.058 1.00 0.00 H new ATOM 813 N CYS A 51 -6.946 11.558 -2.141 1.00 0.00 N ATOM 814 CA CYS A 51 -7.956 11.226 -3.131 1.00 0.00 C ATOM 815 C CYS A 51 -8.631 9.919 -2.709 1.00 0.00 C ATOM 816 O CYS A 51 -8.302 9.355 -1.667 1.00 0.00 O ATOM 817 CB CYS A 51 -7.360 11.132 -4.538 1.00 0.00 C ATOM 818 SG CYS A 51 -6.291 12.581 -4.862 1.00 0.00 S ATOM 0 H CYS A 51 -6.520 10.754 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.701 12.021 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.781 10.213 -4.636 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.159 11.086 -5.278 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.640 13.561 -4.082 1.00 0.00 H new ATOM 824 N THR A 52 -9.563 9.476 -3.541 1.00 0.00 N ATOM 825 CA THR A 52 -10.287 8.247 -3.267 1.00 0.00 C ATOM 826 C THR A 52 -10.267 7.332 -4.493 1.00 0.00 C ATOM 827 O THR A 52 -10.230 7.808 -5.626 1.00 0.00 O ATOM 828 CB THR A 52 -11.699 8.621 -2.811 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.487 9.574 -1.772 1.00 0.00 O ATOM 830 CG2 THR A 52 -12.415 7.463 -2.113 1.00 0.00 C ATOM 0 H THR A 52 -9.833 9.947 -4.405 1.00 0.00 H new ATOM 0 HA THR A 52 -9.812 7.678 -2.468 1.00 0.00 H new ATOM 0 HB THR A 52 -12.285 8.944 -3.672 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.352 9.872 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.412 7.782 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.496 6.619 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.847 7.162 -1.233 1.00 0.00 H new ATOM 838 N ILE A 53 -10.293 6.035 -4.224 1.00 0.00 N ATOM 839 CA ILE A 53 -10.279 5.049 -5.291 1.00 0.00 C ATOM 840 C ILE A 53 -11.156 3.860 -4.893 1.00 0.00 C ATOM 841 O ILE A 53 -11.586 3.758 -3.745 1.00 0.00 O ATOM 842 CB ILE A 53 -8.841 4.662 -5.643 1.00 0.00 C ATOM 843 CG1 ILE A 53 -8.431 3.371 -4.932 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.876 5.811 -5.347 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.626 2.157 -5.843 1.00 0.00 C ATOM 0 H ILE A 53 -10.324 5.644 -3.282 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.705 5.468 -6.203 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.792 4.469 -6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.387 3.436 -4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.022 3.248 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.861 5.510 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.157 6.683 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.921 6.060 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.327 1.253 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.675 2.081 -6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.015 2.272 -6.738 1.00 0.00 H new ATOM 857 N GLU A 54 -11.396 2.991 -5.864 1.00 0.00 N ATOM 858 CA GLU A 54 -12.214 1.813 -5.629 1.00 0.00 C ATOM 859 C GLU A 54 -11.359 0.548 -5.713 1.00 0.00 C ATOM 860 O GLU A 54 -10.519 0.419 -6.603 1.00 0.00 O ATOM 861 CB GLU A 54 -13.382 1.752 -6.615 1.00 0.00 C ATOM 862 CG GLU A 54 -14.675 1.339 -5.909 1.00 0.00 C ATOM 863 CD GLU A 54 -15.902 1.782 -6.707 1.00 0.00 C ATOM 864 OE1 GLU A 54 -16.043 1.414 -7.883 1.00 0.00 O ATOM 865 OE2 GLU A 54 -16.727 2.537 -6.064 1.00 0.00 O ATOM 0 H GLU A 54 -11.038 3.079 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.632 1.879 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.516 2.726 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.155 1.042 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.693 0.257 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.706 1.780 -4.913 1.00 0.00 H new ATOM 873 N VAL A 55 -11.602 -0.356 -4.775 1.00 0.00 N ATOM 874 CA VAL A 55 -10.864 -1.607 -4.731 1.00 0.00 C ATOM 875 C VAL A 55 -11.071 -2.361 -6.046 1.00 0.00 C ATOM 876 O VAL A 55 -12.028 -2.099 -6.773 1.00 0.00 O ATOM 877 CB VAL A 55 -11.283 -2.419 -3.504 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.118 -3.261 -2.981 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.837 -1.508 -2.407 1.00 0.00 C ATOM 0 H VAL A 55 -12.300 -0.247 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.795 -1.417 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.079 -3.099 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.442 -3.829 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.788 -3.949 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.293 -2.606 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.127 -2.110 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.071 -0.792 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.707 -0.972 -2.785 1.00 0.00 H new ATOM 889 N THR A 56 -10.157 -3.284 -6.312 1.00 0.00 N ATOM 890 CA THR A 56 -10.227 -4.078 -7.527 1.00 0.00 C ATOM 891 C THR A 56 -10.240 -5.570 -7.188 1.00 0.00 C ATOM 892 O THR A 56 -10.971 -6.344 -7.805 1.00 0.00 O ATOM 893 CB THR A 56 -9.059 -3.670 -8.427 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.247 -4.441 -9.610 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.709 -4.142 -7.884 1.00 0.00 C ATOM 0 H THR A 56 -9.365 -3.499 -5.707 1.00 0.00 H new ATOM 0 HA THR A 56 -11.154 -3.891 -8.069 1.00 0.00 H new ATOM 0 HB THR A 56 -9.046 -2.586 -8.537 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.533 -4.237 -10.250 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.914 -3.826 -8.560 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.541 -3.707 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.708 -5.229 -7.806 1.00 0.00 H new ATOM 903 N ALA A 57 -9.424 -5.929 -6.209 1.00 0.00 N ATOM 904 CA ALA A 57 -9.332 -7.315 -5.780 1.00 0.00 C ATOM 905 C ALA A 57 -8.649 -7.377 -4.413 1.00 0.00 C ATOM 906 O ALA A 57 -8.102 -6.381 -3.942 1.00 0.00 O ATOM 907 CB ALA A 57 -8.589 -8.129 -6.842 1.00 0.00 C ATOM 0 H ALA A 57 -8.820 -5.284 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.325 -7.751 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.520 -9.168 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.131 -8.076 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.586 -7.723 -6.976 1.00 0.00 H new ATOM 913 N THR A 58 -8.702 -8.558 -3.814 1.00 0.00 N ATOM 914 CA THR A 58 -8.095 -8.764 -2.510 1.00 0.00 C ATOM 915 C THR A 58 -7.541 -10.186 -2.398 1.00 0.00 C ATOM 916 O THR A 58 -8.058 -11.108 -3.026 1.00 0.00 O ATOM 917 CB THR A 58 -9.141 -8.433 -1.444 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.083 -7.014 -1.328 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.742 -8.937 -0.056 1.00 0.00 C ATOM 0 H THR A 58 -9.156 -9.382 -4.208 1.00 0.00 H new ATOM 0 HA THR A 58 -7.240 -8.104 -2.363 1.00 0.00 H new ATOM 0 HB THR A 58 -10.098 -8.870 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.935 -6.627 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.519 -8.676 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.622 -10.020 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.801 -8.475 0.242 1.00 0.00 H new ATOM 927 N SER A 59 -6.496 -10.318 -1.594 1.00 0.00 N ATOM 928 CA SER A 59 -5.867 -11.612 -1.392 1.00 0.00 C ATOM 929 C SER A 59 -5.130 -11.631 -0.051 1.00 0.00 C ATOM 930 O SER A 59 -4.947 -10.589 0.576 1.00 0.00 O ATOM 931 CB SER A 59 -4.902 -11.939 -2.533 1.00 0.00 C ATOM 932 OG SER A 59 -4.665 -10.812 -3.372 1.00 0.00 O ATOM 0 H SER A 59 -6.069 -9.550 -1.075 1.00 0.00 H new ATOM 0 HA SER A 59 -6.646 -12.374 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.956 -12.288 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.309 -12.755 -3.129 1.00 0.00 H new ATOM 0 HG SER A 59 -4.043 -11.061 -4.087 1.00 0.00 H new ATOM 938 N THR A 60 -4.725 -12.828 0.349 1.00 0.00 N ATOM 939 CA THR A 60 -4.012 -12.996 1.603 1.00 0.00 C ATOM 940 C THR A 60 -2.572 -13.444 1.342 1.00 0.00 C ATOM 941 O THR A 60 -2.333 -14.595 0.979 1.00 0.00 O ATOM 942 CB THR A 60 -4.805 -13.976 2.470 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.577 -14.722 1.533 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.851 -13.274 3.339 1.00 0.00 C ATOM 0 H THR A 60 -4.877 -13.690 -0.174 1.00 0.00 H new ATOM 0 HA THR A 60 -3.933 -12.052 2.143 1.00 0.00 H new ATOM 0 HB THR A 60 -4.119 -14.535 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.121 -15.383 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.386 -14.014 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.356 -12.564 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.557 -12.743 2.701 1.00 0.00 H new ATOM 952 N VAL A 61 -1.652 -12.511 1.537 1.00 0.00 N ATOM 953 CA VAL A 61 -0.242 -12.796 1.328 1.00 0.00 C ATOM 954 C VAL A 61 0.599 -11.783 2.107 1.00 0.00 C ATOM 955 O VAL A 61 0.063 -10.838 2.683 1.00 0.00 O ATOM 956 CB VAL A 61 0.072 -12.808 -0.170 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.946 -14.009 -0.536 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.213 -12.792 -1.000 1.00 0.00 C ATOM 0 H VAL A 61 -1.855 -11.558 1.837 1.00 0.00 H new ATOM 0 HA VAL A 61 0.009 -13.787 1.707 1.00 0.00 H new ATOM 0 HB VAL A 61 0.632 -11.902 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.155 -13.994 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.884 -13.959 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.423 -14.931 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.961 -12.801 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.811 -13.672 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.783 -11.892 -0.770 1.00 0.00 H new ATOM 968 N THR A 62 1.904 -12.014 2.098 1.00 0.00 N ATOM 969 CA THR A 62 2.824 -11.134 2.797 1.00 0.00 C ATOM 970 C THR A 62 2.889 -9.772 2.104 1.00 0.00 C ATOM 971 O THR A 62 1.938 -9.364 1.438 1.00 0.00 O ATOM 972 CB THR A 62 4.180 -11.838 2.881 1.00 0.00 C ATOM 973 OG1 THR A 62 3.911 -13.164 2.434 1.00 0.00 O ATOM 974 CG2 THR A 62 4.657 -12.020 4.323 1.00 0.00 C ATOM 0 H THR A 62 2.345 -12.798 1.618 1.00 0.00 H new ATOM 0 HA THR A 62 2.483 -10.931 3.812 1.00 0.00 H new ATOM 0 HB THR A 62 4.921 -11.265 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.526 -13.788 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.623 -12.524 4.326 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.755 -11.045 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.933 -12.621 4.873 1.00 0.00 H new ATOM 982 N LEU A 63 4.020 -9.105 2.283 1.00 0.00 N ATOM 983 CA LEU A 63 4.221 -7.797 1.683 1.00 0.00 C ATOM 984 C LEU A 63 5.118 -7.938 0.452 1.00 0.00 C ATOM 985 O LEU A 63 4.672 -7.723 -0.674 1.00 0.00 O ATOM 986 CB LEU A 63 4.753 -6.807 2.722 1.00 0.00 C ATOM 987 CG LEU A 63 5.920 -7.299 3.581 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.204 -6.536 3.251 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.575 -7.222 5.070 1.00 0.00 C ATOM 0 H LEU A 63 4.807 -9.446 2.835 1.00 0.00 H new ATOM 0 HA LEU A 63 3.272 -7.385 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.066 -5.900 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.933 -6.529 3.384 1.00 0.00 H new ATOM 0 HG LEU A 63 6.099 -8.348 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.017 -6.905 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.456 -6.685 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.055 -5.473 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.421 -7.577 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.354 -6.189 5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.704 -7.845 5.274 1.00 0.00 H new ATOM 1001 N ASP A 64 6.368 -8.298 0.708 1.00 0.00 N ATOM 1002 CA ASP A 64 7.331 -8.471 -0.366 1.00 0.00 C ATOM 1003 C ASP A 64 6.894 -9.635 -1.257 1.00 0.00 C ATOM 1004 O ASP A 64 7.490 -9.877 -2.305 1.00 0.00 O ATOM 1005 CB ASP A 64 8.720 -8.795 0.188 1.00 0.00 C ATOM 1006 CG ASP A 64 9.880 -8.092 -0.521 1.00 0.00 C ATOM 1007 OD1 ASP A 64 10.308 -7.001 -0.117 1.00 0.00 O ATOM 1008 OD2 ASP A 64 10.354 -8.719 -1.544 1.00 0.00 O ATOM 0 H ASP A 64 6.735 -8.474 1.643 1.00 0.00 H new ATOM 0 HA ASP A 64 7.375 -7.540 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.744 -8.528 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.876 -9.872 0.128 1.00 0.00 H new ATOM 1014 N THR A 65 5.855 -10.324 -0.807 1.00 0.00 N ATOM 1015 CA THR A 65 5.331 -11.457 -1.550 1.00 0.00 C ATOM 1016 C THR A 65 4.573 -10.977 -2.789 1.00 0.00 C ATOM 1017 O THR A 65 4.158 -11.785 -3.619 1.00 0.00 O ATOM 1018 CB THR A 65 4.472 -12.291 -0.597 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.970 -11.341 0.339 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.305 -13.250 0.255 1.00 0.00 C ATOM 0 H THR A 65 5.363 -10.119 0.062 1.00 0.00 H new ATOM 0 HA THR A 65 6.135 -12.091 -1.925 1.00 0.00 H new ATOM 0 HB THR A 65 3.740 -12.859 -1.171 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.355 -10.728 -0.115 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.647 -13.817 0.913 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.848 -13.936 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.015 -12.681 0.855 1.00 0.00 H new ATOM 1028 N LEU A 66 4.414 -9.664 -2.875 1.00 0.00 N ATOM 1029 CA LEU A 66 3.713 -9.067 -3.999 1.00 0.00 C ATOM 1030 C LEU A 66 3.945 -7.555 -3.994 1.00 0.00 C ATOM 1031 O LEU A 66 4.244 -6.965 -5.031 1.00 0.00 O ATOM 1032 CB LEU A 66 2.236 -9.463 -3.981 1.00 0.00 C ATOM 1033 CG LEU A 66 1.481 -9.175 -2.681 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.996 -7.725 -2.638 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.334 -10.169 -2.482 1.00 0.00 C ATOM 0 H LEU A 66 4.759 -8.997 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 66 4.109 -9.447 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.731 -8.943 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.164 -10.530 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 66 2.172 -9.308 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.463 -7.547 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.852 -7.053 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.327 -7.540 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.186 -9.943 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.364 -10.091 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.734 -11.182 -2.437 1.00 0.00 H new ATOM 1047 N THR A 67 3.799 -6.970 -2.814 1.00 0.00 N ATOM 1048 CA THR A 67 3.988 -5.538 -2.660 1.00 0.00 C ATOM 1049 C THR A 67 5.228 -5.078 -3.429 1.00 0.00 C ATOM 1050 O THR A 67 6.174 -5.845 -3.603 1.00 0.00 O ATOM 1051 CB THR A 67 4.052 -5.228 -1.163 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.514 -3.912 -1.057 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.488 -5.084 -0.655 1.00 0.00 C ATOM 0 H THR A 67 3.552 -7.462 -1.955 1.00 0.00 H new ATOM 0 HA THR A 67 3.154 -4.981 -3.087 1.00 0.00 H new ATOM 0 HB THR A 67 3.548 -6.019 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.561 -3.614 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.476 -4.864 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.030 -6.014 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.982 -4.271 -1.187 1.00 0.00 H new ATOM 1061 N GLU A 68 5.184 -3.829 -3.868 1.00 0.00 N ATOM 1062 CA GLU A 68 6.292 -3.258 -4.614 1.00 0.00 C ATOM 1063 C GLU A 68 7.620 -3.592 -3.931 1.00 0.00 C ATOM 1064 O GLU A 68 8.668 -3.606 -4.575 1.00 0.00 O ATOM 1065 CB GLU A 68 6.124 -1.746 -4.775 1.00 0.00 C ATOM 1066 CG GLU A 68 5.467 -1.407 -6.115 1.00 0.00 C ATOM 1067 CD GLU A 68 6.431 -0.634 -7.018 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.596 -1.034 -7.167 1.00 0.00 O ATOM 1069 OE2 GLU A 68 5.932 0.416 -7.576 1.00 0.00 O ATOM 0 H GLU A 68 4.398 -3.196 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 68 6.298 -3.698 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.516 -1.355 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.097 -1.259 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.153 -2.325 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.569 -0.814 -5.944 1.00 0.00 H new ATOM 1077 N LYS A 69 7.533 -3.853 -2.635 1.00 0.00 N ATOM 1078 CA LYS A 69 8.714 -4.186 -1.857 1.00 0.00 C ATOM 1079 C LYS A 69 9.541 -5.228 -2.615 1.00 0.00 C ATOM 1080 O LYS A 69 10.765 -5.261 -2.494 1.00 0.00 O ATOM 1081 CB LYS A 69 8.321 -4.622 -0.445 1.00 0.00 C ATOM 1082 CG LYS A 69 9.519 -4.552 0.504 1.00 0.00 C ATOM 1083 CD LYS A 69 9.678 -3.146 1.084 1.00 0.00 C ATOM 1084 CE LYS A 69 8.365 -2.652 1.694 1.00 0.00 C ATOM 1085 NZ LYS A 69 7.740 -1.632 0.822 1.00 0.00 N ATOM 0 H LYS A 69 6.662 -3.841 -2.104 1.00 0.00 H new ATOM 0 HA LYS A 69 9.346 -3.307 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.520 -3.983 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.931 -5.640 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.389 -5.270 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.427 -4.834 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.458 -3.149 1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.000 -2.460 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.682 -3.491 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.552 -2.230 2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.705 -1.705 0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.041 -0.684 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.035 -1.789 -0.163 1.00 0.00 H new ATOM 1098 N HIS A 70 8.839 -6.052 -3.378 1.00 0.00 N ATOM 1099 CA HIS A 70 9.493 -7.091 -4.155 1.00 0.00 C ATOM 1100 C HIS A 70 10.422 -6.452 -5.189 1.00 0.00 C ATOM 1101 O HIS A 70 11.598 -6.801 -5.272 1.00 0.00 O ATOM 1102 CB HIS A 70 8.461 -8.030 -4.784 1.00 0.00 C ATOM 1103 CG HIS A 70 8.988 -8.828 -5.952 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.301 -8.447 -7.224 1.00 0.00 N flip ATOM 1105 CD2 HIS A 70 9.247 -10.186 -5.877 1.00 0.00 C flip ATOM 1106 CE1 HIS A 70 9.730 -9.513 -7.888 1.00 0.00 C flip ATOM 1107 NE2 HIS A 70 9.696 -10.592 -7.055 1.00 0.00 N flip ATOM 0 H HIS A 70 7.824 -6.021 -3.475 1.00 0.00 H new ATOM 0 HA HIS A 70 10.107 -7.708 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.099 -8.719 -4.021 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.605 -7.442 -5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.107 -10.809 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.053 -9.524 -8.919 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.969 -11.545 -7.297 1.00 0.00 H new ATOM 1115 N ALA A 71 9.857 -5.528 -5.953 1.00 0.00 N ATOM 1116 CA ALA A 71 10.620 -4.837 -6.978 1.00 0.00 C ATOM 1117 C ALA A 71 11.824 -4.147 -6.334 1.00 0.00 C ATOM 1118 O ALA A 71 12.932 -4.199 -6.867 1.00 0.00 O ATOM 1119 CB ALA A 71 9.710 -3.853 -7.716 1.00 0.00 C ATOM 0 H ALA A 71 8.880 -5.242 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 71 11.001 -5.544 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.283 -3.335 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.887 -4.397 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.311 -3.126 -7.009 1.00 0.00 H new ATOM 1125 N GLU A 72 11.567 -3.516 -5.198 1.00 0.00 N ATOM 1126 CA GLU A 72 12.616 -2.817 -4.476 1.00 0.00 C ATOM 1127 C GLU A 72 13.683 -3.805 -4.001 1.00 0.00 C ATOM 1128 O GLU A 72 14.878 -3.534 -4.110 1.00 0.00 O ATOM 1129 CB GLU A 72 12.039 -2.026 -3.300 1.00 0.00 C ATOM 1130 CG GLU A 72 12.791 -0.708 -3.104 1.00 0.00 C ATOM 1131 CD GLU A 72 11.999 0.246 -2.207 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.921 -0.117 -1.715 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.543 1.403 -2.028 1.00 0.00 O ATOM 0 H GLU A 72 10.647 -3.474 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 72 13.085 -2.105 -5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.983 -1.823 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.101 -2.623 -2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.767 -0.904 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.969 -0.239 -4.072 1.00 0.00 H new ATOM 1141 N GLN A 73 13.213 -4.931 -3.483 1.00 0.00 N ATOM 1142 CA GLN A 73 14.112 -5.961 -2.991 1.00 0.00 C ATOM 1143 C GLN A 73 15.121 -6.347 -4.074 1.00 0.00 C ATOM 1144 O GLN A 73 16.284 -6.614 -3.777 1.00 0.00 O ATOM 1145 CB GLN A 73 13.331 -7.185 -2.508 1.00 0.00 C ATOM 1146 CG GLN A 73 14.094 -8.476 -2.809 1.00 0.00 C ATOM 1147 CD GLN A 73 13.454 -9.670 -2.098 1.00 0.00 C ATOM 1148 OE1 GLN A 73 12.858 -10.542 -2.707 1.00 0.00 O ATOM 1149 NE2 GLN A 73 13.612 -9.660 -0.777 1.00 0.00 N ATOM 0 H GLN A 73 12.221 -5.152 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 73 14.660 -5.560 -2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.151 -7.106 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.356 -7.213 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.107 -8.653 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.131 -8.372 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.123 -8.898 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.222 -10.414 -0.211 1.00 0.00 H new ATOM 1158 N GLU A 74 14.638 -6.364 -5.308 1.00 0.00 N ATOM 1159 CA GLU A 74 15.483 -6.713 -6.437 1.00 0.00 C ATOM 1160 C GLU A 74 15.985 -5.448 -7.136 1.00 0.00 C ATOM 1161 O GLU A 74 16.272 -5.467 -8.332 1.00 0.00 O ATOM 1162 CB GLU A 74 14.740 -7.623 -7.418 1.00 0.00 C ATOM 1163 CG GLU A 74 15.503 -8.930 -7.639 1.00 0.00 C ATOM 1164 CD GLU A 74 16.255 -8.908 -8.972 1.00 0.00 C ATOM 1165 OE1 GLU A 74 17.095 -8.025 -9.195 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.939 -9.854 -9.791 1.00 0.00 O ATOM 0 H GLU A 74 13.672 -6.142 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 74 16.346 -7.264 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.743 -7.840 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.610 -7.108 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.208 -9.086 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.807 -9.769 -7.624 1.00 0.00 H new ATOM 1174 N ASN A 75 16.076 -4.378 -6.359 1.00 0.00 N ATOM 1175 CA ASN A 75 16.538 -3.106 -6.889 1.00 0.00 C ATOM 1176 C ASN A 75 17.367 -2.387 -5.823 1.00 0.00 C ATOM 1177 O ASN A 75 18.543 -2.096 -6.037 1.00 0.00 O ATOM 1178 CB ASN A 75 15.360 -2.204 -7.261 1.00 0.00 C ATOM 1179 CG ASN A 75 15.750 -1.222 -8.368 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.860 -0.719 -8.425 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.777 -0.978 -9.241 1.00 0.00 N ATOM 0 H ASN A 75 15.838 -4.366 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 75 17.133 -3.307 -7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.520 -2.815 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.027 -1.653 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.937 -0.336 -10.017 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.870 -1.433 -9.135 1.00 0.00 H new ATOM 1188 N MET A 76 16.721 -2.119 -4.698 1.00 0.00 N ATOM 1189 CA MET A 76 17.384 -1.438 -3.598 1.00 0.00 C ATOM 1190 C MET A 76 18.028 -2.443 -2.640 1.00 0.00 C ATOM 1191 O MET A 76 17.902 -3.652 -2.826 1.00 0.00 O ATOM 1192 CB MET A 76 16.366 -0.587 -2.837 1.00 0.00 C ATOM 1193 CG MET A 76 15.535 0.265 -3.799 1.00 0.00 C ATOM 1194 SD MET A 76 16.598 1.376 -4.705 1.00 0.00 S ATOM 1195 CE MET A 76 15.615 1.616 -6.175 1.00 0.00 C ATOM 0 H MET A 76 15.745 -2.361 -4.524 1.00 0.00 H new ATOM 0 HA MET A 76 18.168 -0.802 -4.008 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.708 -1.233 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.884 0.059 -2.128 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.993 -0.378 -4.492 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.790 0.834 -3.243 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.269 1.663 -7.046 1.00 0.00 H new ATOM 0 HE2 MET A 76 14.919 0.784 -6.287 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.056 2.548 -6.091 1.00 0.00 H new ATOM 1205 N THR A 77 18.703 -1.904 -1.636 1.00 0.00 N ATOM 1206 CA THR A 77 19.367 -2.738 -0.648 1.00 0.00 C ATOM 1207 C THR A 77 18.439 -2.999 0.540 1.00 0.00 C ATOM 1208 O THR A 77 17.326 -2.477 0.589 1.00 0.00 O ATOM 1209 CB THR A 77 20.679 -2.054 -0.256 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.191 -2.863 0.799 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.455 -0.689 0.397 1.00 0.00 C ATOM 0 H THR A 77 18.805 -0.900 -1.485 1.00 0.00 H new ATOM 0 HA THR A 77 19.605 -3.720 -1.056 1.00 0.00 H new ATOM 0 HB THR A 77 21.304 -1.935 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.042 -2.492 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.417 -0.247 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.930 -0.034 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.858 -0.811 1.300 1.00 0.00 H new ATOM 1219 N LEU A 78 18.932 -3.805 1.469 1.00 0.00 N ATOM 1220 CA LEU A 78 18.161 -4.142 2.654 1.00 0.00 C ATOM 1221 C LEU A 78 17.871 -2.866 3.447 1.00 0.00 C ATOM 1222 O LEU A 78 16.800 -2.727 4.036 1.00 0.00 O ATOM 1223 CB LEU A 78 18.874 -5.223 3.467 1.00 0.00 C ATOM 1224 CG LEU A 78 18.432 -6.664 3.201 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.539 -7.457 2.505 1.00 0.00 C ATOM 1226 CD2 LEU A 78 17.965 -7.342 4.491 1.00 0.00 C ATOM 0 H LEU A 78 19.856 -4.235 1.425 1.00 0.00 H new ATOM 0 HA LEU A 78 17.198 -4.570 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.944 -5.150 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.728 -5.009 4.526 1.00 0.00 H new ATOM 0 HG LEU A 78 17.579 -6.640 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.199 -8.477 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.782 -6.985 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.426 -7.475 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.657 -8.365 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 78 18.783 -7.355 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.123 -6.790 4.908 1.00 0.00 H new ATOM 1238 N THR A 79 18.843 -1.967 3.436 1.00 0.00 N ATOM 1239 CA THR A 79 18.706 -0.707 4.147 1.00 0.00 C ATOM 1240 C THR A 79 17.460 0.042 3.670 1.00 0.00 C ATOM 1241 O THR A 79 16.649 0.486 4.481 1.00 0.00 O ATOM 1242 CB THR A 79 20.001 0.086 3.959 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.858 -0.399 4.989 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.830 