USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 685 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 65 ASN : amide:sc= -0.117 K(o=0.35,f=-4.6!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.463 K(o=0.35,f=-1.9) USER MOD Set 2.1: A 3 SER OG : rot 120:sc= -0.0411 USER MOD Set 2.2: A 5 MET CE :methyl -171:sc= -0.0514 (180deg=-0.211) USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.0892 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.0003 USER MOD Single : A 4 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-0.81) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0174 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 0.896 (180deg=0.808) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.08 K(o=-1.1,f=-3!) USER MOD Single : A 19 THR OG1 : rot -102:sc= 0.171 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.13) USER MOD Single : A 28 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 1.05 (180deg=1.02) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= 0.757 (180deg=0.566) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.89) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.585 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 1.21 K(o=1.7,f=-5.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 52 SER OG : rot -155:sc= 0.626 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.837 USER MOD Single : A 70 GLN : amide:sc= -0.596 K(o=-0.6,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 77 MET CE :methyl 175:sc=-0.00306 (180deg=-0.0552) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -140:sc=-0.00939 (180deg=-0.94) USER MOD Single : A 81 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.142 K(o=0.14,f=-3.6!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= -0.014 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 23.050 7.174 -12.869 1.00 0.00 N ATOM 2 CA SER A 1 22.448 5.890 -13.276 1.00 0.00 C ATOM 3 C SER A 1 20.934 5.936 -13.121 1.00 0.00 C ATOM 4 O SER A 1 20.411 6.729 -12.336 1.00 0.00 O ATOM 5 CB SER A 1 23.050 4.733 -12.473 1.00 0.00 C ATOM 6 OG SER A 1 22.484 3.506 -12.880 1.00 0.00 O ATOM 0 H1 SER A 1 23.928 6.994 -12.342 1.00 0.00 H new ATOM 0 H2 SER A 1 23.264 7.741 -13.714 1.00 0.00 H new ATOM 0 H3 SER A 1 22.383 7.694 -12.263 1.00 0.00 H new ATOM 0 HA SER A 1 22.674 5.721 -14.329 1.00 0.00 H new ATOM 0 HB2 SER A 1 24.131 4.707 -12.614 1.00 0.00 H new ATOM 0 HB3 SER A 1 22.871 4.888 -11.409 1.00 0.00 H new ATOM 0 HG SER A 1 22.879 2.775 -12.360 1.00 0.00 H new ATOM 12 N GLY A 2 20.222 5.084 -13.864 1.00 0.00 N ATOM 13 CA GLY A 2 18.768 5.023 -13.819 1.00 0.00 C ATOM 14 C GLY A 2 18.227 3.973 -14.786 1.00 0.00 C ATOM 15 O GLY A 2 18.992 3.308 -15.486 1.00 0.00 O ATOM 0 H GLY A 2 20.643 4.419 -14.513 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.443 4.789 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.353 5.999 -14.069 1.00 0.00 H new ATOM 19 N SER A 3 16.900 3.830 -14.824 1.00 0.00 N ATOM 20 CA SER A 3 16.233 2.867 -15.689 1.00 0.00 C ATOM 21 C SER A 3 14.788 3.282 -15.947 1.00 0.00 C ATOM 22 O SER A 3 14.203 4.029 -15.164 1.00 0.00 O ATOM 23 CB SER A 3 16.274 1.481 -15.039 1.00 0.00 C ATOM 24 OG SER A 3 15.569 0.550 -15.833 1.00 0.00 O ATOM 0 H SER A 3 16.261 4.382 -14.253 1.00 0.00 H new ATOM 0 HA SER A 3 16.754 2.835 -16.646 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.308 1.158 -14.918 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.836 1.526 -14.042 1.00 0.00 H new ATOM 0 HG SER A 3 16.176 -0.166 -16.114 1.00 0.00 H new ATOM 30 N HIS A 4 14.206 2.795 -17.048 1.00 0.00 N ATOM 31 CA HIS A 4 12.826 3.090 -17.413 1.00 0.00 C ATOM 32 C HIS A 4 11.832 2.369 -16.502 1.00 0.00 C ATOM 33 O HIS A 4 10.628 2.580 -16.621 1.00 0.00 O ATOM 34 CB HIS A 4 12.604 2.707 -18.879 1.00 0.00 C ATOM 35 CG HIS A 4 12.897 1.260 -19.178 1.00 0.00 C ATOM 36 ND1 HIS A 4 12.205 0.161 -18.699 1.00 0.00 N ATOM 37 CD2 HIS A 4 13.885 0.799 -20.003 1.00 0.00 C ATOM 38 CE1 HIS A 4 12.772 -0.947 -19.216 1.00 0.00 C ATOM 39 NE2 HIS A 4 13.795 -0.580 -20.014 1.00 0.00 N ATOM 0 H HIS A 4 14.684 2.184 -17.710 1.00 0.00 H new ATOM 0 HA HIS A 4 12.651 4.158 -17.285 1.00 0.00 H new ATOM 0 HB2 HIS A 4 11.570 2.922 -19.149 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.235 3.334 -19.509 1.00 0.00 H new ATOM 0 HD2 HIS A 4 14.601 1.400 -20.544 1.00 0.00 H new ATOM 0 HE1 HIS A 4 12.458 -1.962 -19.023 1.00 0.00 H new ATOM 0 HE2 HIS A 4 14.400 -1.213 -20.537 1.00 0.00 H new ATOM 48 N MET A 5 12.318 1.516 -15.592 1.00 0.00 N ATOM 49 CA MET A 5 11.472 0.779 -14.658 1.00 0.00 C ATOM 50 C MET A 5 10.930 1.675 -13.539 1.00 0.00 C ATOM 51 O MET A 5 10.172 1.200 -12.693 1.00 0.00 O ATOM 52 CB MET A 5 12.251 -0.399 -14.070 1.00 0.00 C ATOM 53 CG MET A 5 12.671 -1.378 -15.166 1.00 0.00 C ATOM 54 SD MET A 5 13.438 -2.903 -14.560 1.00 0.00 S ATOM 55 CE MET A 5 14.915 -2.219 -13.768 1.00 0.00 C ATOM 0 H MET A 5 13.313 1.320 -15.486 1.00 0.00 H new ATOM 0 HA MET A 5 10.612 0.405 -15.214 1.00 0.00 H new ATOM 0 HB2 MET A 5 13.134 -0.031 -13.548 1.00 0.00 H new ATOM 0 HB3 MET A 5 11.636 -0.915 -13.333 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.794 -1.638 -15.758 1.00 0.00 H new ATOM 0 HG3 MET A 5 13.370 -0.876 -15.835 1.00 0.00 H new ATOM 0 HE1 MET A 5 15.583 -3.031 -13.481 1.00 0.00 H new ATOM 0 HE2 MET A 5 15.428 -1.557 -14.465 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.625 -1.657 -12.880 1.00 0.00 H new ATOM 65 N LYS A 6 11.314 2.959 -13.528 1.00 0.00 N ATOM 66 CA LYS A 6 10.859 3.916 -12.525 1.00 0.00 C ATOM 67 C LYS A 6 10.837 5.329 -13.112 1.00 0.00 C ATOM 68 O LYS A 6 11.631 5.647 -13.997 1.00 0.00 O ATOM 69 CB LYS A 6 11.772 3.828 -11.295 1.00 0.00 C ATOM 70 CG LYS A 6 11.337 4.798 -10.194 1.00 0.00 C ATOM 71 CD LYS A 6 12.228 4.676 -8.956 1.00 0.00 C ATOM 72 CE LYS A 6 12.122 3.288 -8.332 1.00 0.00 C ATOM 73 NZ LYS A 6 12.946 3.187 -7.112 1.00 0.00 N ATOM 0 H LYS A 6 11.950 3.358 -14.218 1.00 0.00 H new ATOM 0 HA LYS A 6 9.841 3.676 -12.218 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.762 2.809 -10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.799 4.047 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.375 5.820 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.301 4.598 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.264 4.876 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.941 5.430 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.081 3.074 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.442 2.537 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.854 2.233 -6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.942 3.368 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.623 3.889 -6.416 1.00 0.00 H new ATOM 87 N THR A 7 9.926 6.173 -12.627 1.00 0.00 N ATOM 88 CA THR A 7 9.791 7.545 -13.095 1.00 0.00 C ATOM 89 C THR A 7 10.932 8.478 -12.690 1.00 0.00 C ATOM 90 O THR A 7 11.695 8.182 -11.773 1.00 0.00 O ATOM 91 CB THR A 7 8.416 8.141 -12.762 1.00 0.00 C ATOM 92 OG1 THR A 7 8.476 8.781 -11.506 1.00 0.00 O ATOM 93 CG2 THR A 7 7.299 7.100 -12.726 1.00 0.00 C ATOM 0 H THR A 7 9.261 5.920 -11.896 1.00 0.00 H new ATOM 0 HA THR A 7 9.867 7.469 -14.180 1.00 0.00 H new ATOM 0 HB THR A 7 8.179 8.846 -13.559 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.600 9.164 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.355 7.588 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.220 6.617 -13.700 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.524 6.351 -11.967 1.00 0.00 H new ATOM 101 N CYS A 8 11.038 9.611 -13.384 1.00 0.00 N ATOM 102 CA CYS A 8 12.018 10.650 -13.088 1.00 0.00 C ATOM 103 C CYS A 8 11.356 12.028 -12.986 1.00 0.00 C ATOM 104 O CYS A 8 12.043 13.038 -12.859 1.00 0.00 O ATOM 105 CB CYS A 8 13.119 10.639 -14.150 1.00 0.00 C ATOM 106 SG CYS A 8 14.055 9.089 -14.047 1.00 0.00 S ATOM 0 H CYS A 8 10.437 9.834 -14.177 1.00 0.00 H new ATOM 0 HA CYS A 8 12.467 10.440 -12.117 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.681 10.745 -15.142 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.787 11.488 -14.004 1.00 0.00 H new ATOM 0 HG CYS A 8 14.987 9.084 -14.953 1.00 0.00 H new ATOM 112 N VAL A 9 10.022 12.068 -13.043 1.00 0.00 N ATOM 113 CA VAL A 9 9.259 13.304 -12.955 1.00 0.00 C ATOM 114 C VAL A 9 9.240 13.853 -11.530 1.00 0.00 C ATOM 115 O VAL A 9 9.265 13.089 -10.564 1.00 0.00 O ATOM 116 CB VAL A 9 7.848 13.089 -13.519 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.008 12.193 -12.609 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.122 14.422 -13.695 1.00 0.00 C ATOM 0 H VAL A 9 9.443 11.236 -13.152 1.00 0.00 H new ATOM 0 HA VAL A 9 9.750 14.063 -13.564 1.00 0.00 H new ATOM 0 HB VAL A 9 7.968 12.602 -14.487 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.016 12.064 -13.041 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.490 11.221 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.918 12.655 -11.626 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.124 14.243 -14.096 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.041 14.922 -12.730 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.682 15.053 -14.385 1.00 0.00 H new ATOM 128 N VAL A 10 9.195 15.183 -11.398 1.00 0.00 N ATOM 129 CA VAL A 10 9.177 15.871 -10.115 1.00 0.00 C ATOM 130 C VAL A 10 8.322 17.131 -10.191 1.00 0.00 C ATOM 131 O VAL A 10 8.132 17.700 -11.266 1.00 0.00 O ATOM 132 CB VAL A 10 10.600 16.215 -9.648 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.516 14.991 -9.636 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.231 17.283 -10.541 1.00 0.00 C ATOM 0 H VAL A 10 9.170 15.817 -12.197 1.00 0.00 H new ATOM 0 HA VAL A 10 8.736 15.196 -9.382 1.00 0.00 H new ATOM 0 HB VAL A 10 10.501 16.592 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.510 15.284 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.110 14.240 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.581 14.576 -10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.237 17.506 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.281 16.917 -11.567 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.626 18.189 -10.508 1.00 0.00 H new ATOM 144 N GLU A 11 7.808 17.567 -9.042 1.00 0.00 N ATOM 145 CA GLU A 11 7.051 18.807 -8.941 1.00 0.00 C ATOM 146 C GLU A 11 7.997 19.983 -8.737 1.00 0.00 C ATOM 147 O GLU A 11 9.091 19.816 -8.202 1.00 0.00 O ATOM 148 CB GLU A 11 6.040 18.719 -7.793 1.00 0.00 C ATOM 149 CG GLU A 11 4.915 17.741 -8.128 1.00 0.00 C ATOM 150 CD GLU A 11 4.044 18.208 -9.297 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.190 19.376 -9.719 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.228 17.379 -9.762 1.00 0.00 O ATOM 0 H GLU A 11 7.906 17.069 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 11 6.502 18.963 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.546 18.399 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.622 19.706 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.346 16.769 -8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.288 17.602 -7.248 1.00 0.00 H new ATOM 159 N LYS A 12 7.568 21.176 -9.164 1.00 0.00 N ATOM 160 CA LYS A 12 8.359 22.392 -9.018 1.00 0.00 C ATOM 161 C LYS A 12 7.498 23.606 -8.694 1.00 0.00 C ATOM 162 O LYS A 12 6.308 23.648 -9.010 1.00 0.00 O ATOM 163 CB LYS A 12 9.192 22.671 -10.273 1.00 0.00 C ATOM 164 CG LYS A 12 10.309 21.642 -10.442 1.00 0.00 C ATOM 165 CD LYS A 12 11.317 22.071 -11.509 1.00 0.00 C ATOM 166 CE LYS A 12 12.113 23.284 -11.017 1.00 0.00 C ATOM 167 NZ LYS A 12 13.160 23.671 -11.981 1.00 0.00 N ATOM 0 H LYS A 12 6.666 21.320 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 12 9.030 22.219 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.546 22.656 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.623 23.670 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.823 21.503 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.878 20.679 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.995 21.247 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.797 22.317 -12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.437 24.124 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.570 23.054 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.744 24.428 -11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.759 22.847 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.716 24.010 -12.858 1.00 0.00 H new ATOM 181 N ILE A 13 8.135 24.592 -8.062 1.00 0.00 N ATOM 182 CA ILE A 13 7.551 25.876 -7.705 1.00 0.00 C ATOM 183 C ILE A 13 8.623 26.946 -7.893 1.00 0.00 C ATOM 184 O ILE A 13 9.810 26.653 -7.781 1.00 0.00 O ATOM 185 CB ILE A 13 7.036 25.836 -6.256 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.788 24.943 -6.168 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.717 27.242 -5.739 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.250 24.854 -4.742 1.00 0.00 C ATOM 0 H ILE A 13 9.110 24.510 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 13 6.697 26.106 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 13 7.823 25.419 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.012 25.338 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.031 23.943 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.355 27.179 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.618 27.854 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.950 27.695 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.368 24.213 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.016 24.434 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.981 25.851 -4.392 1.00 0.00 H new ATOM 200 N LYS A 14 8.204 28.182 -8.177 1.00 0.00 N ATOM 201 CA LYS A 14 9.118 29.302 -8.349 1.00 0.00 C ATOM 202 C LYS A 14 8.516 30.559 -7.737 1.00 0.00 C ATOM 203 O LYS A 14 7.308 30.773 -7.826 1.00 0.00 O ATOM 204 CB LYS A 14 9.431 29.482 -9.841 1.00 0.00 C ATOM 205 CG LYS A 14 10.385 30.655 -10.072 1.00 0.00 C ATOM 206 CD LYS A 14 10.691 30.793 -11.564 1.00 0.00 C ATOM 207 CE LYS A 14 11.660 31.952 -11.786 1.00 0.00 C ATOM 208 NZ LYS A 14 11.974 32.126 -13.220 1.00 0.00 N ATOM 0 H LYS A 14 7.221 28.429 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 14 10.057 29.103 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.874 28.567 -10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.505 29.650 -10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.939 31.576 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.309 30.498 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.123 29.867 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.769 30.966 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.226 32.871 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.580 31.771 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.634 32.921 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.410 31.257 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.099 32.323 -13.746 1.00 0.00 H new ATOM 222 N GLN A 15 9.360 31.387 -7.118 1.00 0.00 N ATOM 223 CA GLN A 15 8.927 32.634 -6.511 1.00 0.00 C ATOM 224 C GLN A 15 10.113 33.578 -6.330 1.00 0.00 C ATOM 225 O GLN A 15 11.260 33.130 -6.257 1.00 0.00 O ATOM 226 CB GLN A 15 8.243 32.331 -5.174 1.00 0.00 C ATOM 227 CG GLN A 15 7.778 33.592 -4.440 1.00 0.00 C ATOM 228 CD GLN A 15 6.885 34.461 -5.318 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.013 33.958 -6.025 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.098 35.773 -5.279 1.00 0.00 N ATOM 0 H GLN A 15 10.360 31.207 -7.027 1.00 0.00 H new ATOM 0 HA GLN A 15 8.211 33.133 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.385 31.683 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.933 31.780 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.236 33.308 -3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.647 34.169 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.831 36.153 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.528 36.399 -5.848 1.00 0.00 H new ATOM 239 N TRP A 16 9.846 34.882 -6.257 1.00 0.00 N ATOM 240 CA TRP A 16 10.859 35.903 -6.033 1.00 0.00 C ATOM 241 C TRP A 16 10.850 36.334 -4.572 1.00 0.00 C ATOM 242 O TRP A 16 9.798 36.352 -3.932 1.00 0.00 O ATOM 243 CB TRP A 16 10.565 37.094 -6.945 1.00 0.00 C ATOM 244 CG TRP A 16 10.483 36.756 -8.401 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.414 36.202 -9.018 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.512 36.879 -9.431 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.712 35.970 -10.344 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.993 36.374 -10.657 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.827 37.374 -9.453 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.741 36.350 -11.838 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.585 37.364 -10.635 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.049 36.854 -11.827 1.00 0.00 C ATOM 0 H TRP A 16 8.904 35.260 -6.354 1.00 0.00 H new ATOM 0 HA TRP A 16 11.847 35.504 -6.264 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.623 37.548 -6.637 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.342 37.845 -6.803 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.470 35.976 -8.544 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.065 35.551 -11.012 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.262 37.768 -8.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.317 35.949 -12.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.592 37.753 -10.626 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.641 36.850 -12.731 1.00 0.00 H new ATOM 263 N ILE A 17 12.022 36.687 -4.045 1.00 0.00 N ATOM 264 CA ILE A 17 12.161 37.229 -2.698 1.00 0.00 C ATOM 265 C ILE A 17 12.997 38.508 -2.768 1.00 0.00 C ATOM 266 O ILE A 17 13.927 38.582 -3.570 1.00 0.00 O ATOM 267 CB ILE A 17 12.795 36.220 -1.728 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.863 35.360 -2.419 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.703 35.322 -1.140 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.627 34.504 -1.405 1.00 0.00 C ATOM 0 H ILE A 17 12.907 36.603 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 17 11.167 37.450 -2.309 1.00 0.00 H new ATOM 0 HB ILE A 17 13.286 36.779 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.391 34.715 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.561 36.003 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.152 34.606 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.978 35.934 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.201 34.785 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.376 33.906 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 17 15.119 35.152 -0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.931 33.844 -0.888 1.00 0.00 H new ATOM 282 N PRO A 18 12.685 39.513 -1.946 1.00 0.00 N ATOM 283 CA PRO A 18 13.399 40.777 -1.940 1.00 0.00 C ATOM 284 C PRO A 18 14.827 40.574 -1.450 1.00 0.00 C ATOM 285 O PRO A 18 15.102 39.653 -0.678 1.00 0.00 O ATOM 286 CB PRO A 18 12.606 41.690 -1.002 1.00 0.00 C ATOM 287 CG PRO A 18 11.943 40.700 -0.046 1.00 0.00 C ATOM 288 CD PRO A 18 11.632 39.510 -0.946 1.00 0.00 C ATOM 0 HA PRO A 18 13.477 41.213 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.255 42.389 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.870 42.284 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.607 40.424 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.040 41.114 0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.626 38.578 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.649 39.609 -1.407 1.00 0.00 H new ATOM 296 N THR A 19 15.742 41.433 -1.901 1.00 0.00 N ATOM 297 CA THR A 19 17.150 41.329 -1.536 1.00 0.00 C ATOM 298 C THR A 19 17.451 41.471 -0.049 1.00 0.00 C ATOM 299 O THR A 19 18.547 41.147 0.407 1.00 0.00 O ATOM 300 CB THR A 19 18.034 42.219 -2.412 1.00 0.00 C ATOM 301 OG1 THR A 19 17.394 42.486 -3.641 1.00 0.00 O ATOM 302 CG2 THR A 19 19.378 41.547 -2.680 1.00 0.00 C ATOM 0 H THR A 19 15.528 42.212 -2.523 1.00 0.00 H new ATOM 0 HA THR A 19 17.414 40.293 -1.748 1.00 0.00 H new ATOM 0 HB THR A 19 18.203 43.155 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.779 41.917 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 19 19.991 42.196 -3.305 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.889 41.365 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.215 40.599 -3.193 1.00 0.00 H new ATOM 310 N THR A 20 16.467 41.959 0.709 1.00 0.00 N ATOM 311 CA THR A 20 16.566 42.103 2.153 1.00 0.00 C ATOM 312 C THR A 20 16.200 40.849 2.947 1.00 0.00 C ATOM 313 O THR A 20 16.443 40.794 4.151 1.00 0.00 O ATOM 314 CB THR A 20 15.825 43.348 2.647 1.00 0.00 C ATOM 315 OG1 THR A 20 14.480 43.017 2.911 1.00 0.00 O ATOM 316 CG2 THR A 20 15.859 44.482 1.627 1.00 0.00 C ATOM 0 H THR A 20 15.572 42.267 0.329 1.00 0.00 H new ATOM 0 HA THR A 20 17.628 42.245 2.355 1.00 0.00 H new ATOM 0 HB THR A 20 16.328 43.691 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.004 43.812 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.320 45.343 2.022 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.894 44.761 1.