USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 729 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 82 GLN : amide:sc= 0 X(o=0,f=0.044) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -64:sc= 0.713 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.635 USER MOD Set 3.1: A 2 CYS SG : rot -67:sc= 0.39! USER MOD Set 3.2: A 5 CYS SG : rot 48:sc= -0.562! USER MOD Set 3.3: A 30 CYS SG : rot 33:sc= 0.291 USER MOD Set 3.4: A 33 CYS SG : rot -53:sc= 2.69 USER MOD Set 3.5: A 61 CYS SG : rot -156:sc= 0.628 USER MOD Set 3.6: A 63 ASN : amide:sc= 0.228 K(o=4.9,f=2.9) USER MOD Set 3.7: A 64 CYS SG : rot -108:sc= 0.874 USER MOD Set 3.8: A 66 HIS : no HE2:sc= 0.34 K(o=4.9,f=-0.34) USER MOD Set 4.1: A 22 SER OG : rot -62:sc= 0.841 USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 59 HIS : no HD1:sc= 0.837 K(o=4.2,f=-0.16) USER MOD Set 4.4: A 71 HIS : no HD1:sc= 0.613 K(o=4.2,f=-0.018!) USER MOD Set 4.5: A 88 CYS SG : rot 42:sc= 1.89 USER MOD Set 4.6: A 91 CYS SG : rot 143:sc= -0.0295 USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.98) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.752 K(o=0.75,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.687 K(o=0.69,f=-0.89) USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.308 USER MOD Single : A 17 CYS SG : rot 60:sc= 0.452 USER MOD Single : A 20 ASN : amide:sc= -0.0578 K(o=-0.058,f=-0.63) USER MOD Single : A 26 ASN : amide:sc= 2.18 K(o=2.2,f=-8.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0053 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0154 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.0879 (180deg=0) USER MOD Single : A 39 MET CE :methyl -144:sc= -0.0234 (180deg=-3.05!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.11 K(o=2.1,f=-0.12) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.845) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.09 (180deg=1.07) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 0.0273 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.107) USER MOD Single : A 86 MET CE :methyl -170:sc=-0.00119 (180deg=-0.258) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.106 14.934 -8.563 1.00 0.00 N ATOM 2 CA CYS A 2 -0.657 15.405 -9.864 1.00 0.00 C ATOM 3 C CYS A 2 0.750 14.886 -10.242 1.00 0.00 C ATOM 4 O CYS A 2 1.358 15.337 -11.219 1.00 0.00 O ATOM 5 CB CYS A 2 -0.849 16.950 -9.939 1.00 0.00 C ATOM 6 SG CYS A 2 -0.723 17.900 -8.358 1.00 0.00 S ATOM 0 HA CYS A 2 -1.279 14.973 -10.648 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.108 17.348 -10.632 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.829 17.147 -10.373 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.719 17.587 -7.583 1.00 0.00 H new ATOM 11 N GLY A 3 1.282 13.939 -9.459 1.00 0.00 N ATOM 12 CA GLY A 3 2.621 13.345 -9.580 1.00 0.00 C ATOM 13 C GLY A 3 3.707 14.304 -9.083 1.00 0.00 C ATOM 14 O GLY A 3 4.650 13.878 -8.422 1.00 0.00 O ATOM 0 H GLY A 3 0.759 13.543 -8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.662 12.418 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.812 13.085 -10.621 1.00 0.00 H new ATOM 18 N ASP A 4 3.532 15.612 -9.292 1.00 0.00 N ATOM 19 CA ASP A 4 4.379 16.642 -8.684 1.00 0.00 C ATOM 20 C ASP A 4 4.165 16.665 -7.151 1.00 0.00 C ATOM 21 O ASP A 4 5.026 17.160 -6.418 1.00 0.00 O ATOM 22 CB ASP A 4 4.088 18.009 -9.314 1.00 0.00 C ATOM 23 CG ASP A 4 4.747 18.159 -10.695 1.00 0.00 C ATOM 24 OD1 ASP A 4 6.001 18.204 -10.765 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.026 18.263 -11.716 1.00 0.00 O ATOM 0 H ASP A 4 2.796 15.988 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 4 5.426 16.407 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.010 18.142 -9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.448 18.797 -8.653 1.00 0.00 H new ATOM 30 N CYS A 5 3.053 16.079 -6.668 1.00 0.00 N ATOM 31 CA CYS A 5 2.728 15.893 -5.257 1.00 0.00 C ATOM 32 C CYS A 5 3.774 15.020 -4.519 1.00 0.00 C ATOM 33 O CYS A 5 3.953 15.159 -3.307 1.00 0.00 O ATOM 34 CB CYS A 5 1.355 15.186 -5.115 1.00 0.00 C ATOM 35 SG CYS A 5 -0.109 16.194 -5.512 1.00 0.00 S ATOM 0 H CYS A 5 2.330 15.709 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 5 2.714 16.888 -4.812 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.353 14.308 -5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.258 14.828 -4.090 1.00 0.00 H new ATOM 0 HG CYS A 5 0.075 16.797 -6.649 1.00 0.00 H new ATOM 40 N VAL A 6 4.443 14.094 -5.223 1.00 0.00 N ATOM 41 CA VAL A 6 5.384 13.116 -4.643 1.00 0.00 C ATOM 42 C VAL A 6 6.841 13.414 -5.043 1.00 0.00 C ATOM 43 O VAL A 6 7.130 13.765 -6.189 1.00 0.00 O ATOM 44 CB VAL A 6 4.978 11.665 -4.997 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.522 11.369 -4.608 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.128 11.253 -6.466 1.00 0.00 C ATOM 0 H VAL A 6 4.344 14.000 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 6 5.327 13.216 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 6 5.695 11.085 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.276 10.341 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.397 11.507 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.858 12.049 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.813 10.217 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.507 11.897 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.171 11.352 -6.767 1.00 0.00 H new ATOM 56 N GLU A 7 7.785 13.262 -4.110 1.00 0.00 N ATOM 57 CA GLU A 7 9.228 13.445 -4.339 1.00 0.00 C ATOM 58 C GLU A 7 9.760 12.388 -5.330 1.00 0.00 C ATOM 59 O GLU A 7 10.553 12.706 -6.222 1.00 0.00 O ATOM 60 CB GLU A 7 9.974 13.390 -2.987 1.00 0.00 C ATOM 61 CG GLU A 7 11.496 13.454 -3.110 1.00 0.00 C ATOM 62 CD GLU A 7 12.192 13.251 -1.754 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.339 14.228 -0.981 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.637 12.108 -1.486 1.00 0.00 O ATOM 0 H GLU A 7 7.565 13.002 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 7 9.404 14.422 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.636 14.218 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.700 12.470 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.836 12.690 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.786 14.419 -3.526 1.00 0.00 H new ATOM 71 N LYS A 8 9.292 11.140 -5.190 1.00 0.00 N ATOM 72 CA LYS A 8 9.611 9.979 -6.026 1.00 0.00 C ATOM 73 C LYS A 8 8.318 9.240 -6.379 1.00 0.00 C ATOM 74 O LYS A 8 7.436 9.095 -5.533 1.00 0.00 O ATOM 75 CB LYS A 8 10.543 9.023 -5.256 1.00 0.00 C ATOM 76 CG LYS A 8 11.845 9.664 -4.746 1.00 0.00 C ATOM 77 CD LYS A 8 12.792 8.597 -4.177 1.00 0.00 C ATOM 78 CE LYS A 8 14.083 9.199 -3.604 1.00 0.00 C ATOM 79 NZ LYS A 8 13.904 9.765 -2.241 1.00 0.00 N ATOM 0 H LYS A 8 8.640 10.902 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 8 10.107 10.316 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.998 8.614 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.797 8.185 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.337 10.196 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.616 10.401 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.277 8.039 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.045 7.885 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.854 8.429 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.440 9.982 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.835 9.939 -1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.379 10.661 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.372 9.092 -1.653 1.00 0.00 H new ATOM 93 N GLU A 9 8.216 8.735 -7.606 1.00 0.00 N ATOM 94 CA GLU A 9 7.085 7.910 -8.052 1.00 0.00 C ATOM 95 C GLU A 9 7.305 6.461 -7.588 1.00 0.00 C ATOM 96 O GLU A 9 8.332 5.863 -7.918 1.00 0.00 O ATOM 97 CB GLU A 9 6.979 7.947 -9.589 1.00 0.00 C ATOM 98 CG GLU A 9 6.295 9.211 -10.118 1.00 0.00 C ATOM 99 CD GLU A 9 6.842 9.606 -11.504 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.305 9.130 -12.534 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.815 10.395 -11.575 1.00 0.00 O ATOM 0 H GLU A 9 8.920 8.886 -8.329 1.00 0.00 H new ATOM 0 HA GLU A 9 6.162 8.300 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.979 7.877 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.425 7.072 -9.929 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.220 9.045 -10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.449 10.031 -9.417 1.00 0.00 H new ATOM 108 N TYR A 10 6.351 5.895 -6.838 1.00 0.00 N ATOM 109 CA TYR A 10 6.406 4.519 -6.306 1.00 0.00 C ATOM 110 C TYR A 10 7.760 4.177 -5.642 1.00 0.00 C ATOM 111 O TYR A 10 8.454 3.250 -6.076 1.00 0.00 O ATOM 112 CB TYR A 10 5.982 3.492 -7.375 1.00 0.00 C ATOM 113 CG TYR A 10 4.620 3.710 -8.017 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.432 4.751 -8.951 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.536 2.868 -7.684 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.168 4.977 -9.519 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.263 3.103 -8.243 1.00 0.00 C ATOM 118 CZ TYR A 10 2.076 4.155 -9.166 1.00 0.00 C ATOM 119 OH TYR A 10 0.851 4.390 -9.712 1.00 0.00 O ATOM 0 H TYR A 10 5.498 6.389 -6.576 1.00 0.00 H new ATOM 0 HA TYR A 10 5.677 4.461 -5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.735 3.488 -8.163 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.991 2.501 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.266 5.378 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.682 2.044 -7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.031 5.781 -10.227 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.429 2.477 -7.964 1.00 0.00 H new ATOM 0 HH TYR A 10 0.208 3.736 -9.367 1.00 0.00 H new ATOM 129 N PRO A 11 8.158 4.917 -4.589 1.00 0.00 N ATOM 130 CA PRO A 11 9.426 4.698 -3.890 1.00 0.00 C ATOM 131 C PRO A 11 9.474 3.313 -3.234 1.00 0.00 C ATOM 132 O PRO A 11 8.461 2.831 -2.733 1.00 0.00 O ATOM 133 CB PRO A 11 9.480 5.803 -2.829 1.00 0.00 C ATOM 134 CG PRO A 11 8.016 6.119 -2.555 1.00 0.00 C ATOM 135 CD PRO A 11 7.415 5.999 -3.950 1.00 0.00 C ATOM 0 HA PRO A 11 10.275 4.733 -4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.992 5.466 -1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.017 6.679 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.568 5.415 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.883 7.116 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.350 5.772 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.518 6.931 -4.506 1.00 0.00 H new ATOM 143 N ASN A 12 10.635 2.661 -3.176 1.00 0.00 N ATOM 144 CA ASN A 12 10.735 1.384 -2.467 1.00 0.00 C ATOM 145 C ASN A 12 10.798 1.643 -0.952 1.00 0.00 C ATOM 146 O ASN A 12 11.403 2.626 -0.509 1.00 0.00 O ATOM 147 CB ASN A 12 11.958 0.599 -2.971 1.00 0.00 C ATOM 148 CG ASN A 12 11.896 0.260 -4.453 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.780 0.598 -5.226 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.858 -0.405 -4.910 1.00 0.00 N ATOM 0 H ASN A 12 11.503 2.986 -3.601 1.00 0.00 H new ATOM 0 HA ASN A 12 9.853 0.775 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.858 1.182 -2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.047 -0.325 -2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.796 -0.634 -5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.115 -0.692 -4.273 1.00 0.00 H new ATOM 157 N ARG A 13 10.178 0.771 -0.141 1.00 0.00 N ATOM 158 CA ARG A 13 10.116 0.919 1.331 1.00 0.00 C ATOM 159 C ARG A 13 10.835 -0.196 2.091 1.00 0.00 C ATOM 160 O ARG A 13 10.423 -0.595 3.180 1.00 0.00 O ATOM 161 CB ARG A 13 8.658 1.109 1.786 1.00 0.00 C ATOM 162 CG ARG A 13 7.885 2.266 1.138 1.00 0.00 C ATOM 163 CD ARG A 13 8.592 3.632 1.115 1.00 0.00 C ATOM 164 NE ARG A 13 9.131 4.023 