USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 768 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 91 LYS NZ :NH3+ 173:sc= -0.205 (180deg=-0.337) USER MOD Set 1.2: A 105 GLN : amide:sc= 0 K(o=-0.2,f=-4.8!) USER MOD Set 2.1: A 28 SER OG : rot -150:sc= -0.393! USER MOD Set 2.2: A 66 MET CE :methyl -161:sc= -1.29 (180deg=-2.47) USER MOD Set 2.3: A 76 GLN : amide:sc= 0.617 K(o=-1.1,f=-4.5!) USER MOD Set 3.1: A 20 ASN : amide:sc= -5.31 K(o=-7.6,f=-11!) USER MOD Set 3.2: A 21 ASN : amide:sc= -2.31 K(o=-7.6,f=-7) USER MOD Single : A 1 SER N :NH3+ -112:sc= 0.0572 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.107 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.072) USER MOD Single : A 7 SER OG : rot 150:sc= -0.951 USER MOD Single : A 8 HIS : no HD1:sc= -0.071 X(o=-0.071,f=-0.38) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 31 SER OG : rot 180:sc= -0.233 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 39 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.9!) USER MOD Single : A 41 THR OG1 : rot -80:sc= 0.0176 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 46 SER OG : rot 110:sc= -0.417 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -109:sc= 0.945 USER MOD Single : A 56 GLN : amide:sc= -7.13! C(o=-7.1!,f=-7.7!) USER MOD Single : A 64 GLN : amide:sc= -3.31! C(o=-3.3!,f=-4.6!) USER MOD Single : A 69 GLN : amide:sc=-0.00461 X(o=-0.0046,f=0.23) USER MOD Single : A 72 SER OG : rot 180:sc= -0.17 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.095 USER MOD Single : A 86 MET CE :methyl 172:sc= 0 (180deg=-0.143) USER MOD Single : A 87 HIS : no HE2:sc= -0.393 K(o=-0.39,f=-1.3) USER MOD Single : A 89 MET CE :methyl -147:sc= -7.19! (180deg=-10.1!) USER MOD Single : A 90 GLN : amide:sc= -0.857 K(o=-0.86,f=-2.8!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc=-0.00867 X(o=-0.0087,f=-0.34) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.275 -26.578 -6.278 1.00 0.00 N ATOM 2 CA SER A 1 12.521 -25.733 -7.240 1.00 0.00 C ATOM 3 C SER A 1 11.062 -25.590 -6.821 1.00 0.00 C ATOM 4 O SER A 1 10.549 -26.393 -6.042 1.00 0.00 O ATOM 5 CB SER A 1 12.610 -26.375 -8.625 1.00 0.00 C ATOM 6 OG SER A 1 11.606 -25.868 -9.488 1.00 0.00 O ATOM 0 H1 SER A 1 13.967 -25.992 -5.769 1.00 0.00 H new ATOM 0 H2 SER A 1 12.614 -27.003 -5.597 1.00 0.00 H new ATOM 0 H3 SER A 1 13.772 -27.332 -6.794 1.00 0.00 H new ATOM 0 HA SER A 1 12.958 -24.734 -7.258 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.593 -26.185 -9.055 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.505 -27.456 -8.535 1.00 0.00 H new ATOM 0 HG SER A 1 11.685 -26.293 -10.367 1.00 0.00 H new ATOM 14 N GLY A 2 10.398 -24.566 -7.345 1.00 0.00 N ATOM 15 CA GLY A 2 9.005 -24.339 -7.011 1.00 0.00 C ATOM 16 C GLY A 2 8.838 -23.632 -5.681 1.00 0.00 C ATOM 17 O GLY A 2 7.843 -23.831 -4.984 1.00 0.00 O ATOM 0 H GLY A 2 10.799 -23.890 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.538 -23.745 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.481 -25.294 -6.980 1.00 0.00 H new ATOM 21 N PHE A 3 9.819 -22.807 -5.327 1.00 0.00 N ATOM 22 CA PHE A 3 9.777 -22.065 -4.073 1.00 0.00 C ATOM 23 C PHE A 3 8.728 -20.960 -4.133 1.00 0.00 C ATOM 24 O PHE A 3 8.546 -20.319 -5.168 1.00 0.00 O ATOM 25 CB PHE A 3 11.150 -21.464 -3.760 1.00 0.00 C ATOM 26 CG PHE A 3 11.815 -20.830 -4.949 1.00 0.00 C ATOM 27 CD1 PHE A 3 11.308 -19.666 -5.505 1.00 0.00 C ATOM 28 CD2 PHE A 3 12.947 -21.399 -5.509 1.00 0.00 C ATOM 29 CE1 PHE A 3 11.919 -19.082 -6.599 1.00 0.00 C ATOM 30 CE2 PHE A 3 13.562 -20.820 -6.603 1.00 0.00 C ATOM 31 CZ PHE A 3 13.047 -19.659 -7.148 1.00 0.00 C ATOM 0 H PHE A 3 10.652 -22.636 -5.891 1.00 0.00 H new ATOM 0 HA PHE A 3 9.505 -22.760 -3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 3 11.039 -20.716 -2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 3 11.798 -22.247 -3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.426 -19.210 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.354 -22.306 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.514 -18.175 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 3 14.443 -21.274 -7.031 1.00 0.00 H new ATOM 0 HZ PHE A 3 13.526 -19.204 -8.002 1.00 0.00 H new ATOM 41 N LYS A 4 8.035 -20.748 -3.021 1.00 0.00 N ATOM 42 CA LYS A 4 7.002 -19.723 -2.950 1.00 0.00 C ATOM 43 C LYS A 4 7.597 -18.377 -2.553 1.00 0.00 C ATOM 44 O LYS A 4 8.783 -18.279 -2.236 1.00 0.00 O ATOM 45 CB LYS A 4 5.918 -20.130 -1.951 1.00 0.00 C ATOM 46 CG LYS A 4 4.536 -20.252 -2.572 1.00 0.00 C ATOM 47 CD LYS A 4 3.525 -19.371 -1.856 1.00 0.00 C ATOM 48 CE LYS A 4 2.307 -19.101 -2.723 1.00 0.00 C ATOM 49 NZ LYS A 4 1.808 -17.707 -2.562 1.00 0.00 N ATOM 0 H LYS A 4 8.170 -21.272 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 4 6.555 -19.624 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.190 -21.084 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.882 -19.396 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.583 -19.973 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.208 -21.291 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.213 -19.853 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.994 -18.426 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.559 -19.278 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.514 -19.803 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.977 -17.563 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.543 -17.546 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.556 -17.037 -2.834 1.00 0.00 H new ATOM 63 N HIS A 5 6.766 -17.341 -2.574 1.00 0.00 N ATOM 64 CA HIS A 5 7.207 -15.998 -2.216 1.00 0.00 C ATOM 65 C HIS A 5 6.144 -15.282 -1.390 1.00 0.00 C ATOM 66 O HIS A 5 5.223 -14.674 -1.938 1.00 0.00 O ATOM 67 CB HIS A 5 7.523 -15.190 -3.476 1.00 0.00 C ATOM 68 CG HIS A 5 6.553 -15.418 -4.592 1.00 0.00 C ATOM 69 ND1 HIS A 5 6.908 -15.357 -5.924 1.00 0.00 N ATOM 70 CD2 HIS A 5 5.230 -15.710 -4.571 1.00 0.00 C ATOM 71 CE1 HIS A 5 5.847 -15.601 -6.673 1.00 0.00 C ATOM 72 NE2 HIS A 5 4.817 -15.818 -5.876 1.00 0.00 N ATOM 0 H HIS A 5 5.782 -17.406 -2.835 1.00 0.00 H new ATOM 0 HA HIS A 5 8.112 -16.086 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.532 -14.129 -3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.526 -15.445 -3.819 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.615 -15.835 -3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.826 -15.620 -7.753 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.867 -16.032 -6.181 1.00 0.00 H new ATOM 81 N VAL A 6 6.274 -15.361 -0.070 1.00 0.00 N ATOM 82 CA VAL A 6 5.319 -14.727 0.830 1.00 0.00 C ATOM 83 C VAL A 6 5.958 -13.572 1.593 1.00 0.00 C ATOM 84 O VAL A 6 7.127 -13.637 1.974 1.00 0.00 O ATOM 85 CB VAL A 6 4.745 -15.738 1.840 1.00 0.00 C ATOM 86 CG1 VAL A 6 3.706 -15.072 2.730 1.00 0.00 C ATOM 87 CG2 VAL A 6 4.152 -16.938 1.116 1.00 0.00 C ATOM 0 H VAL A 6 7.031 -15.858 0.400 1.00 0.00 H new ATOM 0 HA VAL A 6 4.510 -14.342 0.209 1.00 0.00 H new ATOM 0 HB VAL A 6 5.557 -16.093 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.311 -15.801 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.168 -14.250 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.893 -14.687 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.751 -17.642 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.352 -16.605 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.928 -17.428 0.528 1.00 0.00 H new ATOM 97 N SER A 7 5.181 -12.518 1.816 1.00 0.00 N ATOM 98 CA SER A 7 5.663 -11.351 2.546 1.00 0.00 C ATOM 99 C SER A 7 5.375 -11.494 4.036 1.00 0.00 C ATOM 100 O SER A 7 5.126 -12.595 4.526 1.00 0.00 O ATOM 101 CB SER A 7 5.006 -10.079 2.006 1.00 0.00 C ATOM 102 OG SER A 7 4.362 -10.323 0.768 1.00 0.00 O ATOM 0 H SER A 7 4.213 -12.448 1.501 1.00 0.00 H new ATOM 0 HA SER A 7 6.741 -11.280 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.281 -9.706 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.760 -9.302 1.880 1.00 0.00 H new ATOM 0 HG SER A 7 3.595 -9.721 0.674 1.00 0.00 H new ATOM 108 N HIS A 8 5.404 -10.376 4.754 1.00 0.00 N ATOM 109 CA HIS A 8 5.138 -10.389 6.187 1.00 0.00 C ATOM 110 C HIS A 8 4.307 -9.179 6.605 1.00 0.00 C ATOM 111 O HIS A 8 3.241 -9.328 7.201 1.00 0.00 O ATOM 112 CB HIS A 8 6.451 -10.424 6.973 1.00 0.00 C ATOM 113 CG HIS A 8 6.287 -10.881 8.390 1.00 0.00 C ATOM 114 ND1 HIS A 8 5.119 -11.434 8.872 1.00 0.00 N ATOM 115 CD2 HIS A 8 7.151 -10.862 9.433 1.00 0.00 C ATOM 116 CE1 HIS A 8 5.273 -11.737 10.150 1.00 0.00 C ATOM 117 NE2 HIS A 8 6.496 -11.401 10.513 1.00 0.00 N ATOM 0 H HIS A 8 5.608 -9.454 4.369 1.00 0.00 H new ATOM 0 HA HIS A 8 4.565 -11.288 6.413 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.152 -11.086 6.465 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.894 -9.428 6.970 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.166 -10.492 9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.525 -12.184 10.788 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.891 -11.522 11.445 1.00 0.00 H new ATOM 126 N VAL A 9 4.808 -7.980 6.303 1.00 0.00 N ATOM 127 CA VAL A 9 4.112 -6.736 6.642 1.00 0.00 C ATOM 128 C VAL A 9 3.494 -6.802 8.038 1.00 0.00 C ATOM 129 O VAL A 9 2.385 -7.305 8.215 1.00 0.00 O ATOM 130 CB VAL A 9 3.004 -6.411 5.627 1.00 0.00 C ATOM 131 CG1 VAL A 9 2.677 -4.925 5.644 1.00 0.00 C ATOM 132 CG2 VAL A 9 3.391 -6.862 4.226 1.00 0.00 C ATOM 0 H VAL A 9 5.697 -7.843 5.822 1.00 0.00 H new ATOM 0 HA VAL A 9 4.865 -5.948 6.617 1.00 0.00 H new ATOM 0 HB VAL A 9 2.110 -6.962 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.891 -4.717 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.337 -4.639 6.639 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.569 -4.353 5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.588 -6.619 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.304 -6.352 3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.559 -7.939 4.224 1.00 0.00 H new ATOM 142 N GLY A 10 4.220 -6.290 9.021 1.00 0.00 N ATOM 143 CA GLY A 10 3.742 -6.319 10.391 1.00 0.00 C ATOM 144 C GLY A 10 2.837 -5.149 10.727 1.00 0.00 C ATOM 145 O GLY A 10 3.032 -4.480 11.742 1.00 0.00 O ATOM 0 H GLY A 10 5.133 -5.854 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.202 -7.250 10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.596 -6.317 11.068 1.00 0.00 H new ATOM 149 N TRP A 11 1.828 -4.919 9.894 1.00 0.00 N ATOM 150 CA TRP A 11 0.888 -3.828 10.126 1.00 0.00 C ATOM 151 C TRP A 11 -0.258 -4.301 11.024 1.00 0.00 C ATOM 152 O TRP A 11 -0.561 -5.492 11.081 1.00 0.00 O ATOM 153 CB TRP A 11 0.371 -3.258 8.784 1.00 0.00 C ATOM 154 CG TRP A 11 -1.010 -3.702 8.373 1.00 0.00 C ATOM 155 CD1 TRP A 11 -2.043 -2.891 7.995 1.00 0.00 C ATOM 156 CD2 TRP A 11 -1.517 -5.044 8.322 1.00 0.00 C ATOM 157 NE1 TRP A 11 -3.153 -3.642 7.703 1.00 0.00 N ATOM 158 CE2 TRP A 11 -2.857 -4.966 7.896 1.00 0.00 C ATOM 159 CE3 TRP A 11 -0.968 -6.303 8.584 1.00 0.00 C ATOM 160 CZ2 TRP A 11 -3.655 -6.095 7.731 1.00 0.00 C ATOM 161 CZ3 TRP A 11 -1.763 -7.423 8.425 1.00 0.00 C ATOM 162 CH2 TRP A 11 -3.092 -7.313 8.000 1.00 0.00 C ATOM 0 H TRP A 11 1.640 -5.470 9.056 1.00 0.00 H new ATOM 0 HA TRP A 11 1.403 -3.019 10.643 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.379 -2.170 8.845 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.072 -3.538 7.997 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.993 -1.814 7.935 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.053 -3.275 7.393 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.059 -6.399 8.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.681 -6.013 7.