USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 666 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 35 CYS SG : rot -96:sc= -0.59 USER MOD Set 1.2: A 71 THR OG1 : rot 142:sc= 0.373 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.0109 USER MOD Set 2.2: A 16 GLN : amide:sc= -2.76! C(o=-2.8!,f=-1.3!) USER MOD Single : A 1 MET CE :methyl 149:sc= 0 (180deg=-0.0133) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.51 K(o=-0.51,f=-3.2!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.609 K(o=0.61,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 37 SER OG : rot 140:sc= -0.118 USER MOD Single : A 38 THR OG1 : rot -87:sc= 1 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -135:sc= -3.3! (180deg=-6.38!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.821 USER MOD Single : A 58 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.51) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -85:sc= 0.585 USER MOD Single : A 80 MET CE :methyl -173:sc= -0.851 (180deg=-1.17) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 78:sc= 0.081 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.778 3.383 -12.879 1.00 0.00 N ATOM 2 CA MET A 1 14.584 3.463 -13.773 1.00 0.00 C ATOM 3 C MET A 1 14.107 2.053 -14.119 1.00 0.00 C ATOM 4 O MET A 1 14.888 1.210 -14.570 1.00 0.00 O ATOM 5 CB MET A 1 14.953 4.209 -15.061 1.00 0.00 C ATOM 6 CG MET A 1 13.739 4.995 -15.567 1.00 0.00 C ATOM 7 SD MET A 1 14.280 6.235 -16.769 1.00 0.00 S ATOM 8 CE MET A 1 14.711 7.532 -15.582 1.00 0.00 C ATOM 0 H1 MET A 1 16.101 4.343 -12.645 1.00 0.00 H new ATOM 0 H2 MET A 1 15.524 2.880 -12.005 1.00 0.00 H new ATOM 0 H3 MET A 1 16.541 2.870 -13.364 1.00 0.00 H new ATOM 0 HA MET A 1 13.786 4.000 -13.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.786 4.887 -14.874 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.283 3.501 -15.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.020 4.317 -16.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.232 5.479 -14.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.530 8.132 -15.980 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.844 8.170 -15.410 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.019 7.076 -14.641 1.00 0.00 H new ATOM 20 N ASN A 2 12.813 1.809 -13.905 1.00 0.00 N ATOM 21 CA ASN A 2 12.227 0.499 -14.196 1.00 0.00 C ATOM 22 C ASN A 2 11.477 0.533 -15.527 1.00 0.00 C ATOM 23 O ASN A 2 10.928 1.565 -15.922 1.00 0.00 O ATOM 24 CB ASN A 2 11.259 0.085 -13.086 1.00 0.00 C ATOM 25 CG ASN A 2 11.511 -1.369 -12.702 1.00 0.00 C ATOM 26 OD1 ASN A 2 10.686 -2.239 -12.974 1.00 0.00 O ATOM 27 ND2 ASN A 2 12.615 -1.690 -12.081 1.00 0.00 N ATOM 0 H ASN A 2 12.155 2.495 -13.534 1.00 0.00 H new ATOM 0 HA ASN A 2 13.039 -0.226 -14.256 1.00 0.00 H new ATOM 0 HB2 ASN A 2 11.390 0.729 -12.217 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.230 0.209 -13.422 1.00 0.00 H new ATOM 0 HD21 ASN A 2 12.791 -2.661 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 2 13.301 -0.970 -11.854 1.00 0.00 H new ATOM 34 N ASP A 3 11.464 -0.611 -16.215 1.00 0.00 N ATOM 35 CA ASP A 3 10.783 -0.713 -17.511 1.00 0.00 C ATOM 36 C ASP A 3 9.820 -1.907 -17.560 1.00 0.00 C ATOM 37 O ASP A 3 9.321 -2.262 -18.632 1.00 0.00 O ATOM 38 CB ASP A 3 11.812 -0.853 -18.638 1.00 0.00 C ATOM 39 CG ASP A 3 12.687 -2.086 -18.405 1.00 0.00 C ATOM 40 OD1 ASP A 3 12.305 -3.155 -18.853 1.00 0.00 O ATOM 41 OD2 ASP A 3 13.727 -1.941 -17.784 1.00 0.00 O ATOM 0 H ASP A 3 11.912 -1.472 -15.902 1.00 0.00 H new ATOM 0 HA ASP A 3 10.203 0.200 -17.643 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.302 -0.936 -19.598 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.435 0.040 -18.685 1.00 0.00 H new ATOM 46 N ILE A 4 9.550 -2.518 -16.402 1.00 0.00 N ATOM 47 CA ILE A 4 8.633 -3.663 -16.355 1.00 0.00 C ATOM 48 C ILE A 4 7.182 -3.185 -16.251 1.00 0.00 C ATOM 49 O ILE A 4 6.259 -3.885 -16.666 1.00 0.00 O ATOM 50 CB ILE A 4 8.959 -4.600 -15.173 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.469 -3.991 -13.849 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.473 -4.822 -15.096 1.00 0.00 C ATOM 53 CD1 ILE A 4 7.001 -4.355 -13.624 1.00 0.00 C ATOM 0 H ILE A 4 9.944 -2.247 -15.501 1.00 0.00 H new ATOM 0 HA ILE A 4 8.762 -4.223 -17.281 1.00 0.00 H new ATOM 0 HB ILE A 4 8.451 -5.551 -15.334 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.076 -4.360 -13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.585 -2.907 -13.871 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.702 -5.484 -14.261 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.822 -5.275 -16.024 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.974 -3.865 -14.948 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.658 -3.921 -12.685 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.399 -3.964 -14.445 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.897 -5.439 -13.582 1.00 0.00 H new ATOM 65 N TYR A 5 6.996 -1.983 -15.690 1.00 0.00 N ATOM 66 CA TYR A 5 5.656 -1.409 -15.532 1.00 0.00 C ATOM 67 C TYR A 5 5.054 -1.075 -16.894 1.00 0.00 C ATOM 68 O TYR A 5 3.839 -1.153 -17.083 1.00 0.00 O ATOM 69 CB TYR A 5 5.710 -0.125 -14.692 1.00 0.00 C ATOM 70 CG TYR A 5 6.522 -0.353 -13.436 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.239 -1.443 -12.606 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.552 0.532 -13.102 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.988 -1.649 -11.444 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.302 0.325 -11.939 1.00 0.00 C ATOM 75 CZ TYR A 5 8.020 -0.766 -11.109 1.00 0.00 C ATOM 76 OH TYR A 5 8.760 -0.970 -9.962 1.00 0.00 O ATOM 0 H TYR A 5 7.752 -1.394 -15.341 1.00 0.00 H new ATOM 0 HA TYR A 5 5.037 -2.150 -15.026 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.151 0.682 -15.277 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.700 0.188 -14.428 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.442 -2.125 -12.863 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.768 1.375 -13.741 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.770 -2.491 -10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.099 1.007 -11.682 1.00 0.00 H new ATOM 0 HH TYR A 5 9.437 -0.266 -9.880 1.00 0.00 H new ATOM 86 N LYS A 6 5.923 -0.705 -17.837 1.00 0.00 N ATOM 87 CA LYS A 6 5.481 -0.360 -19.192 1.00 0.00 C ATOM 88 C LYS A 6 5.209 -1.628 -19.991 1.00 0.00 C ATOM 89 O LYS A 6 4.250 -1.701 -20.759 1.00 0.00 O ATOM 90 CB LYS A 6 6.545 0.475 -19.922 1.00 0.00 C ATOM 91 CG LYS A 6 7.108 1.557 -18.990 1.00 0.00 C ATOM 92 CD LYS A 6 5.960 2.271 -18.270 1.00 0.00 C ATOM 93 CE LYS A 6 6.527 3.180 -17.178 1.00 0.00 C ATOM 94 NZ LYS A 6 5.564 4.284 -16.893 1.00 0.00 N ATOM 0 H LYS A 6 6.930 -0.636 -17.690 1.00 0.00 H new ATOM 0 HA LYS A 6 4.567 0.228 -19.107 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.351 -0.173 -20.267 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.109 0.939 -20.807 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.782 1.107 -18.261 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.692 2.276 -19.564 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.380 2.859 -18.982 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.281 1.540 -17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.713 2.604 -16.