2.434 1.00 0.00 N ATOM 165 CZ ARG A 13 10.377 4.346 2.737 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.356 4.298 1.878 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.672 4.726 3.948 1.00 0.00 N ATOM 0 H ARG A 13 9.702 -0.063 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 13 10.672 1.821 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.116 0.184 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.654 1.258 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.648 1.986 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.937 2.381 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.405 3.602 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.890 4.393 0.775 1.00 0.00 H new ATOM 0 HE ARG A 13 8.462 4.047 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.179 4.000 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.300 4.558 2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.943 4.774 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.632 4.976 4.184 1.00 0.00 H new ATOM 181 N GLY A 14 11.888 -0.733 1.475 1.00 0.00 N ATOM 182 CA GLY A 14 12.733 -1.818 1.990 1.00 0.00 C ATOM 183 C GLY A 14 12.027 -3.136 2.327 1.00 0.00 C ATOM 184 O GLY A 14 12.656 -3.990 2.953 1.00 0.00 O ATOM 0 H GLY A 14 12.193 -0.409 0.557 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.508 -2.026 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.236 -1.461 2.889 1.00 0.00 H new ATOM 188 N ASN A 15 10.765 -3.261 1.884 1.00 0.00 N ATOM 189 CA ASN A 15 9.774 -4.358 1.970 1.00 0.00 C ATOM 190 C ASN A 15 8.431 -3.997 2.662 1.00 0.00 C ATOM 191 O ASN A 15 7.536 -4.842 2.728 1.00 0.00 O ATOM 192 CB ASN A 15 10.350 -5.658 2.574 1.00 0.00 C ATOM 193 CG ASN A 15 10.452 -5.673 4.102 1.00 0.00 C ATOM 194 OD1 ASN A 15 10.389 -4.665 4.794 1.00 0.00 O ATOM 195 ND2 ASN A 15 10.570 -6.835 4.702 1.00 0.00 N ATOM 0 H ASN A 15 10.351 -2.476 1.380 1.00 0.00 H new ATOM 0 HA ASN A 15 9.535 -4.535 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.727 -6.495 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.343 -5.825 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.607 -6.882 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.625 -7.691 4.150 1.00 0.00 H new ATOM 202 N THR A 16 8.269 -2.782 3.196 1.00 0.00 N ATOM 203 CA THR A 16 7.062 -2.362 3.947 1.00 0.00 C ATOM 204 C THR A 16 5.798 -2.333 3.072 1.00 0.00 C ATOM 205 O THR A 16 5.738 -1.536 2.139 1.00 0.00 O ATOM 206 CB THR A 16 7.295 -0.975 4.579 1.00 0.00 C ATOM 207 OG1 THR A 16 8.429 -0.990 5.423 1.00 0.00 O ATOM 208 CG2 THR A 16 6.124 -0.480 5.422 1.00 0.00 C ATOM 0 H THR A 16 8.974 -2.049 3.123 1.00 0.00 H new ATOM 0 HA THR A 16 6.894 -3.105 4.726 1.00 0.00 H new ATOM 0 HB THR A 16 7.429 -0.304 3.731 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.238 -0.857 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.361 0.501 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.233 -0.406 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.940 -1.180 6.237 1.00 0.00 H new ATOM 216 N CYS A 17 4.780 -3.160 3.367 1.00 0.00 N ATOM 217 CA CYS A 17 3.517 -3.237 2.620 1.00 0.00 C ATOM 218 C CYS A 17 2.324 -2.976 3.562 1.00 0.00 C ATOM 219 O CYS A 17 2.032 -3.800 4.431 1.00 0.00 O ATOM 220 CB CYS A 17 3.405 -4.622 1.962 1.00 0.00 C ATOM 221 SG CYS A 17 4.797 -4.955 0.846 1.00 0.00 S ATOM 0 H CYS A 17 4.816 -3.810 4.153 1.00 0.00 H new ATOM 0 HA CYS A 17 3.502 -2.473 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.368 -5.389 2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.470 -4.685 1.405 1.00 0.00 H new ATOM 0 HG CYS A 17 5.911 -4.903 1.514 1.00 0.00 H new ATOM 227 N LEU A 18 1.660 -1.824 3.407 1.00 0.00 N ATOM 228 CA LEU A 18 0.564 -1.335 4.261 1.00 0.00 C ATOM 229 C LEU A 18 -0.748 -1.084 3.504 1.00 0.00 C ATOM 230 O LEU A 18 -0.764 -0.674 2.343 1.00 0.00 O ATOM 231 CB LEU A 18 1.021 -0.025 4.946 1.00 0.00 C ATOM 232 CG LEU A 18 1.725 -0.159 6.310 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.827 -1.213 6.354 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.339 1.189 6.693 1.00 0.00 C ATOM 0 H LEU A 18 1.880 -1.177 2.650 1.00 0.00 H new ATOM 0 HA LEU A 18 0.350 -2.118 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.695 0.496 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.146 0.612 5.077 1.00 0.00 H new ATOM 0 HG LEU A 18 0.954 -0.479 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.267 -1.238 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.405 -2.190 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.597 -0.965 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.839 1.100 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.063 1.487 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.553 1.941 6.759 1.00 0.00 H new ATOM 246 N GLU A 19 -1.851 -1.273 4.228 1.00 0.00 N ATOM 247 CA GLU A 19 -3.239 -1.034 3.814 1.00 0.00 C ATOM 248 C GLU A 19 -3.807 0.293 4.366 1.00 0.00 C ATOM 249 O GLU A 19 -4.981 0.592 4.143 1.00 0.00 O ATOM 250 CB GLU A 19 -4.126 -2.210 4.279 1.00 0.00 C ATOM 251 CG GLU A 19 -4.425 -2.325 5.785 1.00 0.00 C ATOM 252 CD GLU A 19 -3.211 -2.757 6.631 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.337 -1.903 6.918 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.131 -3.944 7.025 1.00 0.00 O ATOM 0 H GLU A 19 -1.798 -1.621 5.185 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.243 -0.958 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.078 -2.142 3.752 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.650 -3.137 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.785 -1.363 6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.232 -3.043 5.932 1.00 0.00 H new ATOM 261 N ASN A 20 -3.010 1.065 5.115 1.00 0.00 N ATOM 262 CA ASN A 20 -3.411 2.323 5.764 1.00 0.00 C ATOM 263 C ASN A 20 -2.311 3.405 5.725 1.00 0.00 C ATOM 264 O ASN A 20 -1.118 3.100 5.625 1.00 0.00 O ATOM 265 CB ASN A 20 -3.756 2.027 7.241 1.00 0.00 C ATOM 266 CG ASN A 20 -5.078 1.311 7.458 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.110 1.676 6.914 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.105 0.290 8.282 1.00 0.00 N ATOM 0 H ASN A 20 -2.035 0.824 5.293 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.268 2.712 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.957 1.423 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.775 2.968 7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.984 -0.194 8.465 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.247 -0.019 8.739 1.00 0.00 H new ATOM 275 N GLY A 21 -2.724 4.670 5.888 1.00 0.00 N ATOM 276 CA GLY A 21 -1.844 5.844 5.986 1.00 0.00 C ATOM 277 C GLY A 21 -1.594 6.608 4.677 1.00 0.00 C ATOM 278 O GLY A 21 -2.179 6.306 3.636 1.00 0.00 O ATOM 0 H GLY A 21 -3.712 4.912 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.273 6.536 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.882 5.521 6.384 1.00 0.00 H new ATOM 282 N SER A 22 -0.709 7.609 4.769 1.00 0.00 N ATOM 283 CA SER A 22 -0.231 8.496 3.692 1.00 0.00 C ATOM 284 C SER A 22 1.233 8.856 3.975 1.00 0.00 C ATOM 285 O SER A 22 1.547 9.358 5.059 1.00 0.00 O ATOM 286 CB SER A 22 -1.051 9.790 3.628 1.00 0.00 C ATOM 287 OG SER A 22 -2.364 9.551 3.142 1.00 0.00 O ATOM 0 H SER A 22 -0.274 7.840 5.662 1.00 0.00 H new ATOM 0 HA SER A 22 -0.335 7.976 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.105 10.237 4.621 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.548 10.509 2.982 1.00 0.00 H new ATOM 0 HG SER A 22 -2.316 9.198 2.229 1.00 0.00 H new ATOM 293 N PHE A 23 2.148 8.561 3.049 1.00 0.00 N ATOM 294 CA PHE A 23 3.596 8.736 3.238 1.00 0.00 C ATOM 295 C PHE A 23 4.120 10.181 3.154 1.00 0.00 C ATOM 296 O PHE A 23 4.703 10.612 2.158 1.00 0.00 O ATOM 297 CB PHE A 23 4.335 7.774 2.303 1.00 0.00 C ATOM 298 CG PHE A 23 5.826 7.595 2.546 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.382 7.685 3.839 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.666 7.292 1.458 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.763 7.517 4.027 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.052 7.145 1.644 1.00 0.00 C ATOM 303 CZ PHE A 23 8.606 7.297 2.926 1.00 0.00 C ATOM 0 H PHE A 23 1.904 8.188 2.132 1.00 0.00 H new ATOM 0 HA PHE A 23 3.808 8.485 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.859 6.796 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.196 8.121 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.743 7.884 4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.242 7.171 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.179 7.557 5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.689 6.916 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.676 7.245 3.064 1.00 0.00 H new ATOM 313 N LEU A 24 3.914 10.946 4.227 1.00 0.00 N ATOM 314 CA LEU A 24 4.287 12.360 4.339 1.00 0.00 C ATOM 315 C LEU A 24 5.748 12.705 3.979 1.00 0.00 C ATOM 316 O LEU A 24 6.017 13.806 3.500 1.00 0.00 O ATOM 317 CB LEU A 24 3.939 12.881 5.746 1.00 0.00 C ATOM 318 CG LEU A 24 2.486 12.662 6.219 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.253 13.427 7.521 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.437 13.117 5.201 1.00 0.00 C ATOM 0 H LEU A 24 3.468 10.588 5.071 1.00 0.00 H new ATOM 0 HA LEU A 24 3.698 12.868 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.607 12.403 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.151 13.950 5.777 1.00 0.00 H new ATOM 0 HG LEU A 24 2.368 11.587 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.227 13.273 7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.942 13.065 8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.424 14.490 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.439 12.933 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.559 14.182 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.565 12.560 4.273 1.00 0.00 H new ATOM 332 N LEU A 25 6.692 11.775 4.176 1.00 0.00 N ATOM 333 CA LEU A 25 8.110 11.959 3.821 1.00 0.00 C ATOM 334 C LEU A 25 8.363 11.969 2.297 1.00 0.00 C ATOM 335 O LEU A 25 9.374 12.518 1.857 1.00 0.00 O ATOM 336 CB LEU A 25 8.972 10.888 4.513 1.00 0.00 C ATOM 337 CG LEU A 25 9.010 10.964 6.053 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.952 9.890 6.601 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.498 12.317 6.578 1.00 0.00 C ATOM 0 H LEU A 25 6.493 10.864 4.590 1.00 0.00 H new ATOM 0 HA LEU A 25 8.399 12.947 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.601 9.905 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.992 10.968 4.137 1.00 0.00 H new ATOM 0 HG LEU A 25 7.984 10.815 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.976 9.948 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.597 8.905 6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.956 10.051 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.501 12.305 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.508 12.506 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.833 13.105 6.226 1.00 0.00 H new ATOM 351 N ASN A 26 7.442 11.428 1.489 1.00 0.00 N ATOM 352 CA ASN A 26 7.501 11.469 0.022 1.00 0.00 C ATOM 353 C ASN A 26 6.556 12.559 -0.498 1.00 0.00 C ATOM 354 O ASN A 26 6.867 13.211 -1.487 1.00 0.00 O ATOM 355 CB ASN A 26 7.118 10.091 -0.540 1.00 0.00 C ATOM 356 CG ASN A 26 7.314 9.997 -2.048 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.188 10.612 -2.627 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.540 9.221 -2.757 1.00 0.00 N ATOM 0 H ASN A 26 6.619 10.940 1.843 1.00 0.00 H new ATOM 0 HA ASN A 26 8.513 11.708 -0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.718 9.324 -0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.076 9.882 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.679 9.145 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.796 