USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 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 108 SER OG : rot 180:sc= 0.947 USER MOD Set 1.2: A 124 THR OG1 : rot -102:sc= 1.25 USER MOD Set 2.1: A 95 CYS SG : rot -169:sc= -1.4 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.97 X(o=-3.4,f=-3.9) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -149:sc= 1.09 (180deg=-0.921!) USER MOD Set 3.2: A 51 TYR OH : rot 0:sc= -2.12 USER MOD Set 4.1: A 14 ASN : amide:sc= -3.97 K(o=-4.1,f=-5) USER MOD Set 4.2: A 131 THR OG1 : rot 84:sc= -0.128 USER MOD Single : A 4 SER OG : rot -1:sc= 0.835! USER MOD Single : A 6 ASN : amide:sc= -2.05 K(o=-2.1,f=-3.2!) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.535) USER MOD Single : A 12 SER OG : rot -170:sc= -3.33! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.11 F(o=-4.5!,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.483 USER MOD Single : A 82 LYS NZ :NH3+ -145:sc= -0.0036 (180deg=-1.05) USER MOD Single : A 83 SER OG : rot 138:sc= 0.766 USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -1.14 (180deg=-1.84!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.145 USER MOD Single : A 91 ASN : amide:sc= -1.54 K(o=-1.5,f=-8.5!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 178:sc= -4.54! (180deg=-4.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 110 THR OG1 : rot 49:sc= 0.924 USER MOD Single : A 122 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 123 MET CE :methyl -142:sc= -0.561 (180deg=-2.67!) USER MOD Single : A 130 CYS SG : rot 170:sc= 0.00677 USER MOD Single : A 134 TYR OH : rot 180:sc= -2.51 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 13.360 -2.891 5.561 1.00 0.00 N ATOM 32 CA PHE A 3 12.457 -3.008 4.382 1.00 0.00 C ATOM 33 C PHE A 3 13.266 -3.221 3.098 1.00 0.00 C ATOM 34 O PHE A 3 12.723 -3.609 2.080 1.00 0.00 O ATOM 35 CB PHE A 3 11.665 -1.718 4.224 1.00 0.00 C ATOM 36 CG PHE A 3 10.845 -1.404 5.457 1.00 0.00 C ATOM 37 CD1 PHE A 3 11.458 -1.057 6.672 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.456 -1.375 5.353 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.687 -0.678 7.763 1.00 0.00 C ATOM 40 CE2 PHE A 3 8.679 -1.015 6.455 1.00 0.00 C ATOM 41 CZ PHE A 3 9.302 -0.654 7.664 1.00 0.00 C ATOM 0 HA PHE A 3 11.794 -3.858 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.350 -0.894 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 3 11.005 -1.801 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.534 -1.085 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.980 -1.631 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.166 -0.401 8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.602 -1.013 6.380 1.00 0.00 H new ATOM 0 HZ PHE A 3 8.704 -0.359 8.514 1.00 0.00 H new ATOM 51 N SER A 4 14.547 -2.949 3.124 1.00 0.00 N ATOM 52 CA SER A 4 15.374 -3.110 1.889 1.00 0.00 C ATOM 53 C SER A 4 15.337 -4.568 1.418 1.00 0.00 C ATOM 54 O SER A 4 15.816 -5.457 2.097 1.00 0.00 O ATOM 55 CB SER A 4 16.821 -2.706 2.182 1.00 0.00 C ATOM 56 OG SER A 4 17.467 -3.746 2.907 1.00 0.00 O ATOM 0 H SER A 4 15.055 -2.623 3.946 1.00 0.00 H new ATOM 0 HA SER A 4 14.968 -2.470 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.352 -2.514 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.842 -1.780 2.757 1.00 0.00 H new ATOM 0 HG SER A 4 16.832 -4.474 3.071 1.00 0.00 H new ATOM 62 N GLY A 5 14.776 -4.815 0.260 1.00 0.00 N ATOM 63 CA GLY A 5 14.711 -6.212 -0.259 1.00 0.00 C ATOM 64 C GLY A 5 13.475 -6.381 -1.129 1.00 0.00 C ATOM 65 O GLY A 5 12.490 -5.686 -0.974 1.00 0.00 O ATOM 0 H GLY A 5 14.361 -4.108 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.607 -6.437 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.682 -6.917 0.572 1.00 0.00 H new ATOM 69 N ASN A 6 13.517 -7.329 -2.017 1.00 0.00 N ATOM 70 CA ASN A 6 12.345 -7.600 -2.886 1.00 0.00 C ATOM 71 C ASN A 6 11.354 -8.374 -2.043 1.00 0.00 C ATOM 72 O ASN A 6 11.744 -9.008 -1.078 1.00 0.00 O ATOM 73 CB ASN A 6 12.767 -8.430 -4.101 1.00 0.00 C ATOM 74 CG ASN A 6 11.575 -8.596 -5.046 1.00 0.00 C ATOM 75 OD1 ASN A 6 10.647 -9.322 -4.749 1.00 0.00 O ATOM 76 ND2 ASN A 6 11.560 -7.948 -6.179 1.00 0.00 N ATOM 0 H ASN A 6 14.322 -7.934 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 6 11.908 -6.673 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 6 13.591 -7.941 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 6 13.128 -9.407 -3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 6 10.769 -8.051 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.339 -7.339 -6.428 1.00 0.00 H new ATOM 83 N TRP A 7 10.082 -8.304 -2.343 1.00 0.00 N ATOM 84 CA TRP A 7 9.107 -9.024 -1.472 1.00 0.00 C ATOM 85 C TRP A 7 8.152 -9.899 -2.260 1.00 0.00 C ATOM 86 O TRP A 7 7.532 -9.477 -3.218 1.00 0.00 O ATOM 87 CB TRP A 7 8.319 -7.999 -0.684 1.00 0.00 C ATOM 88 CG TRP A 7 9.265 -7.173 0.106 1.00 0.00 C ATOM 89 CD1 TRP A 7 9.738 -5.962 -0.250 1.00 0.00 C ATOM 90 CD2 TRP A 7 9.891 -7.506 1.363 1.00 0.00 C ATOM 91 NE1 TRP A 7 10.571 -5.501 0.750 1.00 0.00 N ATOM 92 CE2 TRP A 7 10.703 -6.427 1.767 1.00 0.00 C ATOM 93 CE3 TRP A 7 9.813 -8.630 2.190 1.00 0.00 C ATOM 94 CZ2 TRP A 7 11.417 -6.462 2.963 1.00 0.00 C ATOM 95 CZ3 TRP A 7 10.533 -8.683 3.379 1.00 0.00 C ATOM 96 CH2 TRP A 7 11.336 -7.600 3.774 1.00 0.00 C ATOM 0 H TRP A 7 9.685 -7.794 -3.132 1.00 0.00 H new ATOM 0 HA TRP A 7 9.670 -9.684 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.740 -7.368 -1.358 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.609 -8.496 -0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 7 9.504 -5.439 -1.166 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.031 -4.591 0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.189 -9.464 1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 12.026 -5.621 3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 10.474 -9.563 4.003 1.00 0.00 H new ATOM 0 HH2 TRP A 7 11.889 -7.645 4.701 1.00 0.00 H new ATOM 107 N LYS A 8 8.021 -11.125 -1.831 1.00 0.00 N ATOM 108 CA LYS A 8 7.096 -12.068 -2.505 1.00 0.00 C ATOM 109 C LYS A 8 5.742 -11.979 -1.798 1.00 0.00 C ATOM 110 O LYS A 8 5.666 -11.563 -0.655 1.00 0.00 O ATOM 111 CB LYS A 8 7.617 -13.518 -2.411 1.00 0.00 C ATOM 112 CG LYS A 8 9.154 -13.562 -2.305 1.00 0.00 C ATOM 113 CD LYS A 8 9.557 -13.855 -0.856 1.00 0.00 C ATOM 114 CE LYS A 8 9.371 -15.348 -0.561 1.00 0.00 C ATOM 115 NZ LYS A 8 10.555 -15.863 0.186 1.00 0.00 N ATOM 0 H LYS A 8 8.523 -11.514 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 8 7.014 -11.803 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.177 -14.008 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.296 -14.078 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.553 -14.330 -2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.579 -12.611 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.596 -13.568 -0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.951 -13.261 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.464 -15.503 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.248 -15.900 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.271 -16.677 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.290 -16.158 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.931 -15.113 0.801 1.00 0.00 H new ATOM 129 N ILE A 9 4.679 -12.365 -2.460 1.00 0.00 N ATOM 130 CA ILE A 9 3.334 -12.299 -1.817 1.00 0.00 C ATOM 131 C ILE A 9 3.180 -13.476 -0.843 1.00 0.00 C ATOM 132 O ILE A 9 3.596 -14.585 -1.113 1.00 0.00 O ATOM 133 CB ILE A 9 2.243 -12.293 -2.919 1.00 0.00 C ATOM 134 CG1 ILE A 9 1.025 -11.484 -2.442 1.00 0.00 C ATOM 135 CG2 ILE A 9 1.803 -13.716 -3.305 1.00 0.00 C ATOM 136 CD1 ILE A 9 0.367 -12.153 -1.230 1.00 0.00 C ATOM 0 H ILE A 9 4.686 -12.722 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 9 3.223 -11.381 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 9 2.674 -11.829 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.335 -10.472 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.301 -11.397 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.038 -13.663 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.661 -14.273 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.397 -14.222 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.492 -11.563 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.037 -13.156 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.087 -12.217 -0.414 1.00 0.00 H new ATOM 148 N ILE A 10 2.578 -13.221 0.280 1.00 0.00 N ATOM 149 CA ILE A 10 2.371 -14.268 1.304 1.00 0.00 C ATOM 150 C ILE A 10 1.130 -13.871 2.114 1.00 0.00 C ATOM 151 O ILE A 10 1.072 -12.810 2.699 1.00 0.00 O ATOM 152 CB ILE A 10 3.631 -14.349 2.193 1.00 0.00 C ATOM 153 CG1 ILE A 10 4.750 -15.064 1.419 1.00 0.00 C ATOM 154 CG2 ILE A 10 3.354 -15.124 3.490 1.00 0.00 C ATOM 155 CD1 ILE A 10 5.662 -14.036 0.737 1.00 0.00 C ATOM 0 H ILE A 10 2.212 -12.304 0.535 1.00 0.00 H new ATOM 0 HA ILE A 10 2.213 -15.251 0.861 1.00 0.00 H new ATOM 0 HB ILE A 10 3.928 -13.333 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.334 -15.684 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.318 -15.730 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.262 -15.162 4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.566 -14.623 4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.037 -16.138 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.451 -14.554 0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.076 -13.434 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.108 -13.388 1.492 1.00 0.00 H new ATOM 167 N ARG A 11 0.136 -14.710 2.116 1.00 0.00 N ATOM 168 CA ARG A 11 -1.128 -14.410 2.856 1.00 0.00 C ATOM 169 C ARG A 11 -1.774 -13.153 2.271 1.00 0.00 C ATOM 170 O ARG A 11 -1.298 -12.050 2.464 1.00 0.00 O ATOM 171 CB ARG A 11 -0.827 -14.200 4.346 1.00 0.00 C ATOM 172 CG ARG A 11 -0.887 -15.545 5.073 1.00 0.00 C ATOM 173 CD ARG A 11 0.239 -16.451 4.567 1.00 0.00 C ATOM 174 NE ARG A 11 0.503 -17.523 5.569 1.00 0.00 N ATOM 175 CZ ARG A 11 0.251 -18.769 5.273 1.00 0.00 C ATOM 176 NH1 ARG A 11 0.938 -19.371 4.341 1.00 0.00 N ATOM 177 NH2 ARG A 11 -0.687 -19.415 5.911 1.00 0.00 N ATOM 0 H ARG A 11 0.142 -15.607 1.630 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.814 -15.250 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.159 -13.752 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.549 -13.508 4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.791 -15.394 6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.854 -16.019 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.038 -16.893 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.143 -15.866 4.398 1.00 0.00 H new ATOM 0 HE ARG A 11 0.880 -17.283 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.673 -18.868 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.740 -20.345 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.223 -18.946 6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.884 -20.389 5.679 1.00 0.00 H new ATOM 191 N SER A 12 -2.854 -13.318 1.548 1.00 0.00 N ATOM 192 CA SER A 12 -3.541 -12.144 0.931 1.00 0.00 C ATOM 193 C SER A 12 -5.059 -12.340 1.010 1.00 0.00 C ATOM 194 O SER A 12 -5.570 -13.415 0.761 1.00 0.00 O ATOM 195 CB SER A 12 -3.109 -12.028 -0.538 1.00 0.00 C ATOM 196 OG SER A 12 -2.402 -10.811 -0.727 1.00 0.00 O ATOM 0 H SER A 12 -3.290 -14.220 1.358 1.00 0.00 H new ATOM 0 HA SER A 12 -3.270 -11.233 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.478 -12.874 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.983 -12.059 -1.189 1.00 0.00 H new ATOM 0 HG SER A 12 -2.263 -10.659 -1.685 1.00 0.00 H new ATOM 202 N GLU A 13 -5.778 -11.302 1.352 1.00 0.00 N ATOM 203 CA GLU A 13 -7.265 -11.402 1.449 1.00 0.00 C ATOM 204 C GLU A 13 -7.826 -10.035 1.840 1.00 0.00 C ATOM 205 O GLU A 13 -7.886 -9.697 3.006 1.00 0.00 O ATOM 206 CB GLU A 13 -7.645 -12.432 2.518 1.00 0.00 C ATOM 207 CG GLU A 13 -9.003 -13.048 2.175 1.00 0.00 C ATOM 208 CD GLU A 13 -9.192 -14.343 2.968 1.00 0.00 C ATOM 209 OE1 GLU A 13 -8.268 -15.139 2.994 1.00 0.00 O ATOM 210 OE2 GLU A 13 -10.258 -14.516 3.536 1.00 0.00 O ATOM 0 H GLU A 13 -5.395 -10.382 1.570 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.676 -11.714 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.884 -13.211 2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.687 -11.956 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.803 -12.345 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.062 -13.252 1.106 1.00 0.00 H new ATOM 217 N ASN A 14 -8.229 -9.244 0.874 1.00 0.00 N ATOM 218 CA ASN A 14 -8.776 -7.889 1.197 1.00 0.00 C ATOM 219 C ASN A 14 -9.395 -7.229 -0.045 1.00 0.00 C ATOM 220 O ASN A 14 -10.338 -6.482 0.077 1.00 0.00 O ATOM 221 CB ASN A 14 -7.646 -7.003 1.730 1.00 0.00 C ATOM 222 CG ASN A 14 -7.679 -6.991 3.261 1.00 0.00 C ATOM 223 OD1 ASN A 14 -6.791 -7.515 3.904 1.00 0.00 O ATOM 224 ND2 ASN A 14 -8.675 -6.413 3.875 1.00 0.00 N ATOM 0 H ASN A 14 -8.203 -9.477 -0.119 1.00 0.00 H new ATOM 0 HA ASN A 14 -9.556 -8.003 1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.683 -7.375 1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.754 -5.989 1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.708 -6.401 4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.421 -5.973 3.335 1.00 0.00 H new ATOM 231 N PHE A 15 -8.860 -7.482 -1.227 1.00 0.00 N ATOM 232 CA PHE A 15 -9.395 -6.856 -2.498 1.00 0.00 C ATOM 233 C PHE A 15 -10.940 -6.836 -2.517 1.00 0.00 C ATOM 234 O PHE A 15 -11.541 -5.802 -2.728 1.00 0.00 O ATOM 235 CB PHE A 15 -8.862 -7.655 -3.705 1.00 0.00 C ATOM 236 CG PHE A 15 -9.040 -6.918 -5.040 1.00 0.00 C ATOM 237 CD1 PHE A 15 -9.797 -5.733 -5.151 1.00 0.00 C ATOM 238 CD2 PHE A 15 -8.447 -7.458 -6.193 1.00 0.00 C ATOM 239 CE1 PHE A 15 -9.957 -5.111 -6.392 1.00 0.00 C ATOM 240 CE2 PHE A 15 -8.613 -6.828 -7.435 1.00 0.00 C ATOM 241 CZ PHE A 15 -9.372 -5.657 -7.532 1.00 0.00 C ATOM 0 H PHE A 15 -8.064 -8.104 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.056 -5.821 -2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.804 -7.869 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.377 -8.614 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.255 -5.304 -4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.861 -8.362 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.537 -4.203 -6.468 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.154 -7.248 -8.318 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.504 -5.177 -8.490 1.00 0.00 H new ATOM 251 N GLU A 16 -11.587 -7.939 -2.286 1.00 0.00 N ATOM 252 CA GLU A 16 -13.083 -7.921 -2.292 1.00 0.00 C ATOM 253 C GLU A 16 -13.570 -7.117 -1.094 1.00 0.00 C ATOM 254 O GLU A 16 -14.527 -6.371 -1.187 1.00 0.00 O ATOM 255 CB GLU A 16 -13.632 -9.348 -2.233 1.00 0.00 C ATOM 256 CG GLU A 16 -13.455 -10.020 -3.595 1.00 0.00 C ATOM 257 CD GLU A 16 -12.078 -10.683 -3.662 1.00 0.00 C ATOM 258 OE1 GLU A 16 -11.758 -11.432 -2.753 1.00 0.00 O ATOM 259 OE2 GLU A 16 -11.366 -10.431 -4.621 1.00 0.00 O ATOM 0 H GLU A 16 -11.158 -8.844 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.440 -7.459 -3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.111 -9.918 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.687 -9.332 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.236 -10.764 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.555 -9.283 -4.392 1.00 0.00 H new ATOM 266 N GLU A 17 -12.896 -7.232 0.019 1.00 0.00 N ATOM 267 CA GLU A 17 -13.289 -6.440 1.221 1.00 0.00 C ATOM 268 C GLU A 17 -13.205 -4.940 0.885 1.00 0.00 C ATOM 269 O GLU A 17 -13.809 -4.117 1.542 1.00 0.00 O ATOM 270 CB GLU A 17 -12.329 -6.762 2.364 1.00 0.00 C ATOM 271 CG GLU A 17 -12.901 -6.245 3.683 1.00 0.00 C ATOM 272 CD GLU A 17 -12.347 -7.076 4.841 1.00 0.00 C ATOM 273 OE1 GLU A 17 -11.140 -7.087 5.012 1.00 0.00 O ATOM 274 OE2 GLU A 17 -13.140 -7.690 5.536 1.00 0.00 O ATOM 0 H GLU A 17 -12.088 -7.842 0.148 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.308 -6.690 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.169 -7.838 2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.358 -6.305 2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.640 -5.195 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.989 -6.304 3.667 1.00 0.00 H new ATOM 281 N LEU A 18 -12.463 -4.588 -0.143 1.00 0.00 N ATOM 282 CA LEU A 18 -12.332 -3.163 -0.544 1.00 0.00 C ATOM 283 C LEU A 18 -13.580 -2.740 -1.282 1.00 0.00 C ATOM 284 O LEU A 18 -14.138 -1.699 -1.019 1.00 0.00 O ATOM 285 CB LEU A 18 -11.141 -2.976 -1.489 1.00 0.00 C ATOM 286 CG LEU A 18 -9.940 -3.840 -1.104 1.00 0.00 C ATOM 287 CD1 LEU A 18 -8.739 -3.374 -1.912 1.00 0.00 C ATOM 288 CD2 LEU A 18 -9.607 -3.733 0.382 1.00 0.00 C ATOM 0 H LEU A 18 -11.939 -5.243 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.185 -2.564 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.448 -3.220 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.844 -1.927 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.186 -4.881 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.869 -3.978 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.952 -3.482 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.534 -2.327 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.747 -4.364 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.372 -2.698 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.463 -4.061 0.971 1.00 0.00 H new ATOM 300 N LEU A 19 -14.030 -3.545 -2.202 1.00 0.00 N ATOM 301 CA LEU A 19 -15.259 -3.181 -2.944 1.00 0.00 C ATOM 302 C LEU A 19 -16.502 -3.578 -2.114 1.00 0.00 C ATOM 303 O LEU A 19 -17.624 -3.455 -2.565 1.00 0.00 O ATOM 304 CB LEU A 19 -15.260 -3.881 -4.314 1.00 0.00 C ATOM 305 CG LEU A 19 -13.933 -3.629 -5.088 1.00 0.00 C ATOM 306 CD1 LEU A 19 -13.296 -2.270 -4.725 1.00 0.00 C ATOM 307 CD2 LEU A 19 -12.938 -4.755 -4.781 1.00 0.00 C ATOM 0 H LEU A 19 -13.602 -4.432 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.288 -2.104 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.403 -4.953 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.101 -3.521 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.171 -3.611 -6.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.373 -2.139 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.989 -1.466 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.075 -2.245 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.009 -4.578 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.734 -4.779 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.362 -5.710 -5.091 1.00 0.00 H new ATOM 319 N LYS A 20 -16.303 -4.042 -0.895 1.00 0.00 N ATOM 320 CA LYS A 20 -17.437 -4.432 -0.018 1.00 0.00 C ATOM 321 C LYS A 20 -17.575 -3.406 1.118 1.00 0.00 C ATOM 322 O LYS A 20 -18.642 -3.203 1.663 1.00 0.00 O ATOM 323 CB LYS A 20 -17.130 -5.805 0.581 1.00 0.00 C ATOM 324 CG LYS A 20 -17.697 -6.895 -0.324 1.00 0.00 C ATOM 325 CD LYS A 20 -17.824 -8.201 0.464 1.00 0.00 C ATOM 326 CE LYS A 20 -18.951 -8.070 1.490 1.00 0.00 C ATOM 327 NZ LYS A 20 -19.450 -9.426 1.856 1.00 0.00 N ATOM 0 H LYS A 20 -15.382 -4.165 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 20 -18.364 -4.466 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.053 -5.933 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -17.564 -5.884 1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.672 -6.593 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.047 -7.041 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.030 -9.029 -0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.884 -8.427 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.590 -7.552 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.763 -7.471 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.216 -9.337 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.810 -9.905 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.673 -9.983 2.265 1.00 0.00 H new ATOM 341 N VAL A 21 -16.490 -2.763 1.471 1.00 0.00 N ATOM 342 CA VAL A 21 -16.509 -1.751 2.558 1.00 0.00 C ATOM 343 C VAL A 21 -16.653 -0.362 1.940 1.00 0.00 C ATOM 344 O VAL A 21 -17.257 0.526 2.512 1.00 0.00 O ATOM 345 CB VAL A 21 -15.202 -1.846 3.349 1.00 0.00 C ATOM 346 CG1 VAL A 21 -15.061 -3.253 3.921 1.00 0.00 C ATOM 347 CG2 VAL A 21 -14.004 -1.551 2.440 1.00 0.00 C ATOM 0 H VAL A 21 -15.577 -2.904 1.040 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.347 -1.931 3.231 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.224 -1.113 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -14.131 -3.325 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -15.903 -3.464 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -15.048 -3.977 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.083 -1.623 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.979 -2.275 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.098 -0.546 2.030 1.00 0.00 H new ATOM 357 N LEU A 22 -16.131 -0.183 0.747 1.00 0.00 N ATOM 358 CA LEU A 22 -16.265 1.130 0.051 1.00 0.00 C ATOM 359 C LEU A 22 -17.763 1.436 -0.129 1.00 0.00 C ATOM 360 O LEU A 22 -18.152 2.569 -0.343 1.00 0.00 O ATOM 361 CB LEU A 22 -15.479 1.089 -1.298 1.00 0.00 C ATOM 362 CG LEU A 22 -16.301 0.606 -2.524 1.00 0.00 C ATOM 363 CD1 LEU A 22 -17.152 -0.627 -2.205 1.00 0.00 C ATOM 364 CD2 LEU A 22 -17.200 1.734 -3.023 1.00 0.00 C ATOM 0 H LEU A 22 -15.617 -0.895 0.228 1.00 0.00 H new ATOM 0 HA LEU A 22 -15.831 1.939 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.095 2.087 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.616 0.434 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.589 0.323 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.708 -0.926 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -16.504 -1.445 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.851 -0.389 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -17.774 1.389 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.883 2.034 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -16.586 2.586 -3.315 1.00 0.00 H new ATOM 643 N VAL A 41 6.490 -7.052 -5.526 1.00 0.00 N ATOM 644 CA VAL A 41 7.010 -5.673 -5.293 1.00 0.00 C ATOM 645 C VAL A 41 8.529 -5.729 -5.107 1.00 0.00 C ATOM 646 O VAL A 41 9.118 -6.793 -5.055 1.00 0.00 O ATOM 647 CB VAL A 41 6.316 -5.069 -4.043 1.00 0.00 C ATOM 648 CG1 VAL A 41 7.005 -5.507 -2.744 1.00 0.00 C ATOM 649 CG2 VAL A 41 6.328 -3.535 -4.130 1.00 0.00 C ATOM 0 HA VAL A 41 6.792 -5.037 -6.151 1.00 0.00 H new ATOM 0 HB VAL A 41 5.290 -5.436 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.490 -5.064 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.972 -6.593 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.043 -5.175 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.839 -3.117 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.358 -3.181 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.795 -3.217 -5.026 1.00 0.00 H new ATOM 659 N GLU A 42 9.150 -4.593 -4.975 1.00 0.00 N ATOM 660 CA GLU A 42 10.615 -4.566 -4.753 1.00 0.00 C ATOM 661 C GLU A 42 10.984 -3.269 -4.046 1.00 0.00 C ATOM 662 O GLU A 42 10.823 -2.191 -4.585 1.00 0.00 O ATOM 663 CB GLU A 42 11.354 -4.679 -6.087 1.00 0.00 C ATOM 664 CG GLU A 42 10.922 -3.542 -7.014 1.00 0.00 C ATOM 665 CD GLU A 42 11.117 -3.969 -8.470 1.00 0.00 C ATOM 666 OE1 GLU A 42 10.695 -5.063 -8.808 1.00 0.00 O ATOM 667 OE2 GLU A 42 11.684 -3.195 -9.223 1.00 0.00 O ATOM 0 H GLU A 42 8.701 -3.678 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 42 10.908 -5.412 -4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.431 -4.637 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.140 -5.641 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.877 -3.290 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.507 -2.646 -6.805 1.00 0.00 H new ATOM 674 N ILE A 43 11.467 -3.370 -2.836 1.00 0.00 N ATOM 675 CA ILE A 43 11.834 -2.149 -2.080 1.00 0.00 C ATOM 676 C ILE A 43 13.339 -1.935 -2.153 1.00 0.00 C ATOM 677 O ILE A 43 14.123 -2.863 -2.128 1.00 0.00 O ATOM 678 CB ILE A 43 11.381 -2.285 -0.630 1.00 0.00 C ATOM 679 CG1 ILE A 43 9.875 -2.574 -0.613 1.00 0.00 C ATOM 680 CG2 ILE A 43 11.662 -0.981 0.124 1.00 0.00 C ATOM 681 CD1 ILE A 43 9.393 -2.796 0.822 1.00 0.00 C ATOM 0 H ILE A 43 11.621 -4.249 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 43 11.337 -1.284 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 43 11.923 -3.098 