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.485 3.593 -17.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.952 4.900 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.408 4.840 -17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.660 3.882 -16.572 1.00 0.00 H new ATOM 108 N ALA A 7 6.063 -2.629 -19.787 1.00 0.00 N ATOM 109 CA ALA A 7 5.908 -3.910 -20.481 1.00 0.00 C ATOM 110 C ALA A 7 4.695 -4.672 -19.937 1.00 0.00 C ATOM 111 O ALA A 7 4.035 -5.413 -20.667 1.00 0.00 O ATOM 112 CB ALA A 7 7.163 -4.769 -20.304 1.00 0.00 C ATOM 0 H ALA A 7 6.862 -2.582 -19.154 1.00 0.00 H new ATOM 0 HA ALA A 7 5.758 -3.704 -21.541 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.032 -5.717 -20.826 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.024 -4.244 -20.717 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.328 -4.958 -19.243 1.00 0.00 H new ATOM 118 N ALA A 8 4.413 -4.479 -18.643 1.00 0.00 N ATOM 119 CA ALA A 8 3.281 -5.147 -17.996 1.00 0.00 C ATOM 120 C ALA A 8 1.981 -4.344 -18.153 1.00 0.00 C ATOM 121 O ALA A 8 0.891 -4.898 -18.003 1.00 0.00 O ATOM 122 CB ALA A 8 3.564 -5.337 -16.506 1.00 0.00 C ATOM 0 H ALA A 8 4.951 -3.869 -18.027 1.00 0.00 H new ATOM 0 HA ALA A 8 3.155 -6.114 -18.484 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.716 -5.834 -16.035 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.458 -5.947 -16.380 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.720 -4.365 -16.038 1.00 0.00 H new ATOM 128 N VAL A 9 2.099 -3.039 -18.446 1.00 0.00 N ATOM 129 CA VAL A 9 0.911 -2.183 -18.607 1.00 0.00 C ATOM 130 C VAL A 9 -0.047 -2.750 -19.666 1.00 0.00 C ATOM 131 O VAL A 9 -1.267 -2.644 -19.531 1.00 0.00 O ATOM 132 CB VAL A 9 1.313 -0.741 -18.980 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.432 -0.582 -20.503 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.251 0.231 -18.453 1.00 0.00 C ATOM 0 H VAL A 9 2.990 -2.559 -18.575 1.00 0.00 H new ATOM 0 HA VAL A 9 0.393 -2.165 -17.648 1.00 0.00 H new ATOM 0 HB VAL A 9 2.282 -0.523 -18.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.716 0.443 -20.741 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.191 -1.266 -20.882 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.473 -0.810 -20.969 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.530 1.252 -18.714 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.714 -0.007 -18.901 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.180 0.140 -17.369 1.00 0.00 H new ATOM 144 N GLU A 10 0.521 -3.352 -20.717 1.00 0.00 N ATOM 145 CA GLU A 10 -0.289 -3.932 -21.792 1.00 0.00 C ATOM 146 C GLU A 10 -0.997 -5.213 -21.331 1.00 0.00 C ATOM 147 O GLU A 10 -1.992 -5.628 -21.928 1.00 0.00 O ATOM 148 CB GLU A 10 0.588 -4.260 -23.005 1.00 0.00 C ATOM 149 CG GLU A 10 0.995 -2.961 -23.708 1.00 0.00 C ATOM 150 CD GLU A 10 1.460 -3.271 -25.128 1.00 0.00 C ATOM 151 OE1 GLU A 10 0.611 -3.497 -25.975 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.660 -3.271 -25.351 1.00 0.00 O ATOM 0 H GLU A 10 1.528 -3.449 -20.845 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.041 -3.192 -22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.475 -4.808 -22.688 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.045 -4.905 -23.