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.387 44.153 0.701 1.00 0.00 H new ATOM 324 N GLU A 21 15.621 39.847 2.282 1.00 0.00 N ATOM 325 CA GLU A 21 15.209 38.609 2.929 1.00 0.00 C ATOM 326 C GLU A 21 15.993 37.404 2.421 1.00 0.00 C ATOM 327 O GLU A 21 16.043 36.377 3.096 1.00 0.00 O ATOM 328 CB GLU A 21 13.706 38.403 2.733 1.00 0.00 C ATOM 329 CG GLU A 21 12.871 39.495 3.408 1.00 0.00 C ATOM 330 CD GLU A 21 13.054 39.564 4.928 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.676 38.637 5.497 1.00 0.00 O ATOM 332 OE2 GLU A 21 12.568 40.557 5.520 1.00 0.00 O ATOM 0 H GLU A 21 15.427 39.875 1.281 1.00 0.00 H new ATOM 0 HA GLU A 21 15.427 38.697 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.481 38.385 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.420 37.431 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.135 40.460 2.976 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.818 39.323 3.186 1.00 0.00 H new ATOM 339 N VAL A 22 16.614 37.503 1.240 1.00 0.00 N ATOM 340 CA VAL A 22 17.439 36.415 0.733 1.00 0.00 C ATOM 341 C VAL A 22 18.681 36.216 1.593 1.00 0.00 C ATOM 342 O VAL A 22 19.247 35.127 1.644 1.00 0.00 O ATOM 343 CB VAL A 22 17.784 36.656 -0.742 1.00 0.00 C ATOM 344 CG1 VAL A 22 18.820 37.764 -0.910 1.00 0.00 C ATOM 345 CG2 VAL A 22 18.326 35.381 -1.373 1.00 0.00 C ATOM 0 H VAL A 22 16.559 38.317 0.628 1.00 0.00 H new ATOM 0 HA VAL A 22 16.871 35.487 0.792 1.00 0.00 H new ATOM 0 HB VAL A 22 16.863 36.961 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.036 37.903 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.430 38.693 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.735 37.489 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.567 35.567 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 22 19.226 35.067 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.574 34.595 -1.308 1.00 0.00 H new ATOM 355 N GLY A 23 19.099 37.283 2.277 1.00 0.00 N ATOM 356 CA GLY A 23 20.240 37.246 3.178 1.00 0.00 C ATOM 357 C GLY A 23 19.927 36.461 4.452 1.00 0.00 C ATOM 358 O GLY A 23 20.845 36.098 5.187 1.00 0.00 O ATOM 0 H GLY A 23 18.651 38.197 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.091 36.792 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.531 38.263 3.439 1.00 0.00 H new ATOM 362 N LYS A 24 18.647 36.190 4.727 1.00 0.00 N ATOM 363 CA LYS A 24 18.260 35.400 5.892 1.00 0.00 C ATOM 364 C LYS A 24 18.213 33.914 5.561 1.00 0.00 C ATOM 365 O LYS A 24 18.191 33.082 6.462 1.00 0.00 O ATOM 366 CB LYS A 24 16.902 35.870 6.433 1.00 0.00 C ATOM 367 CG LYS A 24 17.000 37.143 7.276 1.00 0.00 C ATOM 368 CD LYS A 24 17.511 38.351 6.491 1.00 0.00 C ATOM 369 CE LYS A 24 17.363 39.607 7.349 1.00 0.00 C ATOM 370 NZ LYS A 24 17.824 40.805 6.625 1.00 0.00 N ATOM 0 H LYS A 24 17.864 36.508 4.156 1.00 0.00 H new ATOM 0 HA LYS A 24 19.016 35.549 6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.226 36.046 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.463 35.075 7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.017 37.375 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.664 36.960 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.555 38.205 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.949 38.461 5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.319 39.732 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.936 39.492 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.588 41.655 7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.854 40.754 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.356 40.852 5.698 1.00 0.00 H new ATOM 384 N ILE A 25 18.198 33.583 4.267 1.00 0.00 N ATOM 385 CA ILE A 25 18.126 32.200 3.811 1.00 0.00 C ATOM 386 C ILE A 25 19.514 31.677 3.445 1.00 0.00 C ATOM 387 O ILE A 25 19.774 30.484 3.583 1.00 0.00 O ATOM 388 CB ILE A 25 17.176 32.116 2.609 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.789 32.670 2.962 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.063 30.676 2.106 1.00 0.00 C ATOM 391 CD1 ILE A 25 14.956 32.879 1.700 1.00 0.00 C ATOM 0 H ILE A 25 18.235 34.267 3.511 1.00 0.00 H new ATOM 0 HA ILE A 25 17.742 31.574 4.617 1.00 0.00 H new ATOM 0 HB ILE A 25 17.594 32.729 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.276 31.981 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.894 33.615 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.384 30.641 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.047 30.319 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.677 30.041 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.976 33.272 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.462 33.587 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.834 31.927 1.183 1.00 0.00 H new ATOM 403 N LEU A 26 20.402 32.563 2.977 1.00 0.00 N ATOM 404 CA LEU A 26 21.718 32.186 2.470 1.00 0.00 C ATOM 405 C LEU A 26 22.865 32.801 3.277 1.00 0.00 C ATOM 406 O LEU A 26 24.024 32.439 3.072 1.00 0.00 O ATOM 407 CB LEU A 26 21.825 32.616 1.000 1.00 0.00 C ATOM 408 CG LEU A 26 20.625 32.183 0.155 1.00 0.00 C ATOM 409 CD1 LEU A 26 20.793 32.742 -1.254 1.00 0.00 C ATOM 410 CD2 LEU A 26 20.541 30.658 0.084 1.00 0.00 C ATOM 0 H LEU A 26 20.222 33.566 2.941 1.00 0.00 H new ATOM 0 HA LEU A 26 21.813 31.104 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.922 33.701 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.734 32.195 0.571 1.00 0.00 H new ATOM 0 HG LEU A 26 19.710 32.562 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.944 32.441 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.842 33.830 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.713 32.355 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.682 30.369 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.452 30.264 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.430 30.253 1.090 1.00 0.00 H new ATOM 422 N GLY A 27 22.562 33.726 4.192 1.00 0.00 N ATOM 423 CA GLY A 27 23.579 34.437 4.958 1.00 0.00 C ATOM 424 C GLY A 27 24.198 33.592 6.067 1.00 0.00 C ATOM 425 O GLY A 27 25.163 34.019 6.702 1.00 0.00 O ATOM 0 H GLY A 27 21.606 34.000 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.366 34.770 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.135 35.331 5.396 1.00 0.00 H new ATOM 429 N ASN A 28 23.653 32.396 6.303 1.00 0.00 N ATOM 430 CA ASN A 28 24.136 31.480 7.323 1.00 0.00 C ATOM 431 C ASN A 28 24.621 30.190 6.657 1.00 0.00 C ATOM 432 O ASN A 28 24.236 29.093 7.058 1.00 0.00 O ATOM 433 CB ASN A 28 23.017 31.227 8.342 1.00 0.00 C ATOM 434 CG ASN A 28 23.511 30.456 9.560 1.00 0.00 C ATOM 435 OD1 ASN A 28 24.709 30.367 9.812 1.00 0.00 O ATOM 436 ND2 ASN A 28 22.585 29.895 10.330 1.00 0.00 N ATOM 0 H ASN A 28 22.853 32.038 5.781 1.00 0.00 H new ATOM 0 HA ASN A 28 24.982 31.909 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 28 22.598 32.181 8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 28 22.211 30.670 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 28 22.861 29.371 11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 28 21.598 29.989 10.091 1.00 0.00 H new ATOM 443 N ARG A 29 25.473 30.328 5.633 1.00 0.00 N ATOM 444 CA ARG A 29 25.975 29.207 4.842 1.00 0.00 C ATOM 445 C ARG A 29 24.831 28.373 4.271 1.00 0.00 C ATOM 446 O ARG A 29 24.980 27.171 4.043 1.00 0.00 O ATOM 447 CB ARG A 29 26.979 28.370 5.649 1.00 0.00 C ATOM 448 CG ARG A 29 28.146 29.239 6.127 1.00 0.00 C ATOM 449 CD ARG A 29 29.145 28.400 6.929 1.00 0.00 C ATOM 450 NE ARG A 29 29.749 27.344 6.103 1.00 0.00 N ATOM 451 CZ ARG A 29 30.833 27.505 5.340 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.450 28.681 5.274 1.00 0.00 N ATOM 453 NH2 ARG A 29 31.305 26.482 4.634 1.00 0.00 N ATOM 0 H ARG A 29 25.834 31.233 5.331 1.00 0.00 H new ATOM 0 HA ARG A 29 26.518 29.607 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.479 27.920 6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.356 27.552 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.646 29.690 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 27.770 30.056 6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.928 29.046 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 29 28.640 27.950 7.784 1.00 0.00 H new ATOM 0 HE ARG A 29 29.309 26.424 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.096 29.473 5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.277 28.791 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 29 30.839 25.576 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.133 26.604 4.051 1.00 0.00 H new ATOM 467 N ALA A 30 23.689 29.029 4.045 1.00 0.00 N ATOM 468 CA ALA A 30 22.453 28.413 3.592 1.00 0.00 C ATOM 469 C ALA A 30 21.981 27.277 4.500 1.00 0.00 C ATOM 470 O ALA A 30 21.180 26.444 4.078 1.00 0.00 O ATOM 471 CB ALA A 30 22.572 27.992 2.126 1.00 0.00 C ATOM 0 H ALA A 30 23.604 30.037 4.179 1.00 0.00 H new ATOM 0 HA ALA A 30 21.668 29.166 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.638 27.532 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.777 28.868 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.386 27.275 2.018 1.00 0.00 H new ATOM 477 N ALA A 31 22.464 27.225 5.743 1.00 0.00 N ATOM 478 CA ALA A 31 22.069 26.187 6.683 1.00 0.00 C ATOM 479 C ALA A 31 20.570 26.269 6.977 1.00 0.00 C ATOM 480 O ALA A 31 19.967 25.275 7.369 1.00 0.00 O ATOM 481 CB ALA A 31 22.875 26.355 7.971 1.00 0.00 C ATOM 0 H ALA A 31 23.133 27.897 6.119 1.00 0.00 H new ATOM 0 HA ALA A 31 22.271 25.208 6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.587 25.582 8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.938 26.266 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.675 27.337 8.400 1.00 0.00 H new ATOM 487 N VAL A 32 19.969 27.450 6.784 1.00 0.00 N ATOM 488 CA VAL A 32 18.537 27.633 6.960 1.00 0.00 C ATOM 489 C VAL A 32 17.791 26.972 5.804 1.00 0.00 C ATOM 490 O VAL A 32 16.752 26.351 6.011 1.00 0.00 O ATOM 491 CB VAL A 32 18.217 29.134 