8.690 -2.303 1.00 0.00 H new ATOM 365 N PHE A 27 5.422 12.796 0.171 1.00 0.00 N ATOM 366 CA PHE A 27 4.511 13.883 -0.199 1.00 0.00 C ATOM 367 C PHE A 27 5.190 15.239 0.026 1.00 0.00 C ATOM 368 O PHE A 27 5.386 15.670 1.164 1.00 0.00 O ATOM 369 CB PHE A 27 3.196 13.812 0.584 1.00 0.00 C ATOM 370 CG PHE A 27 2.164 14.862 0.183 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.710 14.952 -1.150 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.633 15.739 1.149 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.710 15.879 -1.514 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.629 16.659 0.791 1.00 0.00 C ATOM 375 CZ PHE A 27 0.158 16.717 -0.532 1.00 0.00 C ATOM 0 H PHE A 27 5.113 12.247 0.974 1.00 0.00 H new ATOM 0 HA PHE A 27 4.272 13.771 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.760 12.822 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.414 13.922 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.134 14.303 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.996 15.706 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.373 15.943 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.219 17.324 1.537 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.630 17.408 -0.794 1.00 0.00 H new ATOM 385 N THR A 28 5.530 15.936 -1.054 1.00 0.00 N ATOM 386 CA THR A 28 6.172 17.268 -1.016 1.00 0.00 C ATOM 387 C THR A 28 5.146 18.406 -1.020 1.00 0.00 C ATOM 388 O THR A 28 5.510 19.580 -1.122 1.00 0.00 O ATOM 389 CB THR A 28 7.180 17.431 -2.171 1.00 0.00 C ATOM 390 OG1 THR A 28 6.674 16.964 -3.406 1.00 0.00 O ATOM 391 CG2 THR A 28 8.438 16.622 -1.870 1.00 0.00 C ATOM 0 H THR A 28 5.369 15.595 -2.002 1.00 0.00 H new ATOM 0 HA THR A 28 6.717 17.331 -0.074 1.00 0.00 H new ATOM 0 HB THR A 28 7.387 18.498 -2.252 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.349 17.091 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.150 16.738 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.888 16.980 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.177 15.569 -1.763 1.00 0.00 H new ATOM 399 N GLY A 29 3.861 18.060 -0.918 1.00 0.00 N ATOM 400 CA GLY A 29 2.734 18.979 -0.997 1.00 0.00 C ATOM 401 C GLY A 29 2.215 19.041 -2.437 1.00 0.00 C ATOM 402 O GLY A 29 2.986 18.845 -3.383 1.00 0.00 O ATOM 0 H GLY A 29 3.570 17.093 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.938 18.652 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.039 19.972 -0.668 1.00 0.00 H new ATOM 406 N CYS A 30 0.917 19.301 -2.582 1.00 0.00 N ATOM 407 CA CYS A 30 0.199 19.355 -3.848 1.00 0.00 C ATOM 408 C CYS A 30 0.822 20.294 -4.885 1.00 0.00 C ATOM 409 O CYS A 30 1.666 21.149 -4.587 1.00 0.00 O ATOM 410 CB CYS A 30 -1.273 19.734 -3.565 1.00 0.00 C ATOM 411 SG CYS A 30 -2.417 19.289 -4.937 1.00 0.00 S ATOM 0 H CYS A 30 0.312 19.488 -1.782 1.00 0.00 H new ATOM 0 HA CYS A 30 0.262 18.365 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.600 19.236 -2.653 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.336 20.807 -3.382 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.998 18.203 -5.516 1.00 0.00 H new ATOM 416 N ALA A 31 0.327 20.180 -6.106 1.00 0.00 N ATOM 417 CA ALA A 31 0.642 21.080 -7.206 1.00 0.00 C ATOM 418 C ALA A 31 -0.623 21.663 -7.862 1.00 0.00 C ATOM 419 O ALA A 31 -0.509 22.654 -8.594 1.00 0.00 O ATOM 420 CB ALA A 31 1.611 20.439 -8.202 1.00 0.00 C ATOM 0 H ALA A 31 -0.323 19.439 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 31 1.169 21.937 -6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.822 21.142 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.540 20.182 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.163 19.536 -8.616 1.00 0.00 H new ATOM 426 N VAL A 32 -1.825 21.147 -7.561 1.00 0.00 N ATOM 427 CA VAL A 32 -3.082 21.762 -8.012 1.00 0.00 C ATOM 428 C VAL A 32 -3.345 23.032 -7.183 1.00 0.00 C ATOM 429 O VAL A 32 -3.835 24.025 -7.733 1.00 0.00 O ATOM 430 CB VAL A 32 -4.280 20.780 -7.942 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.661 21.444 -8.093 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.213 19.734 -9.064 1.00 0.00 C ATOM 0 H VAL A 32 -1.952 20.302 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.977 22.029 -9.063 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.188 20.344 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.439 20.683 -8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.803 22.174 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.720 21.946 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.067 19.061 -8.986 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.234 20.236 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.290 19.161 -8.972 1.00 0.00 H new ATOM 442 N CYS A 33 -2.990 23.022 -5.891 1.00 0.00 N ATOM 443 CA CYS A 33 -3.179 24.123 -4.939 1.00 0.00 C ATOM 444 C CYS A 33 -1.944 24.513 -4.086 1.00 0.00 C ATOM 445 O CYS A 33 -1.926 25.613 -3.518 1.00 0.00 O ATOM 446 CB CYS A 33 -4.332 23.737 -4.011 1.00 0.00 C ATOM 447 SG CYS A 33 -3.837 22.340 -2.949 1.00 0.00 S ATOM 0 H CYS A 33 -2.544 22.211 -5.463 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.381 25.010 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.615 24.590 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.208 23.464 -4.600 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.380 21.373 -3.689 1.00 0.00 H new ATOM 452 N SER A 34 -0.917 23.655 -4.006 1.00 0.00 N ATOM 453 CA SER A 34 0.344 23.860 -3.258 1.00 0.00 C ATOM 454 C SER A 34 0.293 23.569 -1.733 1.00 0.00 C ATOM 455 O SER A 34 1.194 23.987 -0.995 1.00 0.00 O ATOM 456 CB SER A 34 0.968 25.233 -3.585 1.00 0.00 C ATOM 457 OG SER A 34 2.385 25.208 -3.481 1.00 0.00 O ATOM 0 H SER A 34 -0.938 22.753 -4.482 1.00 0.00 H new ATOM 0 HA SER A 34 1.010 23.079 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.683 25.530 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.567 25.985 -2.906 1.00 0.00 H new ATOM 0 HG SER A 34 2.643 24.788 -2.634 1.00 0.00 H new ATOM 463 N LYS A 35 -0.720 22.855 -1.210 1.00 0.00 N ATOM 464 CA LYS A 35 -0.830 22.517 0.233 1.00 0.00 C ATOM 465 C LYS A 35 -0.033 21.262 0.622 1.00 0.00 C ATOM 466 O LYS A 35 0.023 20.300 -0.139 1.00 0.00 O ATOM 467 CB LYS A 35 -2.307 22.305 0.601 1.00 0.00 C ATOM 468 CG LYS A 35 -3.060 23.638 0.765 1.00 0.00 C ATOM 469 CD LYS A 35 -3.549 23.825 2.203 1.00 0.00 C ATOM 470 CE LYS A 35 -4.143 25.228 2.379 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.548 25.481 3.787 1.00 0.00 N ATOM 0 H LYS A 35 -1.490 22.492 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.405 23.356 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.791 21.709 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.371 21.736 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.405 24.465 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.910 23.665 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.300 23.071 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.722 23.682 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.411 25.974 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.008 25.342 1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.412 26.059 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.730 24.575 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.786 25.986 4.282 1.00 0.00 H new ATOM 485 N ARG A 36 0.524 21.229 1.841 1.00 0.00 N ATOM 486 CA ARG A 36 1.247 20.076 2.431 1.00 0.00 C ATOM 487 C ARG A 36 0.559 19.630 3.733 1.00 0.00 C ATOM 488 O ARG A 36 -0.223 20.394 4.291 1.00 0.00 O ATOM 489 CB ARG A 36 2.739 20.395 2.596 1.00 0.00 C ATOM 490 CG ARG A 36 3.547 19.108 2.845 1.00 0.00 C ATOM 491 CD ARG A 36 5.029 19.297 2.550 1.00 0.00 C ATOM 492 NE ARG A 36 5.741 18.010 2.684 1.00 0.00 N ATOM 493 CZ ARG A 36 6.844 17.735 3.355 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.543 18.649 3.965 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.260 16.504 3.419 1.00 0.00 N ATOM 0 H ARG A 36 0.486 22.030 2.472 1.00 0.00 H new ATOM 0 HA ARG A 36 1.201 19.225 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.110 20.896 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.879 21.085 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.421 18.796 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.153 18.306 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.160 19.691 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.454 20.030 3.236 1.00 0.00 H new ATOM 0 HE ARG A 36 5.322 17.223 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.244 19.624 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.389 18.390 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.735 15.763 2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.111 16.279 3.935 1.00 0.00 H new ATOM 509 N ASP A 37 0.811 18.397 4.192 1.00 0.00 N ATOM 510 CA ASP A 37 0.188 17.754 5.374 1.00 0.00 C ATOM 511 C ASP A 37 -1.359 17.775 5.385 1.00 0.00 C ATOM 512 O ASP A 37 -2.024 17.724 6.422 1.00 0.00 O ATOM 513 CB ASP A 37 0.848 18.196 6.686 1.00 0.00 C ATOM 514 CG ASP A 37 0.681 19.676 7.089 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.323 20.032 7.751 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.618 20.473 6.835 1.00 0.00 O ATOM 0 H ASP A 37 1.486 17.785 3.733 1.00 0.00 H new ATOM 0 HA ASP A 37 0.404 16.690 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.449 17.578 7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.915 17.981 6.618 1.00 0.00 H new ATOM 521 N PHE A 38 -1.916 17.831 4.179 1.00 0.00 N ATOM 522 CA PHE A 38 -3.330 17.910 3.827 1.00 0.00 C ATOM 523 C PHE A 38 -3.746 16.743 2.927 1.00 0.00 C ATOM 524 O PHE A 38 -3.556 16.775 1.712 1.00 0.00 O ATOM 525 CB PHE A 38 -3.635 19.265 3.163 1.00 0.00 C ATOM 526 CG PHE A 38 -4.047 20.383 4.108 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.277 20.738 5.233 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.254 21.064 3.862 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.696 21.784 6.077 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.672 22.115 4.697 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.891 22.475 5.809 1.00 0.00 C ATOM 0 H PHE A 38 -1.332 17.821 3.343 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.917 17.835 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.751 19.586 2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.430 19.120 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.362 20.206 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.867 20.775 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.097 22.057 6.934 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.590 22.644 4.485 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.208 23.280 6.456 1.00 0.00 H new ATOM 541 N MET A 39 -4.353 15.719 3.528 1.00 0.00 N ATOM 542 CA MET A 39 -4.873 14.552 2.800 1.00 0.00 C ATOM 543 C MET A 39 -5.933 13.734 3.551 1.00 0.00 C ATOM 544 O MET A 39 -5.935 13.632 4.779 1.00 0.00 O ATOM 545 CB MET A 39 -3.755 13.610 2.307 1.00 0.00 C ATOM 546 CG MET A 39 -2.651 13.324 3.337 1.00 0.00 C ATOM 547 SD MET A 39 -1.018 14.007 2.941 1.00 0.00 S ATOM 548 CE MET A 39 -0.656 13.093 1.415 1.00 0.00 C ATOM 0 H MET A 39 -4.500 15.672 4.536 1.00 0.00 H new ATOM 0 HA MET A 39 -5.373 15.003 1.943 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.204 12.664 2.004 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.299 14.045 1.418 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.967 13.720 4.302 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.556 12.244 3.452 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.409 12.864 1.372 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.228 12.165 1.402 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.931 13.701 0.553 1.00 0.00 H new ATOM 558 N LEU A 40 -6.803 13.127 2.743 1.00 0.00 N ATOM 559 CA LEU A 40 -7.935 12.241 3.030 1.00 0.00 C ATOM 560 C LEU A 40 -7.798 10.952 2.196 1.00 0.00 C ATOM 561 O LEU A 40 -7.045 10.906 1.221 1.00 0.00 O ATOM 562 CB LEU A 40 -9.241 12.981 2.639 1.00 0.00 C ATOM 563 CG LEU A 40 -9.953 13.846 3.696 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.971 13.011 4.479 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.042 14.492 4.725 1.00 0.00 C ATOM 0 H LEU A 40 -6.719 13.264 1.736 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.956 11.979 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.014 13.622 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.953 12.232 2.293 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.416 14.640 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.464 13.640 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.716 12.608 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.459 12.190 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.640 15.079 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.503 13.718 5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.329 15.144 4.221 1.00 0.00 H new ATOM 577 N ILE A 41 -8.573 9.922 2.545 1.00 0.00 N ATOM 578 CA ILE A 41 -8.666 8.636 1.842 1.00 0.00 C ATOM 579 C ILE A 41 -10.151 8.381 1.577 1.00 0.00 C ATOM 580 O ILE A 41 -10.985 8.552 2.470 1.00 0.00 O ATOM 581 CB ILE A 41 -8.033 7.502 2.687 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.497 7.684 2.762 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.393 6.105 2.126 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.810 6.774 3.790 1.00 0.00 C ATOM 0 H ILE A 41 -9.181 9.962 3.363 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.115 8.661 0.902 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.444 7.564 3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.070 7.490 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.276 8.723 3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.932 5.335 2.744 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.475 5.977 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.026 6.018 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.736 6.962 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.207 6.982 4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.998 5.731 3.536 1.00 0.00 H new ATOM 596 N THR A 42 -10.485 7.964 0.356 1.00 0.00 N ATOM 597 CA THR A 42 -11.868 7.649 -0.043 1.00 0.00 C ATOM 598 C THR A 42 -11.916 6.523 -1.077 1.00 0.00 C ATOM 599 O THR A 42 -10.876 6.090 -1.580 1.00 0.00 O ATOM 600 CB THR A 42 -12.605 8.916 -0.526 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.978 8.764 -0.234 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.501 9.189 -2.029 1.00 0.00 C ATOM 0 H THR A 42 -9.805 7.833 -0.392 1.00 0.00 H new ATOM 0 HA THR A 42 -12.395 7.283 0.838 1.00 0.00 H new ATOM 0 HB THR A 42 -12.130 9.751 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.466 9.560 -0.532 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.050 10.099 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.454 9.312 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.925 8.351 -2.581 1.00 0.00 H new ATOM 610 N ASN A 43 -13.123 6.050 -1.403 1.00 0.00 N ATOM 611 CA ASN A 43 -13.434 4.989 -2.382 1.00 0.00 C ATOM 612 C ASN A 43 -12.755 3.623 -2.104 1.00 0.00 C ATOM 613 O ASN A 43 -12.695 2.753 -2.972 1.00 0.00 O ATOM 614 CB ASN A 43 -13.307 5.563 -3.820 1.00 0.00 C ATOM 615 CG ASN A 43 -12.147 5.068 -4.675 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.329 4.538 -5.764 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.929 5.251 -4.232 1.00 0.00 N ATOM 0 H ASN A 43 -13.967 6.418 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.476 4.694 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.233 5.346 -4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.230 6.648 -3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.132 4.952 -4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.777 5.692 -3.325 1.00 0.00 H new ATOM 624 N LYS A 44 -12.246 3.447 -0.877 1.00 0.00 N ATOM 625 CA LYS A 44 -11.534 2.265 -0.380 1.00 0.00 C ATOM 626 C LYS A 44 -12.311 0.962 -0.558 1.00 0.00 C ATOM 627 O LYS A 44 -13.340 0.742 0.087 1.00 0.00 O ATOM 628 CB LYS A 44 -11.169 2.496 1.092 1.00 0.00 C ATOM 629 CG LYS A 44 -10.127 1.484 1.595 1.00 0.00 C ATOM 630 CD LYS A 44 -9.513 1.915 2.931 1.00 0.00 C ATOM 631 CE LYS A 44 -8.285 1.057 3.240 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.582 1.548 4.449 1.00 0.00 N ATOM 0 H LYS A 44 -12.326 4.171 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.633 2.142 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.780 3.507 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.068 2.424 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.595 0.506 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.338 1.375 0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.231 2.967 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.249 1.813 3.729 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.589 0.021 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.604 1.071 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.610 1.179 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.557 2.588 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.085 1.223 5.299 1.00 0.00 H new ATOM 646 N SER A 45 -11.786 0.101 -1.419 1.00 0.00 N ATOM 647 CA SER A 45 -12.310 -1.232 -1.708 1.00 0.00 C ATOM 648 C SER A 45 -11.436 -2.340 -1.119 1.00 0.00 C ATOM 649 O SER A 45 -10.232 -2.173 -0.907 1.00 0.00 O ATOM 650 CB SER A 45 -12.453 -1.422 -3.223 1.00 0.00 C ATOM 651 OG SER A 45 -13.542 -0.655 -3.715 1.00 0.00 O ATOM 0 H SER A 45 -10.949 0.319 -1.959 1.00 0.00 H new ATOM 0 HA SER A 45 -13.289 -1.307 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.532 -1.121 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.609 -2.476 -3.451 1.00 0.00 H new ATOM 0 HG SER A 45 -13.622 -0.784 -4.683 1.00 0.00 H new ATOM 657 N LEU A 46 -12.054 -3.500 -0.896 1.00 0.00 N ATOM 658 CA LEU A 46 -11.427 -4.718 -0.388 1.00 0.00 C ATOM 659 C LEU A 46 -11.970 -5.936 -1.149 1.00 0.00 C ATOM 660 O LEU A 46 -13.170 -6.027 -1.426 1.00 0.00 O ATOM 661 CB LEU A 46 -11.619 -4.820 1.136 1.00 0.00 C ATOM 662 CG LEU A 46 -11.184 -6.181 1.740 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.586 -5.980 3.134 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.345 -7.169 1.890 1.00 0.00 C ATOM 0 H LEU A 46 -13.051 -3.620 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.351 -4.687 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.051 -4.023 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.670 -4.650 1.371 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.454 -6.591 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.286 -6.944 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.715 -5.328 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.330 -5.524 3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.976 -8.101 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.103 -6.743 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.783 -7.367 0.912 1.00 0.00 H new ATOM 676 N LYS A 47 -11.069 -6.856 -1.497 1.00 0.00 N ATOM 677 CA LYS A 47 -11.325 -8.086 -2.250 1.00 0.00 C ATOM 678 C LYS A 47 -10.678 -9.286 -1.578 1.00 0.00 C ATOM 679 O LYS A 47 -9.615 -9.152 -0.981 1.00 0.00 O ATOM 680 CB LYS A 47 -10.800 -7.933 -3.684 1.00 0.00 C ATOM 681 CG LYS A 47 -11.759 -8.507 -4.730 1.00 0.00 C ATOM 682 CD LYS A 47 -11.308 -8.148 -6.154 1.00 0.00 C ATOM 683 CE LYS A 47 -12.302 -8.644 -7.213 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.134 -10.087 -7.526 1.00 0.00 N ATOM 0 H LYS A 47 -10.085 -6.758 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.401 -8.257 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.631 -6.877 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.835 -8.433 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.810 -9.591 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.764 -8.122 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.198 -7.067 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.327 -8.584 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.319 -8.469 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.175 -8.061 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.892 -10.393 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.212 -10.238 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.180 -10.641 -6.647 1.00 0.00 H new ATOM 698 N GLU A 48 -11.298 -10.454 -1.670 1.00 0.00 N ATOM 699 CA GLU A 48 -10.717 -11.684 -1.114 1.00 0.00 C ATOM 700 C GLU A 48 -10.920 -12.870 -2.072 1.00 0.00 C ATOM 701 O GLU A 48 -12.052 -13.292 -2.324 1.00 0.00 O ATOM 702 CB GLU A 48 -11.363 -11.992 0.250 1.00 0.00 C ATOM 703 CG GLU A 48 -11.161 -10.914 1.322 1.00 0.00 C ATOM 704 CD GLU A 48 -11.800 -11.359 2.653 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.157 -12.110 3.426 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.963 -10.974 2.933 1.00 0.00 O ATOM 0 H GLU A 48 -12.203 -10.583 -2.123 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.646 -11.532 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.433 -12.141 0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.959 -12.933 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.096 -10.729 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.606 -9.975 0.992 1.00 0.00 H new ATOM 713 N GLU A 49 -9.822 -13.433 -2.588 1.00 0.00 N ATOM 714 CA GLU A 49 -9.807 -14.631 -3.441 1.00 0.00 C ATOM 715 C GLU A 49 -9.016 -15.795 -2.829 1.00 0.00 C ATOM 716 O GLU A 49 -7.806 -15.690 -2.668 1.00 0.00 O ATOM 717 CB GLU A 49 -9.249 -14.317 -4.838 1.00 0.00 C ATOM 718 CG GLU A 49 -9.923 -13.147 -5.577 1.00 0.00 C ATOM 719 CD GLU A 49 -11.441 -13.308 -5.791 1.00 0.00 C ATOM 720 OE1 GLU A 49 -11.933 -14.445 -5.991 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.142 -12.267 -5.832 1.00 0.00 O ATOM 0 H GLU A 49 -8.889 -13.057 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.848 -14.943 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.185 -14.099 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.338 -15.212 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.744 -12.230 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.444 -13.025 -6.548 1.00 0.00 H new ATOM 728 N ASP A 50 -9.638 -16.953 -2.612 1.00 0.00 N ATOM 729 CA ASP A 50 -8.991 -18.220 -2.191 1.00 0.00 C ATOM 730 C ASP A 50 -7.934 -18.171 -1.047 1.00 0.00 C ATOM 731 O ASP A 50 -7.094 -19.065 -0.916 1.00 0.00 O ATOM 732 CB ASP A 50 -8.416 -18.856 -3.474 1.00 0.00 C ATOM 733 CG ASP A 50 -8.138 -20.367 -3.351 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.019 -21.112 -2.854 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.064 -20.828 -3.809 1.00 0.00 O ATOM 0 H ASP A 50 -10.647 -17.051 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.766 -18.817 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.114 -18.691 -4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.489 -18.346 -3.737 1.00 0.00 H new ATOM 740 N GLY A 51 -7.948 -17.117 -0.227 1.00 0.00 N ATOM 741 CA GLY A 51 -6.998 -16.849 0.872 1.00 0.00 C ATOM 742 C GLY A 51 -6.217 -15.537 0.694 1.00 0.00 C ATOM 743 O GLY A 51 -5.734 -14.967 1.674 1.00 0.00 O ATOM 0 H GLY A 51 -8.655 -16.387 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.544 -16.814 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.293 -17.677 0.943 1.00 0.00 H new ATOM 747 N GLU A 52 -6.123 -15.030 -0.537 1.00 0.00 N ATOM 748 CA GLU A 52 -5.522 -13.737 -0.874 1.00 0.00 C ATOM 749 C GLU A 52 -6.481 -12.616 -0.455 1.00 0.00 C ATOM 750 O GLU A 52 -7.682 -12.693 -0.712 1.00 0.00 O ATOM 751 CB GLU A 52 -5.222 -13.672 -2.390 1.00 0.00 C ATOM 752 CG GLU A 52 -4.676 -12.326 -2.909 1.00 0.00 C ATOM 753 CD GLU A 52 -4.490 -12.280 -4.446 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.940 -13.196 -5.180 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.903 -11.290 -4.949 1.00 0.00 O ATOM 0 H GLU A 52 -6.476 -15.526 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.580 -13.614 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.501 -14.453 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.138 -13.905 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.357 -11.529 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.718 -12.124 -2.430 1.00 0.00 H new ATOM 762 N GLU A 53 -5.952 -11.555 0.147 1.00 0.00 N ATOM 763 CA GLU A 53 -6.683 -10.355 0.554 1.00 0.00 C ATOM 764 C GLU A 53 -6.119 -9.153 -0.207 1.00 0.00 C ATOM 765 O GLU A 53 -4.907 -8.945 -0.234 1.00 0.00 O ATOM 766 CB GLU A 53 -6.570 -10.127 2.072 1.00 0.00 C ATOM 767 CG GLU A 53 -7.181 -11.260 2.906 1.00 0.00 C ATOM 768 CD GLU A 53 -7.139 -10.932 4.413 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.845 -9.994 4.859 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.405 -11.614 5.170 1.00 0.00 O ATOM 0 H GLU A 53 -4.959 -11.504 0.375 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.739 -10.482 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.519 -10.017 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.064 -9.190 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.213 -11.427 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.638 -12.186 2.718 1.00 0.00 H new ATOM 777 N ILE A 54 -6.976 -8.349 -0.831 1.00 0.00 N ATOM 778 CA ILE A 54 -6.576 -7.193 -1.627 1.00 0.00 C ATOM 779 C ILE A 54 -7.263 -5.942 -1.087 1.00 0.00 C ATOM 780 O ILE A 54 -8.446 -5.983 -0.751 1.00 0.00 O ATOM 781 CB ILE A 54 -6.911 -7.407 -3.122 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.330 -8.722 -3.702 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.334 -6.223 -3.902 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.321 -9.896 -3.691 1.00 0.00 C ATOM 0 H ILE A 54 -7.986 -8.486 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.496 -7.066 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.995 -7.478 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.004 -8.543 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.445 -9.001 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.554 -6.344 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.782 -5.297 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.254 -6.184 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.842 -10.780 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.628 -10.103 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.196 -9.639 -4.287 1.00 0.00 H new ATOM 796 N VAL A 55 -6.539 -4.824 -1.035 1.00 0.00 N ATOM 797 CA VAL A 55 -7.043 -3.519 -0.601 1.00 0.00 C ATOM 798 C VAL A 55 -6.611 -2.465 -1.613 1.00 0.00 C ATOM 799 O VAL A 55 -5.416 -2.232 -1.806 1.00 0.00 O ATOM 800 CB VAL A 55 -6.483 -3.164 0.790 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.057 -1.837 1.292 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.785 -4.256 1.823 1.00 0.00 C ATOM 0 H VAL A 55 -5.555 -4.800 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.131 -3.553 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.403 -3.077 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.645 -1.611 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.794 -1.040 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.142 -1.913 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.373 -3.966 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.864 -4.384 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.333 -5.195 1.503 1.00 0.00 H new ATOM 812 N THR A 56 -7.573 -1.810 -2.257 1.00 0.00 N ATOM 813 CA THR A 56 -7.317 -0.727 -3.223 1.00 0.00 C ATOM 814 C THR A 56 -8.005 0.581 -2.818 1.00 0.00 C ATOM 815 O THR A 56 -9.175 0.573 -2.431 1.00 0.00 O ATOM 816 CB THR A 56 -7.619 -1.166 -4.664 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.995 -1.420 -4.854 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.865 -2.453 -5.030 1.00 0.00 C ATOM 0 H THR A 56 -8.564 -2.012 -2.127 1.00 0.00 H new ATOM 0 HA THR A 56 -6.249 -0.509 -3.199 1.00 0.00 H new ATOM 0 HB THR A 56 -7.296 -0.342 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.152 -1.695 -5.781 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.102 -2.734 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.792 -2.285 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.165 -3.255 -4.355 1.00 0.00 H new ATOM 826 N TYR A 57 -7.309 1.718 -2.897 1.00 0.00 N ATOM 827 CA TYR A 57 -7.865 3.042 -2.568 1.00 0.00 C ATOM 828 C TYR A 57 -7.161 4.204 -3.289 1.00 0.00 C ATOM 829 O TYR A 57 -6.313 4.005 -4.163 1.00 0.00 O ATOM 830 CB TYR A 57 -7.909 3.247 -1.046 1.00 0.00 C ATOM 831 CG TYR A 57 -6.606 3.270 -0.262 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.105 2.069 0.278 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.967 4.489 0.040 1.00 0.00 C ATOM 834 CE1 TYR A 57 -5.000 2.091 1.151 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.859 4.514 0.909 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.384 3.317 1.486 1.00 0.00 C ATOM 837 OH TYR A 57 -3.367 3.343 2.393 1.00 0.00 O ATOM 0 H TYR A 57 -6.334 1.750 -3.194 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.887 3.054 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.422 4.190 -0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.530 2.456 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.570 1.128 0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.328 5.408 -0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.623 1.168 1.565 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.372 5.451 1.134 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.055 4.265 2.508 1.00 0.00 H new ATOM 847 N ASP A 58 -7.485 5.434 -2.884 1.00 0.00 N ATOM 848 CA ASP A 58 -6.955 6.670 -3.451 1.00 0.00 C ATOM 849 C ASP A 58 -6.724 7.682 -2.310 1.00 0.00 C ATOM 850 O ASP A 58 -7.374 7.614 -1.260 1.00 0.00 O ATOM 851 CB ASP A 58 -8.029 7.280 -4.392 1.00 0.00 C ATOM 852 CG ASP A 58 -8.311 6.546 -5.720 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.591 5.325 -5.727 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.344 7.223 -6.774 1.00 0.00 O ATOM 0 H ASP A 58 -8.147 5.599 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.028 6.463 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.965 7.344 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.728 8.301 -4.629 1.00 0.00 H new ATOM 859 N HIS A 59 -5.854 8.665 -2.549 1.00 0.00 N ATOM 860 CA HIS A 59 -5.543 9.763 -1.623 1.00 0.00 C ATOM 861 C HIS A 59 -6.069 11.067 -2.234 1.00 0.00 C ATOM 862 O HIS A 59 -5.978 11.258 -3.447 1.00 0.00 O ATOM 863 CB HIS A 59 -4.031 9.877 -1.365 1.00 0.00 C ATOM 864 CG HIS A 59 -3.339 8.632 -0.849 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.955 8.387 0.455 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.759 7.653 -1.618 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.153 7.308 0.459 1.00 0.00 C ATOM 868 NE2 HIS A 59 -2.002 6.822 -0.782 1.00 0.00 N ATOM 0 H HIS A 59 -5.327 8.723 -3.421 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.020 9.565 -0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.547 10.176 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.867 10.681 -0.648 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.868 7.542 -2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.693 6.889 1.342 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.448 6.012 -1.060 1.00 0.00 H new ATOM 876 N LEU A 60 -6.620 11.969 -1.423 1.00 0.00 N ATOM 877 CA LEU A 60 -7.242 13.221 -1.865 1.00 0.00 C ATOM 878 C LEU A 60 -6.757 14.398 -1.029 1.00 0.00 C ATOM 879 O LEU A 60 -6.745 14.310 0.196 1.00 0.00 O ATOM 880 CB LEU A 60 -8.780 13.157 -1.742 1.00 0.00 C ATOM 881 CG LEU A 60 -9.499 12.285 -2.782 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.543 10.808 -2.393 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.957 12.727 -2.913 1.00 0.00 C ATOM 0 H LEU A 60 -6.648 11.847 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.958 13.358 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.031 12.785 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.174 14.171 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.936 12.405 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.063 10.243 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.526 10.429 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.071 10.697 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.461 12.104 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.457 12.623 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.994 13.769 -3.230 1.00 0.00 H new ATOM 895 N CYS A 61 -6.406 15.500 -1.683 1.00 0.00 N ATOM 896 CA CYS A 61 -5.969 16.736 -1.044 1.00 0.00 C ATOM 897 C CYS A 61 -7.065 17.284 -0.113 1.00 0.00 C ATOM 898 O CYS A 61 -8.193 17.532 -0.540 1.00 0.00 O ATOM 899 CB CYS A 61 -5.600 17.693 -2.191 1.00 0.00 C ATOM 900 SG CYS A 61 -4.605 19.113 -1.642 1.00 0.00 S ATOM 0 H CYS A 61 -6.418 15.560 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.105 16.590 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.048 17.142 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.514 18.057 -2.661 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.755 20.097 -2.478 1.00 0.00 H new ATOM 905 N LYS A 62 -6.775 17.494 1.175 1.00 0.00 N ATOM 906 CA LYS A 62 -7.756 18.054 2.131 1.00 0.00 C ATOM 907 C LYS A 62 -8.183 19.489 1.739 1.00 0.00 C ATOM 908 O LYS A 62 -9.186 19.989 2.250 1.00 0.00 O ATOM 909 CB LYS A 62 -7.162 17.953 3.555 1.00 0.00 C ATOM 910 CG LYS A 62 -7.818 18.761 4.689 1.00 0.00 C ATOM 911 CD LYS A 62 -9.246 18.318 5.016 1.00 0.00 C ATOM 912 CE LYS A 62 -9.853 19.267 6.057 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.231 18.861 6.443 1.00 0.00 N ATOM 0 H LYS A 62 -5.866 17.286 1.588 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.679 17.475 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.178 16.903 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.115 18.252 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.206 18.673 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.829 19.815 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.854 18.318 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.242 17.297 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.219 19.287 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.872 20.281 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.605 19.528 7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.843 18.867 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.210 17.904 6.849 1.00 0.00 H new ATOM 927 N ASN A 63 -7.466 20.144 0.818 1.00 0.00 N ATOM 928 CA ASN A 63 -7.755 21.496 0.357 1.00 0.00 C ATOM 929 C ASN A 63 -8.607 21.490 -0.925 1.00 0.00 C ATOM 930 O ASN A 63 -9.773 21.894 -0.877 1.00 0.00 O ATOM 931 CB ASN A 63 -6.433 22.251 0.174 1.00 0.00 C ATOM 932 CG ASN A 63 -6.674 23.652 -0.355 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.365 24.457 0.257 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.121 23.999 -1.488 1.00 0.00 N ATOM 0 H ASN A 63 -6.650 19.733 0.365 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.353 22.014 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.906 22.304 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.790 21.704 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.266 24.938 -1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.545 23.331 -2.000 1.00 0.00 H new ATOM 941 N CYS A 64 -8.053 21.030 -2.053 1.00 0.00 N ATOM 942 CA CYS