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.152 -2.270 -23.733 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.794 -2.470 -23.152 1.00 0.00 H new ATOM 159 N GLN A 11 -0.476 -5.835 -20.266 1.00 0.00 N ATOM 160 CA GLN A 11 -1.064 -7.069 -19.739 1.00 0.00 C ATOM 161 C GLN A 11 -2.299 -6.773 -18.885 1.00 0.00 C ATOM 162 O GLN A 11 -3.283 -7.514 -18.931 1.00 0.00 O ATOM 163 CB GLN A 11 -0.041 -7.832 -18.887 1.00 0.00 C ATOM 164 CG GLN A 11 1.217 -8.120 -19.715 1.00 0.00 C ATOM 165 CD GLN A 11 0.944 -9.270 -20.682 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.943 -10.435 -20.285 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.711 -9.010 -21.941 1.00 0.00 N ATOM 0 H GLN A 11 0.345 -5.506 -19.757 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.360 -7.679 -20.593 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.220 -7.247 -18.005 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.475 -8.767 -18.532 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.512 -7.229 -20.269 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.047 -8.375 -19.056 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.712 -8.045 -22.271 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.528 -9.772 -22.594 1.00 0.00 H new ATOM 176 N LEU A 12 -2.239 -5.687 -18.107 1.00 0.00 N ATOM 177 CA LEU A 12 -3.361 -5.306 -17.245 1.00 0.00 C ATOM 178 C LEU A 12 -4.577 -4.902 -18.078 1.00 0.00 C ATOM 179 O LEU A 12 -4.452 -4.503 -19.239 1.00 0.00 O ATOM 180 CB LEU A 12 -2.979 -4.135 -16.338 1.00 0.00 C ATOM 181 CG LEU A 12 -1.701 -4.332 -15.516 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.699 -3.233 -15.865 1.00 0.00 C ATOM 183 CD2 LEU A 12 -2.035 -4.266 -14.022 1.00 0.00 C ATOM 0 H LEU A 12 -1.434 -5.063 -18.057 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.609 -6.175 -16.635 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.861 -3.243 -16.954 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.805 -3.943 -15.654 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.268 -5.306 -15.746 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.211 -3.371 -15.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.460 -3.283 -16.927 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.132 -2.259 -15.636 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.125 -4.406 -13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.469 -3.294 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.749 -5.051 -13.774 1.00 0.00 H new ATOM 195 N THR A 13 -5.757 -5.012 -17.464 1.00 0.00 N ATOM 196 CA THR A 13 -7.008 -4.660 -18.141 1.00 0.00 C ATOM 197 C THR A 13 -7.669 -3.457 -17.471 1.00 0.00 C ATOM 198 O THR A 13 -7.317 -3.076 -16.353 1.00 0.00 O ATOM 199 CB THR A 13 -7.998 -5.837 -18.116 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.735 -6.668 -16.993 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.860 -6.652 -19.402 1.00 0.00 C ATOM 0 H THR A 13 -5.873 -5.340 -16.505 1.00 0.00 H new ATOM 0 HA THR A 13 -6.757 -4.415 -19.173 1.00 0.00 H new ATOM 0 HB THR A 13 -9.013 -5.448 -18.041 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.370 -7.414 -16.983 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.562 -7.485 -19.382 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.076 -6.016 -20.261 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.843 -7.036 -19.482 1.00 0.00 H new ATOM 209 N ASP A 14 -8.648 -2.877 -18.172 1.00 0.00 N ATOM 210 CA ASP A 14 -9.382 -1.724 -17.647 1.00 0.00 C ATOM 211 C ASP A 14 -10.115 -2.098 -16.358 1.00 0.00 C ATOM 212 O ASP A 14 -10.278 -1.267 -15.466 1.00 0.00 O ATOM 213 CB ASP A 14 -10.407 -1.228 -18.671 1.00 0.00 C ATOM 214 CG ASP A 14 -9.690 -0.474 -19.789 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.391 0.693 -19.593 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.451 -1.074 -20.824 1.00 0.00 O ATOM 0 H ASP A 14 -8.948 -3.185 -19.097 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.660 -0.934 -17.441 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.961 -2.071 -19.084 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.134 -0.576 -18.187 1.00 0.00 H new ATOM 221 N GLU A 15 -10.550 -3.362 -16.273 1.00 0.00 N ATOM 222 CA GLU A 15 -11.263 -3.848 -15.087 1.00 0.00 C ATOM 223 C GLU A 15 -10.400 -3.689 -13.833 1.00 0.00 C ATOM 224 O GLU A 15 -10.885 -3.253 -12.788 1.00 0.00 O ATOM 225 CB GLU A 15 -11.636 -5.325 -15.250 1.00 0.00 C ATOM 226 CG GLU A 15 -12.893 -5.447 -16.118 1.00 0.00 C ATOM 227 CD GLU A 15 -14.121 -5.036 -15.308 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.617 -5.861 -14.557 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.547 -3.900 -15.449 1.00 0.00 O ATOM 0 H GLU A 15 -10.422 -4.060 -17.005 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.170 -3.253 -14.979 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.811 -5.870 -15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.812 -5.776 -14.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.800 -4.815 -17.001 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.005 -6.472 -16.471 1.00 0.00 H new ATOM 236 N GLN A 16 -9.113 -4.039 -13.953 1.00 0.00 N ATOM 237 CA GLN A 16 -8.182 -3.922 -12.825 1.00 0.00 C ATOM 238 C GLN A 16 -8.051 -2.464 -12.391 1.00 0.00 C ATOM 239 O GLN A 16 -8.107 -2.153 -11.200 1.00 0.00 O ATOM 240 CB GLN A 16 -6.796 -4.451 -13.211 1.00 0.00 C ATOM 241 CG GLN A 16 -6.756 -5.970 -13.037 1.00 0.00 C ATOM 242 CD GLN A 16 -5.656 -6.555 -13.920 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.938 -7.165 -14.951 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.406 -6.406 -13.576 1.00 0.00 N ATOM 0 H GLN A 16 -8.696 -4.402 -14.811 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.580 -4.515 -12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.571 -4.188 -14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.032 -3.984 -12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.572 -6.222 -11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.720 -6.403 -13.304 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.169 -5.901 -12.722 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.666 -6.795 -14.161 1.00 0.00 H new ATOM 253 N LYS A 17 -7.888 -1.574 -13.375 1.00 0.00 N ATOM 254 CA LYS A 17 -7.761 -0.143 -13.091 1.00 0.00 C ATOM 255 C LYS A 17 -9.086 0.426 -12.569 1.00 0.00 C ATOM 256 O LYS A 17 -9.095 1.390 -11.804 1.00 0.00 O ATOM 257 CB LYS A 17 -7.342 0.623 -14.349 1.00 0.00 C ATOM 258 CG LYS A 17 -5.813 0.624 -14.458 1.00 0.00 C ATOM 259 CD LYS A 17 -5.342 -0.676 -15.115 1.00 0.00 C ATOM 260 CE LYS A 17 -3.915 -0.502 -15.643 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.958 -0.099 -17.078 1.00 0.00 N ATOM 0 H LYS A 17 -7.841 -1.816 -14.365 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.994 -0.023 -12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.780 0.160 -15.233 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.715 1.646 -14.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.481 1.480 -15.045 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.368 0.724 -13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.376 -1.492 -14.393 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.012 -0.945 -15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.390 0.253 -15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.360 -1.433 -15.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.988 0.019 -17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.443 -0.834 -17.