7.024 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.714 29.366 7.146 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.918 29.772 8.222 1.00 0.00 C ATOM 0 H VAL A 32 20.465 28.296 6.503 1.00 0.00 H new ATOM 0 HA VAL A 32 18.217 27.167 7.892 1.00 0.00 H new ATOM 0 HB VAL A 32 18.574 29.591 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.513 30.437 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.208 28.937 6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.345 28.891 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.684 30.836 8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.576 29.295 9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.996 29.641 8.125 1.00 0.00 H new ATOM 503 N LYS A 33 18.317 27.096 4.581 1.00 0.00 N ATOM 504 CA LYS A 33 17.714 26.478 3.410 1.00 0.00 C ATOM 505 C LYS A 33 17.859 24.962 3.492 1.00 0.00 C ATOM 506 O LYS A 33 16.927 24.222 3.186 1.00 0.00 O ATOM 507 CB LYS A 33 18.397 27.014 2.151 1.00 0.00 C ATOM 508 CG LYS A 33 17.710 26.485 0.892 1.00 0.00 C ATOM 509 CD LYS A 33 18.404 27.020 -0.365 1.00 0.00 C ATOM 510 CE LYS A 33 19.771 26.365 -0.585 1.00 0.00 C ATOM 511 NZ LYS A 33 19.638 24.937 -0.934 1.00 0.00 N ATOM 0 H LYS A 33 19.166 27.625 4.382 1.00 0.00 H new ATOM 0 HA LYS A 33 16.652 26.721 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.371 28.104 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.447 26.720 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.731 25.395 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.662 26.783 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.771 26.840 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.528 28.100 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.302 26.887 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.373 26.465 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.575 24.546 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.231 24.419 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.015 24.838 -1.761 1.00 0.00 H new ATOM 525 N LYS A 34 19.043 24.507 3.911 1.00 0.00 N ATOM 526 CA LYS A 34 19.378 23.091 4.003 1.00 0.00 C ATOM 527 C LYS A 34 18.566 22.376 5.081 1.00 0.00 C ATOM 528 O LYS A 34 18.409 21.158 5.015 1.00 0.00 O ATOM 529 CB LYS A 34 20.878 22.953 4.282 1.00 0.00 C ATOM 530 CG LYS A 34 21.699 23.445 3.085 1.00 0.00 C ATOM 531 CD LYS A 34 23.155 23.655 3.505 1.00 0.00 C ATOM 532 CE LYS A 34 23.960 24.183 2.316 1.00 0.00 C ATOM 533 NZ LYS A 34 25.327 24.554 2.720 1.00 0.00 N ATOM 0 H LYS A 34 19.803 25.123 4.199 1.00 0.00 H new ATOM 0 HA LYS A 34 19.128 22.616 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.142 23.526 5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 34 21.120 21.911 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.646 22.719 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.282 24.378 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.207 24.360 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.582 22.716 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.002 23.423 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.456 25.050 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.934 24.614 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.309 25.476 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.705 23.834 3.368 1.00 0.00 H new ATOM 547 N HIS A 35 18.047 23.107 6.072 1.00 0.00 N ATOM 548 CA HIS A 35 17.236 22.495 7.116 1.00 0.00 C ATOM 549 C HIS A 35 15.793 22.309 6.644 1.00 0.00 C ATOM 550 O HIS A 35 15.115 21.389 7.091 1.00 0.00 O ATOM 551 CB HIS A 35 17.281 23.361 8.372 1.00 0.00 C ATOM 552 CG HIS A 35 16.633 22.682 9.549 1.00 0.00 C ATOM 553 ND1 HIS A 35 17.185 21.677 10.323 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.394 22.961 10.052 1.00 0.00 C ATOM 555 CE1 HIS A 35 16.298 21.361 11.285 1.00 0.00 C ATOM 556 NE2 HIS A 35 15.205 22.130 11.139 1.00 0.00 N ATOM 0 H HIS A 35 18.175 24.114 6.169 1.00 0.00 H new ATOM 0 HA HIS A 35 17.642 21.510 7.346 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.318 23.595 8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.778 24.308 8.178 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.695 23.692 9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 35 16.441 20.612 12.050 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.375 22.104 11.732 1.00 0.00 H new ATOM 565 N ILE A 36 15.317 23.174 5.744 1.00 0.00 N ATOM 566 CA ILE A 36 13.973 23.043 5.190 1.00 0.00 C ATOM 567 C ILE A 36 13.922 21.878 4.206 1.00 0.00 C ATOM 568 O ILE A 36 12.883 21.241 4.045 1.00 0.00 O ATOM 569 CB ILE A 36 13.555 24.376 4.551 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.423 25.424 5.662 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.229 24.230 3.795 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.144 26.817 5.097 1.00 0.00 C ATOM 0 H ILE A 36 15.844 23.970 5.386 1.00 0.00 H new ATOM 0 HA ILE A 36 13.258 22.818 5.981 1.00 0.00 H new ATOM 0 HB ILE A 36 14.311 24.687 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.617 25.138 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.340 25.447 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.955 25.188 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.339 23.484 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.448 23.914 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.057 27.531 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.962 27.114 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.213 26.800 4.530 1.00 0.00 H new ATOM 584 N GLU A 37 15.047 21.585 3.548 1.00 0.00 N ATOM 585 CA GLU A 37 15.153 20.424 2.677 1.00 0.00 C ATOM 586 C GLU A 37 15.080 19.144 3.505 1.00 0.00 C ATOM 587 O GLU A 37 14.639 18.107 3.013 1.00 0.00 O ATOM 588 CB GLU A 37 16.483 20.491 1.923 1.00 0.00 C ATOM 589 CG GLU A 37 16.508 21.691 0.974 1.00 0.00 C ATOM 590 CD GLU A 37 17.852 21.829 0.254 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.769 21.030 0.549 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.951 22.742 -0.594 1.00 0.00 O ATOM 0 H GLU A 37 15.899 22.143 3.606 1.00 0.00 H new ATOM 0 HA GLU A 37 14.329 20.421 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.306 20.566 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.633 19.571 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.712 21.586 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.304 22.602 1.537 1.00 0.00 H new ATOM 599 N ARG A 38 15.512 19.214 4.768 1.00 0.00 N ATOM 600 CA ARG A 38 15.463 18.103 5.707 1.00 0.00 C ATOM 601 C ARG A 38 14.105 18.030 6.406 1.00 0.00 C ATOM 602 O ARG A 38 13.737 16.988 6.950 1.00 0.00 O ATOM 603 CB ARG A 38 16.615 18.293 6.702 1.00 0.00 C ATOM 604 CG ARG A 38 16.544 17.325 7.886 1.00 0.00 C ATOM 605 CD ARG A 38 17.819 17.436 8.726 1.00 0.00 C ATOM 606 NE ARG A 38 17.779 16.526 9.877 1.00 0.00 N ATOM 607 CZ ARG A 38 18.300 15.296 9.890 1.00 0.00 C ATOM 608 NH1 ARG A 38 18.900 14.796 8.812 1.00 0.00 N ATOM 609 NH2 ARG A 38 18.224 14.550 10.988 1.00 0.00 N ATOM 0 H ARG A 38 15.912 20.063 5.168 1.00 0.00 H new ATOM 0 HA ARG A 38 15.580 17.153 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.563 18.155 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.601 19.317 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.672 17.551 8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 38 16.423 16.304 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.686 17.205 8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.940 18.462 9.074 1.00 0.00 H new ATOM 0 HE ARG A 38 17.321 16.856 10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.967 15.354 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.293 13.855 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.767 14.917 11.823 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.623 13.611 10.995 1.00 0.00 H new ATOM 623 N GLN A 39 13.360 19.139 6.393 1.00 0.00 N ATOM 624 CA GLN A 39 12.056 19.239 7.029 1.00 0.00 C ATOM 625 C GLN A 39 10.950 18.675 6.136 1.00 0.00 C ATOM 626 O GLN A 39 9.936 18.197 6.639 1.00 0.00 O ATOM 627 CB GLN A 39 11.792 20.715 7.332 1.00 0.00 C ATOM 628 CG GLN A 39 10.400 20.949 7.923 1.00 0.00 C ATOM 629 CD GLN A 39 10.185 22.406 8.317 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.133 23.137 8.597 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.928 22.836 8.344 1.00 0.00 N ATOM 0 H GLN A 39 13.655 20.000 5.933 1.00 0.00 H new ATOM 0 HA GLN A 39 12.055 18.651 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.546 21.081 8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.897 21.296 6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.643 20.654 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.266 20.313 8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.166 22.201 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.725 23.801 8.603 1.00 0.00 H new ATOM 640 N PHE A 40 11.150 18.731 4.815 1.00 0.00 N ATOM 641 CA PHE A 40 10.160 18.290 3.843 1.00 0.00 C ATOM 642 C PHE A 40 10.650 17.294 2.800 1.00 0.00 C ATOM 643 O PHE A 40 9.920 16.956 1.870 1.00 0.00 O ATOM 644 CB PHE A 40 9.439 19.486 3.224 1.00 0.00 C ATOM 645 CG PHE A 40 8.513 20.206 4.175 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.752 21.551 4.496 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.419 19.537 4.740 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.895 22.225 5.370 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.569 20.209 5.631 1.00 0.00 C ATOM 650 CZ PHE A 40 6.808 21.553 5.944 1.00 0.00 C ATOM 0 H PHE A 40 12.009 19.086 4.394 1.00 0.00 H new ATOM 0 HA PHE A 40 9.441 17.704 4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.182 20.192 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.865 19.145 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.599 22.066 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.230 18.504 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.071 23.265 5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.732 19.691 6.075 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.154 22.072 6.629 1.00 0.00 H new ATOM 660 N ASN A 41 11.893 16.826 2.960 1.00 0.00 N ATOM 661 CA ASN A 41 12.559 15.939 2.011 1.00 0.00 C ATOM 662 C ASN A 41 12.627 16.540 0.605 1.00 0.00 C ATOM 663 O ASN A 41 12.894 15.833 -0.366 1.00 0.00 O ATOM 664 CB ASN A 41 11.921 14.544 2.034 1.00 