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.333 -1.741 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.660 -3.456 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.337 -1.082 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.731 -0.769 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.118 -0.163 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.322 -3.000 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.923 -3.644 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.590 -1.903 1.414 1.00 0.00 H new ATOM 693 N LYS A 44 13.728 -0.704 -2.260 1.00 0.00 N ATOM 694 CA LYS A 44 15.165 -0.355 -2.357 1.00 0.00 C ATOM 695 C LYS A 44 15.386 0.851 -1.451 1.00 0.00 C ATOM 696 O LYS A 44 14.818 1.900 -1.672 1.00 0.00 O ATOM 697 CB LYS A 44 15.467 -0.009 -3.821 1.00 0.00 C ATOM 698 CG LYS A 44 14.986 -1.155 -4.721 1.00 0.00 C ATOM 699 CD LYS A 44 15.703 -1.111 -6.072 1.00 0.00 C ATOM 700 CE LYS A 44 15.464 0.234 -6.774 1.00 0.00 C ATOM 701 NZ LYS A 44 14.840 -0.007 -8.106 1.00 0.00 N ATOM 0 H LYS A 44 13.095 0.096 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 44 15.820 -1.170 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.969 0.920 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.537 0.151 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.174 -2.112 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.909 -1.080 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.772 -1.265 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.347 -1.924 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.816 0.864 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.407 0.767 -6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.138 0.737 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.141 -0.934 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.804 0.008 -8.012 1.00 0.00 H new ATOM 715 N GLN A 45 16.144 0.708 -0.395 1.00 0.00 N ATOM 716 CA GLN A 45 16.299 1.864 0.535 1.00 0.00 C ATOM 717 C GLN A 45 17.697 1.957 1.136 1.00 0.00 C ATOM 718 O GLN A 45 18.386 0.975 1.332 1.00 0.00 O ATOM 719 CB GLN A 45 15.282 1.713 1.670 1.00 0.00 C ATOM 720 CG GLN A 45 15.331 0.287 2.247 1.00 0.00 C ATOM 721 CD GLN A 45 15.627 0.338 3.750 1.00 0.00 C ATOM 722 OE1 GLN A 45 14.903 -0.231 4.542 1.00 0.00 O ATOM 723 NE2 GLN A 45 16.668 1.000 4.177 1.00 0.00 N ATOM 0 H GLN A 45 16.652 -0.139 -0.140 1.00 0.00 H new ATOM 0 HA GLN A 45 16.132 2.775 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 45 15.494 2.438 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.280 1.928 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.381 -0.217 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 45 16.099 -0.294 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 45 17.276 1.478 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 45 16.873 1.039 5.175 1.00 0.00 H new ATOM 732 N GLU A 46 18.090 3.161 1.455 1.00 0.00 N ATOM 733 CA GLU A 46 19.412 3.404 2.081 1.00 0.00 C ATOM 734 C GLU A 46 19.198 4.321 3.289 1.00 0.00 C ATOM 735 O GLU A 46 19.251 5.533 3.177 1.00 0.00 O ATOM 736 CB GLU A 46 20.331 4.087 1.070 1.00 0.00 C ATOM 737 CG GLU A 46 21.786 3.845 1.466 1.00 0.00 C ATOM 738 CD GLU A 46 22.691 4.068 0.253 1.00 0.00 C ATOM 739 OE1 GLU A 46 22.723 3.202 -0.605 1.00 0.00 O ATOM 740 OE2 GLU A 46 23.338 5.102 0.204 1.00 0.00 O ATOM 0 H GLU A 46 17.534 4.002 1.302 1.00 0.00 H new ATOM 0 HA GLU A 46 19.869 2.466 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 46 20.145 3.696 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 46 20.124 5.157 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.071 4.519 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 46 21.907 2.829 1.841 1.00 0.00 H new ATOM 747 N GLY A 47 18.932 3.753 4.438 1.00 0.00 N ATOM 748 CA GLY A 47 18.691 4.586 5.655 1.00 0.00 C ATOM 749 C GLY A 47 17.255 5.114 5.628 1.00 0.00 C ATOM 750 O GLY A 47 16.318 4.366 5.417 1.00 0.00 O ATOM 0 H GLY A 47 18.871 2.746 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.856 3.993 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.396 5.417 5.687 1.00 0.00 H new ATOM 754 N ASP A 48 17.073 6.395 5.839 1.00 0.00 N ATOM 755 CA ASP A 48 15.701 6.972 5.826 1.00 0.00 C ATOM 756 C ASP A 48 15.214 7.182 4.386 1.00 0.00 C ATOM 757 O ASP A 48 14.090 7.594 4.171 1.00 0.00 O ATOM 758 CB ASP A 48 15.707 8.305 6.560 1.00 0.00 C ATOM 759 CG ASP A 48 16.749 9.235 5.936 1.00 0.00 C ATOM 760 OD1 ASP A 48 16.438 9.851 4.930 1.00 0.00 O ATOM 761 OD2 ASP A 48 17.841 9.315 6.474 1.00 0.00 O ATOM 0 H ASP A 48 17.821 7.064 6.020 1.00 0.00 H new ATOM 0 HA ASP A 48 15.025 6.277 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.719 8.764 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.931 8.149 7.615 1.00 0.00 H new ATOM 766 N THR A 49 16.027 6.884 3.401 1.00 0.00 N ATOM 767 CA THR A 49 15.580 7.047 1.989 1.00 0.00 C ATOM 768 C THR A 49 14.975 5.717 1.535 1.00 0.00 C ATOM 769 O THR A 49 15.507 4.665 1.833 1.00 0.00 O ATOM 770 CB THR A 49 16.787 7.389 1.114 1.00 0.00 C ATOM 771 OG1 THR A 49 17.410 8.567 1.608 1.00 0.00 O ATOM 772 CG2 THR A 49 16.331 7.618 -0.326 1.00 0.00 C ATOM 0 H THR A 49 16.979 6.536 3.517 1.00 0.00 H new ATOM 0 HA THR A 49 14.845 7.847 1.905 1.00 0.00 H new ATOM 0 HB THR A 49 17.497 6.563 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.185 8.786 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 49 17.194 7.861 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.855 6.714 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.619 8.443 -0.355 1.00 0.00 H new ATOM 780 N PHE A 50 13.867 5.742 0.839 1.00 0.00 N ATOM 781 CA PHE A 50 13.250 4.458 0.396 1.00 0.00 C ATOM 782 C PHE A 50 12.719 4.556 -1.036 1.00 0.00 C ATOM 783 O PHE A 50 12.436 5.620 -1.552 1.00 0.00 O ATOM 784 CB PHE A 50 12.089 4.091 1.326 1.00 0.00 C ATOM 785 CG PHE A 50 12.601 3.970 2.735 1.00 0.00 C ATOM 786 CD1 PHE A 50 12.726 5.111 3.522 1.00 0.00 C ATOM 787 CD2 PHE A 50 12.975 2.724 3.244 1.00 0.00 C ATOM 788 CE1 PHE A 50 13.229 5.015 4.817 1.00 0.00 C ATOM 789 CE2 PHE A 50 13.475 2.623 4.546 1.00 0.00 C ATOM 790 CZ PHE A 50 13.605 3.775 5.331 1.00 0.00 C ATOM 0 H PHE A 50 13.368 6.587 0.561 1.00 0.00 H new ATOM 0 HA PHE A 50 14.024 3.691 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.311 4.853 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.637 3.151 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.432 6.073 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.878 1.839 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.328 5.903 5.424 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.760 1.660 4.944 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.997 3.703 6.335 1.00 0.00 H new ATOM 800 N TYR A 51 12.554 3.421 -1.649 1.00 0.00 N ATOM 801 CA TYR A 51 12.008 3.335 -3.029 1.00 0.00 C ATOM 802 C TYR A 51 11.010 2.173 -2.976 1.00 0.00 C ATOM 803 O TYR A 51 11.211 1.228 -2.236 1.00 0.00 O ATOM 804 CB TYR A 51 13.183 3.099 -4.017 1.00 0.00 C ATOM 805 CG TYR A 51 12.789 2.295 -5.244 1.00 0.00 C ATOM 806 CD1 TYR A 51 12.572 0.921 -5.140 1.00 0.00 C ATOM 807 CD2 TYR A 51 12.690 2.919 -6.486 1.00 0.00 C ATOM 808 CE1 TYR A 51 12.257 0.171 -6.264 1.00 0.00 C ATOM 809 CE2 TYR A 51 12.362 2.165 -7.624 1.00 0.00 C ATOM 810 CZ TYR A 51 12.147 0.789 -7.514 1.00 0.00 C ATOM 811 OH TYR A 51 11.843 0.047 -8.644 1.00 0.00 O ATOM 0 H TYR A 51 12.783 2.517 -1.235 1.00 0.00 H new ATOM 0 HA TYR A 51 11.507 4.239 -3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 51 13.579 4.063 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.988 2.581 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.650 0.437 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.865 3.981 -6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.096 -0.893 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.276 2.649 -8.585 1.00 0.00 H new ATOM 0 HH TYR A 51 11.737 -0.896 -8.398 1.00 0.00 H new ATOM 821 N ILE A 52 9.927 2.243 -3.699 1.00 0.00 N ATOM 822 CA ILE A 52 8.922 1.135 -3.614 1.00 0.00 C ATOM 823 C ILE A 52 8.260 0.925 -4.973 1.00 0.00 C ATOM 824 O ILE A 52 7.462 1.731 -5.405 1.00 0.00 O ATOM 825 CB ILE A 52 7.848 1.490 -2.569 1.00 0.00 C ATOM 826 CG1 ILE A 52 8.506 2.144 -1.338 1.00 0.00 C ATOM 827 CG2 ILE A 52 7.122 0.213 -2.142 1.00 0.00 C ATOM 828 CD1 ILE A 52 7.452 2.469 -0.276 1.00 0.00 C ATOM 0 H ILE A 52 9.692 3.004 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 52 9.430 0.217 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 52 7.137 2.191 -3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.257 1.473 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.024 3.056 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.360 0.458 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.650 -0.245 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.838 -0.485 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.934 2.930 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.717 3.158 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.954 1.551 0.035 1.00 0.00 H new ATOM 840 N LYS A 53 8.587 -0.151 -5.651 1.00 0.00 N ATOM 841 CA LYS A 53 7.976 -0.399 -6.990 1.00 0.00 C ATOM 842 C LYS A 53 7.107 -1.659 -6.976 1.00 0.00 C ATOM 843 O LYS A 53 7.600 -2.768 -7.053 1.00 0.00 O ATOM 844 CB LYS A 53 9.079 -0.552 -8.037 1.00 0.00 C ATOM 845 CG LYS A 53 8.458 -0.605 -9.438 1.00 0.00 C ATOM 846 CD LYS A 53 9.154 -1.683 -10.274 1.00 0.00 C ATOM 847 CE LYS A 53 10.355 -1.077 -11.006 1.00 0.00 C ATOM 848 NZ LYS A 53 9.990 -0.816 -12.427 1.00 0.00 N ATOM 0 H LYS A 53 9.247 -0.862 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 53 7.343 0.452 -7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.776 0.283 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.650 -1.461 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.392 -0.820 -9.365 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.555 0.365 -9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.483 -2.499 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.454 -2.107 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.660 -0.149 -10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.206 -1.757 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.805 -0.404 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.719 -1.709 -12.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.191 -0.152 -12.464 1.00 0.00 H new ATOM 983 N GLU A 62 5.773 3.551 -8.805 1.00 0.00 N ATOM 984 CA GLU A 62 6.659 3.344 -7.623 1.00 0.00 C ATOM 985 C GLU A 62 6.955 4.689 -6.948 1.00 0.00 C ATOM 986 O GLU A 62 7.110 5.699 -7.609 1.00 0.00 O ATOM 987 CB GLU A 62 7.965 2.658 -8.078 1.00 0.00 C ATOM 988 CG GLU A 62 8.805 3.580 -8.965 1.00 0.00 C ATOM 989 CD GLU A 62 8.144 3.730 -10.337 1.00 0.00 C ATOM 990 OE1 GLU A 62 7.976 2.723 -11.005 1.00 0.00 O ATOM 991 OE2 GLU A 62 7.817 4.849 -10.696 1.00 0.00 O ATOM 0 HA GLU A 62 6.160 2.703 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.546 2.364 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.726 1.745 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.909 4.557 -8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.810 3.173 -9.079 1.00 0.00 H new ATOM 998 N ILE A 63 7.038 4.706 -5.638 1.00 0.00 N ATOM 999 CA ILE A 63 7.330 5.990 -4.927 1.00 0.00 C ATOM 1000 C ILE A 63 8.811 6.062 -4.578 1.00 0.00 C ATOM 1001 O ILE A 63 9.282 5.406 -3.668 1.00 0.00 O ATOM 1002 CB ILE A 63 6.487 6.152 -3.643 1.00 0.00 C ATOM 1003 CG1 ILE A 63 6.290 4.805 -2.922 1.00 0.00 C ATOM 1004 CG2 ILE A 63 5.130 6.742 -4.021 1.00 0.00 C ATOM 1005 CD1 ILE A 63 5.446 5.000 -1.655 1.00 0.00 C ATOM 0 H ILE A 63 6.917 3.892 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 63 7.063 6.804 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 63 7.014 6.816 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.800 4.096 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.259 4.379 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.523 6.862 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.275 7.713 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.623 6.072 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.314 4.041 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.953 