A 64 -8.729 21.010 -3.352 1.00 0.00 C ATOM 943 C CYS A 64 -9.471 19.693 -3.682 1.00 0.00 C ATOM 944 O CYS A 64 -10.183 19.624 -4.691 1.00 0.00 O ATOM 945 CB CYS A 64 -7.722 21.424 -4.448 1.00 0.00 C ATOM 946 SG CYS A 64 -6.219 20.382 -4.541 1.00 0.00 S ATOM 0 H CYS A 64 -7.105 20.655 -2.087 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.539 21.738 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.226 21.397 -5.414 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.421 22.457 -4.274 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.199 21.050 -4.090 1.00 0.00 H new ATOM 951 N HIS A 65 -9.342 18.655 -2.843 1.00 0.00 N ATOM 952 CA HIS A 65 -9.934 17.308 -3.015 1.00 0.00 C ATOM 953 C HIS A 65 -9.625 16.626 -4.353 1.00 0.00 C ATOM 954 O HIS A 65 -10.279 15.660 -4.750 1.00 0.00 O ATOM 955 CB HIS A 65 -11.401 17.272 -2.566 1.00 0.00 C ATOM 956 CG HIS A 65 -11.546 17.580 -1.094 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.849 18.815 -0.546 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.324 16.706 -0.061 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.826 18.693 0.796 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.521 17.416 1.112 1.00 0.00 N ATOM 0 H HIS A 65 -8.798 18.729 -1.984 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.406 16.651 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.976 17.993 -3.146 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.821 16.288 -2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.049 15.665 -0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.020 19.486 1.503 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.448 17.038 2.056 1.00 0.00 H new ATOM 969 N HIS A 66 -8.564 17.078 -5.011 1.00 0.00 N ATOM 970 CA HIS A 66 -7.978 16.443 -6.182 1.00 0.00 C ATOM 971 C HIS A 66 -7.345 15.114 -5.724 1.00 0.00 C ATOM 972 O HIS A 66 -6.833 15.027 -4.602 1.00 0.00 O ATOM 973 CB HIS A 66 -6.930 17.397 -6.745 1.00 0.00 C ATOM 974 CG HIS A 66 -5.614 16.780 -7.089 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.257 16.207 -8.288 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.480 16.956 -6.346 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.914 16.145 -8.308 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.408 16.641 -7.164 1.00 0.00 N ATOM 0 H HIS A 66 -8.072 17.927 -4.733 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.714 16.231 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.336 17.867 -7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.760 18.191 -6.018 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.890 15.890 -9.022 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.430 17.279 -5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.326 15.753 -9.125 1.00 0.00 H new ATOM 986 N VAL A 67 -7.354 14.081 -6.571 1.00 0.00 N ATOM 987 CA VAL A 67 -6.730 12.795 -6.239 1.00 0.00 C ATOM 988 C VAL A 67 -5.205 12.909 -6.356 1.00 0.00 C ATOM 989 O VAL A 67 -4.653 12.928 -7.458 1.00 0.00 O ATOM 990 CB VAL A 67 -7.289 11.654 -7.104 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.600 10.329 -6.770 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.794 11.463 -6.866 1.00 0.00 C ATOM 0 H VAL A 67 -7.787 14.109 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.975 12.546 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.105 11.929 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.012 9.537 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.530 10.418 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.766 10.087 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.161 10.649 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.969 11.222 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.322 12.382 -7.120 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.540 12.970 -5.200 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.081 13.074 -5.059 1.00 0.00 C ATOM 1004 C ILE A 68 -2.375 11.850 -5.661 1.00 0.00 C ATOM 1005 O ILE A 68 -1.378 11.977 -6.378 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.736 13.231 -3.558 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.148 14.661 -3.150 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.251 12.948 -3.231 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.973 14.956 -1.665 1.00 0.00 C ATOM 0 H ILE A 68 -5.019 12.948 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.727 13.947 -5.608 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.283 12.484 -2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.558 15.376 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.192 14.819 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.083 13.077 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.004 11.925 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.618 13.642 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.284 15.980 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.584 14.267 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.925 14.833 -1.391 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.885 10.653 -5.347 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.297 9.374 -5.739 1.00 0.00 C ATOM 1023 C ALA A 69 -3.288 8.198 -5.608 1.00 0.00 C ATOM 1024 O ALA A 69 -4.337 8.321 -4.969 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.083 9.162 -4.816 1.00 0.00 C ATOM 0 H ALA A 69 -3.739 10.548 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.014 9.401 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.599 8.217 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.374 9.979 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.415 9.140 -3.778 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.921 7.037 -6.167 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.653 5.762 -6.073 1.00 0.00 C ATOM 1033 C ARG A 70 -2.787 4.741 -5.337 1.00 0.00 C ATOM 1034 O ARG A 70 -1.585 4.675 -5.596 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.007 5.200 -7.457 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.347 5.693 -8.003 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.292 7.097 -8.612 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.654 7.540 -8.943 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.100 8.161 -10.014 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.335 8.472 -11.023 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.358 8.486 -10.073 1.00 0.00 N ATOM 0 H ARG A 70 -2.069 6.955 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.582 5.950 -5.534 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.219 5.469 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.027 4.112 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.699 4.993 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.081 5.686 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.832 7.792 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.671 7.093 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.360 7.335 -8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.343 8.233 -11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.728 8.954 -11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.980 8.259 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.722 8.968 -10.895 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.424 3.944 -4.481 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.805 2.934 -3.616 1.00 0.00 C ATOM 1057 C HIS A 71 -3.389 1.540 -3.829 1.00 0.00 C ATOM 1058 O HIS A 71 -4.605 1.359 -3.923 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.072 3.323 -2.153 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.164 2.668 -1.129 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.180 3.363 -0.426 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.134 1.350 -0.738 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.577 2.464 0.364 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.145 1.254 0.218 1.00 0.00 N ATOM 0 H HIS A 71 -4.436 3.985 -4.364 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.743 2.903 -3.858 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.976 4.405 -2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.105 3.072 -1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.760 0.550 -1.106 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.249 2.681 1.025 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.888 0.409 0.728 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.527 0.533 -3.838 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.900 -0.871 -3.914 1.00 0.00 C ATOM 1074 C GLU A 72 -1.995 -1.676 -2.975 1.00 0.00 C ATOM 1075 O GLU A 72 -0.771 -1.561 -3.013 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.795 -1.362 -5.370 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.852 -2.891 -5.475 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.031 -3.340 -6.938 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.191 -3.436 -7.410 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.017 -3.602 -7.628 1.00 0.00 O ATOM 0 H GLU A 72 -1.518 0.676 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.934 -1.008 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.606 -0.929 -5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.862 -1.005 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.936 -3.321 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.677 -3.270 -4.872 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.599 -2.526 -2.153 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.919 -3.469 -1.278 1.00 0.00 C ATOM 1089 C TYR A 73 -2.575 -4.829 -1.502 1.00 0.00 C ATOM 1090 O TYR A 73 -3.795 -4.958 -1.414 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.022 -3.027 0.185 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.807 -4.144 1.196 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.554 -4.777 1.352 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.903 -4.585 1.959 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.392 -5.815 2.287 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.742 -5.605 2.912 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.480 -6.209 3.097 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.311 -7.164 4.052 1.00 0.00 O ATOM 0 H TYR A 73 -3.615 -2.578 -2.076 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.854 -3.519 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.288 -2.242 0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.006 -2.588 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.285 -4.462 0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.875 -4.137 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.563 -6.310 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.586 -5.927 3.504 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.548 -7.732 3.815 1.00 0.00 H new ATOM 1108 N THR A 74 -1.782 -5.848 -1.805 1.00 0.00 N ATOM 1109 CA THR A 74 -2.279 -7.209 -2.033 1.00 0.00 C ATOM 1110 C THR A 74 -1.469 -8.178 -1.167 1.00 0.00 C ATOM 1111 O THR A 74 -0.246 -8.076 -1.044 1.00 0.00 O ATOM 1112 CB THR A 74 -2.270 -7.619 -3.525 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.058 -8.229 -3.910 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.478 -6.457 -4.511 1.00 0.00 C ATOM 0 H THR A 74 -0.770 -5.759 -1.901 1.00 0.00 H new ATOM 0 HA THR A 74 -3.328 -7.245 -1.741 1.00 0.00 H new ATOM 0 HB THR A 74 -3.112 -8.308 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.327 -7.581 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.457 -6.838 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.442 -5.985 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.683 -5.723 -4.381 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.158 -9.110 -0.519 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.557 -10.105 0.372 