1.571 4.285 1.00 0.00 C ATOM 0 H THR A 79 19.730 -2.086 2.946 1.00 0.00 H new ATOM 0 HA THR A 79 18.560 -0.870 5.215 1.00 0.00 H new ATOM 0 HB THR A 79 20.347 -0.023 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.722 0.061 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.778 2.088 4.135 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.074 2.003 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.516 1.682 5.323 1.00 0.00 H new ATOM 1252 N GLU A 80 17.347 0.159 2.355 1.00 0.00 N ATOM 1253 CA GLU A 80 16.214 0.847 1.760 1.00 0.00 C ATOM 1254 C GLU A 80 14.920 0.080 2.042 1.00 0.00 C ATOM 1255 O GLU A 80 13.934 0.663 2.491 1.00 0.00 O ATOM 1256 CB GLU A 80 16.419 1.042 0.256 1.00 0.00 C ATOM 1257 CG GLU A 80 16.553 2.526 -0.091 1.00 0.00 C ATOM 1258 CD GLU A 80 16.119 2.793 -1.534 1.00 0.00 C ATOM 1259 OE1 GLU A 80 16.973 2.986 -2.412 1.00 0.00 O ATOM 1260 OE2 GLU A 80 14.844 2.795 -1.728 1.00 0.00 O ATOM 0 H GLU A 80 18.021 -0.211 1.685 1.00 0.00 H new ATOM 0 HA GLU A 80 16.134 1.835 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.313 0.508 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.578 0.612 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.944 3.119 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.587 2.843 0.046 1.00 0.00 H new ATOM 1268 N LEU A 81 14.965 -1.215 1.766 1.00 0.00 N ATOM 1269 CA LEU A 81 13.809 -2.068 1.984 1.00 0.00 C ATOM 1270 C LEU A 81 13.325 -1.904 3.426 1.00 0.00 C ATOM 1271 O LEU A 81 12.123 -1.901 3.685 1.00 0.00 O ATOM 1272 CB LEU A 81 14.131 -3.514 1.603 1.00 0.00 C ATOM 1273 CG LEU A 81 14.089 -3.840 0.109 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.744 -4.454 -0.282 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.421 -2.604 -0.730 1.00 0.00 C ATOM 0 H LEU A 81 15.784 -1.695 1.393 1.00 0.00 H new ATOM 0 HA LEU A 81 12.986 -1.768 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.125 -3.755 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.428 -4.169 2.117 1.00 0.00 H new ATOM 0 HG LEU A 81 14.855 -4.587 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.742 -4.676 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.587 -5.374 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.943 -3.750 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.384 -2.862 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.695 -1.818 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.421 -2.250 -0.477 1.00 0.00 H new ATOM 1287 N LYS A 82 14.287 -1.773 4.328 1.00 0.00 N ATOM 1288 CA LYS A 82 13.975 -1.609 5.738 1.00 0.00 C ATOM 1289 C LYS A 82 13.365 -0.224 5.963 1.00 0.00 C ATOM 1290 O LYS A 82 12.451 -0.068 6.772 1.00 0.00 O ATOM 1291 CB LYS A 82 15.211 -1.885 6.596 1.00 0.00 C ATOM 1292 CG LYS A 82 14.836 -2.646 7.869 1.00 0.00 C ATOM 1293 CD LYS A 82 15.487 -2.012 9.100 1.00 0.00 C ATOM 1294 CE LYS A 82 15.082 -2.752 10.376 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.347 -1.913 11.567 1.00 0.00 N ATOM 0 H LYS A 82 15.283 -1.777 4.110 1.00 0.00 H new ATOM 0 HA LYS A 82 13.230 -2.340 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.935 -2.464 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.693 -0.943 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.753 -2.651 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.151 -3.686 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.572 -2.031 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.192 -0.965 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.024 -3.010 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.636 -3.688 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.067 -2.430 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.361 -1.688 11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.799 -1.031 11.499 1.00 0.00 H new ATOM 1308 N LYS A 83 13.895 0.746 5.234 1.00 0.00 N ATOM 1309 CA LYS A 83 13.415 2.113 5.344 1.00 0.00 C ATOM 1310 C LYS A 83 11.938 2.164 4.948 1.00 0.00 C ATOM 1311 O LYS A 83 11.108 2.673 5.699 1.00 0.00 O ATOM 1312 CB LYS A 83 14.302 3.060 4.532 1.00 0.00 C ATOM 1313 CG LYS A 83 14.725 4.268 5.370 1.00 0.00 C ATOM 1314 CD LYS A 83 13.627 5.334 5.388 1.00 0.00 C ATOM 1315 CE LYS A 83 13.135 5.591 6.813 1.00 0.00 C ATOM 1316 NZ LYS A 83 12.770 7.015 6.986 1.00 0.00 N ATOM 0 H LYS A 83 14.653 0.613 4.564 1.00 0.00 H new ATOM 0 HA LYS A 83 13.481 2.458 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.187 2.527 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.764 3.398 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.944 3.949 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.643 4.693 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.008 6.261 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.793 5.013 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.272 4.960 7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.912 5.319 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.438 7.173 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.602 7.611 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.013 7.263 6.317 1.00 0.00 H new ATOM 1329 N VAL A 84 11.656 1.628 3.770 1.00 0.00 N ATOM 1330 CA VAL A 84 10.293 1.606 3.265 1.00 0.00 C ATOM 1331 C VAL A 84 9.432 0.725 4.172 1.00 0.00 C ATOM 1332 O VAL A 84 8.267 1.033 4.419 1.00 0.00 O ATOM 1333 CB VAL A 84 10.283 1.150 1.805 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.206 2.023 0.951 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.664 -0.327 1.689 1.00 0.00 C ATOM 0 H VAL A 84 12.347 1.206 3.150 1.00 0.00 H new ATOM 0 HA VAL A 84 9.864 2.608 3.282 1.00 0.00 H new ATOM 0 HB VAL A 84 9.268 1.265 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.180 1.677 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.871 3.059 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.225 1.955 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.649 -0.625 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.664 -0.478 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.950 -0.932 2.249 1.00 0.00 H new ATOM 1345 N ILE A 85 10.039 -0.355 4.644 1.00 0.00 N ATOM 1346 CA ILE A 85 9.342 -1.282 5.518 1.00 0.00 C ATOM 1347 C ILE A 85 8.856 -0.537 6.763 1.00 0.00 C ATOM 1348 O ILE A 85 7.773 -0.816 7.275 1.00 0.00 O ATOM 1349 CB ILE A 85 10.228 -2.490 5.832 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.219 -3.492 4.676 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.820 -3.140 7.156 