5.693 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.471 5.405 -1.926 1.00 0.00 H new ATOM 1017 N ASN A 64 9.541 6.882 -5.288 1.00 0.00 N ATOM 1018 CA ASN A 64 10.986 7.047 -4.997 1.00 0.00 C ATOM 1019 C ASN A 64 11.099 8.249 -4.083 1.00 0.00 C ATOM 1020 O ASN A 64 11.311 9.366 -4.518 1.00 0.00 O ATOM 1021 CB ASN A 64 11.778 7.297 -6.286 1.00 0.00 C ATOM 1022 CG ASN A 64 11.367 6.296 -7.372 1.00 0.00 C ATOM 1023 OD1 ASN A 64 10.951 5.106 -7.034 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 11.427 6.603 -8.546 1.00 0.00 N flip ATOM 0 H ASN A 64 9.190 7.446 -6.062 1.00 0.00 H new ATOM 0 HA ASN A 64 11.394 6.147 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.603 8.314 -6.636 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.846 7.208 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.752 7.532 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.153 5.932 -9.263 1.00 0.00 H new ATOM 1031 N PHE A 65 10.894 8.024 -2.827 1.00 0.00 N ATOM 1032 CA PHE A 65 10.910 9.138 -1.848 1.00 0.00 C ATOM 1033 C PHE A 65 11.927 8.858 -0.735 1.00 0.00 C ATOM 1034 O PHE A 65 12.787 8.013 -0.851 1.00 0.00 O ATOM 1035 CB PHE A 65 9.487 9.234 -1.248 1.00 0.00 C ATOM 1036 CG PHE A 65 9.222 8.020 -0.362 1.00 0.00 C ATOM 1037 CD1 PHE A 65 8.843 6.801 -0.938 1.00 0.00 C ATOM 1038 CD2 PHE A 65 9.407 8.105 1.027 1.00 0.00 C ATOM 1039 CE1 PHE A 65 8.646 5.677 -0.137 1.00 0.00 C ATOM 1040 CE2 PHE A 65 9.217 6.976 1.827 1.00 0.00 C ATOM 1041 CZ PHE A 65 8.836 5.762 1.247 1.00 0.00 C ATOM 0 H PHE A 65 10.713 7.103 -2.427 1.00 0.00 H new ATOM 0 HA PHE A 65 11.196 10.071 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.388 10.150 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.747 9.282 -2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.703 6.731 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.696 9.043 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.347 4.741 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.365 7.041 2.895 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.688 4.890 1.867 1.00 0.00 H new ATOM 1051 N LYS A 66 11.772 9.551 0.354 1.00 0.00 N ATOM 1052 CA LYS A 66 12.625 9.361 1.547 1.00 0.00 C ATOM 1053 C LYS A 66 11.730 9.712 2.725 1.00 0.00 C ATOM 1054 O LYS A 66 11.164 10.787 2.767 1.00 0.00 O ATOM 1055 CB LYS A 66 13.842 10.283 1.501 1.00 0.00 C ATOM 1056 CG LYS A 66 13.403 11.706 1.164 1.00 0.00 C ATOM 1057 CD LYS A 66 14.635 12.592 0.973 1.00 0.00 C ATOM 1058 CE LYS A 66 14.339 13.660 -0.083 1.00 0.00 C ATOM 1059 NZ LYS A 66 14.831 13.197 -1.410 1.00 0.00 N ATOM 0 H LYS A 66 11.058 10.270 0.466 1.00 0.00 H new ATOM 0 HA LYS A 66 13.014 8.345 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.356 10.270 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.552 9.926 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.799 11.706 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.777 12.103 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.906 13.065 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.487 11.986 0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.267 13.854 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.822 14.599 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.630 13.923 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.857 13.033 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.350 12.312 -1.669 1.00 0.00 H new ATOM 1073 N VAL A 67 11.538 8.796 3.641 1.00 0.00 N ATOM 1074 CA VAL A 67 10.612 9.040 4.796 1.00 0.00 C ATOM 1075 C VAL A 67 10.814 10.446 5.383 1.00 0.00 C ATOM 1076 O VAL A 67 11.907 10.980 5.400 1.00 0.00 O ATOM 1077 CB VAL A 67 10.830 7.969 5.863 1.00 0.00 C ATOM 1078 CG1 VAL A 67 9.874 8.216 7.032 1.00 0.00 C ATOM 1079 CG2 VAL A 67 10.526 6.594 5.268 1.00 0.00 C ATOM 0 H VAL A 67 11.986 7.880 3.640 1.00 0.00 H new ATOM 0 HA VAL A 67 9.584 8.981 4.438 1.00 0.00 H new ATOM 0 HB VAL A 67 11.863 8.008 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.028 7.453 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.068 9.200 7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.845 8.171 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.681 5.827 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.491 6.565 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.190 6.408 4.424 1.00 0.00 H new ATOM 1089 N GLY A 68 9.742 11.050 5.811 1.00 0.00 N ATOM 1090 CA GLY A 68 9.811 12.436 6.345 1.00 0.00 C ATOM 1091 C GLY A 68 9.426 13.414 5.222 1.00 0.00 C ATOM 1092 O GLY A 68 9.706 14.595 5.296 1.00 0.00 O ATOM 0 H GLY A 68 8.810 10.636 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.136 12.549 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.816 12.652 6.707 1.00 0.00 H new ATOM 1096 N GLU A 69 8.787 12.924 4.176 1.00 0.00 N ATOM 1097 CA GLU A 69 8.385 13.810 3.048 1.00 0.00 C ATOM 1098 C GLU A 69 7.058 13.316 2.462 1.00 0.00 C ATOM 1099 O GLU A 69 6.562 12.261 2.821 1.00 0.00 O ATOM 1100 CB GLU A 69 9.466 13.780 1.965 1.00 0.00 C ATOM 1101 CG GLU A 69 10.597 14.738 2.346 1.00 0.00 C ATOM 1102 CD GLU A 69 11.180 15.371 1.081 1.00 0.00 C ATOM 1103 OE1 GLU A 69 10.409 15.692 0.192 1.00 0.00 O ATOM 1104 OE2 GLU A 69 12.389 15.525 1.024 1.00 0.00 O ATOM 0 H GLU A 69 8.530 11.943 4.064 1.00 0.00 H new ATOM 0 HA GLU A 69 8.265 14.831 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.855 12.768 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.040 14.067 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.221 15.514 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.375 14.201 2.888 1.00 0.00 H new ATOM 1111 N GLU A 70 6.471 14.082 1.575 1.00 0.00 N ATOM 1112 CA GLU A 70 5.162 13.679 0.973 1.00 0.00 C ATOM 1113 C GLU A 70 5.271 13.489 -0.534 1.00 0.00 C ATOM 1114 O GLU A 70 6.208 13.928 -1.172 1.00 0.00 O ATOM 1115 CB GLU A 70 4.121 14.779 1.207 1.00 0.00 C ATOM 1116 CG GLU A 70 4.713 16.148 0.861 1.00 0.00 C ATOM 1117 CD GLU A 70 5.198 16.837 2.138 1.00 0.00 C ATOM 1118 OE1 GLU A 70 4.360 17.318 2.883 1.00 0.00 O ATOM 1119 OE2 GLU A 70 6.399 16.872 2.349 1.00 0.00 O ATOM 0 H GLU A 70 6.843 14.971 1.241 1.00 0.00 H new ATOM 0 HA GLU A 70 4.871 12.741 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.239 14.591 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.796 14.767 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.541 16.031 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.963 16.765 0.366 1.00 0.00 H new ATOM 1126 N PHE A 71 4.259 12.891 -1.105 1.00 0.00 N ATOM 1127 CA PHE A 71 4.206 12.717 -2.580 1.00 0.00 C ATOM 1128 C PHE A 71 2.907 13.359 -3.040 1.00 0.00 C ATOM 1129 O PHE A 71 2.192 13.948 -2.256 1.00 0.00 O ATOM 1130 CB PHE A 71 4.182 11.236 -3.025 1.00 0.00 C ATOM 1131 CG PHE A 71 4.837 10.297 -2.035 1.00 0.00 C ATOM 1132 CD1 PHE A 71 6.030 10.640 -1.388 1.00 0.00 C ATOM 1133 CD2 PHE A 71 4.248 9.049 -1.797 1.00 0.00 C ATOM 1134 CE1 PHE A 71 6.624 9.729 -0.500 1.00 0.00 C ATOM 1135 CE2 PHE A 71 4.849 8.144 -0.922 1.00 0.00 C ATOM 1136 CZ PHE A 71 6.030 8.481 -0.275 1.00 0.00 C ATOM 0 H PHE A 71 3.457 12.512 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 71 5.101 13.166 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.148 10.927 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.686 11.146 -3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.491 11.600 -1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.325 8.786 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.539 9.991 0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.395 7.180 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.492 7.779 0.404 1.00 0.00 H new ATOM 1146 N GLU A 72 2.584 13.223 -4.289 1.00 0.00 N ATOM 1147 CA GLU A 72 1.308 13.795 -4.794 1.00 0.00 C ATOM 1148 C GLU A 72 0.494 12.687 -5.437 1.00 0.00 C ATOM 1149 O GLU A 72 1.025 11.666 -5.836 1.00 0.00 O ATOM 1150 CB GLU A 72 1.575 14.878 -5.827 1.00 0.00 C ATOM 1151 CG GLU A 72 2.519 15.917 -5.234 1.00 0.00 C ATOM 1152 CD GLU A 72 3.190 16.705 -6.360 1.00 0.00 C ATOM 1153 OE1 GLU A 72 3.601 16.084 -7.327 1.00 0.00 O ATOM 1154 OE2 GLU A 72 3.281 17.915 -6.237 1.00 0.00 O ATOM 0 H GLU A 72 3.149 12.739 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 72 0.764 14.235 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.014 14.441 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.639 15.349 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.967 16.594 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.274 15.428 -4.619 1.00 0.00 H new ATOM 1161 N GLU A 73 -0.787 12.880 -5.539 1.00 0.00 N ATOM 1162 CA GLU A 73 -1.649 11.831 -6.159 1.00 0.00 C ATOM 1163 C GLU A 73 -3.015 12.407 -6.520 1.00 0.00 C ATOM 1164 O GLU A 73 -3.247 13.596 -6.442 1.00 0.00 O ATOM 1165 CB GLU A 73 -1.824 10.669 -5.168 1.00 0.00 C ATOM 1166 CG GLU A 73 -0.960 9.479 -5.605 1.00 0.00 C ATOM 1167 CD GLU A 73 -0.333 8.818 -4.375 1.00 0.00 C ATOM 1168 OE1 GLU A 73 0.327 9.516 -3.624 1.00 0.00 O ATOM 1169 OE2 GLU A 73 -0.524 7.625 -4.207 1.00 0.00 O ATOM 0 H GLU A 73 -1.278 13.716 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.171 11.472 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.539 10.988 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.872 10.372 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.568 8.756 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.179 9.815 -6.287 1.00 0.00 H new ATOM 1280 N CYS A 81 -5.302 14.223 -4.203 1.00 0.00 N ATOM 1281 CA CYS A 81 -4.847 13.689 -2.884 1.00 0.00 C ATOM 1282 C CYS A 81 -3.340 13.452 -2.896 1.00 0.00 C ATOM 1283 O CYS A 81 -2.779 12.946 -3.847 1.00 0.00 O ATOM 1284 CB CYS A 81 -5.569 12.366 -2.582 1.00 0.00 C ATOM 1285 SG CYS A 81 -5.235 11.158 -3.890 1.00 0.00 S ATOM 0 HA CYS A 81 -5.084 14.421 -2.112 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.237 11.973 -1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.642 12.539 -2.502 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.850 10.045 -3.620 1.00 0.00 H new ATOM 1291 N LYS A 82 -2.701 13.801 -1.821 1.00 0.00 N ATOM 1292 CA LYS A 82 -1.236 13.599 -1.702 1.00 0.00 C ATOM 1293 C LYS A 82 -0.982 12.537 -0.638 1.00 0.00 C ATOM 1294 O LYS A 82 -1.903 11.931 -0.122 1.00 0.00 O ATOM 1295 CB LYS A 82 -0.576 14.911 -1.291 1.00 0.00 C ATOM 1296 CG LYS A 82 -1.189 15.431 0.022 1.00 0.00 C ATOM 1297 CD LYS A 82 -0.593 16.804 0.396 1.00 0.00 C ATOM 1298 CE LYS A 82 0.926 16.815 0.178 1.00 0.00 C ATOM 1299 NZ LYS A 82 1.568 17.732 1.161 1.00 0.00 N ATOM 0 H LYS A 82 -3.140 14.226 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.819 13.277 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.496 14.762 -1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.705 15.653 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.271 15.515 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.002 14.717 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.057 17.584 -0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.817 17.031 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.326 15.808 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.155 17.137 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.383 18.201 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.880 18.449 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.890 17.186 1.986 1.00 0.00 H new ATOM 1313 N SER A 83 0.256 12.303 -0.316 1.00 0.00 N ATOM 1314 CA SER A 83 0.577 11.269 0.711 1.00 0.00 C ATOM 1315 C SER A 83 1.761 11.704 1.558 1.00 0.00 C ATOM 1316 O SER A 83 2.341 12.743 1.339 1.00 0.00 O ATOM 1317 CB SER A 83 0.934 9.966 0.004 1.00 0.00 C ATOM 1318 OG SER A 83 1.944 10.229 -0.966 1.00 0.00 O ATOM 0 H SER A 83 1.062 12.781 -0.718 1.00 0.00 H new ATOM 0 HA SER A 83 -0.290 11.134 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.287 9.230 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.051 9.543 -0.476 1.00 0.00 H new ATOM 0 HG SER A 83 2.612 9.513 -0.945 1.00 0.00 H new ATOM 1324 N LEU A 84 2.126 10.899 2.519 1.00 0.00 N ATOM 1325 CA LEU A 84 3.295 11.248 3.382 1.00 0.00 C ATOM 1326 C LEU A 84 3.711 10.043 4.218 1.00 0.00 C ATOM 1327 O LEU A 84 2.954 9.550 5.028 1.00 0.00 O ATOM 1328 CB LEU A 84 2.932 12.417 4.293 1.00 0.00 C ATOM 1329 CG LEU A 84 4.108 13.390 4.345 1.00 0.00 C