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.351 -8.400 8.632 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.685 -8.208 7.882 1.00 0.00 H new ATOM 173 N ASP A 12 -0.867 -3.373 11.750 1.00 0.00 N ATOM 174 CA ASP A 12 -1.974 -3.716 12.632 1.00 0.00 C ATOM 175 C ASP A 12 -3.306 -3.627 11.888 1.00 0.00 C ATOM 176 O ASP A 12 -3.513 -2.725 11.077 1.00 0.00 O ATOM 177 CB ASP A 12 -1.993 -2.794 13.851 1.00 0.00 C ATOM 178 CG ASP A 12 -0.607 -2.550 14.417 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.171 -1.807 13.782 1.00 0.00 O ATOM 180 OD2 ASP A 12 -0.300 -3.103 15.494 1.00 0.00 O ATOM 0 H ASP A 12 -0.616 -2.384 11.746 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.832 -4.743 12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.442 -1.840 13.574 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.625 -3.231 14.623 1.00 0.00 H new ATOM 185 N PRO A 13 -4.224 -4.575 12.147 1.00 0.00 N ATOM 186 CA PRO A 13 -5.533 -4.608 11.492 1.00 0.00 C ATOM 187 C PRO A 13 -6.514 -3.614 12.104 1.00 0.00 C ATOM 188 O PRO A 13 -7.313 -3.000 11.397 1.00 0.00 O ATOM 189 CB PRO A 13 -6.002 -6.041 11.733 1.00 0.00 C ATOM 190 CG PRO A 13 -5.363 -6.435 13.021 1.00 0.00 C ATOM 191 CD PRO A 13 -4.054 -5.691 13.096 1.00 0.00 C ATOM 0 HA PRO A 13 -5.474 -4.332 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.089 -6.097 11.796 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.696 -6.700 10.921 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.003 -6.180 13.865 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.200 -7.512 13.059 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.857 -5.330 14.106 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.216 -6.329 12.816 1.00 0.00 H new ATOM 199 N GLN A 14 -6.450 -3.464 13.422 1.00 0.00 N ATOM 200 CA GLN A 14 -7.334 -2.547 14.131 1.00 0.00 C ATOM 201 C GLN A 14 -6.708 -1.161 14.240 1.00 0.00 C ATOM 202 O GLN A 14 -7.397 -0.147 14.128 1.00 0.00 O ATOM 203 CB GLN A 14 -7.647 -3.088 15.527 1.00 0.00 C ATOM 204 CG GLN A 14 -8.774 -4.106 15.545 1.00 0.00 C ATOM 205 CD GLN A 14 -8.651 -5.091 16.691 1.00 0.00 C ATOM 206 OE1 GLN A 14 -8.732 -4.715 17.860 1.00 0.00 O ATOM 207 NE2 GLN A 14 -8.449 -6.361 16.358 1.00 0.00 N ATOM 0 H GLN A 14 -5.795 -3.966 14.021 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.261 -2.463 13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.748 -3.546 15.940 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.910 -2.256 16.180 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.728 -3.585 15.620 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.781 -4.651 14.601 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.389 -6.627 15.375 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.354 -7.070 17.085 1.00 0.00 H new ATOM 216 N ASN A 15 -5.397 -1.126 14.456 1.00 0.00 N ATOM 217 CA ASN A 15 -4.677 0.136 14.580 1.00 0.00 C ATOM 218 C ASN A 15 -4.237 0.647 13.212 1.00 0.00 C ATOM 219 O ASN A 15 -4.088 1.852 13.007 1.00 0.00 O ATOM 220 CB ASN A 15 -3.458 -0.038 15.488 1.00 0.00 C ATOM 221 CG ASN A 15 -3.826 -0.031 16.958 1.00 0.00 C ATOM 222 OD1 ASN A 15 -4.315 0.970 17.483 1.00 0.00 O ATOM 223 ND2 ASN A 15 -3.593 -1.151 17.632 1.00 0.00 N ATOM 0 H ASN A 15 -4.812 -1.956 14.549 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.351 0.870 15.023 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.959 -0.976 15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.745 0.762 15.291 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.821 -1.206 18.625 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.186 -1.957 17.157 1.00 0.00 H new ATOM 230 N GLY A 16 -4.032 -0.277 12.280 1.00 0.00 N ATOM 231 CA GLY A 16 -3.616 0.098 10.941 1.00 0.00 C ATOM 232 C GLY A 16 -2.122 -0.043 10.734 1.00 0.00 C ATOM 233 O GLY A 16 -1.482 -0.902 11.342 1.00 0.00 O ATOM 0 H GLY A 16 -4.146 -1.280 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.140 -0.523 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.910 1.130 10.749 1.00 0.00 H new ATOM 237 N PHE A 17 -1.566 0.797 9.868 1.00 0.00 N ATOM 238 CA PHE A 17 -0.140 0.763 9.576 1.00 0.00 C ATOM 239 C PHE A 17 0.652 1.533 10.628 1.00 0.00 C ATOM 240 O PHE A 17 0.175 2.531 11.169 1.00 0.00 O ATOM 241 CB PHE A 17 0.123 1.349 8.189 1.00 0.00 C ATOM 242 CG PHE A 17 0.711 0.360 7.223 1.00 0.00 C ATOM 243 CD1 PHE A 17 1.705 -0.516 7.628 1.00 0.00 C ATOM 244 CD2 PHE A 17 0.263 0.301 5.913 1.00 0.00 C ATOM 245 CE1 PHE A 17 2.245 -1.429 6.743 1.00 0.00 C ATOM 246 CE2 PHE A 17 0.800 -0.611 5.023 1.00 0.00 C ATOM 247 CZ PHE A 17 1.792 -1.477 5.439 1.00 0.00 C ATOM 0 H PHE A 17 -2.084 1.511 9.355 1.00 0.00 H new ATOM 0 HA PHE A 17 0.188 -0.276 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.813 1.731 7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.800 2.198 8.284 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.062 -0.485 8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.514 0.975 5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.021 -2.105 7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.444 -0.646 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.213 -2.190 4.746 1.00 0.00 H new ATOM 257 N ASP A 18 1.863 1.064 10.913 1.00 0.00 N ATOM 258 CA ASP A 18 2.720 1.711 11.900 1.00 0.00 C ATOM 259 C ASP A 18 3.529 2.838 11.267 1.00 0.00 C ATOM 260 O ASP A 18 4.753 2.754 11.163 1.00 0.00 O ATOM 261 CB ASP A 18 3.667 0.690 12.533 1.00 0.00 C ATOM 262 CG ASP A 18 3.867 0.929 14.016 1.00 0.00 C ATOM 263 OD1 ASP A 18 4.762 1.723 14.374 1.00 0.00 O ATOM 264 OD2 ASP A 18 3.129 0.321 14.820 1.00 0.00 O ATOM 0 H ASP A 18 2.272 0.239 10.475 1.00 0.00 H new ATOM 0 HA ASP A 18 2.079 2.135 12.673 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.270 -0.313 12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.632 0.732 12.028 1.00 0.00 H new ATOM 269 N VAL A 19 2.838 3.892 10.849 1.00 0.00 N ATOM 270 CA VAL A 19 3.492 5.038 10.228 1.00 0.00 C ATOM 271 C VAL A 19 4.656 5.531 11.077 1.00 0.00 C ATOM 272 O VAL A 19 5.632 6.072 10.557 1.00 0.00 O ATOM 273 CB VAL A 19 2.505 6.196 10.004 1.00 0.00 C ATOM 274 CG1 VAL A 19 1.698 5.964 8.736 1.00 0.00 C ATOM 275 CG2 VAL A 19 1.592 6.361 11.210 1.00 0.00 C ATOM 0 H VAL A 19 1.825 3.977 10.929 1.00 0.00 H new ATOM 0 HA VAL A 19 3.868 4.702 9.261 1.00 0.00 H new ATOM 0 HB VAL A 19 3.071 7.119 9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.004 6.791 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.372 5.901 7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.139 5.033 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.901 7.185 11.033 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.028 5.442 11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.192 6.575 12.094 1.00 0.00 H new ATOM 285 N ASN A 20 4.547 5.338 12.385 1.00 0.00 N ATOM 286 CA ASN A 20 5.592 5.760 13.308 1.00 0.00 C ATOM 287 C ASN A 20 6.835 4.883 13.171 1.00 0.00 C ATOM 288 O ASN A 20 7.929 5.279 13.573 1.00 0.00 O ATOM 289 CB ASN A 20 5.077 5.712 14.748 1.00 0.00 C ATOM 290 CG ASN A 20 4.842 4.294 15.230 1.00 0.00 C ATOM 291 OD1 ASN A 20 5.782 3.581 15.582 1.00 0.00 O ATOM 292 ND2 ASN A 20 3.582 3.877 15.249 1.00 0.00 N ATOM 0 H ASN A 20 3.745 4.892 12.831 1.00 0.00 H new ATOM 0 HA ASN A 20 5.867 6.785 13.059 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.796 6.202 15.405 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.147 6.275 14.817 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.362 2.932 15.564 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.834 4.501 14.948 1.00 0.00 H new ATOM 299 N ASN A 21 6.663 3.693 12.600 1.00 0.00 N ATOM 300 CA ASN A 21 7.777 2.769 12.420 1.00 0.00 C ATOM 301 C ASN A 21 7.835 2.236 10.990 1.00 0.00 C ATOM 302 O ASN A 21 8.446 1.199 10.731 1.00 0.00 O ATOM 303 CB ASN A 21 7.664 1.605 13.406 1.00 0.00 C ATOM 304 CG ASN A 21 7.934 2.032 14.835 1.00 0.00 C ATOM 305 OD1 ASN A 21 8.774 2.895 15.089 1.00 0.00 O ATOM 306 ND2 ASN A 21 7.220 1.428 15.778 1.00 0.00 N ATOM 0 H ASN A 21 5.767 3.348 12.256 1.00 0.00 H new ATOM 0 HA ASN A 21 8.698 3.318 12.614 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.666 1.173 13.341 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.369 0.823 13.124 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.358 1.674 16.758 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.534 0.718 15.522 1.00 0.00 H new ATOM 313 N LEU A 22 7.205 2.951 10.062 1.00 0.00 N ATOM 314 CA LEU A 22 7.212 2.553 8.658 1.00 0.00 C ATOM 315 C LEU A 22 8.593 2.748 8.045 1.00 0.00 C ATOM 316 O LEU A 22 9.416 3.497 8.569 1.00 0.00 O ATOM 317 CB LEU A 22 6.170 3.342 7.864 1.00 0.00 C ATOM 318 CG LEU A 22 4.741 2.810 7.969 1.00 0.00 C ATOM 319 CD1 LEU A 22 3.803 3.631 7.098 1.00 0.00 C ATOM 320 CD2 LEU A 22 4.692 1.344 7.568 1.00 0.00 C ATOM 0 H LEU A 22 6.685 3.807 10.256 1.00 0.00 H new ATOM 0 HA LEU A 22 6.957 1.494 8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.182 4.377 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.463 3.349 6.814 1.00 0.00 H new ATOM 0 HG LEU A 22 4.414 2.897 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.790 3.239 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.819 4.671 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.127 3.573 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.668 0.979 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.036 1.236 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.336 0.764 8.229 1.00 0.00 H new ATOM 332 N ASP A 23 8.845 2.057 6.939 1.00 0.00 N ATOM 333 CA ASP A 23 10.134 2.148 6.263 1.00 0.00 C ATOM 334 C ASP A 23 10.183 3.370 5.348 1.00 0.00 C ATOM 335 O ASP A 23 9.205 3.689 4.671 1.00 0.00 O ATOM 336 CB ASP A 23 10.398 0.879 5.452 1.00 0.00 C ATOM 337 CG ASP A 23 11.863 0.716 5.095 1.00 0.00 C ATOM 338 OD1 ASP A 23 12.693 0.622 6.024 1.00 0.00 O ATOM 339 OD2 ASP A 23 12.180 0.684 3.888 1.00 0.00 O ATOM 0 H ASP A 23 8.176 1.430 6.492 1.00 0.00 H new ATOM 0 HA ASP A 23 10.909 2.253 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.067 0.011 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.805 0.905 4.538 1.00 0.00 H new ATOM 344 N PRO A 24 11.327 4.077 5.320 1.00 0.00 N ATOM 345 CA PRO A 24 11.494 5.277 4.496 1.00 0.00 C ATOM 346 C PRO A 24 11.169 5.030 3.027 1.00 0.00 C ATOM 347 O PRO A 24 10.907 5.968 2.276 1.00 0.00 O ATOM 348 CB PRO A 24 12.975 5.627 4.662 1.00 0.00 C ATOM 349 CG PRO A 24 13.373 5.012 5.956 1.00 0.00 C ATOM 350 CD PRO A 24 12.540 3.771 6.102 1.00 0.00 C ATOM 0 HA PRO A 24 10.817 6.073 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.569 5.232 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.126 6.706 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.436 4.771 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.197 5.699 6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 24 13.057 2.893 5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.304 3.567 7.146 1.00 0.00 H new ATOM 358 N ASP A 25 11.186 3.765 2.624 1.00 0.00 N ATOM 359 CA ASP A 25 10.897 3.407 1.241 1.00 0.00 C ATOM 360 C ASP A 25 9.394 3.367 0.988 1.00 0.00 C ATOM 361 O ASP A 25 8.885 4.065 0.111 1.00 0.00 O ATOM 362 CB ASP A 25 11.515 2.048 0.905 1.00 0.00 C ATOM 363 CG ASP A 25 13.026 2.107 0.808 1.00 0.00 C ATOM 364 OD1 ASP A 25 13.552 3.145 0.355 1.00 0.00 O ATOM 365 OD2 ASP A 25 13.684 1.114 1.184 1.00 0.00 O ATOM 0 H ASP A 25 11.396 2.973 3.232 1.00 0.00 H new ATOM 0 HA ASP A 25 11.335 4.170 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.231 1.324 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.107 1.690 -0.040 1.00 0.00 H new ATOM 370 N LEU A 26 8.692 2.532 1.746 1.00 0.00 N ATOM 371 CA LEU A 26 7.248 2.395 1.595 1.00 0.00 C ATOM 372 C LEU A 26 6.522 3.636 2.101 1.00 0.00 C ATOM 373 O LEU A 26 5.528 4.064 1.516 1.00 0.00 O ATOM 374 CB LEU A 26 6.747 1.154 2.333 1.00 0.00 C ATOM 375 CG LEU A 26 6.934 1.177 3.849 1.00 0.00 C ATOM 376 CD1 LEU A 26 5.710 1.770 4.531 1.00 0.00 C ATOM 377 CD2 LEU A 26 7.209 -0.228 4.360 1.00 0.00 C ATOM 0 H LEU A 26 9.099 1.940 2.470 