1.00 0.00 C ATOM 1352 CD1 ILE A 85 9.170 -4.582 4.903 1.00 0.00 C ATOM 0 H ILE A 85 11.005 -0.608 4.437 1.00 0.00 H new ATOM 0 HA ILE A 85 8.458 -1.683 5.021 1.00 0.00 H new ATOM 0 HB ILE A 85 11.254 -2.140 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.012 -2.972 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.205 -3.946 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.465 -3.996 7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.920 -2.415 7.963 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.784 -3.473 7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.185 -5.281 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.394 -5.116 5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.183 -4.127 4.978 1.00 0.00 H new ATOM 1364 N ALA A 86 9.680 0.398 7.213 1.00 0.00 N ATOM 1365 CA ALA A 86 9.347 1.186 8.388 1.00 0.00 C ATOM 1366 C ALA A 86 8.293 2.230 8.014 1.00 0.00 C ATOM 1367 O ALA A 86 7.439 2.573 8.830 1.00 0.00 O ATOM 1368 CB ALA A 86 10.620 1.819 8.955 1.00 0.00 C ATOM 0 H ALA A 86 10.577 0.628 6.785 1.00 0.00 H new ATOM 0 HA ALA A 86 8.922 0.553 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.371 2.410 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.324 1.034 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.072 2.464 8.202 1.00 0.00 H new ATOM 1374 N ASP A 87 8.387 2.705 6.781 1.00 0.00 N ATOM 1375 CA ASP A 87 7.452 3.702 6.290 1.00 0.00 C ATOM 1376 C ASP A 87 6.083 3.052 6.082 1.00 0.00 C ATOM 1377 O ASP A 87 5.052 3.703 6.245 1.00 0.00 O ATOM 1378 CB ASP A 87 7.912 4.275 4.948 1.00 0.00 C ATOM 1379 CG ASP A 87 8.107 5.792 4.925 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.151 6.556 4.724 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.318 6.189 5.127 1.00 0.00 O ATOM 0 H ASP A 87 9.097 2.418 6.107 1.00 0.00 H new ATOM 0 HA ASP A 87 7.398 4.505 7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.852 3.799 4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.181 4.006 4.186 1.00 0.00 H new ATOM 1387 N ILE A 88 6.116 1.777 5.724 1.00 0.00 N ATOM 1388 CA ILE A 88 4.891 1.032 5.492 1.00 0.00 C ATOM 1389 C ILE A 88 4.351 0.518 6.828 1.00 0.00 C ATOM 1390 O ILE A 88 3.216 0.815 7.199 1.00 0.00 O ATOM 1391 CB ILE A 88 5.122 -0.070 4.457 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.899 -0.239 3.553 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.519 -1.384 5.134 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.319 -0.521 2.109 1.00 0.00 C ATOM 0 H ILE A 88 6.973 1.241 5.589 1.00 0.00 H new ATOM 0 HA ILE A 88 4.125 1.681 5.067 1.00 0.00 H new ATOM 0 HB ILE A 88 5.955 0.229 3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.280 -1.057 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.289 0.663 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.677 -2.151 4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.439 -1.238 5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.724 -1.700 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.431 -0.637 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.917 0.310 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.908 -1.437 2.074 1.00 0.00 H new ATOM 1406 N TYR A 89 5.189 -0.244 7.515 1.00 0.00 N ATOM 1407 CA TYR A 89 4.811 -0.802 8.802 1.00 0.00 C ATOM 1408 C TYR A 89 5.746 -1.946 9.200 1.00 0.00 C ATOM 1409 O TYR A 89 6.218 -2.693 8.344 1.00 0.00 O ATOM 1410 CB TYR A 89 3.396 -1.356 8.621 1.00 0.00 C ATOM 1411 CG TYR A 89 3.241 -2.287 7.417 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.825 -3.537 7.431 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.517 -1.876 6.316 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.679 -4.413 6.298 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.370 -2.752 5.183 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.959 -3.977 5.229 1.00 0.00 C ATOM 1417 OH TYR A 89 2.821 -4.805 4.159 1.00 0.00 O ATOM 0 H TYR A 89 6.129 -0.488 7.204 1.00 0.00 H new ATOM 0 HA TYR A 89 4.867 -0.042 9.581 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.110 -1.896 9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.702 -0.523 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.392 -3.858 8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.061 -0.897 6.304 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.131 -5.394 6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.805 -2.443 4.316 1.00 0.00 H new ATOM 0 HH TYR A 89 3.444 -4.534 3.453 1.00 0.00 H new ATOM 1427 N PRO A 90 5.992 -2.049 10.533 1.00 0.00 N ATOM 1428 CA PRO A 90 6.862 -3.089 11.056 1.00 0.00 C ATOM 1429 C PRO A 90 6.160 -4.448 11.044 1.00 0.00 C ATOM 1430 O PRO A 90 4.963 -4.535 11.313 1.00 0.00 O ATOM 1431 CB PRO A 90 7.235 -2.625 12.454 1.00 0.00 C ATOM 1432 CG PRO A 90 6.197 -1.582 12.837 1.00 0.00 C ATOM 1433 CD PRO A 90 5.450 -1.182 11.576 1.00 0.00 C ATOM 0 HA PRO A 90 7.755 -3.235 10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.229 -3.458 13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.239 -2.201 12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.507 -1.985 13.578 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.677 -0.713 13.288 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.375 -1.324 11.690 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.609 -0.130 11.339 1.00 0.00 H new ATOM 1441 N GLY A 91 6.935 -5.476 10.731 1.00 0.00 N ATOM 1442 CA GLY A 91 6.403 -6.827 10.681 1.00 0.00 C ATOM 1443 C GLY A 91 6.522 -7.412 9.272 1.00 0.00 C ATOM 1444 O GLY A 91 5.929 -6.892 8.328 1.00 0.00 O ATOM 0 H GLY A 91 7.928 -5.400 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.940 -7.459 11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.357 -6.821 10.989 1.00 0.00 H new ATOM 1448 N GLN A 92 7.292 -8.486 9.175 1.00 0.00 N ATOM 1449 CA GLN A 92 7.497 -9.147 7.897 1.00 0.00 C ATOM 1450 C GLN A 92 6.911 -10.560 7.931 1.00 0.00 C ATOM 1451 O GLN A 92 7.651 -11.543 7.906 1.00 0.00 O ATOM 1452 CB GLN A 92 8.981 -9.177 7.527 1.00 0.00 C ATOM 1453 CG GLN A 92 9.199 -8.678 6.097 1.00 0.00 C ATOM 1454 CD GLN A 92 10.302 -9.477 5.400 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.197 -10.674 5.188 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.362 -8.751 5.057 1.00 0.00 N ATOM 0 H GLN A 92 7.781 -8.915 9.960 1.00 0.00 H new ATOM 0 HA GLN A 92 6.977 -8.577 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.546 -8.556 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.363 -10.193 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.271 -8.764 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.465 -7.621 6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.385 -7.753 5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.152 -9.193 4.587 1.00 0.00 H new ATOM 1465 N THR A 93 5.589 -10.617 7.988 1.00 0.00 N ATOM 1466 CA THR A 93 4.896 -11.893 8.025 1.00 0.00 C ATOM 1467 C THR A 93 3.610 -11.826 7.199 1.00 0.00 C ATOM 1468 O THR A 93 3.023 -10.757 7.043 1.00 0.00 O ATOM 1469 CB THR A 93 4.657 -12.259 9.492 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.594 -11.400 9.895 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.826 -11.855 10.393 1.00 0.00 C ATOM 0 H THR A 93 4.979 -9.800 8.009 1.00 0.00 H new ATOM 0 HA THR A 93 5.496 -12.682 7.571 1.00 0.00 H new ATOM 0 HB THR A 93 4.488 -13.333 9.576 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.373 -11.571 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.606 -12.137 11.423 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.732 -12.363 10.063 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.974 -10.777 10.336 1.00 0.00 H new ATOM 1479 N GLN A 94 3.210 -12.983 6.691 1.00 0.00 N ATOM 1480 CA GLN A 94 2.004 -13.069 5.885 1.00 0.00 C ATOM 1481 C GLN A 94 0.891 -12.219 6.501 1.00 0.00 C ATOM 1482 O GLN A 94 0.771 -12.138 7.723 1.00 0.00 O ATOM 1483 CB GLN A 94 1.557 -14.523 5.722 1.00 0.00 C ATOM 1484 CG GLN A 94 2.319 -15.207 4.585 1.00 0.00 C ATOM 1485 CD GLN A 94 2.900 -16.546 5.043 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.695 -16.992 6.160 1.00 0.00 O ATOM 1487 NE2 GLN A 94 3.636 -17.160 4.120 1.00 0.00 N ATOM 0 H GLN A 94 3.700 -13.868 6.822 1.00 0.00 H new ATOM 0 HA GLN A 94 2.225 -12.677 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.723 -15.065 6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.487 -14.558 5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.651 -15.367 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.123 -14.557 4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.767 -16.731 3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.069 -18.060 4.328 1.00 0.00 H new ATOM 1496 N PHE A 95 0.106 -11.607 5.628 1.00 0.00 N ATOM 1497 CA PHE A 95 -0.993 -10.766 6.071 1.00 0.00 C ATOM 1498 C PHE A 95 -2.000 -10.539 4.941 1.00 0.00 C ATOM 1499 O PHE A 95 -1.843 -11.078 3.847 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.390 -9.420 6.478 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.308 -9.207 7.991 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.430 -9.305 8.753 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.887 -8.920 8.574 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.355 -9.107 10.157 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.963 -8.723 9.978 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.160 -8.820 10.740 1.00 0.00 C ATOM 0 H PHE A 95 0.209 -11.676 4.616 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.517 -11.244 6.898 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.611 -9.339 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.986 -8.619 6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.379 -9.534 8.290 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.778 -8.842 7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.246 -9.184 10.762 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.912 -8.496 10.441 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.103 -8.669 11.808 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.012 -9.740 5.245 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.045 -9.435 4.269 1.00 0.00 C ATOM 1518 C TYR A 96 -3.523 -8.472 3.202 1.00 0.00 C ATOM 1519 O TYR A 96 -2.750 -7.563 3.504 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.172 -8.753 5.047 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.474 -9.556 5.087 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.472 -10.852 5.561 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.651 -8.984 4.648 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.698 -11.607 5.598 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.877 -9.739 4.686 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.839 -11.013 5.159 1.00 0.00 C ATOM 1527 OH TYR A 96 -9.997 -11.726 5.194 1.00 0.00 O ATOM 0 H TYR A 96 -3.139 -9.294 6.154 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.376 -10.342 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.837 -8.572 6.068 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.371 -7.779 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.551 -11.300 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.653 -7.970 4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.710 -12.622 5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.805 -9.303 4.347 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.731 -11.175 4.851 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.965 -8.703 1.974 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.552 -7.866 0.860 1.00 0.00 C ATOM 1539 C VAL A 97 -4.788 -7.435 0.067 1.00 0.00 C ATOM 1540 O VAL A 97 -5.603 -8.269 -0.322 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.521 -8.606 0.005 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.226 -7.837 -1.284 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.237 -8.864 0.796 1.00 0.00 C ATOM 0 H VAL A 97 -4.605 -9.458 1.726 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.065 -6.960 1.221 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.944 -9.572 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.490 -8.384 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.144 -7.727 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.833 -6.851 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.521 -9.391 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.809 -7.914 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.465 -9.471 1.672 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.887 -6.131 -0.149 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.009 -5.578 -0.889 1.00 0.00 C ATOM 1555 C ILE A 98 -5.485 -4.824 -2.112 1.00 0.00 C ATOM 1556 O ILE A 98 -4.608 -3.970 -1.991 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.888 -4.727 0.029 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.869 -5.265 1.461 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.311 -4.617 -0.522 