1.00 0.00 C ATOM 1124 C PHE A 75 -2.023 -11.515 -0.031 1.00 0.00 C ATOM 1125 O PHE A 75 -3.221 -11.744 -0.117 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.948 -9.780 1.817 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.735 -10.946 2.751 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.431 -11.253 3.159 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.801 -11.794 3.114 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.185 -12.385 3.934 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.550 -12.949 3.873 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.237 -13.251 4.276 1.00 0.00 C ATOM 0 H PHE A 75 -3.171 -9.200 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.470 -10.077 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.363 -8.929 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.996 -9.481 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.388 -10.610 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.809 -11.556 2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.818 -12.597 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.364 -13.604 4.147 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.038 -14.146 4.847 1.00 0.00 H new ATOM 1142 N SER A 76 -1.113 -12.466 -0.250 1.00 0.00 N ATOM 1143 CA SER A 76 -1.377 -13.846 -0.713 1.00 0.00 C ATOM 1144 C SER A 76 -0.730 -14.918 0.164 1.00 0.00 C ATOM 1145 O SER A 76 0.386 -14.746 0.629 1.00 0.00 O ATOM 1146 CB SER A 76 -0.834 -14.041 -2.138 1.00 0.00 C ATOM 1147 OG SER A 76 -1.799 -13.725 -3.120 1.00 0.00 O ATOM 0 H SER A 76 -0.118 -12.294 -0.104 1.00 0.00 H new ATOM 0 HA SER A 76 -2.460 -13.965 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.046 -13.414 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.512 -15.075 -2.265 1.00 0.00 H new ATOM 0 HG SER A 76 -1.415 -13.860 -4.011 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.395 -16.054 0.378 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.813 -17.199 1.115 1.00 0.00 C ATOM 1155 C ILE A 77 -0.535 -18.355 0.144 1.00 0.00 C ATOM 1156 O ILE A 77 -1.453 -18.843 -0.519 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.703 -17.638 2.297 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.973 -16.420 3.204 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.043 -18.819 3.037 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.446 -16.730 4.627 1.00 0.00 C ATOM 0 H ILE A 77 -2.348 -16.216 0.051 1.00 0.00 H new ATOM 0 HA ILE A 77 0.134 -16.882 1.552 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.670 -17.997 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.058 -15.830 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.723 -15.793 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.675 -19.125 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.919 -19.656 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.068 -18.512 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.603 -15.798 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.382 -17.288 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.691 -17.325 5.140 1.00 0.00 H new ATOM 1172 N MET A 78 0.729 -18.796 0.069 1.00 0.00 N ATOM 1173 CA MET A 78 1.176 -19.920 -0.766 1.00 0.00 C ATOM 1174 C MET A 78 1.799 -21.083 0.023 1.00 0.00 C ATOM 1175 O MET A 78 2.878 -20.928 0.585 1.00 0.00 O ATOM 1176 CB MET A 78 2.107 -19.439 -1.896 1.00 0.00 C ATOM 1177 CG MET A 78 3.263 -18.526 -1.448 1.00 0.00 C ATOM 1178 SD MET A 78 4.689 -18.435 -2.573 1.00 0.00 S ATOM 1179 CE MET A 78 3.881 -18.242 -4.184 1.00 0.00 C ATOM 0 H MET A 78 1.488 -18.370 0.601 1.00 0.00 H new ATOM 0 HA MET A 78 0.271 -20.331 -1.213 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.527 -20.312 -2.395 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.509 -18.906 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.871 -17.519 -1.308 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.614 -18.869 -0.475 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.632 -18.032 -4.945 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.353 -19.161 -4.439 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.170 -17.417 -4.138 1.00 0.00 H new ATOM 1189 N ASP A 79 1.163 -22.260 -0.007 1.00 0.00 N ATOM 1190 CA ASP A 79 1.585 -23.551 0.583 1.00 0.00 C ATOM 1191 C ASP A 79 1.991 -23.551 2.079 1.00 0.00 C ATOM 1192 O ASP A 79 1.271 -24.098 2.917 1.00 0.00 O ATOM 1193 CB ASP A 79 2.700 -24.135 -0.304 1.00 0.00 C ATOM 1194 CG ASP A 79 3.026 -25.612 -0.008 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.116 -26.383 0.378 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.192 -26.021 -0.219 1.00 0.00 O ATOM 0 H ASP A 79 0.265 -22.349 -0.482 1.00 0.00 H new ATOM 0 HA ASP A 79 0.693 -24.178 0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.406 -24.041 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.604 -23.540 -0.172 1.00 0.00 H new ATOM 1201 N GLU A 80 3.117 -22.924 2.426 1.00 0.00 N ATOM 1202 CA GLU A 80 3.668 -22.785 3.783 1.00 0.00 C ATOM 1203 C GLU A 80 4.159 -21.359 4.066 1.00 0.00 C ATOM 1204 O GLU A 80 4.791 -21.125 5.094 1.00 0.00 O ATOM 1205 CB GLU A 80 4.870 -23.722 4.013 1.00 0.00 C ATOM 1206 CG GLU A 80 4.693 -25.151 3.506 1.00 0.00 C ATOM 1207 CD GLU A 80 5.810 -26.075 4.030 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.955 -26.013 3.516 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.551 -26.885 4.954 1.00 0.00 O ATOM 0 H GLU A 80 3.707 -22.471 1.728 1.00 0.00 H new ATOM 0 HA GLU A 80 2.846 -23.042 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.745 -23.288 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.082 -23.757 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.723 -25.534 3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.696 -25.155 2.416 1.00 0.00 H new ATOM 1216 N PHE A 81 3.942 -20.399 3.164 1.00 0.00 N ATOM 1217 CA PHE A 81 4.479 -19.046 3.334 1.00 0.00 C ATOM 1218 C PHE A 81 3.372 -18.010 3.087 1.00 0.00 C ATOM 1219 O PHE A 81 2.299 -18.311 2.559 1.00 0.00 O ATOM 1220 CB PHE A 81 5.593 -18.771 2.299 1.00 0.00 C ATOM 1221 CG PHE A 81 6.416 -19.950 1.810 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.092 -20.826 2.678 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.421 -20.206 0.429 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.804 -21.923 2.156 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.114 -21.306 -0.097 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.819 -22.162 0.769 1.00 0.00 C ATOM 0 H PHE A 81 3.400 -20.532 2.310 1.00 0.00 H new ATOM 0 HA PHE A 81 4.871 -18.970 4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.133 -18.301 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.278 -18.041 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.065 -20.657 3.744 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.884 -19.547 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.340 -22.583 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.107 -21.495 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.370 -23.001 0.370 1.00 0.00 H new ATOM 1236 N GLN A 82 3.683 -16.759 3.394 1.00 0.00 N ATOM 1237 CA GLN A 82 2.825 -15.603 3.160 1.00 0.00 C ATOM 1238 C GLN A 82 3.561 -14.600 2.284 1.00 0.00 C ATOM 1239 O GLN A 82 4.753 -14.395 2.464 1.00 0.00 O ATOM 1240 CB GLN A 82 2.428 -14.927 4.475 1.00 0.00 C ATOM 1241 CG GLN A 82 2.255 -15.826 5.693 1.00 0.00 C ATOM 1242 CD GLN A 82 1.530 -15.110 6.829 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.351 -15.314 7.080 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.205 -14.245 7.554 1.00 0.00 N ATOM 0 H GLN A 82 4.572 -16.510 3.829 1.00 0.00 H new ATOM 0 HA GLN A 82 1.917 -15.947 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.184 -14.178 4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.491 -14.394 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.695 -16.718 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.233 -16.160 6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.189 -14.068 7.352 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.744 -13.751 8.318 1.00 0.00 H new ATOM 1253 N GLU A 83 2.847 -13.933 1.393 1.00 0.00 N ATOM 1254 CA GLU A 83 3.338 -12.945 0.436 1.00 0.00 C ATOM 1255 C GLU A 83 2.617 -11.623 0.653 1.00 0.00 C ATOM 1256 O GLU A 83 1.391 -11.564 0.692 1.00 0.00 O ATOM 1257 CB GLU A 83 3.051 -13.380 -1.017 1.00 0.00 C ATOM 1258 CG GLU A 83 4.129 -14.264 -1.643 1.00 0.00 C ATOM 1259 CD GLU A 83 3.819 -14.557 -3.127 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.668 -14.935 -3.458 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.726 -14.398 -3.980 1.00 0.00 O ATOM 0 H GLU A 83 1.840 -14.074 1.310 1.00 0.00 H new ATOM 0 HA GLU A 83 4.413 -12.849 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.102 -13.916 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.929 -12.488 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.098 -13.773 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.200 -15.202 -1.092 1.00 0.00 H new ATOM 1268 N TYR A 84 3.390 -10.554 0.734 1.00 0.00 N ATOM 1269 CA TYR A 84 2.912 -9.189 0.910 1.00 0.00 C ATOM 1270 C TYR A 84 3.416 -8.336 -0.239 1.00 0.00 C ATOM 1271 O TYR A 84 4.612 -8.361 -0.530 1.00 0.00 O ATOM 1272 CB TYR A 84 3.480 -8.620 2.207 1.00 0.00 C ATOM 1273 CG TYR A 84 2.939 -9.291 3.453 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.533 -10.473 3.948 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.791 -8.764 4.075 1.00 0.00 C ATOM 1276 CE1 TYR A 84 2.996 -11.115 5.083 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.277 -9.376 5.233 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.885 -10.545 5.747 1.00 0.00 C ATOM 1279 OH TYR A 84 1.379 -11.153 6.856 1.00 0.00 O ATOM 0 H TYR A 84 4.407 -10.613 0.677 1.00 0.00 H new ATOM 0 HA TYR A 84 1.822 -9.187 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.565 -8.720 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.259 -7.554 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.401 -10.886 3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.306 -7.891 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.430 -12.036 5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.417 -8.952 5.730 1.00 0.00 H new ATOM 0 HH TYR A 84 0.618 -10.636 7.194 1.00 0.00 H new ATOM 1289 N THR A 85 2.538 -7.580 -0.890 1.00 0.00 N ATOM 1290 CA THR A 85 2.941 -6.679 -1.972 1.00 0.00 C ATOM 1291 C THR A 85 2.157 -5.368 -1.852 1.00 0.00 C ATOM 1292 O THR A 85 0.979 -5.345 -1.494 1.00 0.00 O ATOM 1293 CB THR A 85 2.789 -7.292 -3.386 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.531 -7.051 -3.970 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.958 -8.820 -3.436 1.00 0.00 C ATOM 0 H THR A 85 1.538 -7.571 -0.688 1.00 0.00 H new ATOM 0 HA THR A 85 4.008 -6.492 -1.856 1.00 0.00 H new ATOM 0 HB THR A 85 3.591 -6.793 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.499 -7.461 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.836 -9.166 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.952 -9.088 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.206 -9.290 -2.803 1.00 0.00 H new ATOM 1303 N MET A 86 2.803 -4.252 -2.144 1.00 0.00 N ATOM 1304 CA MET A 86 2.234 -2.906 -2.135 1.00 0.00 C ATOM 1305 C MET A 86 2.728 -2.141 -3.361 1.00 0.00 C ATOM 1306 O MET A 86 3.858 -2.324 -3.816 1.00 0.00 O ATOM 1307 CB MET A 86 2.614 -2.214 -0.824 1.00 0.00 C ATOM 1308 CG MET A 86 2.160 -0.756 -0.749 1.00 0.00 C ATOM 1309 SD MET A 86 2.646 0.101 0.772 1.00 0.00 S ATOM 1310 CE MET A 86 4.347 0.556 0.330 1.00 0.00 C ATOM 0 H MET A 86 3.788 -4.255 -2.408 1.00 0.00 H new ATOM 0 HA MET A 86 1.146 -2.942 -2.189 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.177 -2.765 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.696 -2.256 -0.701 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.570 -0.216 -1.603 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.074 -0.721 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.863 0.936 1.212 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.872 -0.321 -0.048 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.329 1.327 -0.440 1.00 0.00 H new ATOM 1320 N LEU A 87 1.857 -1.286 -3.882 1.00 0.00 N ATOM 1321 CA LEU A 87 2.071 -0.434 -5.050 1.00 0.00 C ATOM 1322 C LEU A 87 1.218 0.849 -4.936 1.00 0.00 C ATOM 1323 O LEU A 87 0.006 0.831 -5.147 1.00 0.00 O ATOM 1324 CB LEU A 87 1.675 -1.234 -6.305 1.00 0.00 C ATOM 1325 CG LEU A 87 2.042 -0.529 -7.611 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.469 -0.870 -8.013 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.110 -0.912 -8.757 1.00 0.00 C ATOM 0 H LEU A 87 0.928 -1.160 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 87 3.118 -0.136 -5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.164 -2.208 -6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.600 -1.416 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 87 1.942 0.541 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.716 -0.361 -8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.155 -0.547 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.560 -1.947 -8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.411 -0.386 -9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.165 -1.987 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.087 -0.637 -8.501 1.00 0.00 H new ATOM 1339 N CYS A 88 1.864 1.966 -4.620 1.00 0.00 N ATOM 1340 CA CYS A 88 1.275 3.293 -4.489 1.00 0.00 C ATOM 1341 C CYS A 88 2.242 4.354 -5.035 1.00 0.00 C ATOM 1342 O CYS A 88 3.446 4.309 -4.757 1.00 0.00 O ATOM 1343 CB CYS A 88 0.975 3.570 -3.011 1.00 0.00 C ATOM 1344 SG CYS A 88 0.364 5.275 -2.768 1.00 0.00 S ATOM 0 H CYS A 88 2.868 1.970 -4.438 1.00 0.00 H new ATOM 0 HA CYS A 88 0.349 3.336 -5.062 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.232 2.860 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.877 3.417 -2.419 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.485 5.570 -3.708 1.00 0.00 H new ATOM 1349 N LEU A 89 1.712 5.318 -5.793 1.00 0.00 N ATOM 1350 CA LEU A 89 2.470 6.447 -6.340 1.00 0.00 C ATOM 1351 C LEU A 89 3.129 7.284 -5.230 1.00 0.00 C ATOM 1352 O LEU A 89 4.242 7.778 -5.425 1.00 0.00 O ATOM 1353 CB LEU A 89 1.521 7.286 -7.225 1.00 0.00 C ATOM 1354 CG LEU A 89 2.062 8.652 -7.685 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.284 8.537 -8.579 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.039 9.437 -8.504 1.00 0.00 C ATOM 0 H LEU A 89 0.725 5.336 -6.049 1.00 0.00 H new ATOM 0 HA LEU A 89 3.293 6.076 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.268 6.701 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.594 7.450 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 89 2.306 9.159 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.617 9.533 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.084 8.030 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.029 7.965 -9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.469 10.392 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.768 8.866 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.148 9.614 -7.901 1.00 0.00 H new ATOM 1368 N LEU A 90 2.479 7.401 -4.070 1.00 0.00 N ATOM 1369 CA LEU A 90 2.962 8.136 -2.909 1.00 0.00 C ATOM 1370 C LEU A 90 3.643 7.205 -1.907 1.00 0.00 C ATOM 1371 O LEU A 90 4.827 7.383 -1.613 1.00 0.00 O ATOM 1372 CB LEU A 90 1.761 8.825 -2.233 1.00 0.00 C ATOM 1373 CG LEU A 90 2.076 9.419 -0.847 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.191 10.456 -0.917 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.832 10.069 -0.247 1.00 0.00 C ATOM 0 H LEU A 90 1.569 6.969 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 90 3.696 8.872 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.399 9.621 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.951 8.103 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 90 2.406 8.595 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.383 10.851 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.097 9.990 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.891 11.269 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.074 10.483 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.486 10.868 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.046 9.321 -0.141 1.00 0.00 H new ATOM 1387 N CYS A 91 2.895 6.268 -1.345 1.00 0.00 N ATOM 1388 CA CYS A 91 3.356 5.406 -0.274 1.00 0.00 C ATOM 1389 C CYS A 91 4.505 4.479 -0.690 1.00 0.00 C ATOM 1390 O CYS A 91 5.439 4.280 0.091 1.00 0.00 O ATOM 1391 CB CYS A 91 2.156 4.660 0.313 1.00 0.00 C ATOM 1392 SG CYS A 91 0.923 5.842 0.938 1.00 0.00 S ATOM 0 H CYS A 91 1.932 6.084 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 91 3.796 6.026 0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.706 4.024 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.485 4.006 1.121 1.00 0.00 H new ATOM 0 HG CYS A 91 -0.272 5.388 0.701 1.00 0.00 H new ATOM 1397 N GLY A 92 4.471 3.964 -1.923 1.00 0.00 N ATOM 1398 CA GLY A 92 5.573 3.196 -2.497 1.00 0.00 C ATOM 1399 C GLY A 92 5.246 1.839 -3.110 1.00 0.00 C ATOM 1400 O GLY A 92 4.134 1.324 -3.000 1.00 0.00 O ATOM 0 H GLY A 92 3.674 4.070 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.043 3.808 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.317 3.041 -1.715 1.00 0.00 H new ATOM 1404 N LYS A 93 6.269 1.231 -3.720 1.00 0.00 N ATOM 1405 CA LYS A 93 6.238 -0.124 -4.276 1.00 0.00 C ATOM 1406 C LYS A 93 7.167 -1.033 -3.481 1.00 0.00 C ATOM 1407 O LYS A 93 8.380 -0.823 -3.455 1.00 0.00 O ATOM 1408 CB LYS A 93 6.580 -0.098 -5.765 1.00 0.00 C ATOM 1409 CG LYS A 93 6.783 -1.515 -6.343 1.00 0.00 C ATOM 1410 CD LYS A 93 7.078 -1.516 -7.852 1.00 0.00 C ATOM 1411 CE LYS A 93 8.431 -0.870 -8.186 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.709 -0.914 -9.648 1.00 0.00 N ATOM 0 H LYS A 93 7.173 1.686 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 93 5.231 -0.531 -4.190 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.781 0.404 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.487 0.488 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.606 -2.000 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.889 -2.109 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.068 -2.542 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.285 -0.982 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.436 0.165 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.225 -1.387 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.630 -0.470 -9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.728 -1.903 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.963 -0.399 -10.159 1.00 0.00 H new ATOM 1426 N ALA A 94 6.595 -2.035 -2.826 1.00 0.00 N ATOM 1427 CA ALA A 94 7.311 -2.977 -1.977 1.00 0.00 C ATOM 1428 C ALA A 94 6.768 -4.416 -2.041 1.00 0.00 C ATOM 1429 O ALA A 94 5.610 -4.636 -2.395 1.00 0.00 O ATOM 1430 CB ALA A 94 7.283 -2.431 -0.548 1.00 0.00 C ATOM 0 H ALA A 94 5.593 -2.220 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 94 8.334 -3.059 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.813 -3.116 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.767 -1.455 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.249 -2.333 -0.216 1.00 0.00 H new ATOM 1436 N GLU A 95 7.603 -5.398 -1.692 1.00 0.00 N ATOM 1437 CA GLU A 95 7.230 -6.816 -1.621 1.00 0.00 C ATOM 1438 C GLU A 95 8.045 -7.549 -0.540 1.00 0.00 C ATOM 1439 O GLU A 95 9.249 -7.323 -0.396 1.00 0.00 O ATOM 1440 CB GLU A 95 7.432 -7.452 -3.005 1.00 0.00 C ATOM 1441 CG GLU A 95 7.158 -8.959 -3.070 1.00 0.00 C ATOM 1442 CD GLU A 95 7.320 -9.476 -4.513 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.346 -9.412 -5.301 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.428 -9.944 -4.874 1.00 0.00 O ATOM 0 H GLU A 95 8.578 -5.228 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 95 6.181 -6.903 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.780 -6.948 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.458 -7.270 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.844 -9.488 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.149 -9.167 -2.714 1.00 0.00 H new ATOM 1451 N ASP A 96 7.386 -8.433 0.212 1.00 0.00 N ATOM 1452 CA ASP A 96 7.964 -9.269 1.266 1.00 0.00 C ATOM 1453 C ASP A 96 7.351 -10.676 1.272 1.00 0.00 C ATOM 1454 O ASP A 96 6.185 -10.847 0.912 1.00 0.00 O ATOM 1455 CB ASP A 96 7.729 -8.622 2.640 1.00 0.00 C ATOM 1456 CG ASP A 96 8.641 -9.238 3.711 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.876 -9.275 3.494 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.130 -9.672 4.767 1.00 0.00 O ATOM 0 H ASP A 96 6.385 -8.593 0.097 1.00 0.00 H new ATOM 0 HA ASP A 96 9.032 -9.354 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.913 -7.550 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.686 -8.749 2.931 1.00 0.00 H new ATOM 1463 N THR A 97 8.096 -11.681 1.737 1.00 0.00 N ATOM 1464 CA THR A 97 7.581 -13.051 1.901 1.00 0.00 C ATOM 1465 C THR A 97 8.040 -13.645 3.238 1.00 0.00 C ATOM 1466 O THR A 97 9.214 -13.529 3.597 1.00 0.00 O ATOM 1467 CB THR A 97 7.981 -13.987 0.747 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.018 -13.334 -0.507 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.981 -15.132 0.605 1.00 0.00 C ATOM 0 H THR A 97 9.072 -11.573 2.011 1.00 0.00 H new ATOM 0 HA THR A 97 6.494 -12.973 1.888 1.00 0.00 H new ATOM 0 HB THR A 97 8.977 -14.346 1.005 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.279 -13.974 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.285 -15.780 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.953 -15.708 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.990 -14.726 0.400 1.00 0.00 H new ATOM 1477 N ILE A 98 7.121 -14.274 3.982 1.00 0.00 N ATOM 1478 CA ILE A 98 7.361 -14.861 5.313 1.00 0.00 C ATOM 1479 C ILE A 98 7.022 -16.349 5.319 1.00 0.00 C ATOM 1480 O ILE A 98 5.897 -16.722 5.004 1.00 0.00 O ATOM 1481 CB ILE A 98 6.502 -14.163 6.395 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.427 -12.631 6.210 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.038 -14.528 7.786 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.687 -11.874 7.322 1.00 0.00 C ATOM 0 H ILE A 98 6.158 -14.394 3.667 1.00 0.00 H new ATOM 0 HA ILE A 98 8.418 -14.719 5.538 1.00 0.00 H new ATOM 0 HB ILE A 98 5.479 -14.525 6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.442 -12.240 6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.937 -12.419 5.260 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.434 -14.037 8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.988 -15.608 7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.073 -14.198 7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.689 -10.807 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.658 -12.230 7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.187 -12.047 8.275 1.00 0.00 H new ATOM 1496 N SER A 99 7.942 -17.208 5.739 1.00 0.00 N ATOM 1497 CA SER A 99 7.674 -18.646 5.889 1.00 0.00 C ATOM 1498 C SER A 99 6.997 -18.913 7.240 1.00 0.00 C ATOM 1499 O SER A 99 7.409 -18.367 8.268 1.00 0.00 O ATOM 1500 CB SER A 99 8.954 -19.462 5.701 1.00 0.00 C ATOM 1501 OG SER A 99 10.006 -18.998 6.535 1.00 0.00 O ATOM 0 H SER A 99 8.894 -16.936 5.986 1.00 0.00 H new ATOM 0 HA SER A 99 6.985 -18.968 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.752 -20.510 5.921 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.268 -19.410 4.658 1.00 0.00 H new ATOM 0 HG SER A 99 10.806 -19.545 6.388 1.00 0.00 H new