0.00 C ATOM 665 CG ASN A 41 11.967 13.909 3.418 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.752 14.309 4.277 1.00 0.00 O ATOM 667 ND2 ASN A 41 11.123 12.907 3.649 1.00 0.00 N ATOM 0 H ASN A 41 12.471 17.059 3.768 1.00 0.00 H new ATOM 0 HA ASN A 41 13.595 15.825 2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.885 14.616 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.438 13.899 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.114 12.447 4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.484 12.599 2.916 1.00 0.00 H new ATOM 674 N CYS A 42 12.387 17.849 0.495 1.00 0.00 N ATOM 675 CA CYS A 42 12.414 18.582 -0.758 1.00 0.00 C ATOM 676 C CYS A 42 13.819 19.119 -1.032 1.00 0.00 C ATOM 677 O CYS A 42 14.749 18.874 -0.266 1.00 0.00 O ATOM 678 CB CYS A 42 11.405 19.731 -0.664 1.00 0.00 C ATOM 679 SG CYS A 42 11.910 20.870 0.649 1.00 0.00 S ATOM 0 H CYS A 42 12.164 18.436 1.299 1.00 0.00 H new ATOM 0 HA CYS A 42 12.146 17.922 -1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.348 20.259 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.409 19.339 -0.457 1.00 0.00 H new ATOM 0 HG CYS A 42 11.908 22.087 0.192 1.00 0.00 H new ATOM 685 N VAL A 43 13.966 19.855 -2.133 1.00 0.00 N ATOM 686 CA VAL A 43 15.201 20.545 -2.485 1.00 0.00 C ATOM 687 C VAL A 43 14.862 21.985 -2.858 1.00 0.00 C ATOM 688 O VAL A 43 13.795 22.241 -3.414 1.00 0.00 O ATOM 689 CB VAL A 43 15.923 19.812 -3.622 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.214 20.532 -4.008 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.260 18.379 -3.210 1.00 0.00 C ATOM 0 H VAL A 43 13.218 19.989 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 43 15.884 20.554 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 43 15.250 19.799 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.705 19.990 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.981 21.544 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.878 20.576 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.772 17.875 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.908 18.395 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.341 17.843 -2.972 1.00 0.00 H new ATOM 701 N ILE A 44 15.759 22.928 -2.556 1.00 0.00 N ATOM 702 CA ILE A 44 15.530 24.338 -2.841 1.00 0.00 C ATOM 703 C ILE A 44 16.759 24.933 -3.522 1.00 0.00 C ATOM 704 O ILE A 44 17.890 24.613 -3.159 1.00 0.00 O ATOM 705 CB ILE A 44 15.161 25.093 -1.555 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.901 24.485 -0.921 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.943 26.583 -1.846 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.515 25.183 0.383 1.00 0.00 C ATOM 0 H ILE A 44 16.656 22.733 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 44 14.687 24.439 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 44 15.988 24.997 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.073 24.553 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.069 23.425 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.683 27.100 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.858 27.011 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.134 26.698 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.619 24.718 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.331 25.092 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.320 26.237 0.187 1.00 0.00 H new ATOM 720 N THR A 45 16.535 25.799 -4.514 1.00 0.00 N ATOM 721 CA THR A 45 17.603 26.405 -5.294 1.00 0.00 C ATOM 722 C THR A 45 17.393 27.881 -5.592 1.00 0.00 C ATOM 723 O THR A 45 16.550 28.231 -6.416 1.00 0.00 O ATOM 724 CB THR A 45 17.850 25.618 -6.585 1.00 0.00 C ATOM 725 OG1 THR A 45 17.780 24.225 -6.368 1.00 0.00 O ATOM 726 CG2 THR A 45 19.205 25.982 -7.178 1.00 0.00 C ATOM 0 H THR A 45 15.601 26.097 -4.795 1.00 0.00 H new ATOM 0 HA THR A 45 18.492 26.354 -4.666 1.00 0.00 H new ATOM 0 HB THR A 45 17.063 25.889 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.941 23.754 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.365 25.414 -8.095 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.229 27.048 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 45 19.991 25.744 -6.462 1.00 0.00 H new ATOM 734 N VAL A 46 18.158 28.751 -4.927 1.00 0.00 N ATOM 735 CA VAL A 46 18.110 30.177 -5.217 1.00 0.00 C ATOM 736 C VAL A 46 18.924 30.491 -6.465 1.00 0.00 C ATOM 737 O VAL A 46 20.105 30.155 -6.548 1.00 0.00 O ATOM 738 CB VAL A 46 18.526 31.025 -4.011 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.169 32.488 -4.268 1.00 0.00 C ATOM 740 CG2 VAL A 46 17.809 30.551 -2.747 1.00 0.00 C ATOM 0 H VAL A 46 18.813 28.490 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 46 17.075 30.448 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 46 19.602 30.921 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.465 33.091 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.693 32.840 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.094 32.579 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.118 31.166 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.731 30.639 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.066 29.510 -2.552 1.00 0.00 H new ATOM 750 N HIS A 47 18.283 31.137 -7.441 1.00 0.00 N ATOM 751 CA HIS A 47 18.881 31.439 -8.730 1.00 0.00 C ATOM 752 C HIS A 47 19.485 32.842 -8.736 1.00 0.00 C ATOM 753 O HIS A 47 18.979 33.742 -9.405 1.00 0.00 O ATOM 754 CB HIS A 47 17.824 31.235 -9.816 1.00 0.00 C ATOM 755 CG HIS A 47 17.628 29.784 -10.178 1.00 0.00 C ATOM 756 ND1 HIS A 47 18.454 29.043 -10.997 1.00 0.00 N ATOM 757 CD2 HIS A 47 16.604 28.974 -9.772 1.00 0.00 C ATOM 758 CE1 HIS A 47 17.939 27.803 -11.092 1.00 0.00 C ATOM 759 NE2 HIS A 47 16.808 27.741 -10.365 1.00 0.00 N ATOM 0 H HIS A 47 17.322 31.467 -7.351 1.00 0.00 H new ATOM 0 HA HIS A 47 19.711 30.762 -8.933 1.00 0.00 H new ATOM 0 HB2 HIS A 47 16.876 31.651 -9.476 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.114 31.791 -10.708 1.00 0.00 H new ATOM 0 HD1 HIS A 47 19.305 29.376 -11.451 1.00 0.00 H new ATOM 0 HD2 HIS A 47 15.791 29.245 -9.114 1.00 0.00 H new ATOM 0 HE1 HIS A 47 18.365 26.989 -11.660 1.00 0.00 H new ATOM 768 N THR A 48 20.570 33.027 -7.981 1.00 0.00 N ATOM 769 CA THR A 48 21.239 34.314 -7.836 1.00 0.00 C ATOM 770 C THR A 48 21.891 34.867 -9.104 1.00 0.00 C ATOM 771 O THR A 48 22.300 36.028 -9.134 1.00 0.00 O ATOM 772 CB THR A 48 22.184 34.344 -6.631 1.00 0.00 C ATOM 773 OG1 THR A 48 23.473 33.926 -7.024 1.00 0.00 O ATOM 774 CG2 THR A 48 21.699 33.447 -5.491 1.00 0.00 C ATOM 0 H THR A 48 21.011 32.277 -7.449 1.00 0.00 H new ATOM 0 HA THR A 48 20.426 35.012 -7.639 1.00 0.00 H new ATOM 0 HB THR A 48 22.207 35.371 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.074 33.949 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.402 33.502 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.717 33.781 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.632 32.417 -5.842 1.00 0.00 H new ATOM 782 N GLU A 49 21.994 34.049 -10.156 1.00 0.00 N ATOM 783 CA GLU A 49 22.503 34.503 -11.443 1.00 0.00 C ATOM 784 C GLU A 49 21.445 35.328 -12.180 1.00 0.00 C ATOM 785 O GLU A 49 21.746 35.954 -13.193 1.00 0.00 O ATOM 786 CB GLU A 49 22.979 33.307 -12.278 1.00 0.00 C ATOM 787 CG GLU A 49 21.854 32.383 -12.767 1.00 0.00 C ATOM 788 CD GLU A 49 21.327 31.415 -11.706 1.00 0.00 C ATOM 789 OE1 GLU A 49 21.884 31.376 -10.588 1.00 0.00 O ATOM 790 OE2 GLU A 49 20.350 30.705 -12.029 1.00 0.00 O ATOM 0 H GLU A 49 21.729 33.064 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 49 23.362 35.153 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.528 33.679 -13.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.680 32.721 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.027 32.996 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.217 31.808 -13.619 1.00 0.00 H new ATOM 797 N VAL A 50 20.205 35.327 -11.671 1.00 0.00 N ATOM 798 CA VAL A 50 19.109 36.116 -12.215 1.00 0.00 C ATOM 799 C VAL A 50 18.917 37.402 -11.415 1.00 0.00 C ATOM 800 O VAL A 50 19.283 37.469 -10.241 1.00 0.00 O ATOM 801 CB VAL A 50 17.817 35.285 -12.244 1.00 0.00 C ATOM 802 CG1 VAL A 50 16.682 36.036 -12.944 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.039 33.957 -12.963 1.00 0.00 C ATOM 0 H VAL A 50 19.939 34.769 -10.860 1.00 0.00 H new ATOM 0 HA VAL A 50 19.358 36.396 -13.239 1.00 0.00 H new ATOM 0 HB VAL A 50 17.538 35.101 -11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 50 15.784 35.418 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.481 36.967 -12.414 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.972 36.258 -13.971 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.110 33.387 -12.970 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.356 34.147 -13.988 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.810 33.387 -12.445 1.00 0.00 H new ATOM 813 N GLN A 51 18.340 38.424 -12.049 1.00 0.00 N ATOM 814 CA GLN A 51 18.051 39.693 -11.401 1.00 0.00 C ATOM 815 C GLN A 51 16.783 40.298 -11.994 1.00 0.00 C ATOM 816 O GLN A 51 16.705 40.535 -13.201 1.00 0.00 O ATOM 817 CB GLN A 51 19.255 40.627 -11.564 1.00 0.00 C ATOM 818 CG GLN A 51 18.972 42.017 -10.990 1.00 0.00 C ATOM 819 CD GLN A 51 20.213 42.905 -11.012 1.00 0.00 C ATOM 820 OE1 GLN A 51 21.298 42.482 -11.403 1.00 0.00 O ATOM 821 NE2 GLN A 51 20.060 44.157 -10.587 1.00 0.00 N ATOM 0 H GLN A 51 18.061 38.389 -13.030 1.00 0.00 H new ATOM 0 HA GLN A 51 17.878 39.542 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.121 40.195 -11.063 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.508 40.714 -12.621 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.176 42.491 -11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.613 41.920 -9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.146 44.479 -10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.856 44.794 -10.580 1.00 0.00 H new ATOM 830 N SER A 52 15.790 40.550 -11.138 1.00 0.00 N ATOM 831 CA SER A 52 14.528 41.162 -11.533 1.00 0.00 C ATOM 832 C SER A 52 14.699 42.659 -11.782 1.00 0.00 C ATOM 833 O SER A 52 15.733 43.236 -11.445 1.00 0.00 O ATOM 834 CB SER A 52 13.487 40.908 -10.441 1.00 0.00 C ATOM 835 OG SER A 52 12.259 41.512 -10.783 1.00 0.00 O ATOM 0 H SER A 52 15.844 40.331 -10.143 1.00 0.00 H new ATOM 0 HA SER A 52 14.190 40.714 -12.467 