1.00 0.00 H new ATOM 0 HA LEU A 26 7.033 2.284 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.687 1.026 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.262 0.281 1.933 1.00 0.00 H new ATOM 0 HG LEU A 26 7.790 1.808 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.863 1.778 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.556 2.790 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.833 1.168 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.341 -0.202 5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.368 -0.876 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.115 -0.614 3.893 1.00 0.00 H new ATOM 389 N ARG A 27 7.014 4.210 3.193 1.00 0.00 N ATOM 390 CA ARG A 27 6.404 5.411 3.749 1.00 0.00 C ATOM 391 C ARG A 27 6.481 6.552 2.741 1.00 0.00 C ATOM 392 O ARG A 27 5.572 7.379 2.651 1.00 0.00 O ATOM 393 CB ARG A 27 7.085 5.808 5.062 1.00 0.00 C ATOM 394 CG ARG A 27 8.462 6.426 4.883 1.00 0.00 C ATOM 395 CD ARG A 27 8.408 7.942 4.978 1.00 0.00 C ATOM 396 NE ARG A 27 9.695 8.556 4.662 1.00 0.00 N ATOM 397 CZ ARG A 27 10.734 8.554 5.490 1.00 0.00 C ATOM 398 NH1 ARG A 27 10.637 7.973 6.678 1.00 0.00 N ATOM 399 NH2 ARG A 27 11.871 9.134 5.131 1.00 0.00 N ATOM 0 H ARG A 27 7.826 3.867 3.706 1.00 0.00 H new ATOM 0 HA ARG A 27 5.356 5.200 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.447 6.516 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.174 4.925 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.139 6.036 5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.870 6.135 3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.648 8.321 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.105 8.232 5.984 1.00 0.00 H new ATOM 0 HE ARG A 27 9.802 9.011 3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.764 7.527 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.436 7.973 7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.949 9.582 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.668 9.132 5.768 1.00 0.00 H new ATOM 413 N SER A 28 7.568 6.582 1.976 1.00 0.00 N ATOM 414 CA SER A 28 7.753 7.598 0.948 1.00 0.00 C ATOM 415 C SER A 28 6.691 7.462 -0.138 1.00 0.00 C ATOM 416 O SER A 28 6.205 8.458 -0.675 1.00 0.00 O ATOM 417 CB SER A 28 9.150 7.485 0.334 1.00 0.00 C ATOM 418 OG SER A 28 9.401 8.553 -0.562 1.00 0.00 O ATOM 0 H SER A 28 8.334 5.913 2.050 1.00 0.00 H new ATOM 0 HA SER A 28 7.651 8.579 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.900 7.486 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.244 6.535 -0.192 1.00 0.00 H new ATOM 0 HG SER A 28 10.014 8.253 -1.265 1.00 0.00 H new ATOM 424 N LEU A 29 6.332 6.219 -0.453 1.00 0.00 N ATOM 425 CA LEU A 29 5.320 5.948 -1.467 1.00 0.00 C ATOM 426 C LEU A 29 4.017 6.667 -1.121 1.00 0.00 C ATOM 427 O LEU A 29 3.521 7.480 -1.902 1.00 0.00 O ATOM 428 CB LEU A 29 5.098 4.429 -1.599 1.00 0.00 C ATOM 429 CG LEU A 29 3.699 3.980 -2.046 1.00 0.00 C ATOM 430 CD1 LEU A 29 3.368 4.545 -3.419 1.00 0.00 C ATOM 431 CD2 LEU A 29 3.605 2.461 -2.052 1.00 0.00 C ATOM 0 H LEU A 29 6.728 5.385 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 29 5.668 6.327 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.826 4.038 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.314 3.967 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 29 2.969 4.366 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.373 4.215 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.393 5.634 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.100 4.191 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.607 2.159 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.345 2.053 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.795 2.081 -1.048 1.00 0.00 H new ATOM 443 N PHE A 30 3.472 6.370 0.056 1.00 0.00 N ATOM 444 CA PHE A 30 2.235 7.000 0.504 1.00 0.00 C ATOM 445 C PHE A 30 2.320 8.515 0.349 1.00 0.00 C ATOM 446 O PHE A 30 1.350 9.168 -0.034 1.00 0.00 O ATOM 447 CB PHE A 30 1.948 6.637 1.963 1.00 0.00 C ATOM 448 CG PHE A 30 1.939 5.157 2.224 1.00 0.00 C ATOM 449 CD1 PHE A 30 1.312 4.289 1.344 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.558 4.635 3.348 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.302 2.928 1.582 1.00 0.00 C ATOM 452 CE2 PHE A 30 2.551 3.274 3.591 1.00 0.00 C ATOM 453 CZ PHE A 30 1.922 2.420 2.707 1.00 0.00 C ATOM 0 H PHE A 30 3.867 5.699 0.715 1.00 0.00 H new ATOM 0 HA PHE A 30 1.419 6.630 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.699 7.105 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.982 7.054 2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.826 4.681 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.052 5.299 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.810 2.262 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.037 2.879 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.915 1.356 2.895 1.00 0.00 H new ATOM 463 N SER A 31 3.497 9.064 0.633 1.00 0.00 N ATOM 464 CA SER A 31 3.725 10.498 0.505 1.00 0.00 C ATOM 465 C SER A 31 3.552 10.946 -0.943 1.00 0.00 C ATOM 466 O SER A 31 2.728 11.811 -1.242 1.00 0.00 O ATOM 467 CB SER A 31 5.127 10.856 1.000 1.00 0.00 C ATOM 468 OG SER A 31 5.580 9.923 1.966 1.00 0.00 O ATOM 0 H SER A 31 4.309 8.536 0.954 1.00 0.00 H new ATOM 0 HA SER A 31 2.988 11.017 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.819 10.878 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.119 11.857 1.432 1.00 0.00 H new ATOM 0 HG SER A 31 6.479 10.173 2.266 1.00 0.00 H new ATOM 474 N ARG A 32 4.332 10.349 -1.841 1.00 0.00 N ATOM 475 CA ARG A 32 4.259 10.679 -3.260 1.00 0.00 C ATOM 476 C ARG A 32 2.868 10.389 -3.812 1.00 0.00 C ATOM 477 O ARG A 32 2.440 10.991 -4.797 1.00 0.00 O ATOM 478 CB ARG A 32 5.303 9.883 -4.048 1.00 0.00 C ATOM 479 CG ARG A 32 6.682 10.522 -4.051 1.00 0.00 C ATOM 480 CD ARG A 32 7.701 9.642 -3.348 1.00 0.00 C ATOM 481 NE ARG A 32 7.911 10.047 -1.961 1.00 0.00 N ATOM 482 CZ ARG A 32 8.459 11.205 -1.608 1.00 0.00 C ATOM 483 NH1 ARG A 32 8.851 12.066 -2.537 1.00 0.00 N ATOM 484 NH2 ARG A 32 8.615 11.502 -0.325 1.00 0.00 N ATOM 0 H ARG A 32 5.022 9.634 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 32 4.464 11.744 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.377 8.881 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.961 9.771 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.000 10.700 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.636 11.493 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.365 8.605 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.648 9.685 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 32 7.621 9.406 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.732 11.840 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.271 12.954 -2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.314 10.841 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.036 12.391 -0.055 1.00 0.00 H new ATOM 498 N ALA A 33 2.166 9.461 -3.169 1.00 0.00 N ATOM 499 CA ALA A 33 0.822 9.087 -3.593 1.00 0.00 C ATOM 500 C ALA A 33 -0.222 10.067 -3.058 1.00 0.00 C ATOM 501 O ALA A 33 -1.342 10.129 -3.566 1.00 0.00 O ATOM 502 CB ALA A 33 0.502 7.671 -3.139 1.00 0.00 C ATOM 0 H ALA A 33 2.506 8.954 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 33 0.789 9.126 -4.682 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.504 7.404 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.220 6.977 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.561 7.615 -2.052 1.00 0.00 H new ATOM 508 N GLY A 34 0.149 10.833 -2.036 1.00 0.00 N ATOM 509 CA GLY A 34 -0.772 11.793 -1.456 1.00 0.00 C ATOM 510 C GLY A 34 -1.628 11.190 -0.358 1.00 0.00 C ATOM 511 O GLY A 34 -2.664 11.747 0.006 1.00 0.00 O ATOM 0 H GLY A 34 1.071 10.806 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.208 12.634 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.418 12.190 -2.239 1.00 0.00 H new ATOM 515 N ILE A 35 -1.195 10.049 0.170 1.00 0.00 N ATOM 516 CA ILE A 35 -1.929 9.370 1.230 1.00 0.00 C ATOM 517 C ILE A 35 -1.539 9.909 2.603 1.00 0.00 C ATOM 518 O ILE A 35 -0.360 9.942 2.956 1.00 0.00 O ATOM 519 CB ILE A 35 -1.678 7.851 1.195 1.00 0.00 C ATOM 520 CG1 ILE A 35 -2.051 7.284 -0.176 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.463 7.154 2.295 1.00 0.00 C ATOM 522 CD1 ILE A 35 -1.797 5.798 -0.307 1.00 0.00 C ATOM 0 H ILE A 35 -0.339 9.576 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.988 9.562 1.058 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.617 7.670 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.106 7.482 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.484 7.810 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.273 6.082 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.152 7.541 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.528 7.339 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.085 5.466 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.738 5.595 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.385 5.261 0.438 1.00 0.00 H new ATOM 534 N SER A 36 -2.537 10.329 3.374 1.00 0.00 N ATOM 535 CA SER A 36 -2.300 10.862 4.710 1.00 0.00 C ATOM 536 C SER A 36 -2.285 9.743 5.746 1.00 0.00 C ATOM 537 O SER A 36 -2.919 8.704 5.559 1.00 0.00 O ATOM 538 CB SER A 36 -3.376 11.889 5.069 1.00 0.00 C ATOM 539 OG SER A 36 -4.338 12.001 4.035 1.00 0.00 O ATOM 0 H SER A 36 -3.518 10.310 3.096 1.00 0.00 H new ATOM 0 HA SER A 36 -1.325 11.350 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.867 11.597 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.912 12.860 5.246 1.00 0.00 H new ATOM 0 HG SER A 36 -5.016 12.662 4.289 1.00 0.00 H new ATOM 545 N GLU A 37 -1.563 9.960 6.840 1.00 0.00 N ATOM 546 CA GLU A 37 -1.474 8.964 7.901 1.00 0.00 C ATOM 547 C GLU A 37 -2.864 8.514 8.337 1.00 0.00 C ATOM 548 O GLU A 37 -3.038 7.404 8.841 1.00 0.00 O ATOM 549 CB GLU A 37 -0.707 9.525 9.100 1.00 0.00 C ATOM 550 CG GLU A 37 0.733 9.045 9.175 1.00 0.00 C ATOM 551 CD GLU A 37 1.701 10.156 9.530 1.00 0.00 C ATOM 552 OE1 GLU A 37 1.425 10.898 10.497 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.735 10.286 8.841 1.00 0.00 O ATOM 0 H GLU A 37 -1.033 10.814 7.015 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.935 8.101 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.717 10.614 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.224 9.243 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.809 8.251 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.018 8.613 8.216 1.00 0.00 H new ATOM 560 N ALA A 38 -3.853 9.380 8.133 1.00 0.00 N ATOM 561 CA ALA A 38 -5.229 9.067 8.500 1.00 0.00 C ATOM 562 C ALA A 38 -5.681 7.762 7.852 1.00 0.00 C ATOM 563 O ALA A 38 -6.325 6.930 8.491 1.00 0.00 O ATOM 564 CB ALA A 38 -6.155 10.206 8.101 1.00 0.00 C ATOM 0 H ALA A 38 -3.727 10.302 7.716 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.274 8.943 9.582 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.179 9.958 8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.850 11.119 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.101 10.358 7.023 1.00 0.00 H new ATOM 570 N GLN A 39 -5.334 7.590 6.581 1.00 0.00 N ATOM 571 CA GLN A 39 -5.695 6.384 5.847 1.00 0.00 C ATOM 572 C GLN A 39 -4.770 5.229 6.215 1.00 0.00 C ATOM 573 O GLN A 39 -5.170 4.066 6.188 1.00 0.00 O ATOM 574 CB GLN A 39 -5.635 6.641 4.340 1.00 0.00 C ATOM 575 CG GLN A 39 -6.782 7.494 3.824 1.00 0.00 C ATOM 576 CD GLN A 39 -6.838 7.543 2.310 1.00 0.00 C ATOM 577 OE1 GLN A 39 -7.614 6.822 1.683 1.00 0.00 O ATOM 578 NE2 GLN A 39 -6.013 8.397 1.714 1.00 0.00 N ATOM 0 H GLN A 39 -4.803 8.271 6.038 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.714 6.112 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.692 7.132 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.639 