ATOM 1330 CD1 LEU A 84 3.598 14.785 4.686 1.00 0.00 C ATOM 1331 CD2 LEU A 84 5.107 12.929 5.405 1.00 0.00 C ATOM 0 H LEU A 84 1.668 10.016 2.745 1.00 0.00 H new ATOM 0 HA LEU A 84 4.132 11.537 2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.041 12.923 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.698 12.056 5.294 1.00 0.00 H new ATOM 0 HG LEU A 84 4.603 13.416 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.437 15.480 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.891 15.110 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.101 14.764 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.946 13.624 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.617 12.900 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.472 11.933 5.153 1.00 0.00 H new ATOM 1343 N VAL A 85 4.914 9.567 4.013 1.00 0.00 N ATOM 1344 CA VAL A 85 5.401 8.376 4.771 1.00 0.00 C ATOM 1345 C VAL A 85 6.090 8.804 6.076 1.00 0.00 C ATOM 1346 O VAL A 85 6.751 9.820 6.149 1.00 0.00 O ATOM 1347 CB VAL A 85 6.377 7.587 3.877 1.00 0.00 C ATOM 1348 CG1 VAL A 85 7.094 6.485 4.679 1.00 0.00 C ATOM 1349 CG2 VAL A 85 5.590 6.939 2.737 1.00 0.00 C ATOM 0 H VAL A 85 5.583 9.956 3.348 1.00 0.00 H new ATOM 0 HA VAL A 85 4.554 7.744 5.038 1.00 0.00 H new ATOM 0 HB VAL A 85 7.126 8.276 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.777 5.944 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.657 6.937 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.357 5.793 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.271 6.378 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.841 6.264 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.096 7.713 2.150 1.00 0.00 H new ATOM 1359 N LYS A 86 5.944 7.995 7.095 1.00 0.00 N ATOM 1360 CA LYS A 86 6.579 8.276 8.407 1.00 0.00 C ATOM 1361 C LYS A 86 6.905 6.941 9.084 1.00 0.00 C ATOM 1362 O LYS A 86 6.974 5.911 8.442 1.00 0.00 O ATOM 1363 CB LYS A 86 5.614 9.086 9.276 1.00 0.00 C ATOM 1364 CG LYS A 86 6.372 10.189 10.025 1.00 0.00 C ATOM 1365 CD LYS A 86 7.033 11.154 9.028 1.00 0.00 C ATOM 1366 CE LYS A 86 8.554 10.935 9.007 1.00 0.00 C ATOM 1367 NZ LYS A 86 9.238 12.164 9.500 1.00 0.00 N ATOM 0 H LYS A 86 5.398 7.134 7.066 1.00 0.00 H new ATOM 0 HA LYS A 86 7.495 8.852 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.836 9.528 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.116 8.429 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.686 10.737 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.131 9.745 10.669 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.622 10.996 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.810 12.184 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.818 10.083 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.885 10.702 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.223 12.171 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.744 13.005 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.224 12.175 10.540 1.00 0.00 H new ATOM 1381 N TRP A 87 7.125 6.961 10.368 1.00 0.00 N ATOM 1382 CA TRP A 87 7.470 5.708 11.102 1.00 0.00 C ATOM 1383 C TRP A 87 6.498 5.449 12.247 1.00 0.00 C ATOM 1384 O TRP A 87 5.545 6.170 12.467 1.00 0.00 O ATOM 1385 CB TRP A 87 8.859 5.856 11.690 1.00 0.00 C ATOM 1386 CG TRP A 87 9.811 5.992 10.581 1.00 0.00 C ATOM 1387 CD1 TRP A 87 10.313 7.154 10.146 1.00 0.00 C ATOM 1388 CD2 TRP A 87 10.361 4.951 9.737 1.00 0.00 C ATOM 1389 NE1 TRP A 87 11.178 6.895 9.111 1.00 0.00 N ATOM 1390 CE2 TRP A 87 11.233 5.551 8.813 1.00 0.00 C ATOM 1391 CE3 TRP A 87 10.195 3.557 9.693 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 11.922 4.799 7.871 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 10.884 2.794 8.742 1.00 0.00 C ATOM 1394 CH2 TRP A 87 11.747 3.415 7.833 1.00 0.00 C ATOM 0 H TRP A 87 7.081 7.799 10.948 1.00 0.00 H new ATOM 0 HA TRP A 87 7.418 4.876 10.400 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.906 6.729 12.341 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.108 4.989 12.301 1.00 0.00 H new ATOM 0 HD1 TRP A 87 10.078 8.131 10.542 1.00 0.00 H new ATOM 0 HE1 TRP A 87 11.715 7.611 8.622 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.533 3.072 10.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 12.589 5.282 7.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 10.749 1.723 8.710 1.00 0.00 H new ATOM 0 HH2 TRP A 87 12.278 2.823 7.102 1.00 0.00 H new ATOM 1405 N GLU A 88 6.770 4.411 12.979 1.00 0.00 N ATOM 1406 CA GLU A 88 5.930 4.034 14.142 1.00 0.00 C ATOM 1407 C GLU A 88 6.889 3.621 15.264 1.00 0.00 C ATOM 1408 O GLU A 88 6.848 4.135 16.365 1.00 0.00 O ATOM 1409 CB GLU A 88 5.010 2.868 13.707 1.00 0.00 C ATOM 1410 CG GLU A 88 4.658 1.924 14.871 1.00 0.00 C ATOM 1411 CD GLU A 88 3.891 2.695 15.947 1.00 0.00 C ATOM 1412 OE1 GLU A 88 3.097 3.547 15.585 1.00 0.00 O ATOM 1413 OE2 GLU A 88 4.111 2.419 17.115 1.00 0.00 O ATOM 0 H GLU A 88 7.563 3.791 12.814 1.00 0.00 H new ATOM 0 HA GLU A 88 5.297 4.848 14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.091 3.274 13.283 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.501 2.298 12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.055 1.092 14.507 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.568 1.498 15.294 1.00 0.00 H new ATOM 1420 N SER A 89 7.747 2.691 14.964 1.00 0.00 N ATOM 1421 CA SER A 89 8.733 2.206 15.965 1.00 0.00 C ATOM 1422 C SER A 89 10.145 2.361 15.400 1.00 0.00 C ATOM 1423 O SER A 89 11.021 2.932 16.017 1.00 0.00 O ATOM 1424 CB SER A 89 8.466 0.727 16.242 1.00 0.00 C ATOM 1425 OG SER A 89 8.352 0.035 15.000 1.00 0.00 O ATOM 0 H SER A 89 7.808 2.239 14.052 1.00 0.00 H new ATOM 0 HA SER A 89 8.642 2.783 16.885 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.276 0.303 16.836 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.551 0.612 16.822 1.00 0.00 H new ATOM 0 HG SER A 89 8.182 -0.915 15.169 1.00 0.00 H new ATOM 1431 N GLU A 90 10.352 1.839 14.223 1.00 0.00 N ATOM 1432 CA GLU A 90 11.685 1.900 13.542 1.00 0.00 C ATOM 1433 C GLU A 90 11.626 0.959 12.340 1.00 0.00 C ATOM 1434 O GLU A 90 12.156 1.235 11.282 1.00 0.00 O ATOM 1435 CB GLU A 90 12.812 1.446 14.483 1.00 0.00 C ATOM 1436 CG GLU A 90 12.463 0.085 15.095 1.00 0.00 C ATOM 1437 CD GLU A 90 12.998 0.014 16.526 1.00 0.00 C ATOM 1438 OE1 GLU A 90 12.737 0.936 17.282 1.00 0.00 O ATOM 1439 OE2 GLU A 90 13.660 -0.961 16.843 1.00 0.00 O ATOM 0 H GLU A 90 9.632 1.357 13.685 1.00 0.00 H new ATOM 0 HA GLU A 90 11.895 2.926 13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 90 13.751 1.378 13.934 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.958 2.183 15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 90 11.383 -0.060 15.092 1.00 0.00 H new ATOM 0 HG3 GLU A 90 12.894 -0.716 14.495 1.00 0.00 H new ATOM 1446 N ASN A 91 10.935 -0.137 12.503 1.00 0.00 N ATOM 1447 CA ASN A 91 10.759 -1.112 11.392 1.00 0.00 C ATOM 1448 C ASN A 91 9.292 -1.087 10.947 1.00 0.00 C ATOM 1449 O ASN A 91 8.895 -1.837 10.079 1.00 0.00 O ATOM 1450 CB ASN A 91 11.110 -2.515 11.870 1.00 0.00 C ATOM 1451 CG ASN A 91 12.569 -2.573 12.327 1.00 0.00 C ATOM 1452 OD1 ASN A 91 13.220 -1.557 12.474 1.00 0.00 O ATOM 1453 ND2 ASN A 91 13.114 -3.737 12.551 1.00 0.00 N ATOM 0 H ASN A 91 10.478 -0.401 13.376 1.00 0.00 H new ATOM 0 HA ASN A 91 11.414 -0.843 10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.453 -2.801 12.692 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.945 -3.232 11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 91 14.087 -3.795 12.850 1.00 0.00 H new ATOM 0 HD22 ASN A 91 12.567 -4.589 12.427 1.00 0.00 H new ATOM 1460 N LYS A 92 8.485 -0.222 11.531 1.00 0.00 N ATOM 1461 CA LYS A 92 7.071 -0.126 11.128 1.00 0.00 C ATOM 1462 C LYS A 92 6.847 1.312 10.662 1.00 0.00 C ATOM 1463 O LYS A 92 7.092 2.245 11.394 1.00 0.00 O ATOM 1464 CB LYS A 92 6.176 -0.441 12.325 1.00 0.00 C ATOM 1465 CG LYS A 92 4.807 -0.888 11.827 1.00 0.00 C ATOM 1466 CD LYS A 92 3.902 0.330 11.638 1.00 0.00 C ATOM 1467 CE LYS A 92 2.460 -0.136 11.428 1.00 0.00 C ATOM 1468 NZ LYS A 92 1.527 0.998 11.687 1.00 0.00 N ATOM 0 H LYS A 92 8.765 0.419 12.274 1.00 0.00 H new ATOM 0 HA LYS A 92 6.831 -0.833 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.627 -1.224 12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.075 0.439 12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.910 -1.426 10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.358 -1.579 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.962 0.980 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.235 0.915 10.781 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.330 -0.502 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.234 -0.966 12.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.547 0.681 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.645 1.328 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.738 1.777 11.031 1.00 0.00 H new ATOM 1482 N MET A 93 6.412 1.499 9.450 1.00 0.00 N ATOM 1483 CA MET A 93 6.199 2.876 8.929 1.00 0.00 C ATOM 1484 C MET A 93 4.799 3.012 8.362 1.00 0.00 C ATOM 1485 O MET A 93 4.122 2.045 8.069 1.00 0.00 O ATOM 1486 CB MET A 93 7.216 3.250 7.832 1.00 0.00 C ATOM 1487 CG MET A 93 7.762 2.011 7.104 1.00 0.00 C ATOM 1488 SD MET A 93 8.015 2.390 5.351 1.00 0.00 S ATOM 1489 CE MET A 93 9.060 3.846 5.592 1.00 0.00 C ATOM 0 H MET A 93 6.193 0.751 8.792 1.00 0.00 H new ATOM 0 HA MET A 93 6.337 3.555 9.770 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.742 3.915 7.110 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.043 3.802 8.278 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.702 1.697 7.557 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.065 1.180 7.209 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.372 4.234 4.623 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.499 4.612 6.126 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.940 3.570 6.173 1.00 0.00 H new ATOM 1499 N VAL A 94 4.372 4.227 8.218 1.00 0.00 N ATOM 1500 CA VAL A 94 3.014 4.504 7.681 1.00 0.00 C ATOM 1501 C VAL A 94 3.114 5.367 6.434 1.00 0.00 C ATOM 1502 O VAL A 94 4.184 5.690 5.959 1.00 0.00 O ATOM 1503 CB VAL A 94 2.200 5.268 8.728 1.00 0.00 C ATOM 1504 CG1 VAL A 94 1.740 4.315 9.826 1.00 0.00 C ATOM 1505 CG2 VAL A 94 3.070 6.367 9.331 1.00 0.00 C ATOM 0 H VAL A 94 4.915 5.058 8.453 1.00 0.00 H new ATOM 0 HA VAL A 94 2.532 3.557 7.439 1.00 0.00 H new ATOM 0 HB VAL A 94 1.323 5.711 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.161 4.866 10.567 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.120 3.531 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.610 3.866 10.305 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.497 6.916 10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.946 5.921 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.390 7.051 8.545 1.00 0.00 H new ATOM 1515 N CYS A 95 1.988 5.752 5.924 1.00 0.00 N ATOM 1516 CA CYS A 95 1.943 6.622 4.726 1.00 0.00 C ATOM 1517 C CYS A 95 0.540 7.188 4.642 1.00 0.00 C ATOM 1518 O CYS A 95 -0.277 6.733 3.870 1.00 0.00 O ATOM 1519 CB CYS A 95 2.259 5.819 3.475 1.00 0.00 C ATOM 1520 SG CYS A 95 2.385 6.942 2.061 1.00 0.00 S ATOM 0 H CYS A 95 1.074 5.494 6.296 1.00 0.00 H new ATOM 0 HA CYS A 95 2.682 7.420 4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.194 5.273 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.479 5.078 3.298 1.00 0.00 H new ATOM 0 HG CYS A 95 2.422 6.251 0.960 1.00 0.00 H new ATOM 1526 N GLU A 96 0.245 8.153 5.468 1.00 0.00 N ATOM 1527 CA GLU A 96 -1.128 8.721 5.479 1.00 0.00 C ATOM 1528 C GLU A 96 -1.409 9.484 4.188 1.00 0.00 C ATOM 1529 O GLU A 96 -0.852 10.536 3.938 1.00 0.00 O ATOM 1530 CB GLU A 96 -1.302 9.661 6.670 1.00 0.00 C ATOM 1531 CG GLU A 96 -2.776 10.055 6.772 1.00 0.00 C ATOM 1532 CD GLU A 96 -2.943 11.159 7.818 1.00 0.00 C ATOM 1533 OE1 GLU A 96 -2.358 12.214 7.635 1.00 0.00 O ATOM 1534 OE2 GLU A 96 -3.654 10.931 8.783 1.00 0.00 O ATOM 0 H GLU A 96 0.895 8.571 6.134 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.834 7.894 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.977 9.172 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.681 10.548 