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.347 39.836 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.843 41.306 -9.491 1.00 0.00 H new ATOM 0 HG SER A 52 11.745 41.691 -9.968 1.00 0.00 H new ATOM 841 N SER A 53 13.686 43.297 -12.375 1.00 0.00 N ATOM 842 CA SER A 53 13.691 44.733 -12.640 1.00 0.00 C ATOM 843 C SER A 53 13.708 45.536 -11.340 1.00 0.00 C ATOM 844 O SER A 53 13.875 46.751 -11.363 1.00 0.00 O ATOM 845 CB SER A 53 12.454 45.101 -13.462 1.00 0.00 C ATOM 846 OG SER A 53 12.485 44.430 -14.706 1.00 0.00 O ATOM 0 H SER A 53 12.836 42.826 -12.685 1.00 0.00 H new ATOM 0 HA SER A 53 14.594 44.978 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.550 44.831 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.420 46.179 -13.621 1.00 0.00 H new ATOM 0 HG SER A 53 11.690 44.669 -15.226 1.00 0.00 H new ATOM 852 N PHE A 54 13.536 44.840 -10.209 1.00 0.00 N ATOM 853 CA PHE A 54 13.620 45.408 -8.874 1.00 0.00 C ATOM 854 C PHE A 54 14.723 44.846 -7.973 1.00 0.00 C ATOM 855 O PHE A 54 14.743 45.086 -6.768 1.00 0.00 O ATOM 856 CB PHE A 54 12.241 45.585 -8.226 1.00 0.00 C ATOM 857 CG PHE A 54 11.287 44.438 -8.489 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.456 43.222 -7.815 1.00 0.00 C ATOM 859 CD2 PHE A 54 10.237 44.593 -9.406 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.566 42.162 -8.048 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.349 43.532 -9.643 1.00 0.00 C ATOM 862 CZ PHE A 54 9.515 42.317 -8.964 1.00 0.00 C ATOM 0 H PHE A 54 13.330 43.841 -10.206 1.00 0.00 H new ATOM 0 HA PHE A 54 13.993 46.422 -9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.368 45.699 -7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.794 46.508 -8.594 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.271 43.100 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.112 45.529 -9.930 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.690 41.227 -7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.539 43.652 -10.347 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.833 41.500 -9.146 1.00 0.00 H new ATOM 872 N GLY A 55 15.648 44.089 -8.574 1.00 0.00 N ATOM 873 CA GLY A 55 16.813 43.544 -7.891 1.00 0.00 C ATOM 874 C GLY A 55 16.526 42.270 -7.100 1.00 0.00 C ATOM 875 O GLY A 55 17.447 41.708 -6.509 1.00 0.00 O ATOM 0 H GLY A 55 15.602 43.838 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.589 43.336 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.211 44.299 -7.213 1.00 0.00 H new ATOM 879 N ALA A 56 15.271 41.804 -7.078 1.00 0.00 N ATOM 880 CA ALA A 56 14.889 40.635 -6.301 1.00 0.00 C ATOM 881 C ALA A 56 15.480 39.353 -6.884 1.00 0.00 C ATOM 882 O ALA A 56 15.752 39.271 -8.082 1.00 0.00 O ATOM 883 CB ALA A 56 13.366 40.540 -6.253 1.00 0.00 C ATOM 0 H ALA A 56 14.502 42.228 -7.597 1.00 0.00 H new ATOM 0 HA ALA A 56 15.286 40.747 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.074 39.665 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.960 41.438 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.975 40.449 -7.266 1.00 0.00 H new ATOM 889 N THR A 57 15.671 38.355 -6.021 1.00 0.00 N ATOM 890 CA THR A 57 16.196 37.050 -6.401 1.00 0.00 C ATOM 891 C THR A 57 15.142 35.949 -6.475 1.00 0.00 C ATOM 892 O THR A 57 14.415 35.739 -5.505 1.00 0.00 O ATOM 893 CB THR A 57 17.400 36.652 -5.546 1.00 0.00 C ATOM 894 OG1 THR A 57 18.152 37.788 -5.183 1.00 0.00 O ATOM 895 CG2 THR A 57 18.285 35.661 -6.300 1.00 0.00 C ATOM 0 H THR A 57 15.462 38.435 -5.026 1.00 0.00 H new ATOM 0 HA THR A 57 16.547 37.164 -7.427 1.00 0.00 H new ATOM 0 HB THR A 57 17.029 36.176 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.917 37.513 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.137 35.388 -5.678 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.709 34.767 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.641 36.120 -7.222 1.00 0.00 H new ATOM 903 N PRO A 58 15.037 35.229 -7.601 1.00 0.00 N ATOM 904 CA PRO A 58 14.126 34.112 -7.743 1.00 0.00 C ATOM 905 C PRO A 58 14.699 32.860 -7.079 1.00 0.00 C ATOM 906 O PRO A 58 15.908 32.733 -6.899 1.00 0.00 O ATOM 907 CB PRO A 58 13.959 33.925 -9.245 1.00 0.00 C ATOM 908 CG PRO A 58 15.320 34.348 -9.792 1.00 0.00 C ATOM 909 CD PRO A 58 15.776 35.444 -8.830 1.00 0.00 C ATOM 0 HA PRO A 58 13.168 34.295 -7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.724 32.892 -9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.154 34.543 -9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.021 33.514 -9.809 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.242 34.720 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.850 35.387 -8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.572 36.433 -9.240 1.00 0.00 H new ATOM 917 N VAL A 59 13.812 31.930 -6.717 1.00 0.00 N ATOM 918 CA VAL A 59 14.189 30.667 -6.099 1.00 0.00 C ATOM 919 C VAL A 59 13.208 29.599 -6.574 1.00 0.00 C ATOM 920 O VAL A 59 12.036 29.880 -6.818 1.00 0.00 O ATOM 921 CB VAL A 59 14.184 30.803 -4.568 1.00 0.00 C ATOM 922 CG1 VAL A 59 12.886 31.420 -4.045 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.364 29.446 -3.889 1.00 0.00 C ATOM 0 H VAL A 59 12.806 32.038 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 59 15.200 30.381 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 59 15.019 31.461 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.931 31.495 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.758 32.414 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.043 30.791 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.356 29.577 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.550 28.782 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.315 29.009 -4.195 1.00 0.00 H new ATOM 933 N GLU A 60 13.707 28.369 -6.699 1.00 0.00 N ATOM 934 CA GLU A 60 12.917 27.215 -7.096 1.00 0.00 C ATOM 935 C GLU A 60 12.882 26.170 -5.988 1.00 0.00 C ATOM 936 O GLU A 60 13.744 26.152 -5.110 1.00 0.00 O ATOM 937 CB GLU A 60 13.466 26.605 -8.387 1.00 0.00 C ATOM 938 CG GLU A 60 12.997 27.405 -9.606 1.00 0.00 C ATOM 939 CD GLU A 60 13.618 26.890 -10.906 1.00 0.00 C ATOM 940 OE1 GLU A 60 13.224 27.406 -11.975 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.482 25.988 -10.825 1.00 0.00 O ATOM 0 H GLU A 60 14.687 28.148 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 60 11.897 27.553 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.555 26.589 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.135 25.570 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.911 27.352 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.257 28.455 -9.472 1.00 0.00 H new ATOM 948 N ILE A 61 11.871 25.301 -6.045 1.00 0.00 N ATOM 949 CA ILE A 61 11.692 24.219 -5.090 1.00 0.00 C ATOM 950 C ILE A 61 11.379 22.945 -5.867 1.00 0.00 C ATOM 951 O ILE A 61 10.758 23.011 -6.927 1.00 0.00 O ATOM 952 CB ILE A 61 10.572 24.568 -4.101 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.842 25.938 -3.465 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.420 23.470 -3.042 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.727 26.340 -2.503 1.00 0.00 C ATOM 0 H ILE A 61 11.149 25.334 -6.765 1.00 0.00 H new ATOM 0 HA ILE A 61 12.600 24.067 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 61 9.627 24.628 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.792 25.911 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.937 26.691 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.620 23.739 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.177 22.526 -3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.355 23.364 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.953 27.315 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.782 26.392 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.650 25.600 -1.706 1.00 0.00 H new ATOM 967 N VAL A 62 11.800 21.792 -5.343 1.00 0.00 N ATOM 968 CA VAL A 62 11.575 20.500 -5.974 1.00 0.00 C ATOM 969 C VAL A 62 11.175 19.437 -4.959 1.00 0.00 C ATOM 970 O VAL A 62 11.747 19.373 -3.870 1.00 0.00 O ATOM 971 CB VAL A 62 12.805 20.066 -6.785 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.461 18.867 -7.664 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.326 21.200 -7.670 1.00 0.00 C ATOM 0 H VAL A 62 12.310 21.734 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 62 10.739 20.612 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 62 13.585 19.795 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.341 18.569 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.137 18.037 -7.036 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.659 19.137 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.196 20.855 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.546 21.506 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.608 22.048 -7.046 1.00 0.00 H new ATOM 983 N ALA A 63 10.193 18.603 -5.312 1.00 0.00 N ATOM 984 CA ALA A 63 9.716 17.536 -4.448 1.00 0.00 C ATOM 985 C ALA A 63 8.987 16.472 -5.261 1.00 0.00 C ATOM 986 O ALA A 63 8.679 16.674 -6.434 1.00 0.00 O ATOM 987 CB ALA A 63 8.775 18.121 -3.393 1.00 0.00 C ATOM 0 H ALA A 63 9.709 18.654 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 63 10.570 17.068 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.416 17.323 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.311 18.860 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.927 18.597 -3.886 1.00 0.00 H new ATOM 993 N GLN A 64 8.702 15.326 -4.632 1.00 0.00 N ATOM 994 CA GLN A 64 7.998 14.233 -5.285 1.00 0.00 C ATOM 995 C GLN A 64 6.517 14.563 -5.490 1.00 0.00 C ATOM 996 O GLN A 64 5.851 13.932 -6.307 1.00 0.00 O ATOM 997 CB GLN A 64 8.183 12.971 -4.437 1.00 0.00 C ATOM 998 CG GLN A 64 7.443 11.765 -5.024 1.00 0.00 C ATOM 999 CD GLN A 64 7.828 10.466 -4.325 1.00 0.00 C ATOM 1000 OE1 GLN A 64 8.603 10.458 -3.372 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.287 9.346 -4.795 1.00 0.00 N ATOM 0 H GLN A 64 8.954 15.137 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 64 8.413 14.069 -6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.245 12.740 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.823 13.159 -3.426 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.368 11.920 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.666 11.685 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.646 9.383 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.513 