5.685 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.724 7.099 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.680 8.507 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.386 8.976 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.006 8.474 0.697 1.00 0.00 H new ATOM 587 N LEU A 40 -3.533 5.561 6.566 1.00 0.00 N ATOM 588 CA LEU A 40 -2.550 4.553 6.943 1.00 0.00 C ATOM 589 C LEU A 40 -2.894 3.937 8.295 1.00 0.00 C ATOM 590 O LEU A 40 -2.548 2.789 8.572 1.00 0.00 O ATOM 591 CB LEU A 40 -1.152 5.173 6.993 1.00 0.00 C ATOM 592 CG LEU A 40 -0.625 5.693 5.654 1.00 0.00 C ATOM 593 CD1 LEU A 40 0.703 6.408 5.847 1.00 0.00 C ATOM 594 CD2 LEU A 40 -0.482 4.553 4.658 1.00 0.00 C ATOM 0 H LEU A 40 -3.187 6.520 6.597 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.566 3.764 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.162 5.997 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.454 4.428 7.376 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.344 6.408 5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.064 6.772 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.568 7.250 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.431 5.715 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.106 4.942 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.216 3.813 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.454 4.086 4.498 1.00 0.00 H new ATOM 606 N THR A 41 -3.580 4.709 9.131 1.00 0.00 N ATOM 607 CA THR A 41 -3.977 4.240 10.454 1.00 0.00 C ATOM 608 C THR A 41 -5.428 3.749 10.465 1.00 0.00 C ATOM 609 O THR A 41 -5.916 3.271 11.489 1.00 0.00 O ATOM 610 CB THR A 41 -3.798 5.359 11.481 1.00 0.00 C ATOM 611 OG1 THR A 41 -4.786 6.360 11.310 1.00 0.00 O ATOM 612 CG2 THR A 41 -2.443 6.030 11.402 1.00 0.00 C ATOM 0 H THR A 41 -3.873 5.662 8.916 1.00 0.00 H new ATOM 0 HA THR A 41 -3.336 3.398 10.716 1.00 0.00 H new ATOM 0 HB THR A 41 -3.891 4.877 12.454 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.529 6.950 10.571 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.381 6.814 12.157 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.661 5.292 11.580 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.311 6.468 10.412 1.00 0.00 H new ATOM 620 N ASP A 42 -6.113 3.862 9.327 1.00 0.00 N ATOM 621 CA ASP A 42 -7.500 3.420 9.226 1.00 0.00 C ATOM 622 C ASP A 42 -7.573 1.919 8.967 1.00 0.00 C ATOM 623 O ASP A 42 -6.996 1.419 8.005 1.00 0.00 O ATOM 624 CB ASP A 42 -8.214 4.177 8.104 1.00 0.00 C ATOM 625 CG ASP A 42 -9.717 4.210 8.294 1.00 0.00 C ATOM 626 OD1 ASP A 42 -10.377 3.194 7.991 1.00 0.00 O ATOM 627 OD2 ASP A 42 -10.235 5.253 8.746 1.00 0.00 O ATOM 0 H ASP A 42 -5.730 4.254 8.467 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.995 3.632 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.834 5.198 8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.982 3.708 7.148 1.00 0.00 H new ATOM 632 N ALA A 43 -8.280 1.204 9.836 1.00 0.00 N ATOM 633 CA ALA A 43 -8.419 -0.242 9.703 1.00 0.00 C ATOM 634 C ALA A 43 -8.882 -0.635 8.304 1.00 0.00 C ATOM 635 O ALA A 43 -8.468 -1.665 7.770 1.00 0.00 O ATOM 636 CB ALA A 43 -9.391 -0.775 10.744 1.00 0.00 C ATOM 0 H ALA A 43 -8.766 1.602 10.640 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.437 -0.686 9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.486 -1.855 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.019 -0.543 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.366 -0.309 10.603 1.00 0.00 H new ATOM 642 N GLU A 44 -9.763 0.174 7.724 1.00 0.00 N ATOM 643 CA GLU A 44 -10.303 -0.110 6.400 1.00 0.00 C ATOM 644 C GLU A 44 -9.265 0.130 5.309 1.00 0.00 C ATOM 645 O GLU A 44 -8.919 -0.781 4.556 1.00 0.00 O ATOM 646 CB GLU A 44 -11.535 0.757 6.140 1.00 0.00 C ATOM 647 CG GLU A 44 -12.150 0.541 4.768 1.00 0.00 C ATOM 648 CD GLU A 44 -13.554 1.103 4.663 1.00 0.00 C ATOM 649 OE1 GLU A 44 -13.786 2.219 5.175 1.00 0.00 O ATOM 650 OE2 GLU A 44 -14.421 0.426 4.072 1.00 0.00 O ATOM 0 H GLU A 44 -10.118 1.030 8.150 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.584 -1.163 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.285 0.547 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.260 1.806 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.518 1.009 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.173 -0.526 4.548 1.00 0.00 H new ATOM 657 N THR A 45 -8.779 1.363 5.221 1.00 0.00 N ATOM 658 CA THR A 45 -7.796 1.725 4.207 1.00 0.00 C ATOM 659 C THR A 45 -6.463 1.029 4.458 1.00 0.00 C ATOM 660 O THR A 45 -5.777 0.629 3.521 1.00 0.00 O ATOM 661 CB THR A 45 -7.598 3.241 4.180 1.00 0.00 C ATOM 662 OG1 THR A 45 -8.724 3.904 4.728 1.00 0.00 O ATOM 663 CG2 THR A 45 -7.375 3.788 2.787 1.00 0.00 C ATOM 0 H THR A 45 -9.049 2.128 5.839 1.00 0.00 H new ATOM 0 HA THR A 45 -8.175 1.396 3.239 1.00 0.00 H new ATOM 0 HB THR A 45 -6.704 3.428 4.774 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.577 4.873 4.703 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.242 4.869 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.484 3.332 2.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.239 3.558 2.163 1.00 0.00 H new ATOM 671 N SER A 46 -6.104 0.870 5.724 1.00 0.00 N ATOM 672 CA SER A 46 -4.853 0.210 6.072 1.00 0.00 C ATOM 673 C SER A 46 -4.806 -1.183 5.459 1.00 0.00 C ATOM 674 O SER A 46 -3.760 -1.634 4.997 1.00 0.00 O ATOM 675 CB SER A 46 -4.698 0.120 7.591 1.00 0.00 C ATOM 676 OG SER A 46 -5.658 -0.758 8.153 1.00 0.00 O ATOM 0 H SER A 46 -6.656 1.186 6.522 1.00 0.00 H new ATOM 0 HA SER A 46 -4.028 0.801 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.695 -0.228 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.807 1.112 8.030 1.00 0.00 H new ATOM 0 HG SER A 46 -5.211 -1.569 8.474 1.00 0.00 H new ATOM 682 N LYS A 47 -5.956 -1.849 5.444 1.00 0.00 N ATOM 683 CA LYS A 47 -6.067 -3.184 4.873 1.00 0.00 C ATOM 684 C LYS A 47 -5.733 -3.176 3.384 1.00 0.00 C ATOM 685 O LYS A 47 -4.873 -3.928 2.925 1.00 0.00 O ATOM 686 CB LYS A 47 -7.483 -3.724 5.087 1.00 0.00 C ATOM 687 CG LYS A 47 -7.729 -5.079 4.444 1.00 0.00 C ATOM 688 CD LYS A 47 -7.338 -6.214 5.374 1.00 0.00 C ATOM 689 CE LYS A 47 -8.360 -7.339 5.339 1.00 0.00 C ATOM 690 NZ LYS A 47 -7.763 -8.646 5.727 1.00 0.00 N ATOM 0 H LYS A 47 -6.829 -1.482 5.824 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.350 -3.832 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.674 -3.801 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.199 -3.007 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.782 -5.171 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.159 -5.153 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.360 -6.600 5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.246 -5.836 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.183 -7.102 6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.781 -7.416 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.493 -9.386 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.994 -8.885 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.384 -8.581 6.693 1.00 0.00 H new ATOM 704 N LEU A 48 -6.439 -2.342 2.628 1.00 0.00 N ATOM 705 CA LEU A 48 -6.225 -2.255 1.188 1.00 0.00 C ATOM 706 C LEU A 48 -4.846 -1.680 0.866 1.00 0.00 C ATOM 707 O LEU A 48 -4.266 -1.989 -0.175 1.00 0.00 O ATOM 708 CB LEU A 48 -7.323 -1.408 0.531 1.00 0.00 C ATOM 709 CG LEU A 48 -7.138 0.107 0.635 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.184 0.602 -0.439 1.00 0.00 C ATOM 711 CD2 LEU A 48 -8.479 0.817 0.525 1.00 0.00 C ATOM 0 H LEU A 48 -7.162 -1.719 2.987 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.272 -3.266 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.383 -1.677 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.280 -1.671 0.982 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.707 0.335 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.064 1.682 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.215 0.118 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.587 0.362 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.328 1.894 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.937 0.582 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.134 0.485 1.331 1.00 0.00 H new ATOM 723 N ILE A 49 -4.327 -0.837 1.757 1.00 0.00 N ATOM 724 CA ILE A 49 -3.022 -0.218 1.544 1.00 0.00 C ATOM 725 C ILE A 49 -1.899 -1.256 1.602 1.00 0.00 C ATOM 726 O ILE A 49 -1.215 -1.489 0.607 1.00 0.00 O ATOM 727 CB ILE A 49 -2.756 0.911 2.571 1.00 0.00 C ATOM 728 CG1 ILE A 49 -3.694 2.090 2.301 1.00 0.00 C ATOM 729 CG2 ILE A 49 -1.304 1.380 2.526 1.00 0.00 C ATOM 730 CD1 ILE A 49 -3.887 3.001 3.494 1.00 0.00 C ATOM 0 H ILE A 49 -4.787 -0.569 2.627 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.036 0.222 0.547 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.947 0.511 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.299 2.674 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.665 1.706 1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.155 2.172 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.644 0.543 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.075 1.760 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.564 3.813 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.312 2.432 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.925 3.415 3.795 1.00 0.00 H new ATOM 742 N TYR A 50 -1.698 -1.868 2.766 1.00 0.00 N ATOM 743 CA TYR A 50 -0.642 -2.864 2.910 1.00 0.00 C ATOM 744 C TYR A 50 -0.817 -3.961 1.861 1.00 0.00 C ATOM 745 O TYR A 50 0.159 -4.501 1.341 1.00 0.00 O ATOM 746 CB TYR A 50 -0.606 -3.436 4.340 1.00 0.00 C ATOM 747 CG TYR A 50 -1.442 -4.678 4.568 1.00 0.00 C ATOM 748 CD1 TYR A 50 -2.828 -4.619 4.576 1.00 0.00 C ATOM 749 CD2 TYR A 50 -0.836 -5.906 4.796 1.00 0.00 C ATOM 750 CE1 TYR A 50 -3.589 -5.753 4.792 1.00 0.00 C ATOM 751 CE2 TYR A 50 -1.586 -7.044 5.012 1.00 0.00 C ATOM 752 CZ TYR A 50 -2.964 -6.963 5.011 1.00 0.00 C ATOM 753 OH TYR A 50 -3.719 -8.094 5.225 1.00 0.00 O ATOM 0 H TYR A 50 -2.243 -1.695 3.611 1.00 0.00 H new ATOM 0 HA TYR A 50 0.322 -2.383 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.429 -3.664 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.941 -2.662 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.320 -3.672 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.242 -5.972 4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.667 -5.692 4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.098 -7.992 5.181 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.638 -8.369 6.162 1.00 0.00 H new ATOM 763 N ASP A 51 -2.072 -4.264 1.542 1.00 0.00 N ATOM 764 CA ASP A 51 -2.385 -5.259 0.525 1.00 0.00 C ATOM 765 C ASP A 51 -1.728 -4.891 -0.800 1.00 0.00 C ATOM 766 O ASP A 51 -1.282 -5.761 -1.548 1.00 0.00 O ATOM 767 CB ASP A 51 -3.900 -5.376 0.344 1.00 0.00 C ATOM 768 CG ASP A 51 -4.497 -6.499 1.168 1.00 0.00 C ATOM 769 OD1 ASP A 51 -4.194 -7.675 0.877 1.00 0.00 O ATOM 770 OD2 ASP A 51 -5.269 -6.203 2.104 1.00 0.00 O ATOM 0 H ASP A 51 -2.889 -3.833 1.975 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.994 -6.222 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.370 -4.434 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.125 -5.543 -0.709 1.00 0.00 H new ATOM 775 N PHE A 52 -1.664 -3.591 -1.080 1.00 0.00 N ATOM 776 CA PHE A 52 -1.041 -3.104 -2.305 1.00 0.00 C ATOM 777 C PHE A 52 0.443 -3.450 -2.309 1.00 0.00 C ATOM 778 O PHE A 52 1.039 -3.675 -3.361 1.00 0.00 O ATOM 779 CB PHE A 52 -1.235 -1.590 -2.436 1.00 0.00 C ATOM 780 CG PHE A 52 -0.455 -0.974 -3.562 1.00 0.00 C ATOM 781 CD1 PHE A 52 -0.951 -0.988 -4.856 1.00 0.00 C ATOM 782 CD2 PHE A 52 0.771 -0.374 -3.325 1.00 0.00 C ATOM 783 CE1 PHE A 52 -0.235 -0.423 -5.894 1.00 0.00 C ATOM 784 CE2 PHE A 52 1.490 0.196 -4.358 1.00 0.00 C