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.138 10.400 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.376 9.187 7.046 1.00 0.00 H new ATOM 1541 N GLN A 97 -2.290 8.962 3.380 1.00 0.00 N ATOM 1542 CA GLN A 97 -2.651 9.637 2.115 1.00 0.00 C ATOM 1543 C GLN A 97 -3.987 10.360 2.313 1.00 0.00 C ATOM 1544 O GLN A 97 -4.958 9.766 2.744 1.00 0.00 O ATOM 1545 CB GLN A 97 -2.786 8.586 1.018 1.00 0.00 C ATOM 1546 CG GLN A 97 -1.475 7.811 0.886 1.00 0.00 C ATOM 1547 CD GLN A 97 -1.252 7.427 -0.578 1.00 0.00 C ATOM 1548 OE1 GLN A 97 -2.193 7.313 -1.339 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.037 7.220 -1.008 1.00 0.00 N ATOM 0 H GLN A 97 -2.779 8.083 3.551 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.884 10.358 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.602 7.903 1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.034 9.064 0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.644 8.419 1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.506 6.916 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.753 7.316 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.122 6.963 -1.982 1.00 0.00 H new ATOM 1558 N LYS A 98 -4.046 11.636 2.022 1.00 0.00 N ATOM 1559 CA LYS A 98 -5.329 12.385 2.217 1.00 0.00 C ATOM 1560 C LYS A 98 -5.715 13.119 0.932 1.00 0.00 C ATOM 1561 O LYS A 98 -4.888 13.357 0.076 1.00 0.00 O ATOM 1562 CB LYS A 98 -5.153 13.402 3.347 1.00 0.00 C ATOM 1563 CG LYS A 98 -3.940 14.287 3.051 1.00 0.00 C ATOM 1564 CD LYS A 98 -3.711 15.247 4.220 1.00 0.00 C ATOM 1565 CE LYS A 98 -2.321 15.874 4.099 1.00 0.00 C ATOM 1566 NZ LYS A 98 -1.955 16.524 5.389 1.00 0.00 N ATOM 0 H LYS A 98 -3.269 12.189 1.661 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.118 11.677 2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.049 14.015 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.017 12.886 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.055 13.670 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.102 14.849 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.474 16.025 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.800 14.713 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.587 15.110 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.311 16.608 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.010 16.950 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.650 17.264 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.949 15.812 6.147 1.00 0.00 H new ATOM 1580 N LEU A 99 -6.967 13.497 0.801 1.00 0.00 N ATOM 1581 CA LEU A 99 -7.400 14.240 -0.431 1.00 0.00 C ATOM 1582 C LEU A 99 -7.422 15.742 -0.144 1.00 0.00 C ATOM 1583 O LEU A 99 -8.261 16.466 -0.638 1.00 0.00 O ATOM 1584 CB LEU A 99 -8.783 13.786 -0.949 1.00 0.00 C ATOM 1585 CG LEU A 99 -9.695 13.342 0.195 1.00 0.00 C ATOM 1586 CD1 LEU A 99 -11.142 13.737 -0.115 1.00 0.00 C ATOM 1587 CD2 LEU A 99 -9.610 11.822 0.346 1.00 0.00 C ATOM 0 H LEU A 99 -7.702 13.326 1.487 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.676 14.014 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.254 14.604 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.656 12.964 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.378 13.825 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.789 13.419 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.207 14.819 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.461 13.255 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.259 11.500 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.929 11.346 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.582 11.535 0.566 1.00 0.00 H new ATOM 1599 N LEU A 100 -6.480 16.210 0.638 1.00 0.00 N ATOM 1600 CA LEU A 100 -6.391 17.669 0.963 1.00 0.00 C ATOM 1601 C LEU A 100 -7.632 18.156 1.725 1.00 0.00 C ATOM 1602 O LEU A 100 -7.842 19.346 1.868 1.00 0.00 O ATOM 1603 CB LEU A 100 -6.249 18.471 -0.328 1.00 0.00 C ATOM 1604 CG LEU A 100 -5.037 17.965 -1.114 1.00 0.00 C ATOM 1605 CD1 LEU A 100 -5.219 18.280 -2.598 1.00 0.00 C ATOM 1606 CD2 LEU A 100 -3.770 18.652 -0.599 1.00 0.00 C ATOM 0 H LEU A 100 -5.758 15.634 1.071 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.519 17.817 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.152 18.374 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.131 19.530 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.946 16.887 -0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.355 17.919 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.120 17.789 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.313 19.358 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.907 18.291 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.862 19.730 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.637 18.424 0.459 1.00 0.00 H new ATOM 1618 N LYS A 101 -8.445 17.260 2.224 1.00 0.00 N ATOM 1619 CA LYS A 101 -9.660 17.685 2.987 1.00 0.00 C ATOM 1620 C LYS A 101 -10.407 16.451 3.494 1.00 0.00 C ATOM 1621 O LYS A 101 -10.853 16.405 4.625 1.00 0.00 O ATOM 1622 CB LYS A 101 -10.584 18.509 2.081 1.00 0.00 C ATOM 1623 CG LYS A 101 -10.944 17.700 0.833 1.00 0.00 C ATOM 1624 CD LYS A 101 -11.586 18.623 -0.206 1.00 0.00 C ATOM 1625 CE LYS A 101 -13.077 18.783 0.101 1.00 0.00 C ATOM 1626 NZ LYS A 101 -13.498 20.181 -0.197 1.00 0.00 N ATOM 0 H LYS A 101 -8.321 16.251 2.136 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.352 18.296 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.490 18.782 2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.092 19.438 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.050 17.234 0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.631 16.895 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.096 19.596 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.453 18.210 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.660 18.081 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.271 18.549 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.511 20.290 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.950 20.841 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.327 20.388 -1.202 1.00 0.00 H new ATOM 1640 N GLY A 102 -10.543 15.453 2.662 1.00 0.00 N ATOM 1641 CA GLY A 102 -11.259 14.213 3.081 1.00 0.00 C ATOM 1642 C GLY A 102 -12.753 14.500 3.219 1.00 0.00 C ATOM 1643 O GLY A 102 -13.153 15.526 3.737 1.00 0.00 O ATOM 0 H GLY A 102 -10.187 15.443 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.097 13.423 2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.859 13.854 4.029 1.00 0.00 H new ATOM 1647 N GLU A 103 -13.574 13.590 2.771 1.00 0.00 N ATOM 1648 CA GLU A 103 -15.048 13.779 2.881 1.00 0.00 C ATOM 1649 C GLU A 103 -15.606 12.715 3.823 1.00 0.00 C ATOM 1650 O GLU A 103 -16.460 12.984 4.647 1.00 0.00 O ATOM 1651 CB GLU A 103 -15.701 13.654 1.499 1.00 0.00 C ATOM 1652 CG GLU A 103 -15.301 12.329 0.844 1.00 0.00 C ATOM 1653 CD GLU A 103 -15.943 12.234 -0.540 1.00 0.00 C ATOM 1654 OE1 GLU A 103 -17.154 12.350 -0.619 1.00 0.00 O ATOM 1655 OE2 GLU A 103 -15.212 12.046 -1.497 1.00 0.00 O ATOM 0 H GLU A 103 -13.284 12.717 2.330 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.265 14.772 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.785 13.708 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.395 14.488 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.216 12.265 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.622 11.492 1.464 1.00 0.00 H new ATOM 1662 N GLY A 104 -15.109 11.512 3.715 1.00 0.00 N ATOM 1663 CA GLY A 104 -15.571 10.415 4.603 1.00 0.00 C ATOM 1664 C GLY A 104 -14.348 9.580 5.015 1.00 0.00 C ATOM 1665 O GLY A 104 -13.709 9.895 6.000 1.00 0.00 O ATOM 0 H GLY A 104 -14.394 11.243 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -16.067 10.823 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.301 9.791 4.087 1.00 0.00 H new ATOM 1669 N PRO A 105 -14.030 8.547 4.253 1.00 0.00 N ATOM 1670 CA PRO A 105 -12.867 7.699 4.550 1.00 0.00 C ATOM 1671 C PRO A 105 -11.591 8.345 3.991 1.00 0.00 C ATOM 1672 O PRO A 105 -11.558 9.536 3.741 1.00 0.00 O ATOM 1673 CB PRO A 105 -13.188 6.387 3.837 1.00 0.00 C ATOM 1674 CG PRO A 105 -14.208 6.722 2.721 1.00 0.00 C ATOM 1675 CD PRO A 105 -14.784 8.115 3.050 1.00 0.00 C ATOM 0 HA PRO A 105 -12.691 7.556 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.285 5.945 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -13.603 5.660 4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -13.725 6.724 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.000 5.974 2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -14.644 8.809 2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.855 8.066 3.248 1.00 0.00 H new ATOM 1683 N LYS A 106 -10.540 7.580 3.806 1.00 0.00 N ATOM 1684 CA LYS A 106 -9.273 8.163 3.282 1.00 0.00 C ATOM 1685 C LYS A 106 -8.315 7.049 2.856 1.00 0.00 C ATOM 1686 O LYS A 106 -8.556 5.881 3.097 1.00 0.00 O ATOM 1687 CB LYS A 106 -8.631 8.987 4.392 1.00 0.00 C ATOM 1688 CG LYS A 106 -8.166 10.340 3.842 1.00 0.00 C ATOM 1689 CD LYS A 106 -8.411 11.430 4.888 1.00 0.00 C ATOM 1690 CE LYS A 106 -7.517 11.182 6.105 1.00 0.00 C ATOM 1691 NZ LYS A 106 -7.165 12.485 6.737 1.00 0.00 N ATOM 0 H LYS A 106 -10.510 6.578 3.997 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.486 8.789 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.345 9.141 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.784 8.446 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.107 10.296 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.704 10.575 2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.200 12.411 4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.459 11.432 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.032 10.544 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.611 10.656 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.557 12.317 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.658 13.078 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.034 12.970 7.039 1.00 0.00 H new ATOM 1705 N THR A 107 -7.224 7.413 2.233 1.00 0.00 N ATOM 1706 CA THR A 107 -6.232 6.402 1.786 1.00 0.00 C ATOM 1707 C THR A 107 -5.007 6.454 2.699 1.00 0.00 C ATOM 1708 O THR A 107 -4.815 7.398 3.438 1.00 0.00 O ATOM 1709 CB THR A 107 -5.811 6.729 0.348 1.00 0.00 C ATOM 1710 OG1 THR A 107 -5.780 8.139 0.164 1.00 0.00 O ATOM 1711 CG2 THR A 107 -6.807 6.126 -0.636 1.00 0.00 C ATOM 0 H THR A 107 -6.980 8.379 2.015 1.00 0.00 H new ATOM 0 HA THR A 107 -6.670 5.405 1.828 1.00 0.00 H new ATOM 0 HB THR A 107 -4.820 6.311 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.509 8.343 -0.755 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.501 6.363 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.835 5.044 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.798 6.539 -0.450 1.00 0.00 H new ATOM 1719 N SER A 108 -4.178 5.440 2.654 1.00 0.00 N ATOM 1720 CA SER A 108 -2.951 5.410 3.514 1.00 0.00 C ATOM 1721 C SER A 108 -2.297 4.031 3.389 1.00 0.00 C ATOM 1722 O SER A 108 -2.881 3.120 2.835 1.00 0.00 O ATOM 1723 CB SER A 108 -3.332 5.642 4.981 1.00 0.00 C ATOM 1724 OG SER A 108 -4.600 5.053 5.236 1.00 0.00 O ATOM 0 H SER A 108 -4.299 4.624 2.054 1.00 0.00 H new ATOM 0 HA SER A 108 -2.264 6.192 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.578 5.208 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.365 6.710 5.196 1.00 0.00 H new ATOM 0 HG SER A 108 -4.846 5.199 6.173 1.00 0.00 H new ATOM 1730 N TRP A 109 -1.117 3.853 3.935 1.00 0.00 N ATOM 1731 CA TRP A 109 -0.475 2.504 3.886 1.00 0.00 C ATOM 1732 C TRP A 109 0.619 2.415 4.917 1.00 0.00 C ATOM 1733 O TRP A 109 1.337 3.364 5.168 1.00 0.00 O ATOM 1734 CB TRP A 109 0.066 2.128 2.488 1.00 0.00 C ATOM 1735 CG TRP A 109 1.242 2.929 2.008 1.00 0.00 C ATOM 1736 CD1 TRP A 109 1.205 3.717 0.912 1.00 0.00 C ATOM 1737 CD2 TRP A 109 2.630 2.977 2.499 1.00 0.00 C ATOM 1738 NE1 TRP A 109 2.459 4.255 0.694 1.00 0.00 N ATOM 1739 CE2 TRP A 109 3.371 3.838 1.642 1.00 0.00 C ATOM 1740 CE3 TRP A 109 3.320 2.385 3.587 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 4.729 4.093 1.852 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 4.682 2.649 3.794 1.00 0.00 C ATOM 1743 CH2 TRP A 109 5.380 3.498 2.929 1.00 0.00 C ATOM 0 H TRP A 109 -0.576 4.577 4.408 1.00 0.00 H new ATOM 0 HA TRP A 109 -1.257 1.779 4.112 1.00 0.00 H new ATOM 0 HB2 TRP A 109 0.347 1.075 2.499 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.743 2.235 1.765 1.00 0.00 H new ATOM 0 HD1 TRP A 109 0.333 3.898 0.302 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.684 4.885 -0.076 1.00 0.00 H new ATOM 0 HE3 TRP A 109 2.793 1.726 4.