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.143 -6.770 1.486 1.00 0.00 C ATOM 0 H ILE A 98 -4.209 -5.442 0.175 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.653 -6.376 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.474 -3.719 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.900 -5.061 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.618 -4.746 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.915 -4.007 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.284 -4.154 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.749 -5.612 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.124 -7.126 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.123 -6.969 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.378 -7.289 0.908 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.046 -5.165 -3.263 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.646 -4.531 -4.507 1.00 0.00 C ATOM 1574 C GLU A 99 -6.587 -3.370 -4.837 1.00 0.00 C ATOM 1575 O GLU A 99 -7.799 -3.477 -4.656 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.606 -5.545 -5.652 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.511 -5.190 -6.661 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.395 -6.264 -7.744 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -3.670 -7.254 -7.561 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -5.092 -6.044 -8.807 1.00 0.00 O ATOM 0 H GLU A 99 -6.774 -5.872 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.639 -4.134 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.427 -6.543 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.573 -5.571 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.734 -4.227 -7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.557 -5.084 -6.145 1.00 0.00 H new ATOM 1588 N PHE A 100 -5.993 -2.286 -5.315 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.763 -1.106 -5.671 1.00 0.00 C ATOM 1590 C PHE A 100 -6.261 -0.500 -6.983 1.00 0.00 C ATOM 1591 O PHE A 100 -5.091 -0.649 -7.333 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.568 -0.088 -4.546 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.192 0.582 -4.544 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.117 -0.075 -4.032 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.045 1.834 -5.054 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -2.840 0.547 -4.030 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.769 2.456 -5.052 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.693 1.799 -4.540 1.00 0.00 C ATOM 0 H PHE A 100 -4.988 -2.200 -5.464 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.812 -1.372 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.335 0.682 -4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.719 -0.587 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.234 -1.069 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.899 2.355 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.986 0.026 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.652 3.450 -5.457 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.722 2.272 -4.539 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.171 0.171 -7.674 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.836 0.800 -8.940 1.00 0.00 C ATOM 1610 C LYS A 101 -7.860 1.895 -9.248 1.00 0.00 C ATOM 1611 O LYS A 101 -8.988 1.849 -8.760 1.00 0.00 O ATOM 1612 CB LYS A 101 -6.709 -0.251 -10.044 1.00 0.00 C ATOM 1613 CG LYS A 101 -8.039 -0.441 -10.776 1.00 0.00 C ATOM 1614 CD LYS A 101 -7.952 -1.589 -11.784 1.00 0.00 C ATOM 1615 CE LYS A 101 -9.318 -1.873 -12.411 1.00 0.00 C ATOM 1616 NZ LYS A 101 -9.365 -1.369 -13.802 1.00 0.00 N ATOM 0 H LYS A 101 -8.140 0.293 -7.381 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.861 1.283 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.940 0.053 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.388 -1.199 -9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.829 -0.646 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.309 0.481 -11.292 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.234 -1.338 -12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.582 -2.486 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.514 -2.945 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.102 -1.399 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.299 -1.570 -14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.199 -0.342 -13.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.630 -1.840 -14.367 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.430 2.853 -10.056 1.00 0.00 N ATOM 1630 CA CYS A 102 -8.296 3.957 -10.434 1.00 0.00 C ATOM 1631 C CYS A 102 -9.029 3.573 -11.721 1.00 0.00 C ATOM 1632 O CYS A 102 -8.403 3.170 -12.700 1.00 0.00 O ATOM 1633 CB CYS A 102 -7.512 5.262 -10.591 1.00 0.00 C ATOM 1634 SG CYS A 102 -8.563 6.530 -11.389 1.00 0.00 S ATOM 0 H CYS A 102 -6.494 2.888 -10.459 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.024 4.140 -9.643 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.179 5.615 -9.615 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -6.618 5.089 -11.190 1.00 0.00 H new ATOM 0 HG CYS A 102 -7.889 7.635 -11.516 1.00 0.00 H new ATOM 1640 N LEU A 103 -10.346 3.711 -11.677 1.00 0.00 N ATOM 1641 CA LEU A 103 -11.171 3.384 -12.827 1.00 0.00 C ATOM 1642 C LEU A 103 -11.295 4.615 -13.728 1.00 0.00 C ATOM 1643 O LEU A 103 -11.954 4.566 -14.765 1.00 0.00 O ATOM 1644 CB LEU A 103 -12.518 2.815 -12.376 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.457 1.690 -11.341 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -13.790 1.552 -10.603 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.020 0.373 -11.986 1.00 0.00 C ATOM 0 H LEU A 103 -10.862 4.045 -10.863 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.702 2.600 -13.421 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.114 3.629 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.047 2.445 -13.255 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.703 1.950 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.720 0.746 -9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.021 2.486 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.580 1.326 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.985 -0.409 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.732 0.094 -12.763 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.031 0.495 -12.428 1.00 0.00 H new TER 1659 LEU A 103