ATOM 785 CZ PHE A 52 0.988 0.171 -5.644 1.00 0.00 C ATOM 0 H PHE A 52 -2.036 -2.858 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.517 -3.588 -3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.294 -1.380 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.943 -1.113 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.909 -1.446 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.169 -0.352 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.630 -0.445 -6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.444 0.661 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.550 0.615 -6.453 1.00 0.00 H new ATOM 795 N ILE A 53 1.028 -3.512 -1.119 1.00 0.00 N ATOM 796 CA ILE A 53 2.428 -3.880 -0.977 1.00 0.00 C ATOM 797 C ILE A 53 2.635 -5.325 -1.415 1.00 0.00 C ATOM 798 O ILE A 53 3.704 -5.695 -1.901 1.00 0.00 O ATOM 799 CB ILE A 53 2.908 -3.700 0.475 1.00 0.00 C ATOM 800 CG1 ILE A 53 2.690 -2.249 0.916 1.00 0.00 C ATOM 801 CG2 ILE A 53 4.372 -4.092 0.615 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.340 -1.903 2.237 1.00 0.00 C ATOM 0 H ILE A 53 0.553 -3.312 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 53 3.016 -3.220 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 53 2.325 -4.357 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.080 -1.584 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.619 -2.059 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.688 -3.956 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.498 -5.137 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.981 -3.464 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.140 -0.859 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.933 -2.542 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.416 -2.058 2.165 1.00 0.00 H new ATOM 814 N GLU A 54 1.585 -6.128 -1.278 1.00 0.00 N ATOM 815 CA GLU A 54 1.632 -7.524 -1.684 1.00 0.00 C ATOM 816 C GLU A 54 1.670 -7.639 -3.205 1.00 0.00 C ATOM 817 O GLU A 54 2.419 -8.445 -3.757 1.00 0.00 O ATOM 818 CB GLU A 54 0.422 -8.279 -1.131 1.00 0.00 C ATOM 819 CG GLU A 54 0.789 -9.532 -0.353 1.00 0.00 C ATOM 820 CD GLU A 54 -0.425 -10.249 0.204 1.00 0.00 C ATOM 821 OE1 GLU A 54 -1.436 -10.356 -0.522 1.00 0.00 O ATOM 822 OE2 GLU A 54 -0.365 -10.704 1.365 1.00 0.00 O ATOM 0 H GLU A 54 0.690 -5.833 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 54 2.541 -7.969 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.146 -7.612 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.233 -8.554 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.340 -10.211 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.456 -9.264 0.467 1.00 0.00 H new ATOM 829 N ASP A 55 0.868 -6.818 -3.880 1.00 0.00 N ATOM 830 CA ASP A 55 0.827 -6.822 -5.338 1.00 0.00 C ATOM 831 C ASP A 55 2.194 -6.454 -5.913 1.00 0.00 C ATOM 832 O ASP A 55 2.534 -6.840 -7.031 1.00 0.00 O ATOM 833 CB ASP A 55 -0.258 -5.864 -5.852 1.00 0.00 C ATOM 834 CG ASP A 55 0.142 -4.401 -5.772 1.00 0.00 C ATOM 835 OD1 ASP A 55 1.182 -4.033 -6.358 1.00 0.00 O ATOM 836 OD2 ASP A 55 -0.600 -3.619 -5.143 1.00 0.00 O ATOM 0 H ASP A 55 0.240 -6.144 -3.441 1.00 0.00 H new ATOM 0 HA ASP A 55 0.576 -7.828 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.491 -6.113 -6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.170 -6.016 -5.274 1.00 0.00 H new ATOM 841 N GLN A 56 2.978 -5.719 -5.129 1.00 0.00 N ATOM 842 CA GLN A 56 4.319 -5.320 -5.540 1.00 0.00 C ATOM 843 C GLN A 56 5.342 -6.410 -5.225 1.00 0.00 C ATOM 844 O GLN A 56 6.493 -6.332 -5.654 1.00 0.00 O ATOM 845 CB GLN A 56 4.725 -4.029 -4.826 1.00 0.00 C ATOM 846 CG GLN A 56 4.151 -2.771 -5.454 1.00 0.00 C ATOM 847 CD GLN A 56 4.002 -1.640 -4.455 1.00 0.00 C ATOM 848 OE1 GLN A 56 4.653 -0.602 -4.572 1.00 0.00 O ATOM 849 NE2 GLN A 56 3.146 -1.841 -3.462 1.00 0.00 N ATOM 0 H GLN A 56 2.706 -5.387 -4.204 1.00 0.00 H new ATOM 0 HA GLN A 56 4.302 -5.158 -6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.403 -4.084 -3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.813 -3.956 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.798 -2.448 -6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.178 -2.998 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.628 -2.718 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.006 -1.119 -2.755 1.00 0.00 H new ATOM 858 N GLY A 57 4.926 -7.415 -4.457 1.00 0.00 N ATOM 859 CA GLY A 57 5.832 -8.480 -4.076 1.00 0.00 C ATOM 860 C GLY A 57 6.100 -8.492 -2.584 1.00 0.00 C ATOM 861 O GLY A 57 7.114 -9.024 -2.131 1.00 0.00 O ATOM 0 H GLY A 57 3.978 -7.508 -4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.410 -9.439 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.774 -8.364 -4.612 1.00 0.00 H new ATOM 865 N GLY A 58 5.191 -7.892 -1.819 1.00 0.00 N ATOM 866 CA GLY A 58 5.345 -7.843 -0.379 1.00 0.00 C ATOM 867 C GLY A 58 6.202 -6.680 0.077 1.00 0.00 C ATOM 868 O GLY A 58 6.860 -6.027 -0.732 1.00 0.00 O ATOM 0 H GLY A 58 4.349 -7.438 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.362 -7.769 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.791 -8.776 -0.033 1.00 0.00 H new ATOM 872 N LEU A 59 6.196 -6.428 1.381 1.00 0.00 N ATOM 873 CA LEU A 59 6.982 -5.346 1.964 1.00 0.00 C ATOM 874 C LEU A 59 8.416 -5.370 1.442 1.00 0.00 C ATOM 875 O LEU A 59 9.026 -4.324 1.222 1.00 0.00 O ATOM 876 CB LEU A 59 6.967 -5.469 3.493 1.00 0.00 C ATOM 877 CG LEU A 59 8.054 -4.686 4.233 1.00 0.00 C ATOM 878 CD1 LEU A 59 7.938 -3.201 3.935 1.00 0.00 C ATOM 879 CD2 LEU A 59 7.963 -4.943 5.729 1.00 0.00 C ATOM 0 H LEU A 59 5.652 -6.962 2.059 1.00 0.00 H new ATOM 0 HA LEU A 59 6.538 -4.394 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.995 -5.136 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.062 -6.523 3.755 1.00 0.00 H new ATOM 0 HG LEU A 59 9.028 -5.028 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.719 -2.660 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.050 -3.035 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.961 -2.840 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.742 -4.380 6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.986 -4.627 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.096 -6.007 5.924 1.00 0.00 H new ATOM 891 N GLU A 60 8.948 -6.571 1.255 1.00 0.00 N ATOM 892 CA GLU A 60 10.313 -6.740 0.774 1.00 0.00 C ATOM 893 C GLU A 60 10.466 -6.255 -0.665 1.00 0.00 C ATOM 894 O GLU A 60 11.500 -5.699 -1.034 1.00 0.00 O ATOM 895 CB GLU A 60 10.725 -8.209 0.873 1.00 0.00 C ATOM 896 CG GLU A 60 10.890 -8.700 2.302 1.00 0.00 C ATOM 897 CD GLU A 60 12.222 -8.303 2.907 1.00 0.00 C ATOM 898 OE1 GLU A 60 12.311 -7.192 3.471 1.00 0.00 O ATOM 899 OE2 GLU A 60 13.176 -9.104 2.817 1.00 0.00 O ATOM 0 H GLU A 60 8.453 -7.445 1.430 1.00 0.00 H new ATOM 0 HA GLU A 60 10.965 -6.134 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.976 -8.822 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.664 -8.351 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.083 -8.299 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.796 -9.786 2.322 1.00 0.00 H new ATOM 906 N ALA A 61 9.441 -6.482 -1.480 1.00 0.00 N ATOM 907 CA ALA A 61 9.486 -6.094 -2.886 1.00 0.00 C ATOM 908 C ALA A 61 9.377 -4.583 -3.062 1.00 0.00 C ATOM 909 O ALA A 61 10.002 -4.010 -3.955 1.00 0.00 O ATOM 910 CB ALA A 61 8.383 -6.794 -3.661 1.00 0.00 C ATOM 0 H ALA A 61 8.571 -6.931 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 61 10.454 -6.402 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.428 -6.495 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.514 -7.873 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.414 -6.516 -3.246 1.00 0.00 H new ATOM 916 N VAL A 62 8.580 -3.940 -2.217 1.00 0.00 N ATOM 917 CA VAL A 62 8.389 -2.497 -2.310 1.00 0.00 C ATOM 918 C VAL A 62 9.686 -1.756 -2.013 1.00 0.00 C ATOM 919 O VAL A 62 10.239 -1.084 -2.883 1.00 0.00 O ATOM 920 CB VAL A 62 7.289 -2.007 -1.353 1.00 0.00 C ATOM 921 CG1 VAL A 62 7.044 -0.517 -1.542 1.00 0.00 C ATOM 922 CG2 VAL A 62 6.010 -2.799 -1.575 1.00 0.00 C ATOM 0 H VAL A 62 8.059 -4.390 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 62 8.079 -2.283 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 62 7.619 -2.168 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.263 -0.187 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.963 0.032 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.731 -0.327 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.239 -2.443 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.674 -2.666 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.200 -3.856 -1.389 1.00 0.00 H new ATOM 932 N ARG A 63 10.193 -1.905 -0.793 1.00 0.00 N ATOM 933 CA ARG A 63 11.449 -1.259 -0.413 1.00 0.00 C ATOM 934 C ARG A 63 12.522 -1.532 -1.465 1.00 0.00 C ATOM 935 O ARG A 63 13.309 -0.651 -1.810 1.00 0.00 O ATOM 936 CB ARG A 63 11.933 -1.732 0.967 1.00 0.00 C ATOM 937 CG ARG A 63 11.450 -3.119 1.360 1.00 0.00 C ATOM 938 CD ARG A 63 12.523 -3.902 2.101 1.00 0.00 C ATOM 939 NE ARG A 63 13.133 -3.119 3.179 1.00 0.00 N ATOM 940 CZ ARG A 63 14.373 -2.617 3.156 1.00 0.00 C ATOM 941 NH1 ARG A 63 15.174 -2.793 2.108 1.00 0.00 N ATOM 942 NH2 ARG A 63 14.815 -1.927 4.198 1.00 0.00 N ATOM 0 H ARG A 63 9.760 -2.461 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 63 11.266 -0.186 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.023 -1.723 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.600 -1.018 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.565 -3.031 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.152 -3.667 0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.086 -4.810 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.295 -4.212 1.397 1.00 0.00 H new ATOM 0 HE ARG A 63 12.569 -2.943 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.847 -3.320 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.115 -2.400 2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.211 -1.783 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.759 -1.540 4.190 1.00 0.00 H new ATOM 956 N GLN A 64 12.527 -2.755 -1.985 1.00 0.00 N ATOM 957 CA GLN A 64 13.475 -3.146 -3.019 1.00 0.00 C ATOM 958 C GLN A 64 13.274 -2.329 -4.291 1.00 0.00 C ATOM 959 O GLN A 64 14.216 -1.728 -4.807 1.00 0.00 O ATOM 960 CB GLN A 64 13.331 -4.634 -3.328 1.00 0.00 C ATOM 961 CG GLN A 64 14.445 -5.476 -2.735 1.00 0.00 C ATOM 962 CD GLN A 64 14.146 -5.930 -1.320 1.00 0.00 C ATOM 963 OE1 GLN A 64 14.286 -5.163 -0.367 1.00 0.00 O ATOM 964 NE2 GLN A 64 13.727 -7.182 -1.177 1.00 0.00 N ATOM 0 H GLN A 64 11.882 -3.494 -1.705 1.00 0.00 H new ATOM 0 HA GLN A 64 14.480 -2.951 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.374 -4.987 -2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.314 -4.774 -4.409 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.609 -6.350 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.371 -4.901 -2.740 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.625 -7.782 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.507 -7.543 -0.249 1.00 0.00 H new ATOM 973 N GLU A 65 12.045 -2.322 -4.802 1.00 0.00 N ATOM 974 CA GLU A 65 11.736 -1.593 -6.027 1.00 0.00 C ATOM 975 C GLU A 65 11.786 -0.088 -5.792 1.00 0.00 C ATOM 976 O GLU A 65 12.078 0.685 -6.705 1.00 0.00 O ATOM 977 CB GLU A 65 10.361 -2.001 -6.564 1.00 0.00 C ATOM 978 CG GLU A 65 9.196 -1.430 -5.775 1.00 0.00 C ATOM 979 CD GLU A 65 7.855 -1.930 -6.277 1.00 0.00 C ATOM 980 OE1 GLU A 65 7.508 -3.093 -5.982 1.00 0.00 O ATOM 981 OE2 GLU A 65 7.156 -1.161 -6.969 1.00 0.00 O ATOM 0 H GLU A 65 11.251 -2.811 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 65 12.491 -1.849 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.277 -1.678 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.290 -3.089 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.309 -1.695 -4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.220 -0.342 -5.834 1.00 0.00 H new ATOM 988 N MET A 66 11.511 0.320 -4.559 1.00 0.00 N ATOM 989 CA MET A 66 11.544 1.730 -4.195 1.00 0.00 C ATOM 990 C MET A 66 12.980 2.245 -4.148 1.00 0.00 C ATOM 991 O MET A 66 13.224 3.445 -4.276 1.00 0.00 O ATOM 992 CB MET A 66 10.871 1.940 -2.838 1.00 0.00 C ATOM 993 CG MET A 66 9.407 2.330 -2.939 1.00 0.00 C ATOM 994 SD MET A 66 9.156 3.833 -3.902 1.00 0.00 S ATOM 995 CE MET A 66 8.618 4.964 -2.622 1.00 0.00 C ATOM 0 H MET A 66 11.262 -0.307 -3.794 1.00 0.00 H new ATOM 0 HA MET A 66 11.000 2.291 -4.955 1.00 0.00 H new ATOM 0 HB2 MET A 66 10.955 1.023 -2.255 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.408 2.715 -2.292 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.848 1.513 -3.395 1.00 0.00 H new ATOM 0 HG3 MET A 66 9.003 2.473 -1.937 1.00 0.00 H new ATOM 0 HE1 MET A 66 8.109 5.813 -3.077 1.00 0.00 H new ATOM 0 HE2 MET A 66 7.934 4.450 -1.946 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.484 5.318 -2.062 1.00 0.00 H new ATOM 1005 N ARG A 67 13.928 1.329 -3.966 1.00 0.00 N ATOM 1006 CA ARG A 67 15.339 1.690 -3.896 1.00 0.00 C ATOM 1007 C ARG A 67 15.898 1.996 -5.281 1.00 0.00 C ATOM 1008 O ARG A 67 16.538 3.027 -5.489 1.00 0.00 O ATOM 1009 CB ARG A 67 16.141 0.558 -3.251 1.00 0.00 C ATOM 1010 CG ARG A 67 15.862 0.385 -1.768 1.00 0.00 C ATOM 1011 CD ARG A 67 16.955 1.012 -0.918 1.00 0.00 C ATOM 1012 NE ARG A 67 18.150 0.175 -0.857 1.00 0.00 N ATOM 1013 CZ ARG A 67 19.291 0.559 -0.294 1.00 0.00 C ATOM 1014 NH1 ARG A 67 19.391 1.763 0.254 1.00 0.00 N ATOM 1015 NH2 ARG A 67 20.333 -0.260 -0.279 1.00 0.00 N ATOM 0 H ARG A 67 13.743 0.331 -3.864 1.00 0.00 H new ATOM 0 HA ARG A 67 15.427 2.589 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.915 -0.376 -3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 67 17.204 0.751 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.902 0.840 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.781 -0.676 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.217 1.988 -1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.578 1.180 0.091 1.00 0.00 H new ATOM 0 HE ARG A 67 18.107 -0.757 -1.270 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.591 2.396 0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 67 20.268 2.056 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.260 -1.186 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 67 21.208 0.036 0.153 1.00 0.00 H new ATOM 1029 N ARG A 68 15.646 1.098 -6.228 1.00 0.00 N ATOM 1030 CA ARG A 68 16.135 1.274 -7.593 1.00 0.00 C ATOM 1031 C ARG A 68 15.390 2.400 -8.301 1.00 0.00 C ATOM 1032 O ARG A 68 15.937 3.060 -9.185 1.00 0.00 O ATOM 1033 CB ARG A 68 15.995 -0.016 -8.388 1.00 0.00 C ATOM 1034 CG ARG A 68 14.593 -0.546 -8.340 1.00 0.00 C ATOM 1035 CD ARG A 68 14.559 -2.028 -8.010 1.00 0.00 C ATOM 1036 NE ARG A 68 13.459 -2.712 -8.684 1.00 0.00 N ATOM 1037 CZ ARG A 68 13.431 -4.021 -8.910 1.00 0.00 C ATOM 1038 NH1 ARG A 68 14.441 -4.787 -8.518 1.00 0.00 N ATOM 1039 NH2 ARG A 68 12.392 -4.566 -9.528 1.00 0.00 N ATOM 0 H ARG A 68 15.109 0.244 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 68 17.191 1.539 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.282 0.162 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.681 -0.764 -7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.022 0.005 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.108 -0.377 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.504 -2.486 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.461 -2.158 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 68 12.666 -2.153 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.242 -4.371 -8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 68 14.417 -5.792 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.614 -3.980 -9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.371 -5.571 -9.701 1.00 0.00 H new ATOM 1053 N GLN A 69 14.138 2.611 -7.910 1.00 0.00 N ATOM 1054 CA GLN A 69 13.317 3.658 -8.507 1.00 0.00 C ATOM 1055 C GLN A 69 13.746 5.039 -8.021 1.00 0.00 C ATOM 1056 O GLN A 69 13.460 6.049 -8.664 1.00 0.00 O ATOM 1057 CB GLN A 69 11.842 3.425 -8.177 1.00 0.00 C ATOM 1058 CG GLN A 69 11.086 2.675 -9.261 1.00 0.00 C ATOM 1059 CD GLN A 69 9.922 3.471 -9.817 1.00 0.00 C ATOM 1060 OE1 GLN A 69 9.924 3.864 -10.983 1.00 0.00 O ATOM 1061 NE2 GLN A 69 8.919 3.716 -8.981 1.00 0.00 N ATOM 0 H GLN A 69 13.670 2.071 -7.182 1.00 0.00 H new ATOM 0 HA GLN A 69 13.455 3.618 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.771 2.866 -7.244 1.00 0.00 H new ATOM 0 HB3 GLN A 69 11.360 4.388 -8.009 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.771 2.427 -10.071 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.717 1.733 -8.856 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.959 3.371 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.109 4.249 -9.298 1.00 0.00 H new ATOM 1070 N GLY A 70 14.432 5.077 -6.884 1.00 0.00 N ATOM 1071 CA GLY A 70 14.885 6.340 -6.333 1.00 0.00 C ATOM 1072 C GLY A 70 16.385 6.524 -6.452 1.00 0.00 C ATOM 1073 O GLY A 70 16.858 7.612 -6.780 1.00 0.00 O ATOM 0 H GLY A 70 14.682 4.255 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.381 7.158 -6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.598 6.398 -5.283 1.00 0.00 H new ATOM 1077 N GLY A 71 17.135 5.460 -6.185 1.00 0.00 N ATOM 1078 CA GLY A 71 18.582 5.536 -6.266 1.00 0.00 C ATOM 1079 C GLY A 71 19.179 6.379 -5.157 1.00 0.00 C ATOM 1080 O GLY A 71 19.125 7.608 -5.206 1.00 0.00 O ATOM 0 H GLY A 71 16.767 4.548 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.999 4.530 -6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.868 5.955 -7.231 1.00 0.00 H new ATOM 1084 N SER A 72 19.744 5.719 -4.152 1.00 0.00 N ATOM 1085 CA SER A 72 20.347 6.417 -3.023 1.00 0.00 C ATOM 1086 C SER A 72 19.281 7.101 -2.174 1.00 0.00 C ATOM 1087 O SER A 72 19.086 6.757 -1.008 1.00 0.00 O ATOM 1088 CB SER A 72 21.362 7.450 -3.517 1.00 0.00 C ATOM 1089 OG SER A 72 21.979 7.025 -4.720 1.00 0.00 O ATOM 0 H SER A 72 19.797 4.702 -4.096 1.00 0.00 H new ATOM 0 HA SER A 72 20.860 5.680 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.863 8.406 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 72 22.122 7.612 -2.753 1.00 0.00 H new ATOM 0 HG SER A 72 22.622 7.703 -5.015 1.00 0.00 H new ATOM 1095 N GLY A 73 18.592 8.071 -2.767 1.00 0.00 N ATOM 1096 CA GLY A 73 17.552 8.787 -2.051 1.00 0.00 C ATOM 1097 C GLY A 73 17.304 10.171 -2.619 1.00 0.00 C ATOM 1098 O GLY A 73 18.199 10.777 -3.208 1.00 0.00 O ATOM 0 H GLY A 73 18.735 8.374 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.627 8.211 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.832 8.873 -1.001 1.00 0.00 H new ATOM 1102 N GLY A 74 16.087 10.673 -2.440 1.00 0.00 N ATOM 1103 CA GLY A 74 15.746 11.989 -2.945 1.00 0.00 C ATOM 1104 C GLY A 74 15.670 12.026 -4.459 1.00 0.00 C ATOM 1105 O GLY A 74 16.418 11.325 -5.142 1.00 0.00 O ATOM 0 H GLY A 74 15.331 10.191 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.787 12.298 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.489 12.710 -2.604 1.00 0.00 H new ATOM 1109 N SER A 75 14.763 12.843 -4.985 1.00 0.00 N ATOM 1110 CA SER A 75 14.589 12.966 -6.427 1.00 0.00 C ATOM 1111 C SER A 75 14.261 11.613 -7.051 1.00 0.00 C ATOM 1112 O SER A 75 14.647 11.331 -8.185 1.00 0.00 O ATOM 1113 CB SER A 75 15.852 13.544 -7.068 1.00 0.00 C ATOM 1114 OG SER A 75 15.533 14.572 -7.990 1.00 0.00 O ATOM 0 H SER A 75 14.137 13.430 -4.433 1.00 0.00 H new ATOM 0 HA SER A 75 13.755 13.644 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.509 13.938 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.400 12.752 -7.578 1.00 0.00 H new ATOM 0 HG SER A 75 16.358 14.925 -8.384 1.00 0.00 H new ATOM 1120 N GLN A 76 13.545 10.781 -6.302 1.00 0.00 N ATOM 1121 CA GLN A 76 13.165 9.457 -6.779 1.00 0.00 C ATOM 1122 C GLN A 76 12.044 9.552 -7.810 1.00 0.00 C ATOM 1123 O GLN A 76 11.380 10.582 -7.925 1.00 0.00 O ATOM 1124 CB GLN A 76 12.725 8.577 -5.607 1.00 0.00 C ATOM 1125 CG GLN A 76 11.402 8.999 -4.991 1.00 0.00 C ATOM 1126 CD GLN A 76 11.146 8.342 -3.649 1.00 0.00 C ATOM 1127 OE1 GLN A 76 10.696 8.989 -2.703 1.00 0.00 O ATOM 1128 NE2 GLN A 76 11.434 7.048 -3.559 1.00 0.00 N ATOM 0 H GLN A 76 13.216 11.001 -5.362 1.00 0.00 H new ATOM 0 HA GLN A 76 14.035 9.005 -7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.644 7.545 -5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.497 8.598 -4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.392 10.082 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.591 8.748 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.805 6.551 -4.368 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.284 6.552 -2.680 1.00 0.00 H new ATOM 1137 N SER A 77 11.841 8.473 -8.560 1.00 0.00 N ATOM 1138 CA SER A 77 10.809 8.442 -9.589 1.00 0.00 C ATOM 1139 C SER A 77 9.520 7.820 -9.060 1.00 0.00 C ATOM 1140 O SER A 77 9.416 6.601 -8.925 1.00 0.00 O ATOM 1141 CB SER A 77 11.301 7.661 -10.808 1.00 0.00 C ATOM 1142 OG SER A 77 12.211 8.431 -11.575 1.00 0.00 O ATOM 0 H SER A 77 12.377 7.610 -8.474 1.00 0.00 H new ATOM 0 HA SER A 77 10.597 9.470 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.784 6.740 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.451 7.374 -11.427 1.00 0.00 H new ATOM 0 HG SER A 77 12.512 7.908 -12.347 1.00 0.00 H new ATOM 1148 N SER A 78 8.536 8.668 -8.775 1.00 0.00 N ATOM 1149 CA SER A 78 7.244 8.208 -8.277 1.00 0.00 C ATOM 1150 C SER A 78 6.442 7.505 -9.374 1.00 0.00 C ATOM 1151 O SER A 78 5.435 6.853 -9.093 1.00 0.00 O ATOM 1152 CB SER A 78 6.442 9.390 -7.730 1.00 0.00 C ATOM 1153 OG SER A 78 6.840 10.604 -8.343 1.00 0.00 O ATOM 0 H SER A 78 8.609 9.680 -8.881 1.00 0.00 H new ATOM 0 HA SER A 78 7.430 7.491 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.379 9.223 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.582 9.461 -6.651 1.00 0.00 H new ATOM 0 HG SER A 78 6.311 11.344 -7.977 1.00 0.00 H new ATOM 1159 N GLU A 79 6.912 7.601 -10.618 1.00 0.00 N ATOM 1160 CA GLU A 79 6.216 6.990 -11.743 1.00 0.00 C ATOM 1161 C GLU A 79 6.348 5.473 -11.702 1.00 0.00 C ATOM 1162 O GLU A 79 7.273 4.899 -12.276 1.00 0.00 O ATOM 1163 CB GLU A 79 6.770 7.527 -13.064 1.00 0.00 C ATOM 1164 CG GLU A 79 8.277 7.377 -13.194 1.00 0.00 C ATOM 1165 CD GLU A 79 9.005 8.702 -13.089 1.00 0.00 C ATOM 1166 OE1 GLU A 79 8.773 9.431 -12.101 1.00 0.00 O ATOM 1167 OE2 GLU A 79 9.808 9.012 -13.994 1.00 0.00 O ATOM 0 H GLU A 79 7.769 8.095 -10.868 1.00 0.00 H new ATOM 0 HA GLU A 79 5.159 7.247 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.288 7.005 -13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.508 8.581 -13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.640 6.704 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.511 6.913 -14.152 1.00 0.00 H new ATOM 1174 N GLY A 80 5.411 4.835 -11.012 1.00 0.00 N ATOM 1175 CA GLY A 80 5.423 3.393 -10.885 1.00 0.00 C ATOM 1176 C GLY A 80 4.493 2.917 -9.789 1.00 0.00 C ATOM 1177 O GLY A 80 3.279 2.853 -9.980 1.00 0.00 O ATOM 0 H GLY A 80 4.637 5.297 -10.535 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.128 2.942 -11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.437 3.055 -10.673 1.00 0.00 H new ATOM 1181 N LEU A 81 5.060 2.594 -8.633 1.00 0.00 N ATOM 1182 CA LEU A 81 4.267 2.141 -7.498 1.00 0.00 C ATOM 1183 C LEU A 81 3.344 3.248 -6.994 1.00 0.00 C ATOM 1184 O LEU A 81 2.242 2.977 -6.518 1.00 0.00 O ATOM 1185 CB LEU A 81 5.178 1.662 -6.366 1.00 0.00 C ATOM 1186 CG LEU A 81 6.298 2.628 -5.980 1.00 0.00 C ATOM 1187 CD1 LEU A 81 6.010 3.262 -4.628 1.00 0.00 C ATOM 1188 CD2 LEU A 81 7.637 1.908 -5.957 1.00 0.00 C ATOM 0 H LEU A 81 6.064 2.637 -8.457 1.00 0.00 H new ATOM 0 HA LEU A 81 