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 5.269 4.747 1.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 5.196 2.193 4.628 1.00 0.00 H new ATOM 0 HH2 TRP A 109 6.429 3.693 3.097 1.00 0.00 H new ATOM 1754 N THR A 110 0.742 1.268 5.531 1.00 0.00 N ATOM 1755 CA THR A 110 1.793 1.093 6.565 1.00 0.00 C ATOM 1756 C THR A 110 2.586 -0.177 6.299 1.00 0.00 C ATOM 1757 O THR A 110 2.104 -1.278 6.466 1.00 0.00 O ATOM 1758 CB THR A 110 1.163 1.018 7.949 1.00 0.00 C ATOM 1759 OG1 THR A 110 0.489 -0.224 8.099 1.00 0.00 O ATOM 1760 CG2 THR A 110 0.173 2.168 8.130 1.00 0.00 C ATOM 0 H THR A 110 0.159 0.449 5.359 1.00 0.00 H new ATOM 0 HA THR A 110 2.464 1.951 6.523 1.00 0.00 H new ATOM 0 HB THR A 110 1.944 1.098 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.083 -0.954 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.275 2.110 9.122 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.696 3.118 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.609 2.097 7.374 1.00 0.00 H new ATOM 1768 N ARG A 111 3.815 -0.013 5.918 1.00 0.00 N ATOM 1769 CA ARG A 111 4.695 -1.189 5.655 1.00 0.00 C ATOM 1770 C ARG A 111 5.307 -1.604 6.982 1.00 0.00 C ATOM 1771 O ARG A 111 5.840 -0.784 7.681 1.00 0.00 O ATOM 1772 CB ARG A 111 5.797 -0.784 4.666 1.00 0.00 C ATOM 1773 CG ARG A 111 5.234 -0.772 3.244 1.00 0.00 C ATOM 1774 CD ARG A 111 6.325 -0.330 2.266 1.00 0.00 C ATOM 1775 NE ARG A 111 5.899 -0.642 0.872 1.00 0.00 N ATOM 1776 CZ ARG A 111 4.853 -0.052 0.359 1.00 0.00 C ATOM 1777 NH1 ARG A 111 4.660 1.223 0.558 1.00 0.00 N ATOM 1778 NH2 ARG A 111 4.000 -0.738 -0.352 1.00 0.00 N ATOM 0 H ARG A 111 4.258 0.894 5.774 1.00 0.00 H new ATOM 0 HA ARG A 111 4.131 -2.016 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.185 0.202 4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.632 -1.482 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.872 -1.765 2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.382 -0.095 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.510 0.739 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.261 -0.840 2.494 1.00 0.00 H new ATOM 0 HE ARG A 111 6.425 -1.317 0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.326 1.759 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.843 1.684 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.150 -1.735 -0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.183 -0.277 -0.753 1.00 0.00 H new ATOM 1792 N GLU A 112 5.227 -2.855 7.354 1.00 0.00 N ATOM 1793 CA GLU A 112 5.803 -3.262 8.669 1.00 0.00 C ATOM 1794 C GLU A 112 6.688 -4.491 8.498 1.00 0.00 C ATOM 1795 O GLU A 112 6.467 -5.311 7.637 1.00 0.00 O ATOM 1796 CB GLU A 112 4.662 -3.559 9.649 1.00 0.00 C ATOM 1797 CG GLU A 112 5.227 -3.878 11.039 1.00 0.00 C ATOM 1798 CD GLU A 112 5.170 -5.388 11.286 1.00 0.00 C ATOM 1799 OE1 GLU A 112 5.349 -6.131 10.336 1.00 0.00 O ATOM 1800 OE2 GLU A 112 4.947 -5.773 12.422 1.00 0.00 O ATOM 0 H GLU A 112 4.794 -3.603 6.812 1.00 0.00 H new ATOM 0 HA GLU A 112 6.415 -2.451 9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.992 -2.701 9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 112 4.071 -4.400 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.256 -3.526 11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.655 -3.353 11.804 1.00 0.00 H new ATOM 1807 N LEU A 113 7.699 -4.601 9.313 1.00 0.00 N ATOM 1808 CA LEU A 113 8.636 -5.754 9.229 1.00 0.00 C ATOM 1809 C LEU A 113 8.376 -6.686 10.416 1.00 0.00 C ATOM 1810 O LEU A 113 7.747 -6.297 11.382 1.00 0.00 O ATOM 1811 CB LEU A 113 10.065 -5.203 9.299 1.00 0.00 C ATOM 1812 CG LEU A 113 10.578 -4.762 7.919 1.00 0.00 C ATOM 1813 CD1 LEU A 113 10.983 -5.984 7.107 1.00 0.00 C ATOM 1814 CD2 LEU A 113 9.510 -3.970 7.161 1.00 0.00 C ATOM 0 H LEU A 113 7.919 -3.928 10.047 1.00 0.00 H new ATOM 0 HA LEU A 113 8.496 -6.310 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.094 -4.356 9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.729 -5.966 9.706 1.00 0.00 H new ATOM 0 HG LEU A 113 11.443 -4.115 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.346 -5.667 6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.773 -6.523 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.120 -6.638 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.901 -3.671 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.626 -4.592 7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.242 -3.082 7.733 1.00 0.00 H new ATOM 1873 N GLU A 118 9.690 -11.033 7.488 1.00 0.00 N ATOM 1874 CA GLU A 118 8.208 -11.005 7.294 1.00 0.00 C ATOM 1875 C GLU A 118 7.756 -9.548 7.185 1.00 0.00 C ATOM 1876 O GLU A 118 7.719 -8.826 8.163 1.00 0.00 O ATOM 1877 CB GLU A 118 7.518 -11.676 8.483 1.00 0.00 C ATOM 1878 CG GLU A 118 7.223 -13.139 8.146 1.00 0.00 C ATOM 1879 CD GLU A 118 8.530 -13.934 8.135 1.00 0.00 C ATOM 1880 OE1 GLU A 118 9.222 -13.884 7.132 1.00 0.00 O ATOM 1881 OE2 GLU A 118 8.817 -14.579 9.131 1.00 0.00 O ATOM 0 HA GLU A 118 7.942 -11.544 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.154 -11.617 9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.592 -11.153 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.535 -13.560 8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.735 -13.208 7.174 1.00 0.00 H new ATOM 1888 N LEU A 119 7.436 -9.109 5.995 1.00 0.00 N ATOM 1889 CA LEU A 119 7.012 -7.692 5.800 1.00 0.00 C ATOM 1890 C LEU A 119 5.505 -7.617 5.519 1.00 0.00 C ATOM 1891 O LEU A 119 5.063 -7.891 4.424 1.00 0.00 O ATOM 1892 CB LEU A 119 7.781 -7.110 4.610 1.00 0.00 C ATOM 1893 CG LEU A 119 7.693 -5.582 4.625 1.00 0.00 C ATOM 1894 CD1 LEU A 119 9.018 -4.980 4.156 1.00 0.00 C ATOM 1895 CD2 LEU A 119 6.576 -5.124 3.690 1.00 0.00 C ATOM 0 H LEU A 119 7.451 -9.675 5.146 1.00 0.00 H new ATOM 0 HA LEU A 119 7.226 -7.123 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.824 -7.423 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.371 -7.497 3.677 1.00 0.00 H new ATOM 0 HG LEU A 119 7.482 -5.249 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.948 -3.892 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.819 -5.300 4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.232 -5.318 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 119 6.515 -4.036 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.788 -5.464 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.627 -5.544 4.023 1.00 0.00 H new ATOM 1907 N ILE A 120 4.715 -7.228 6.492 1.00 0.00 N ATOM 1908 CA ILE A 120 3.238 -7.118 6.258 1.00 0.00 C ATOM 1909 C ILE A 120 2.915 -5.680 5.848 1.00 0.00 C ATOM 1910 O ILE A 120 3.054 -4.759 6.621 1.00 0.00 O ATOM 1911 CB ILE A 120 2.478 -7.516 7.528 1.00 0.00 C ATOM 1912 CG1 ILE A 120 2.808 -6.554 8.675 1.00 0.00 C ATOM 1913 CG2 ILE A 120 2.901 -8.926 7.922 1.00 0.00 C ATOM 1914 CD1 ILE A 120 1.684 -5.523 8.832 1.00 0.00 C ATOM 0 H ILE A 120 5.026 -6.983 7.432 1.00 0.00 H new ATOM 0 HA ILE A 120 2.929 -7.793 5.460 1.00 0.00 H new ATOM 0 HB ILE A 120 1.406 -7.475 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.934 -7.111 9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.752 -6.048 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.370 -9.226 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 120 2.662 -9.617 7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.975 -8.945 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.926 -4.843 9.649 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.578 -4.956 7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 120 0.748 -6.036 9.052 1.00 0.00 H new ATOM 1926 N LEU A 121 2.526 -5.488 4.619 1.00 0.00 N ATOM 1927 CA LEU A 121 2.244 -4.115 4.120 1.00 0.00 C ATOM 1928 C LEU A 121 0.732 -3.907 3.905 1.00 0.00 C ATOM 1929 O LEU A 121 0.092 -4.594 3.131 1.00 0.00 O ATOM 1930 CB LEU A 121 3.052 -3.931 2.813 1.00 0.00 C ATOM 1931 CG LEU A 121 2.666 -2.663 2.024 1.00 0.00 C ATOM 1932 CD1 LEU A 121 1.440 -2.955 1.163 1.00 0.00 C ATOM 1933 CD2 LEU A 121 2.354 -1.495 2.957 1.00 0.00 C ATOM 0 H LEU A 121 2.390 -6.231 3.933 1.00 0.00 H new ATOM 0 HA LEU A 121 2.547 -3.363 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.114 -3.890 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.903 -4.804 2.177 1.00 0.00 H new ATOM 0 HG LEU A 121 3.514 -2.385 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.166 -2.060 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.668 -3.761 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 121 0.609 -3.253 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.086 -0.619 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 121 1.522 -1.762 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.231 -1.269 3.563 1.00 0.00 H new ATOM 1945 N THR A 122 0.177 -2.942 4.600 1.00 0.00 N ATOM 1946 CA THR A 122 -1.278 -2.618 4.485 1.00 0.00 C ATOM 1947 C THR A 122 -1.443 -1.354 3.641 1.00 0.00 C ATOM 1948 O THR A 122 -0.536 -0.567 3.518 1.00 0.00 O ATOM 1949 CB THR A 122 -1.831 -2.324 5.874 1.00 0.00 C ATOM 1950 OG1 THR A 122 -1.533 -3.403 6.748 1.00 0.00 O ATOM 1951 CG2 THR A 122 -3.342 -2.120 5.797 1.00 0.00 C ATOM 0 H THR A 122 0.686 -2.352 5.258 1.00 0.00 H new ATOM 0 HA THR A 122 -1.803 -3.457 4.029 1.00 0.00 H new ATOM 0 HB THR A 122 -1.368 -1.415 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.889 -3.209 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 122 -3.732 -1.910 6.793 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.563 -1.281 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 122 -3.812 -3.023 5.406 1.00 0.00 H new ATOM 1959 N MET A 123 -2.602 -1.135 3.092 1.00 0.00 N ATOM 1960 CA MET A 123 -2.824 0.103 2.285 1.00 0.00 C ATOM 1961 C MET A 123 -4.316 0.395 2.207 1.00 0.00 C ATOM 1962 O MET A 123 -5.021 -0.132 1.368 1.00 0.00 O ATOM 1963 CB MET A 123 -2.255 -0.073 0.885 1.00 0.00 C ATOM 1964 CG MET A 123 -2.330 1.268 0.139 1.00 0.00 C ATOM 1965 SD MET A 123 -3.736 1.268 -1.001 1.00 0.00 S ATOM 1966 CE MET A 123 -3.231 -0.176 -1.959 1.00 0.00 C ATOM 0 H MET A 123 -3.407 -1.757 3.165 1.00 0.00 H new ATOM 0 HA MET A 123 -2.315 0.939 2.765 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.222 -0.416 0.940 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.816 -0.836 0.345 1.00 0.00 H new ATOM 0 HG2 MET A 123 -2.431 2.085 0.853 1.00 0.00 H new ATOM 0 HG3 MET A 123 -1.405 1.439 -0.412 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.468 -0.016 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 123 -2.157 -0.329 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.762 -1.056 -1.597 1.00 0.00 H new ATOM 1976 N THR A 124 -4.798 1.224 3.090 1.00 0.00 N ATOM 1977 CA THR A 124 -6.256 1.548 3.099 1.00 0.00 C ATOM 1978 C THR A 124 -6.603 2.442 1.923 1.00 0.00 C ATOM 1979 O THR A 124 -5.739 2.970 1.247 1.00 0.00 O ATOM 1980 CB THR A 124 -6.692 2.233 4.420 1.00 0.00 C ATOM 1981 OG1 THR A 124 -6.686 3.650 4.273 1.00 0.00 O ATOM 1982 CG2 THR A 124 -5.775 1.860 5.591 1.00 0.00 C ATOM 0 H THR A 124 -4.246 1.693 3.808 1.00 0.00 H new ATOM 0 HA THR A 124 -6.796 0.605 3.017 1.00 0.00 H new ATOM 0 HB THR A 124 -7.700 1.880 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 124 -5.885 4.020 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 124 -6.118 2.362 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 124 -5.800 0.781 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 124 -4.755 2.171 5.368 1.00 0.00 H new ATOM 1990 N ALA A 125 -7.875 2.610 1.684 1.00 0.00 N ATOM 1991 CA ALA A 125 -8.303 3.474 0.547 1.00 0.00 C ATOM 1992 C ALA A 125 -9.821 3.650 0.505 1.00 0.00 C ATOM 1993 O ALA A 125 -10.547 2.781 0.070 1.00 0.00 O ATOM 1994 CB ALA A 125 -7.838 2.853 -0.766 1.00 0.00 C ATOM 0 H ALA A 125 -8.632 2.189 2.223 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.851 4.456 