8.450 -4.363 1.00 0.00 H new ATOM 1010 N ASN A 65 5.996 15.552 -4.753 1.00 0.00 N ATOM 1011 CA ASN A 65 4.595 15.937 -4.832 1.00 0.00 C ATOM 1012 C ASN A 65 4.381 17.387 -4.378 1.00 0.00 C ATOM 1013 O ASN A 65 5.245 17.981 -3.732 1.00 0.00 O ATOM 1014 CB ASN A 65 3.755 14.971 -3.986 1.00 0.00 C ATOM 1015 CG ASN A 65 4.304 14.809 -2.573 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.697 15.781 -1.935 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.330 13.585 -2.065 1.00 0.00 N ATOM 0 H ASN A 65 6.539 16.103 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 65 4.276 15.878 -5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.729 15.335 -3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.724 13.997 -4.475 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.683 13.432 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.997 12.796 -2.619 1.00 0.00 H new ATOM 1024 N LYS A 66 3.221 17.960 -4.717 1.00 0.00 N ATOM 1025 CA LYS A 66 2.861 19.306 -4.287 1.00 0.00 C ATOM 1026 C LYS A 66 2.526 19.337 -2.800 1.00 0.00 C ATOM 1027 O LYS A 66 2.513 20.405 -2.194 1.00 0.00 O ATOM 1028 CB LYS A 66 1.674 19.817 -5.108 1.00 0.00 C ATOM 1029 CG LYS A 66 2.066 19.976 -6.580 1.00 0.00 C ATOM 1030 CD LYS A 66 0.867 20.477 -7.389 1.00 0.00 C ATOM 1031 CE LYS A 66 1.265 20.629 -8.858 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.128 21.100 -9.674 1.00 0.00 N ATOM 0 H LYS A 66 2.513 17.504 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 66 3.719 19.958 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.839 19.122 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.335 20.774 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.895 20.678 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.411 19.022 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.036 19.777 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.523 21.433 -6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.093 21.333 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.620 19.673 -9.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.428 21.194 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.652 20.415 -9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.194 22.024 -9.321 1.00 0.00 H new ATOM 1046 N GLU A 67 2.261 18.166 -2.211 1.00 0.00 N ATOM 1047 CA GLU A 67 1.915 18.046 -0.802 1.00 0.00 C ATOM 1048 C GLU A 67 3.117 18.343 0.096 1.00 0.00 C ATOM 1049 O GLU A 67 2.970 18.422 1.314 1.00 0.00 O ATOM 1050 CB GLU A 67 1.389 16.633 -0.524 1.00 0.00 C ATOM 1051 CG GLU A 67 0.170 16.284 -1.386 1.00 0.00 C ATOM 1052 CD GLU A 67 -1.048 17.163 -1.096 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -1.029 17.893 -0.080 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -2.003 17.097 -1.903 1.00 0.00 O ATOM 0 H GLU A 67 2.282 17.274 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 67 1.141 18.779 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.182 15.909 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.122 16.548 0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.438 16.382 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.096 15.240 -1.221 1.00 0.00 H new ATOM 1061 N GLN A 68 4.306 18.508 -0.499 1.00 0.00 N ATOM 1062 CA GLN A 68 5.523 18.841 0.228 1.00 0.00 C ATOM 1063 C GLN A 68 6.251 20.014 -0.423 1.00 0.00 C ATOM 1064 O GLN A 68 7.042 20.684 0.235 1.00 0.00 O ATOM 1065 CB GLN A 68 6.435 17.609 0.278 1.00 0.00 C ATOM 1066 CG GLN A 68 5.780 16.438 1.018 1.00 0.00 C ATOM 1067 CD GLN A 68 6.536 15.131 0.806 1.00 0.00 C ATOM 1068 OE1 GLN A 68 5.926 14.082 0.618 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.865 15.171 0.833 1.00 0.00 N ATOM 0 H GLN A 68 4.444 18.412 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 68 5.255 19.140 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.685 17.302 -0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.371 17.871 0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.736 16.662 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.752 16.322 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.345 16.057 0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.404 14.316 0.695 1.00 0.00 H new ATOM 1078 N CYS A 69 5.995 20.278 -1.712 1.00 0.00 N ATOM 1079 CA CYS A 69 6.638 21.384 -2.404 1.00 0.00 C ATOM 1080 C CYS A 69 6.021 22.701 -1.933 1.00 0.00 C ATOM 1081 O CYS A 69 6.728 23.691 -1.764 1.00 0.00 O ATOM 1082 CB CYS A 69 6.420 21.201 -3.908 1.00 0.00 C ATOM 1083 SG CYS A 69 7.544 22.288 -4.816 1.00 0.00 S ATOM 0 H CYS A 69 5.348 19.738 -2.287 1.00 0.00 H new ATOM 0 HA CYS A 69 7.706 21.404 -2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.596 20.162 -4.188 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.386 21.430 -4.167 1.00 0.00 H new ATOM 0 HG CYS A 69 7.361 22.132 -6.094 1.00 0.00 H new ATOM 1089 N GLN A 70 4.701 22.718 -1.719 1.00 0.00 N ATOM 1090 CA GLN A 70 4.008 23.907 -1.238 1.00 0.00 C ATOM 1091 C GLN A 70 4.350 24.186 0.221 1.00 0.00 C ATOM 1092 O GLN A 70 4.363 25.341 0.643 1.00 0.00 O ATOM 1093 CB GLN A 70 2.496 23.708 -1.348 1.00 0.00 C ATOM 1094 CG GLN A 70 2.019 23.577 -2.798 1.00 0.00 C ATOM 1095 CD GLN A 70 2.094 24.889 -3.576 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.412 25.942 -3.026 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.799 24.834 -4.871 1.00 0.00 N ATOM 0 H GLN A 70 4.093 21.914 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 70 4.327 24.750 -1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.210 22.814 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.988 24.550 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.623 22.826 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.990 23.216 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.539 23.945 -5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.833 25.681 -5.438 1.00 0.00 H new ATOM 1106 N GLU A 71 4.629 23.137 0.995 1.00 0.00 N ATOM 1107 CA GLU A 71 4.938 23.308 2.404 1.00 0.00 C ATOM 1108 C GLU A 71 6.332 23.912 2.552 1.00 0.00 C ATOM 1109 O GLU A 71 6.588 24.651 3.499 1.00 0.00 O ATOM 1110 CB GLU A 71 4.856 21.955 3.116 1.00 0.00 C ATOM 1111 CG GLU A 71 3.491 21.282 2.934 1.00 0.00 C ATOM 1112 CD GLU A 71 2.334 22.095 3.518 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.173 21.752 3.196 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.600 23.047 4.284 1.00 0.00 O ATOM 0 H GLU A 71 4.646 22.171 0.669 1.00 0.00 H new ATOM 0 HA GLU A 71 4.215 23.985 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.636 21.298 2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.051 22.094 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.312 21.120 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.512 20.300 3.407 1.00 0.00 H new ATOM 1121 N ALA A 72 7.234 23.601 1.615 1.00 0.00 N ATOM 1122 CA ALA A 72 8.579 24.152 1.615 1.00 0.00 C ATOM 1123 C ALA A 72 8.584 25.585 1.082 1.00 0.00 C ATOM 1124 O ALA A 72 9.500 26.347 1.378 1.00 0.00 O ATOM 1125 CB ALA A 72 9.473 23.245 0.773 1.00 0.00 C ATOM 0 H ALA A 72 7.046 22.963 0.842 1.00 0.00 H new ATOM 0 HA ALA A 72 8.960 24.193 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.488 23.643 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.481 22.243 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.089 23.200 -0.246 1.00 0.00 H new ATOM 1131 N ARG A 73 7.567 25.961 0.295 1.00 0.00 N ATOM 1132 CA ARG A 73 7.412 27.333 -0.172 1.00 0.00 C ATOM 1133 C ARG A 73 6.963 28.206 0.989 1.00 0.00 C ATOM 1134 O ARG A 73 7.605 29.207 1.316 1.00 0.00 O ATOM 1135 CB ARG A 73 6.366 27.389 -1.289 1.00 0.00 C ATOM 1136 CG ARG A 73 6.076 28.840 -1.693 1.00 0.00 C ATOM 1137 CD ARG A 73 4.725 28.908 -2.402 1.00 0.00 C ATOM 1138 NE ARG A 73 4.412 30.280 -2.816 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.805 30.806 -3.977 1.00 0.00 C ATOM 1140 NH1 ARG A 73 5.531 30.079 -4.821 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.469 32.054 -4.294 1.00 0.00 N ATOM 0 H ARG A 73 6.839 25.325 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 73 8.365 27.694 -0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.722 26.830 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.446 26.909 -0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.069 29.480 -0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.863 29.211 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.736 28.255 -3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.944 28.538 -1.738 1.00 0.00 H new ATOM 0 HE ARG A 73 3.865 30.863 -2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.786 29.121 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.833 30.479 -5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.909 32.611 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.771 32.453 -5.183 1.00 0.00 H new ATOM 1155 N ASN A 74 5.854 27.815 1.617 1.00 0.00 N ATOM 1156 CA ASN A 74 5.268 28.556 2.717 1.00 0.00 C ATOM 1157 C ASN A 74 6.189 28.563 3.939 1.00 0.00 C ATOM 1158 O ASN A 74 6.016 29.380 4.843 1.00 0.00 O ATOM 1159 CB ASN A 74 3.892 27.968 3.029 1.00 0.00 C ATOM 1160 CG ASN A 74 2.874 28.364 1.971 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.412 29.502 1.950 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.522 27.438 1.087 1.00 0.00 N ATOM 0 H ASN A 74 5.340 26.970 1.370 1.00 0.00 H new ATOM 0 HA ASN A 74 5.144 29.600 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.961 26.882 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.558 28.315 4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.845 27.661 0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.928 26.504 1.138 1.00 0.00 H new ATOM 1169 N ALA A 75 7.172 27.658 3.972 1.00 0.00 N ATOM 1170 CA ALA A 75 8.180 27.626 5.016 1.00 0.00 C ATOM 1171 C ALA A 75 9.264 28.681 4.790 1.00 0.00 C ATOM 1172 O ALA A 75 10.169 28.811 5.614 1.00 0.00 O ATOM 1173 CB ALA A 75 8.794 26.233 5.076 1.00 0.00 C ATOM 0 H ALA A 75 7.284 26.928 3.269 1.00 0.00 H new ATOM 0 HA ALA A 75 7.701 27.859 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.552 26.203 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.016 25.502 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.254 25.996 4.116 1.00 0.00 H new ATOM 1179 N VAL A 76 9.189 29.436 3.685 1.00 0.00 N ATOM 1180 CA VAL A 76 10.173 30.456 3.352 1.00 0.00 C ATOM 1181 C VAL A 76 9.507 31.792 