3.650 1.308 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.566 1.470 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.624 0.711 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 81 6.346 3.419 -6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.817 3.947 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.070 3.811 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.937 2.483 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.423 2.611 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.602 1.098 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.847 1.499 -6.945 1.00 0.00 H new ATOM 1200 N VAL A 82 3.806 4.495 -7.078 1.00 0.00 N ATOM 1201 CA VAL A 82 3.014 5.631 -6.616 1.00 0.00 C ATOM 1202 C VAL A 82 1.751 5.803 -7.452 1.00 0.00 C ATOM 1203 O VAL A 82 0.694 6.157 -6.930 1.00 0.00 O ATOM 1204 CB VAL A 82 3.821 6.942 -6.654 1.00 0.00 C ATOM 1205 CG1 VAL A 82 3.139 8.012 -5.817 1.00 0.00 C ATOM 1206 CG2 VAL A 82 5.246 6.707 -6.177 1.00 0.00 C ATOM 0 H VAL A 82 4.719 4.742 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 82 2.738 5.415 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 82 3.863 7.292 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.723 8.931 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.140 8.200 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.064 7.673 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.800 7.645 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.230 6.332 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.730 5.976 -6.824 1.00 0.00 H new ATOM 1216 N GLY A 83 1.868 5.557 -8.752 1.00 0.00 N ATOM 1217 CA GLY A 83 0.728 5.702 -9.636 1.00 0.00 C ATOM 1218 C GLY A 83 -0.330 4.643 -9.399 1.00 0.00 C ATOM 1219 O GLY A 83 -1.525 4.938 -9.405 1.00 0.00 O ATOM 0 H GLY A 83 2.731 5.260 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.287 6.689 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.066 5.648 -10.671 1.00 0.00 H new ATOM 1223 N ALA A 84 0.107 3.405 -9.193 1.00 0.00 N ATOM 1224 CA ALA A 84 -0.814 2.305 -8.939 1.00 0.00 C ATOM 1225 C ALA A 84 -1.557 2.520 -7.625 1.00 0.00 C ATOM 1226 O ALA A 84 -2.786 2.459 -7.577 1.00 0.00 O ATOM 1227 CB ALA A 84 -0.068 0.980 -8.923 1.00 0.00 C ATOM 0 H ALA A 84 1.092 3.139 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.548 2.277 -9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.771 0.169 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.414 0.822 -9.888 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.688 0.997 -8.138 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.804 2.791 -6.563 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.393 3.047 -5.255 1.00 0.00 C ATOM 1235 C LEU A 85 -2.341 4.238 -5.327 1.00 0.00 C ATOM 1236 O LEU A 85 -3.417 4.227 -4.729 1.00 0.00 O ATOM 1237 CB LEU A 85 -0.297 3.311 -4.219 1.00 0.00 C ATOM 1238 CG LEU A 85 -0.797 3.752 -2.841 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -1.943 2.865 -2.377 1.00 0.00 C ATOM 1240 CD2 LEU A 85 0.340 3.729 -1.831 1.00 0.00 C ATOM 0 H LEU A 85 0.215 2.839 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.957 2.165 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.295 2.403 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.372 4.079 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.167 4.774 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.284 3.195 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.766 2.932 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.601 1.832 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.032 4.045 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.740 2.718 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.129 4.408 -2.156 1.00 0.00 H new ATOM 1252 N MET A 86 -1.939 5.260 -6.077 1.00 0.00 N ATOM 1253 CA MET A 86 -2.764 6.448 -6.253 1.00 0.00 C ATOM 1254 C MET A 86 -4.150 6.057 -6.749 1.00 0.00 C ATOM 1255 O MET A 86 -5.156 6.630 -6.333 1.00 0.00 O ATOM 1256 CB MET A 86 -2.107 7.412 -7.242 1.00 0.00 C ATOM 1257 CG MET A 86 -1.323 8.528 -6.573 1.00 0.00 C ATOM 1258 SD MET A 86 -1.154 9.984 -7.623 1.00 0.00 S ATOM 1259 CE MET A 86 0.595 9.925 -8.005 1.00 0.00 C ATOM 0 H MET A 86 -1.047 5.288 -6.572 1.00 0.00 H new ATOM 0 HA MET A 86 -2.861 6.948 -5.289 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.439 6.850 -7.895 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.878 7.850 -7.876 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.820 8.810 -5.645 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.332 8.161 -6.305 1.00 0.00 H new ATOM 0 HE1 MET A 86 0.828 10.676 -8.759 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.172 10.126 -7.102 1.00 0.00 H new ATOM 0 HE3 MET A 86 0.851 8.936 -8.386 1.00 0.00 H new ATOM 1269 N HIS A 87 -4.190 5.067 -7.634 1.00 0.00 N ATOM 1270 CA HIS A 87 -5.448 4.572 -8.177 1.00 0.00 C ATOM 1271 C HIS A 87 -6.234 3.828 -7.103 1.00 0.00 C ATOM 1272 O HIS A 87 -7.440 4.024 -6.952 1.00 0.00 O ATOM 1273 CB HIS A 87 -5.176 3.651 -9.371 1.00 0.00 C ATOM 1274 CG HIS A 87 -6.393 2.932 -9.870 1.00 0.00 C ATOM 1275 ND1 HIS A 87 -7.673 3.419 -9.709 1.00 0.00 N ATOM 1276 CD2 HIS A 87 -6.519 1.756 -10.529 1.00 0.00 C ATOM 1277 CE1 HIS A 87 -8.534 2.574 -10.248 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -7.859 1.558 -10.751 1.00 0.00 N ATOM 0 H HIS A 87 -3.362 4.590 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.043 5.421 -8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.755 4.241 -10.185 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.422 2.916 -9.087 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.917 4.295 -9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.716 1.097 -10.825 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.607 2.694 -10.273 1.00 0.00 H new ATOM 1287 N VAL A 88 -5.538 2.980 -6.352 1.00 0.00 N ATOM 1288 CA VAL A 88 -6.164 2.220 -5.278 1.00 0.00 C ATOM 1289 C VAL A 88 -6.851 3.150 -4.286 1.00 0.00 C ATOM 1290 O VAL A 88 -7.938 2.852 -3.793 1.00 0.00 O ATOM 1291 CB VAL A 88 -5.136 1.359 -4.523 1.00 0.00 C ATOM 1292 CG1 VAL A 88 -5.827 0.508 -3.471 1.00 0.00 C ATOM 1293 CG2 VAL A 88 -4.347 0.490 -5.491 1.00 0.00 C ATOM 0 H VAL A 88 -4.540 2.803 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.903 1.566 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.434 2.023 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.086 -0.095 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.339 1.155 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.553 -0.147 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.626 -0.110 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.030 -0.168 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.819 1.125 -6.203 1.00 0.00 H new ATOM 1303 N MET A 89 -6.215 4.284 -4.005 1.00 0.00 N ATOM 1304 CA MET A 89 -6.782 5.260 -3.086 1.00 0.00 C ATOM 1305 C MET A 89 -8.113 5.770 -3.622 1.00 0.00 C ATOM 1306 O MET A 89 -9.061 5.981 -2.866 1.00 0.00 O ATOM 1307 CB MET A 89 -5.812 6.424 -2.875 1.00 0.00 C ATOM 1308 CG MET A 89 -4.621 6.068 -2.001 1.00 0.00 C ATOM 1309 SD MET A 89 -5.086 5.763 -0.285 1.00 0.00 S ATOM 1310 CE MET A 89 -4.528 4.074 -0.078 1.00 0.00 C ATOM 0 H MET A 89 -5.312 4.547 -4.399 1.00 0.00 H new ATOM 0 HA MET A 89 -6.952 4.776 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.452 6.767 -3.845 1.00 0.00 H new ATOM 0 HB3 MET A 89 -6.349 7.257 -2.422 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.132 5.181 -2.404 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.893 6.878 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.193 3.553 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.536 3.567 -1.043 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.515 4.072 0.324 1.00 0.00 H new ATOM 1320 N GLN A 90 -8.181 5.939 -4.938 1.00 0.00 N ATOM 1321 CA GLN A 90 -9.414 6.358 -5.593 1.00 0.00 C ATOM 1322 C GLN A 90 -10.409 5.199 -5.640 1.00 0.00 C ATOM 1323 O GLN A 90 -11.609 5.403 -5.823 1.00 0.00 O ATOM 1324 CB GLN A 90 -9.124 6.854 -7.011 1.00 0.00 C ATOM 1325 CG GLN A 90 -7.904 7.755 -7.103 1.00 0.00 C ATOM 1326 CD GLN A 90 -7.249 7.715 -8.470 1.00 0.00 C ATOM 1327 OE1 GLN A 90 -7.715 7.024 -9.376 1.00 0.00 O ATOM 1328 NE2 GLN A 90 -6.161 8.461 -8.625 1.00 0.00 N ATOM 0 H GLN A 90 -7.396 5.792 -5.572 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.849 7.175 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -8.980 5.994 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -9.994 7.395 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.196 8.780 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.178 7.455 -6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.810 9.018 -7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.677 8.476 -9.523 1.00 0.00 H new ATOM 1337 N LYS A 91 -9.901 3.984 -5.431 1.00 0.00 N ATOM 1338 CA LYS A 91 -10.724 2.787 -5.450 1.00 0.00 C ATOM 1339 C LYS A 91 -11.673 2.756 -4.258 1.00 0.00 C ATOM 1340 O LYS A 91 -12.892 2.702 -4.419 1.00 0.00 O ATOM 1341 CB LYS A 91 -9.815 1.557 -5.408 1.00 0.00 C ATOM 1342 CG LYS A 91 -10.402 0.349 -6.091 1.00 0.00 C ATOM 1343 CD LYS A 91 -10.234 0.443 -7.596 1.00 0.00 C ATOM 1344 CE LYS A 91 -10.412 -0.910 -8.258 1.00 0.00 C ATOM 1345 NZ LYS A 91 -11.797 -1.104 -8.769 1.00 0.00 N ATOM 0 H LYS A 91 -8.914 3.808 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.320 2.787 -6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.863 1.803 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.602 1.308 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.916 -0.554 -5.722 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.460 0.265 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.961 1.147 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.245 0.837 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.705 -1.006 -9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.176 -1.697 -7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.845 -1.987 -9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.458 -1.157 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.057 -0.304 -9.380 1.00 0.00 H new ATOM 1359 N ARG A 92 -11.101 2.830 -3.065 1.00 0.00 N ATOM 1360 CA ARG A 92 -11.877 2.813 -1.834 1.00 0.00 C ATOM 1361 C ARG A 92 -12.612 4.135 -1.619 1.00 0.00 C ATOM 1362 O ARG A 92 -13.551 4.208 -0.826 1.00 0.00 O ATOM 1363 CB ARG A 92 -10.955 2.532 -0.646 1.00 0.00 C ATOM 1364 CG ARG A 92 -11.675 1.956 0.560 1.00 0.00 C ATOM 1365 CD ARG A 92 -11.761 0.441 0.489 1.00 0.00 C ATOM 1366 NE ARG A 92 -13.132 -0.038 0.635 1.00 0.00 N ATOM 1367 CZ ARG A 92 -13.457 -1.324 0.716 1.00 0.00 C ATOM 1368 NH1 ARG A 92 -12.512 -2.253 0.667 1.00 0.00 N ATOM 1369 NH2 ARG A 92 -14.727 -1.682 0.847 1.00 0.00 N ATOM 0 H ARG A 92 -10.094 2.903 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.623 2.023 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.175 1.838 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.459 3.458 -0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.152 2.249 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.679 2.376 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.358 0.100 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.140 0.006 1.272 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.882 0.652 0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.534 -1.981 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.763 -3.240 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.456 -0.970 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.975 -2.670 0.909 1.00 0.00 H new ATOM 1383 N SER A 93 -12.185 5.178 -2.328 1.00 0.00 N ATOM 1384 CA SER A 93 -12.807 6.491 -2.203 1.00 0.00 C ATOM 1385 C SER A 93 -14.146 6.531 -2.931 1.00 0.00 C ATOM 1386 O SER A 93 -15.079 7.207 -2.498 1.00 0.00 O ATOM 1387 CB SER A 93 -11.882 7.573 -2.764 1.00 0.00 C ATOM 1388 