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.151 3.484 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -6.751 2.768 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -8.279 1.862 -0.876 1.00 0.00 H new ATOM 2000 N ASP A 126 -10.309 4.790 0.920 1.00 0.00 N ATOM 2001 CA ASP A 126 -11.785 5.032 0.883 1.00 0.00 C ATOM 2002 C ASP A 126 -12.481 4.081 1.861 1.00 0.00 C ATOM 2003 O ASP A 126 -13.600 3.665 1.638 1.00 0.00 O ATOM 2004 CB ASP A 126 -12.318 4.792 -0.537 1.00 0.00 C ATOM 2005 CG ASP A 126 -13.063 6.034 -1.036 1.00 0.00 C ATOM 2006 OD1 ASP A 126 -12.616 7.129 -0.736 1.00 0.00 O ATOM 2007 OD2 ASP A 126 -14.066 5.868 -1.710 1.00 0.00 O ATOM 0 H ASP A 126 -9.752 5.564 1.283 1.00 0.00 H new ATOM 0 HA ASP A 126 -11.988 6.064 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -11.492 4.559 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -12.986 3.931 -0.542 1.00 0.00 H new ATOM 2012 N ASP A 127 -11.801 3.752 2.940 1.00 0.00 N ATOM 2013 CA ASP A 127 -12.337 2.837 4.014 1.00 0.00 C ATOM 2014 C ASP A 127 -11.945 1.385 3.736 1.00 0.00 C ATOM 2015 O ASP A 127 -12.200 0.514 4.547 1.00 0.00 O ATOM 2016 CB ASP A 127 -13.865 2.935 4.152 1.00 0.00 C ATOM 2017 CG ASP A 127 -14.267 2.691 5.607 1.00 0.00 C ATOM 2018 OD1 ASP A 127 -14.042 3.573 6.419 1.00 0.00 O ATOM 2019 OD2 ASP A 127 -14.793 1.626 5.885 1.00 0.00 O ATOM 0 H ASP A 127 -10.859 4.093 3.129 1.00 0.00 H new ATOM 0 HA ASP A 127 -11.890 3.163 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.207 3.919 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -14.346 2.203 3.504 1.00 0.00 H new ATOM 2024 N VAL A 128 -11.312 1.109 2.620 1.00 0.00 N ATOM 2025 CA VAL A 128 -10.898 -0.283 2.334 1.00 0.00 C ATOM 2026 C VAL A 128 -9.534 -0.514 2.980 1.00 0.00 C ATOM 2027 O VAL A 128 -8.941 0.394 3.529 1.00 0.00 O ATOM 2028 CB VAL A 128 -10.807 -0.490 0.809 1.00 0.00 C ATOM 2029 CG1 VAL A 128 -12.092 -0.002 0.138 1.00 0.00 C ATOM 2030 CG2 VAL A 128 -9.623 0.282 0.226 1.00 0.00 C ATOM 0 H VAL A 128 -11.069 1.792 1.903 1.00 0.00 H new ATOM 0 HA VAL A 128 -11.624 -0.990 2.736 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.668 -1.555 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -12.019 -0.152 -0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -12.941 -0.564 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -12.232 1.058 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.579 0.121 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.747 1.346 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.698 -0.070 0.684 1.00 0.00 H new ATOM 2040 N VAL A 129 -9.030 -1.707 2.894 1.00 0.00 N ATOM 2041 CA VAL A 129 -7.691 -1.988 3.468 1.00 0.00 C ATOM 2042 C VAL A 129 -7.093 -3.210 2.777 1.00 0.00 C ATOM 2043 O VAL A 129 -7.639 -4.294 2.802 1.00 0.00 O ATOM 2044 CB VAL A 129 -7.809 -2.138 5.003 1.00 0.00 C ATOM 2045 CG1 VAL A 129 -6.860 -3.217 5.567 1.00 0.00 C ATOM 2046 CG2 VAL A 129 -7.449 -0.794 5.635 1.00 0.00 C ATOM 0 H VAL A 129 -9.488 -2.503 2.450 1.00 0.00 H new ATOM 0 HA VAL A 129 -7.005 -1.160 3.290 1.00 0.00 H new ATOM 0 HB VAL A 129 -8.829 -2.443 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.983 -3.281 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.097 -4.181 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.829 -2.952 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.524 -0.870 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.430 -0.524 5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -8.137 -0.028 5.277 1.00 0.00 H new ATOM 2056 N CYS A 130 -5.961 -3.013 2.165 1.00 0.00 N ATOM 2057 CA CYS A 130 -5.274 -4.130 1.456 1.00 0.00 C ATOM 2058 C CYS A 130 -4.138 -4.645 2.335 1.00 0.00 C ATOM 2059 O CYS A 130 -3.044 -4.114 2.322 1.00 0.00 O ATOM 2060 CB CYS A 130 -4.706 -3.623 0.129 1.00 0.00 C ATOM 2061 SG CYS A 130 -4.503 -5.014 -1.011 1.00 0.00 S ATOM 0 H CYS A 130 -5.476 -2.117 2.124 1.00 0.00 H new ATOM 0 HA CYS A 130 -5.982 -4.934 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -5.374 -2.879 -0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -3.747 -3.132 0.295 1.00 0.00 H new ATOM 0 HG CYS A 130 -4.227 -4.565 -2.199 1.00 0.00 H new ATOM 2067 N THR A 131 -4.397 -5.667 3.107 1.00 0.00 N ATOM 2068 CA THR A 131 -3.345 -6.221 4.007 1.00 0.00 C ATOM 2069 C THR A 131 -2.838 -7.552 3.461 1.00 0.00 C ATOM 2070 O THR A 131 -3.600 -8.478 3.253 1.00 0.00 O ATOM 2071 CB THR A 131 -3.936 -6.456 5.399 1.00 0.00 C ATOM 2072 OG1 THR A 131 -5.010 -5.552 5.618 1.00 0.00 O ATOM 2073 CG2 THR A 131 -2.857 -6.237 6.460 1.00 0.00 C ATOM 0 H THR A 131 -5.297 -6.144 3.153 1.00 0.00 H new ATOM 0 HA THR A 131 -2.521 -5.510 4.063 1.00 0.00 H new ATOM 0 HB THR A 131 -4.305 -7.480 5.466 1.00 0.00 H new ATOM 0 HG1 THR A 131 -5.831 -5.918 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 131 -3.281 -6.405 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 131 -2.036 -6.935 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 131 -2.484 -5.215 6.394 1.00 0.00 H new ATOM 2081 N ARG A 132 -1.556 -7.659 3.250 1.00 0.00 N ATOM 2082 CA ARG A 132 -0.982 -8.940 2.740 1.00 0.00 C ATOM 2083 C ARG A 132 0.441 -9.083 3.266 1.00 0.00 C ATOM 2084 O ARG A 132 1.232 -8.160 3.197 1.00 0.00 O ATOM 2085 CB ARG A 132 -0.981 -8.976 1.202 1.00 0.00 C ATOM 2086 CG ARG A 132 -0.719 -7.587 0.617 1.00 0.00 C ATOM 2087 CD ARG A 132 -0.450 -7.716 -0.882 1.00 0.00 C ATOM 2088 NE ARG A 132 -0.518 -6.370 -1.519 1.00 0.00 N ATOM 2089 CZ ARG A 132 -0.731 -6.266 -2.802 1.00 0.00 C ATOM 2090 NH1 ARG A 132 -0.003 -6.948 -3.642 1.00 0.00 N ATOM 2091 NH2 ARG A 132 -1.673 -5.478 -3.244 1.00 0.00 N ATOM 0 H ARG A 132 -0.878 -6.914 3.408 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.598 -9.769 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -0.217 -9.671 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -1.940 -9.350 0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -1.578 -6.938 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.134 -7.125 1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.532 -8.159 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -1.182 -8.383 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 132 -0.398 -5.531 -0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 132 0.733 -7.563 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -0.170 -6.866 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -2.242 -4.944 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -1.840 -5.396 -4.247 1.00 0.00 H new ATOM 2105 N VAL A 133 0.767 -10.230 3.802 1.00 0.00 N ATOM 2106 CA VAL A 133 2.135 -10.436 4.347 1.00 0.00 C ATOM 2107 C VAL A 133 3.107 -10.657 3.194 1.00 0.00 C ATOM 2108 O VAL A 133 2.727 -11.057 2.117 1.00 0.00 O ATOM 2109 CB VAL A 133 2.135 -11.656 5.285 1.00 0.00 C ATOM 2110 CG1 VAL A 133 3.565 -11.986 5.727 1.00 0.00 C ATOM 2111 CG2 VAL A 133 1.281 -11.346 6.517 1.00 0.00 C ATOM 0 H VAL A 133 0.142 -11.032 3.884 1.00 0.00 H new ATOM 0 HA VAL A 133 2.445 -9.557 4.912 1.00 0.00 H new ATOM 0 HB VAL A 133 1.723 -12.513 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 133 3.550 -12.851 6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 133 4.174 -12.210 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 133 3.989 -11.132 6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.278 -12.208 7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 133 1.696 -10.484 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 133 0.260 -11.125 6.206 1.00 0.00 H new ATOM 2121 N TYR A 134 4.360 -10.406 3.432 1.00 0.00 N ATOM 2122 CA TYR A 134 5.383 -10.612 2.379 1.00 0.00 C ATOM 2123 C TYR A 134 6.583 -11.321 2.984 1.00 0.00 C ATOM 2124 O TYR A 134 6.673 -11.508 4.183 1.00 0.00 O ATOM 2125 CB TYR A 134 5.903 -9.279 1.867 1.00 0.00 C ATOM 2126 CG TYR A 134 4.874 -8.571 1.041 1.00 0.00 C ATOM 2127 CD1 TYR A 134 3.773 -7.982 1.661 1.00 0.00 C ATOM 2128 CD2 TYR A 134 5.039 -8.474 -0.342 1.00 0.00 C ATOM 2129 CE1 TYR A 134 2.832 -7.296 0.899 1.00 0.00 C ATOM 2130 CE2 TYR A 134 4.096 -7.792 -1.110 1.00 0.00 C ATOM 2131 CZ TYR A 134 2.989 -7.198 -0.490 1.00 0.00 C ATOM 2132 OH TYR A 134 2.057 -6.516 -1.245 1.00 0.00 O ATOM 0 H TYR A 134 4.722 -10.063 4.322 1.00 0.00 H new ATOM 0 HA TYR A 134 4.922 -11.185 1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 134 6.190 -8.651 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 134 6.801 -9.442 1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 134 3.650 -8.058 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 134 5.897 -8.927 -0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 134 1.979 -6.838 1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 134 4.219 -7.722 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 134 2.318 -6.543 -2.189 1.00 0.00 H new ATOM 2142 N VAL A 135 7.534 -11.649 2.162 1.00 0.00 N ATOM 2143 CA VAL A 135 8.779 -12.270 2.657 1.00 0.00 C ATOM 2144 C VAL A 135 9.907 -11.774 1.767 1.00 0.00 C ATOM 2145 O VAL A 135 9.655 -11.269 0.700 1.00 0.00 O ATOM 2146 CB VAL A 135 8.699 -13.777 2.604 1.00 0.00 C ATOM 2147 CG1 VAL A 135 9.970 -14.337 3.219 1.00 0.00 C ATOM 2148 CG2 VAL A 135 7.500 -14.242 3.419 1.00 0.00 C ATOM 0 H VAL A 135 7.497 -11.509 1.152 1.00 0.00 H new ATOM 0 HA VAL A 135 8.947 -11.996 3.699 1.00 0.00 H new ATOM 0 HB VAL A 135 8.591 -14.119 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 135 9.937 -15.426 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 135 10.833 -13.986 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 135 10.053 -14.001 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 135 7.437 -15.330 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.615 -13.918 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 135 6.589 -13.812 3.003 1.00 0.00 H new ATOM 2158 N ARG A 136 11.136 -11.887 2.178 1.00 0.00 N ATOM 2159 CA ARG A 136 12.225 -11.377 1.294 1.00 0.00 C ATOM 2160 C ARG A 136 12.585 -12.435 0.258 1.00 0.00 C ATOM 2161 O ARG A 136 13.036 -13.518 0.577 1.00 0.00 O ATOM 2162 CB ARG A 136 13.469 -10.984 2.094 1.00 0.00 C ATOM 2163 CG ARG A 136 13.545 -9.457 2.205 1.00 0.00 C ATOM 2164 CD ARG A 136 14.038 -9.064 3.599 1.00 0.00 C ATOM 2165 NE ARG A 136 15.386 -9.653 3.834 1.00 0.00 N ATOM 2166 CZ ARG A 136 16.008 -9.433 4.961 1.00 0.00 C ATOM 2167 NH1 ARG A 136 15.611 -10.027 6.052 1.00 0.00 N ATOM 2168 NH2 ARG A 136 17.027 -8.618 4.995 1.00 0.00 N ATOM 0 H ARG A 136 11.433 -12.298 3.063 1.00 0.00 H new ATOM 0 HA ARG A 136 11.858 -10.481 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 136 13.431 -11.430 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 136 14.365 -11.369 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 136 14.219 -9.061 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 136 12.564 -9.020 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.083 -7.979 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.338 -9.417 4.357 1.00 0.00 H new ATOM 0 HE ARG A 136 15.823 -10.228 3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 136 14.815 -10.664 6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 136 16.097 -9.855 6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 136 17.337 -8.153 4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 136 17.513 -8.446 5.875 1.00 0.00 H new ATOM 2182 N GLU A 137 12.380 -12.112 -0.987 1.00 0.00 N ATOM 2183 CA GLU A 137 12.690 -13.063 -2.093 1.00 0.00 C ATOM 2184 C GLU A 137 14.162 -13.486 -2.026 1.00 0.00 C ATOM 2185 O GLU A 137 14.995 -12.624 -1.799 1.00 0.00 O ATOM 2186 CB GLU A 137 12.419 -12.382 -3.436 1.00 0.00 C ATOM 2187 CG GLU A 137 12.232 -13.446 -4.520 1.00 0.00 C ATOM 2188 CD GLU A 137 12.762 -12.914 -5.852 1.00 0.00 C ATOM 2189 OE1 GLU A 137 12.563 -11.741 -6.121 1.00 0.00 O ATOM 2190 OE2 GLU A 137 13.359 -13.689 -6.582 1.00 0.00 O ATOM 2191 OXT GLU A 137 14.428 -14.663 -2.204 1.00 0.00 O ATOM 0 H GLU A 137 12.004 -11.214 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 137 12.060 -13.947 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 137 11.528 -11.758 -3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 137 13.249 -11.725 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 137 12.761 -14.358 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.177 -13.704 -4.613 1.00 0.00 H new