3.026 1.00 0.00 C ATOM 1182 O VAL A 76 10.163 32.831 3.081 1.00 0.00 O ATOM 1183 CB VAL A 76 11.043 29.967 2.183 1.00 0.00 C ATOM 1184 CG1 VAL A 76 12.126 30.983 1.820 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.739 28.654 2.534 1.00 0.00 C ATOM 0 H VAL A 76 8.439 29.350 3.000 1.00 0.00 H new ATOM 0 HA VAL A 76 10.809 30.624 4.221 1.00 0.00 H new ATOM 0 HB VAL A 76 10.370 29.829 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.720 30.601 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.659 31.924 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.772 31.149 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.349 28.329 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.376 28.802 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.990 27.893 2.755 1.00 0.00 H new ATOM 1195 N MET A 77 8.214 31.788 2.692 1.00 0.00 N ATOM 1196 CA MET A 77 7.506 33.016 2.363 1.00 0.00 C ATOM 1197 C MET A 77 6.965 33.733 3.595 1.00 0.00 C ATOM 1198 O MET A 77 6.440 34.840 3.473 1.00 0.00 O ATOM 1199 CB MET A 77 6.377 32.713 1.373 1.00 0.00 C ATOM 1200 CG MET A 77 6.966 32.208 0.057 1.00 0.00 C ATOM 1201 SD MET A 77 8.027 33.418 -0.773 1.00 0.00 S ATOM 1202 CE MET A 77 9.138 32.275 -1.631 1.00 0.00 C ATOM 0 H MET A 77 7.641 30.946 2.644 1.00 0.00 H new ATOM 0 HA MET A 77 8.224 33.694 1.903 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.704 31.965 1.792 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.785 33.611 1.196 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.543 31.303 0.250 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.152 31.930 -0.613 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.815 32.839 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.717 31.712 -0.899 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.552 31.585 -2.238 1.00 0.00 H new ATOM 1212 N SER A 78 7.085 33.131 4.784 1.00 0.00 N ATOM 1213 CA SER A 78 6.624 33.768 6.011 1.00 0.00 C ATOM 1214 C SER A 78 7.304 33.194 7.251 1.00 0.00 C ATOM 1215 O SER A 78 7.639 33.943 8.166 1.00 0.00 O ATOM 1216 CB SER A 78 5.111 33.602 6.118 1.00 0.00 C ATOM 1217 OG SER A 78 4.644 34.137 7.339 1.00 0.00 O ATOM 0 H SER A 78 7.497 32.207 4.917 1.00 0.00 H new ATOM 0 HA SER A 78 6.887 34.825 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.623 34.105 5.283 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.849 32.546 6.052 1.00 0.00 H new ATOM 0 HG SER A 78 3.672 34.026 7.394 1.00 0.00 H new ATOM 1223 N LEU A 79 7.516 31.874 7.296 1.00 0.00 N ATOM 1224 CA LEU A 79 8.122 31.242 8.461 1.00 0.00 C ATOM 1225 C LEU A 79 9.643 31.370 8.434 1.00 0.00 C ATOM 1226 O LEU A 79 10.261 31.601 9.471 1.00 0.00 O ATOM 1227 CB LEU A 79 7.716 29.766 8.513 1.00 0.00 C ATOM 1228 CG LEU A 79 6.196 29.581 8.470 1.00 0.00 C ATOM 1229 CD1 LEU A 79 5.869 28.091 8.532 1.00 0.00 C ATOM 1230 CD2 LEU A 79 5.518 30.273 9.653 1.00 0.00 C ATOM 0 H LEU A 79 7.277 31.231 6.542 1.00 0.00 H new ATOM 0 HA LEU A 79 7.762 31.751 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.168 29.237 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.109 29.315 9.424 1.00 0.00 H new ATOM 0 HG LEU A 79 5.828 30.023 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.788 27.954 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.323 27.583 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.262 27.670 9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.440 30.123 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.892 29.850 10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.738 31.340 9.625 1.00 0.00 H new ATOM 1242 N MET A 80 10.239 31.225 7.244 1.00 0.00 N ATOM 1243 CA MET A 80 11.680 31.299 7.023 1.00 0.00 C ATOM 1244 C MET A 80 12.463 30.401 7.987 1.00 0.00 C ATOM 1245 O MET A 80 13.648 30.630 8.218 1.00 0.00 O ATOM 1246 CB MET A 80 12.145 32.756 7.071 1.00 0.00 C ATOM 1247 CG MET A 80 11.269 33.620 6.162 1.00 0.00 C ATOM 1248 SD MET A 80 11.852 35.322 5.949 1.00 0.00 S ATOM 1249 CE MET A 80 13.164 35.025 4.736 1.00 0.00 C ATOM 0 H MET A 80 9.714 31.048 6.388 1.00 0.00 H new ATOM 0 HA MET A 80 11.892 30.912 6.026 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.097 33.127 8.095 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.186 32.824 6.756 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.206 33.146 5.182 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.258 33.644 6.570 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.027 35.648 4.973 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.455 33.975 4.765 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.801 35.273 3.739 1.00 0.00 H new ATOM 1259 N GLN A 81 11.792 29.386 8.547 1.00 0.00 N ATOM 1260 CA GLN A 81 12.325 28.495 9.569 1.00 0.00 C ATOM 1261 C GLN A 81 12.948 29.280 10.730 1.00 0.00 C ATOM 1262 O GLN A 81 13.881 28.813 11.381 1.00 0.00 O ATOM 1263 CB GLN A 81 13.262 27.452 8.943 1.00 0.00 C ATOM 1264 CG GLN A 81 13.513 26.302 9.922 1.00 0.00 C ATOM 1265 CD GLN A 81 14.910 26.302 10.536 1.00 0.00 C ATOM 1266 OE1 GLN A 81 15.870 26.797 9.946 1.00 0.00 O ATOM 1267 NE2 GLN A 81 15.034 25.744 11.737 1.00 0.00 N ATOM 0 H GLN A 81 10.832 29.161 8.288 1.00 0.00 H new ATOM 0 HA GLN A 81 11.503 27.934 10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.823 27.065 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.208 27.920 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.775 26.353 10.723 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.355 25.356 9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.218 25.342 12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 81 15.945 25.718 12.196 1.00 0.00 H new ATOM 1276 N SER A 82 12.430 30.485 10.987 1.00 0.00 N ATOM 1277 CA SER A 82 12.931 31.348 12.048 1.00 0.00 C ATOM 1278 C SER A 82 12.688 30.745 13.432 1.00 0.00 C ATOM 1279 O SER A 82 13.340 31.130 14.403 1.00 0.00 O ATOM 1280 CB SER A 82 12.251 32.713 11.926 1.00 0.00 C ATOM 1281 OG SER A 82 12.690 33.583 12.949 1.00 0.00 O ATOM 0 H SER A 82 11.652 30.885 10.462 1.00 0.00 H new ATOM 0 HA SER A 82 14.010 31.456 11.938 1.00 0.00 H new ATOM 0 HB2 SER A 82 12.472 33.149 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.169 32.592 11.984 1.00 0.00 H new ATOM 0 HG SER A 82 12.245 34.451 12.853 1.00 0.00 H new ATOM 1287 N HIS A 83 11.753 29.794 13.536 1.00 0.00 N ATOM 1288 CA HIS A 83 11.471 29.111 14.790 1.00 0.00 C ATOM 1289 C HIS A 83 12.632 28.193 15.174 1.00 0.00 C ATOM 1290 O HIS A 83 13.119 27.427 14.342 1.00 0.00 O ATOM 1291 CB HIS A 83 10.150 28.347 14.680 1.00 0.00 C ATOM 1292 CG HIS A 83 9.980 27.579 13.396 1.00 0.00 C ATOM 1293 ND1 HIS A 83 10.806 26.580 12.904 1.00 0.00 N ATOM 1294 CD2 HIS A 83 8.936 27.722 12.526 1.00 0.00 C ATOM 1295 CE1 HIS A 83 10.269 26.126 11.759 1.00 0.00 C ATOM 1296 NE2 HIS A 83 9.133 26.808 11.507 1.00 0.00 N ATOM 0 H HIS A 83 11.177 29.482 12.754 1.00 0.00 H new ATOM 0 HA HIS A 83 11.366 29.847 15.587 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.075 27.653 15.517 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.326 29.054 14.778 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.669 26.248 13.335 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.114 28.416 12.617 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.680 25.342 11.141 1.00 0.00 H new ATOM 1305 N GLN A 84 13.076 28.273 16.428 1.00 0.00 N ATOM 1306 CA GLN A 84 14.219 27.500 16.899 1.00 0.00 C ATOM 1307 C GLN A 84 13.803 26.111 17.393 1.00 0.00 C ATOM 1308 O GLN A 84 14.662 25.255 17.600 1.00 0.00 O ATOM 1309 CB GLN A 84 14.926 28.282 18.012 1.00 0.00 C ATOM 1310 CG GLN A 84 14.034 28.470 19.247 1.00 0.00 C ATOM 1311 CD GLN A 84 14.761 29.216 20.362 1.00 0.00 C ATOM 1312 OE1 GLN A 84 15.914 29.621 20.215 1.00 0.00 O ATOM 1313 NE2 GLN A 84 14.091 29.400 21.496 1.00 0.00 N ATOM 0 H GLN A 84 12.656 28.871 17.139 1.00 0.00 H new ATOM 0 HA GLN A 84 14.903 27.346 16.064 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.836 27.757 18.300 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.228 29.258 17.632 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.136 29.021 18.967 1.00 0.00 H new ATOM 0 HG3 GLN A 84 13.709 27.496 19.613 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.136 29.052 21.587 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.532 29.889 22.275 1.00 0.00 H new ATOM 1322 N ASP A 85 12.503 25.877 17.580 1.00 0.00 N ATOM 1323 CA ASP A 85 11.993 24.606 18.070 1.00 0.00 C ATOM 1324 C ASP A 85 11.643 23.579 16.993 1.00 0.00 C ATOM 1325 O ASP A 85 11.126 22.507 17.302 1.00 0.00 O ATOM 1326 CB ASP A 85 10.882 24.789 19.113 1.00 0.00 C ATOM 1327 CG ASP A 85 9.824 25.821 18.722 1.00 0.00 C ATOM 1328 OD1 ASP A 85 9.838 26.281 17.559 1.00 0.00 O ATOM 1329 OD2 ASP A 85 8.993 26.145 19.604 1.00 0.00 O ATOM 0 H ASP A 85 11.777 26.569 17.394 1.00 0.00 H new ATOM 0 HA ASP A 85 12.843 24.153 18.581 1.00 0.00 H new ATOM 0 HB2 ASP A 85 10.394 23.829 19.280 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.332 25.087 20.060 1.00 0.00 H new ATOM 1334 N LYS A 86 11.923 23.907 15.726 1.00 0.00 N ATOM 1335 CA LYS A 86 11.634 23.034 14.595 1.00 0.00 C ATOM 1336 C LYS A 86 12.568 23.347 13.430 1.00 0.00 C ATOM 1337 O LYS A 86 12.725 24.548 13.116 1.00 0.00 O ATOM 1338 CB LYS A 86 10.164 23.199 14.199 1.00 0.00 C ATOM 1339 CG LYS A 86 9.816 22.302 13.010 1.00 0.00 C ATOM 1340 CD LYS A 86 8.328 22.440 12.687 1.00 0.00 C ATOM 1341 CE LYS A 86 7.941 21.553 11.505 1.00 0.00 C ATOM 1342 NZ LYS A 86 8.153 20.123 11.802 1.00 0.00 N ATOM 0 H LYS A 86 12.358 24.791 15.461 1.00 0.00 H new ATOM 0 HA LYS A 86 11.804 21.995 14.876 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.525 22.951 15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.966 24.240 13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.415 22.581 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.054 21.264 13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.736 22.167 13.560 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.097 23.480 12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.894 21.721 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.529 21.834 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.682 19.544 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.172 19.916 11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.755 19.900 12.736 1.00 0.00 H new TER 1356 LYS A 86