OG SER A 93 -11.916 8.740 -1.962 1.00 0.00 O ATOM 0 H SER A 93 -11.413 5.138 -2.993 1.00 0.00 H new ATOM 0 HA SER A 93 -12.981 6.681 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.862 7.193 -2.815 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.182 7.819 -3.783 1.00 0.00 H new ATOM 0 HG SER A 93 -11.315 9.415 -2.341 1.00 0.00 H new ATOM 1394 N ARG A 94 -14.231 5.807 -4.040 1.00 0.00 N ATOM 1395 CA ARG A 94 -15.456 5.761 -4.829 1.00 0.00 C ATOM 1396 C ARG A 94 -16.298 4.534 -4.483 1.00 0.00 C ATOM 1397 O ARG A 94 -17.480 4.469 -4.821 1.00 0.00 O ATOM 1398 CB ARG A 94 -15.124 5.759 -6.323 1.00 0.00 C ATOM 1399 CG ARG A 94 -15.061 7.151 -6.931 1.00 0.00 C ATOM 1400 CD ARG A 94 -13.636 7.677 -6.976 1.00 0.00 C ATOM 1401 NE ARG A 94 -13.546 9.052 -6.495 1.00 0.00 N ATOM 1402 CZ ARG A 94 -12.535 9.868 -6.780 1.00 0.00 C ATOM 1403 NH1 ARG A 94 -11.534 9.446 -7.541 1.00 0.00 N ATOM 1404 NH2 ARG A 94 -12.524 11.106 -6.305 1.00 0.00 N ATOM 0 H ARG A 94 -13.467 5.244 -4.413 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.038 6.651 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.166 5.261 -6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.875 5.173 -6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.473 7.127 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.683 7.831 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.994 7.038 -6.370 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.262 7.625 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.300 9.407 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.539 8.495 -7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.759 10.073 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.292 11.434 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.748 11.730 -6.525 1.00 0.00 H new ATOM 1418 N ALA A 95 -15.690 3.565 -3.801 1.00 0.00 N ATOM 1419 CA ALA A 95 -16.392 2.345 -3.422 1.00 0.00 C ATOM 1420 C ALA A 95 -17.364 2.595 -2.280 1.00 0.00 C ATOM 1421 O ALA A 95 -16.968 2.992 -1.184 1.00 0.00 O ATOM 1422 CB ALA A 95 -15.402 1.257 -3.043 1.00 0.00 C ATOM 0 H ALA A 95 -14.716 3.603 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 95 -16.968 2.013 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.944 0.354 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -14.754 1.043 -3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.797 1.593 -2.201 1.00 0.00 H new ATOM 1428 N ILE A 96 -18.639 2.349 -2.550 1.00 0.00 N ATOM 1429 CA ILE A 96 -19.679 2.514 -1.551 1.00 0.00 C ATOM 1430 C ILE A 96 -20.537 1.258 -1.467 1.00 0.00 C ATOM 1431 O ILE A 96 -21.306 0.952 -2.377 1.00 0.00 O ATOM 1432 CB ILE A 96 -20.581 3.723 -1.859 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -21.517 3.992 -0.678 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -21.375 3.478 -3.133 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -22.592 5.013 -0.972 1.00 0.00 C ATOM 0 H ILE A 96 -18.976 2.033 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 96 -19.183 2.689 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.956 4.603 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -21.990 3.056 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -20.926 4.335 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -22.008 4.341 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -20.689 3.325 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -21.998 2.592 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -23.215 5.150 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -22.129 5.962 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -23.209 4.664 -1.800 1.00 0.00 H new ATOM 1447 N HIS A 97 -20.388 0.516 -0.388 1.00 0.00 N ATOM 1448 CA HIS A 97 -21.157 -0.704 -0.224 1.00 0.00 C ATOM 1449 C HIS A 97 -22.640 -0.386 -0.086 1.00 0.00 C ATOM 1450 O HIS A 97 -23.188 -0.377 1.016 1.00 0.00 O ATOM 1451 CB HIS A 97 -20.668 -1.498 0.988 1.00 0.00 C ATOM 1452 CG HIS A 97 -20.902 -2.973 0.870 1.00 0.00 C ATOM 1453 ND1 HIS A 97 -21.971 -3.511 0.184 1.00 0.00 N ATOM 1454 CD2 HIS A 97 -20.198 -4.026 1.352 1.00 0.00 C ATOM 1455 CE1 HIS A 97 -21.916 -4.830 0.250 1.00 0.00 C ATOM 1456 NE2 HIS A 97 -20.851 -5.166 0.952 1.00 0.00 N ATOM 0 H HIS A 97 -19.751 0.731 0.379 1.00 0.00 H new ATOM 0 HA HIS A 97 -21.014 -1.317 -1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -19.602 -1.317 1.125 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -21.171 -1.129 1.882 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.293 -3.978 1.940 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.622 -5.515 -0.195 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -20.559 -6.120 1.164 1.00 0.00 H new ATOM 1465 N SER A 98 -23.280 -0.118 -1.219 1.00 0.00 N ATOM 1466 CA SER A 98 -24.697 0.215 -1.245 1.00 0.00 C ATOM 1467 C SER A 98 -25.504 -0.906 -1.892 1.00 0.00 C ATOM 1468 O SER A 98 -24.989 -2.000 -2.124 1.00 0.00 O ATOM 1469 CB SER A 98 -24.910 1.521 -2.013 1.00 0.00 C ATOM 1470 OG SER A 98 -25.585 2.478 -1.215 1.00 0.00 O ATOM 0 H SER A 98 -22.835 -0.125 -2.137 1.00 0.00 H new ATOM 0 HA SER A 98 -25.042 0.339 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 98 -23.947 1.921 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.487 1.325 -2.917 1.00 0.00 H new ATOM 0 HG SER A 98 -25.707 3.304 -1.728 1.00 0.00 H new ATOM 1476 N SER A 99 -26.770 -0.626 -2.187 1.00 0.00 N ATOM 1477 CA SER A 99 -27.643 -1.613 -2.813 1.00 0.00 C ATOM 1478 C SER A 99 -27.778 -1.350 -4.309 1.00 0.00 C ATOM 1479 O SER A 99 -27.232 -0.376 -4.829 1.00 0.00 O ATOM 1480 CB SER A 99 -29.025 -1.596 -2.155 1.00 0.00 C ATOM 1481 OG SER A 99 -29.339 -2.859 -1.594 1.00 0.00 O ATOM 0 H SER A 99 -27.213 0.274 -2.003 1.00 0.00 H new ATOM 0 HA SER A 99 -27.194 -2.596 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 99 -29.052 -0.833 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 99 -29.779 -1.325 -2.894 1.00 0.00 H new ATOM 0 HG SER A 99 -30.226 -2.821 -1.179 1.00 0.00 H new ATOM 1487 N ASP A 100 -28.510 -2.222 -4.995 1.00 0.00 N ATOM 1488 CA ASP A 100 -28.717 -2.083 -6.431 1.00 0.00 C ATOM 1489 C ASP A 100 -27.414 -2.291 -7.195 1.00 0.00 C ATOM 1490 O ASP A 100 -27.253 -3.279 -7.911 1.00 0.00 O ATOM 1491 CB ASP A 100 -29.291 -0.701 -6.751 1.00 0.00 C ATOM 1492 CG ASP A 100 -30.708 -0.772 -7.284 1.00 0.00 C ATOM 1493 OD1 ASP A 100 -30.958 -1.582 -8.202 1.00 0.00 O ATOM 1494 OD2 ASP A 100 -31.569 -0.018 -6.784 1.00 0.00 O ATOM 0 H ASP A 100 -28.969 -3.032 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 100 -29.426 -2.849 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -29.275 -0.087 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -28.654 -0.207 -7.485 1.00 0.00 H new ATOM 1499 N GLU A 101 -26.489 -1.350 -7.042 1.00 0.00 N ATOM 1500 CA GLU A 101 -25.200 -1.426 -7.718 1.00 0.00 C ATOM 1501 C GLU A 101 -24.067 -1.024 -6.780 1.00 0.00 C ATOM 1502 O GLU A 101 -23.626 0.125 -6.781 1.00 0.00 O ATOM 1503 CB GLU A 101 -25.196 -0.525 -8.955 1.00 0.00 C ATOM 1504 CG GLU A 101 -25.390 0.949 -8.635 1.00 0.00 C ATOM 1505 CD GLU A 101 -26.319 1.640 -9.613 1.00 0.00 C ATOM 1506 OE1 GLU A 101 -27.497 1.233 -9.702 1.00 0.00 O ATOM 1507 OE2 GLU A 101 -25.871 2.589 -10.290 1.00 0.00 O ATOM 0 H GLU A 101 -26.608 -0.525 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 101 -25.042 -2.459 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -24.251 -0.652 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -25.986 -0.848 -9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -25.791 1.048 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -24.422 1.449 -8.644 1.00 0.00 H new ATOM 1514 N GLY A 102 -23.603 -1.977 -5.979 1.00 0.00 N ATOM 1515 CA GLY A 102 -22.525 -1.703 -5.047 1.00 0.00 C ATOM 1516 C GLY A 102 -21.792 -2.960 -4.624 1.00 0.00 C ATOM 1517 O GLY A 102 -21.791 -3.321 -3.447 1.00 0.00 O ATOM 0 H GLY A 102 -23.954 -2.934 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -21.819 -1.011 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.929 -1.207 -4.164 1.00 0.00 H new ATOM 1521 N GLU A 103 -21.166 -3.627 -5.587 1.00 0.00 N ATOM 1522 CA GLU A 103 -20.425 -4.851 -5.313 1.00 0.00 C ATOM 1523 C GLU A 103 -18.926 -4.579 -5.258 1.00 0.00 C ATOM 1524 O GLU A 103 -18.476 -3.467 -5.535 1.00 0.00 O ATOM 1525 CB GLU A 103 -20.724 -5.903 -6.383 1.00 0.00 C ATOM 1526 CG GLU A 103 -21.718 -6.961 -5.933 1.00 0.00 C ATOM 1527 CD GLU A 103 -21.049 -8.135 -5.246 1.00 0.00 C ATOM 1528 OE1 GLU A 103 -20.568 -7.961 -4.107 1.00 0.00 O ATOM 1529 OE2 GLU A 103 -21.008 -9.229 -5.847 1.00 0.00 O ATOM 0 H GLU A 103 -21.157 -3.340 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.744 -5.229 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -21.113 -5.405 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.793 -6.390 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -22.440 -6.510 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -22.276 -7.321 -6.797 1.00 0.00 H new ATOM 1536 N ASP A 104 -18.158 -5.603 -4.902 1.00 0.00 N ATOM 1537 CA ASP A 104 -16.709 -5.475 -4.809 1.00 0.00 C ATOM 1538 C ASP A 104 -16.082 -5.371 -6.195 1.00 0.00 C ATOM 1539 O ASP A 104 -16.779 -5.422 -7.208 1.00 0.00 O ATOM 1540 CB ASP A 104 -16.120 -6.671 -4.059 1.00 0.00 C ATOM 1541 CG ASP A 104 -16.940 -7.049 -2.841 1.00 0.00 C ATOM 1542 OD1 ASP A 104 -18.118 -7.427 -3.012 1.00 0.00 O ATOM 1543 OD2 ASP A 104 -16.405 -6.964 -1.715 1.00 0.00 O ATOM 0 H ASP A 104 -18.515 -6.531 -4.673 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.483 -4.561 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.060 -7.526 -4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.101 -6.437 -3.750 1.00 0.00 H new ATOM 1548 N GLN A 105 -14.762 -5.222 -6.233 1.00 0.00 N ATOM 1549 CA GLN A 105 -14.041 -5.109 -7.495 1.00 0.00 C ATOM 1550 C GLN A 105 -12.861 -6.075 -7.538 1.00 0.00 C ATOM 1551 O GLN A 105 -11.807 -5.759 -8.089 1.00 0.00 O ATOM 1552 CB GLN A 105 -13.547 -3.675 -7.696 1.00 0.00 C ATOM 1553 CG GLN A 105 -14.647 -2.700 -8.084 1.00 0.00 C ATOM 1554 CD GLN A 105 -14.882 -2.654 -9.581 1.00 0.00 C ATOM 1555 OE1 GLN A 105 -14.192 -1.940 -10.308 1.00 0.00 O ATOM 1556 NE2 GLN A 105 -15.860 -3.421 -10.049 1.00 0.00 N ATOM 0 H GLN A 105 -14.170 -5.177 -5.404 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.728 -5.368 -8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.075 -3.330 -6.776 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -12.779 -3.669 -8.469 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.573 -2.984 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.385 -1.703 -7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.407 -3.997 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -16.064 -3.434 -11.048 1.00 0.00 H new ATOM 1565 N ALA A 106 -13.047 -7.256 -6.956 1.00 0.00 N ATOM 1566 CA ALA A 106 -11.996 -8.266 -6.928 1.00 0.00 C ATOM 1567 C ALA A 106 -11.936 -9.031 -8.246 1.00 0.00 C ATOM 1568 O ALA A 106 -12.965 -9.305 -8.864 1.00 0.00 O ATOM 1569 CB ALA A 106 -12.213 -9.225 -5.768 1.00 0.00 C ATOM 0 H ALA A 106 -13.914 -7.536 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 106 -11.042 -7.757 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.420 -9.973 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.197 -8.671 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -13.178 -9.720 -5.881 1.00 0.00 H new ATOM 1575 N GLY A 107 -10.723 -9.369 -8.671 1.00 0.00 N ATOM 1576 CA GLY A 107 -10.548 -10.098 -9.912 1.00 0.00 C ATOM 1577 C GLY A 107 -11.099 -9.349 -11.110 1.00 0.00 C ATOM 1578 O GLY A 107 -11.631 -10.007 -12.028 1.00 0.00 O ATOM 1579 OXT GLY A 107 -10.995 -8.104 -11.131 1.00 0.00 O ATOM 0 H GLY A 107 -9.858 -9.150 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.487 -10.295 -10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.043 -11.066 -9.834 1.00 0.00 H new TER 1583 GLY A 107