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.472 0.800 -17.171 1.00 0.00 H new ATOM 275 N ASN A 18 -10.203 -0.189 -12.985 1.00 0.00 N ATOM 276 CA ASN A 18 -11.528 0.252 -12.544 1.00 0.00 C ATOM 277 C ASN A 18 -11.676 0.040 -11.038 1.00 0.00 C ATOM 278 O ASN A 18 -12.077 0.948 -10.308 1.00 0.00 O ATOM 279 CB ASN A 18 -12.629 -0.530 -13.269 1.00 0.00 C ATOM 280 CG ASN A 18 -13.249 0.347 -14.353 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.345 0.880 -14.174 1.00 0.00 O ATOM 282 ND2 ASN A 18 -12.608 0.532 -15.476 1.00 0.00 N ATOM 0 H ASN A 18 -10.213 -0.986 -13.621 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.628 1.311 -12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.215 -1.435 -13.712 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.394 -0.844 -12.559 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.015 1.118 -16.205 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.700 0.091 -15.624 1.00 0.00 H new ATOM 289 N GLU A 19 -11.326 -1.169 -10.581 1.00 0.00 N ATOM 290 CA GLU A 19 -11.401 -1.495 -9.155 1.00 0.00 C ATOM 291 C GLU A 19 -10.383 -0.662 -8.383 1.00 0.00 C ATOM 292 O GLU A 19 -10.666 -0.160 -7.295 1.00 0.00 O ATOM 293 CB GLU A 19 -11.099 -2.980 -8.910 1.00 0.00 C ATOM 294 CG GLU A 19 -12.066 -3.847 -9.721 1.00 0.00 C ATOM 295 CD GLU A 19 -12.150 -5.237 -9.099 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.273 -6.040 -9.368 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.092 -5.479 -8.362 1.00 0.00 O ATOM 0 H GLU A 19 -10.992 -1.929 -11.173 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.413 -1.275 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.071 -3.203 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.193 -3.209 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.054 -3.386 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.726 -3.920 -10.754 1.00 0.00 H new ATOM 304 N PHE A 20 -9.191 -0.524 -8.973 1.00 0.00 N ATOM 305 CA PHE A 20 -8.110 0.250 -8.359 1.00 0.00 C ATOM 306 C PHE A 20 -8.518 1.712 -8.173 1.00 0.00 C ATOM 307 O PHE A 20 -8.221 2.319 -7.145 1.00 0.00 O ATOM 308 CB PHE A 20 -6.855 0.190 -9.239 1.00 0.00 C ATOM 309 CG PHE A 20 -6.026 -1.026 -8.882 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.622 -2.140 -8.276 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.656 -1.030 -9.156 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.849 -3.253 -7.946 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.880 -2.143 -8.824 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.476 -3.257 -8.218 1.00 0.00 C ATOM 0 H PHE A 20 -8.952 -0.938 -9.874 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.901 -0.186 -7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.140 0.149 -10.290 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.263 1.095 -9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.681 -2.137 -8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.197 -0.172 -9.625 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.310 -4.112 -7.481 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.821 -2.145 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.877 -4.118 -7.961 1.00 0.00 H new ATOM 324 N LYS A 21 -9.199 2.266 -9.181 1.00 0.00 N ATOM 325 CA LYS A 21 -9.644 3.661 -9.124 1.00 0.00 C ATOM 326 C LYS A 21 -10.645 3.861 -7.986 1.00 0.00 C ATOM 327 O LYS A 21 -10.575 4.850 -7.257 1.00 0.00 O ATOM 328 CB LYS A 21 -10.296 4.075 -10.452 1.00 0.00 C ATOM 329 CG LYS A 21 -10.637 5.571 -10.426 1.00 0.00 C ATOM 330 CD LYS A 21 -9.371 6.388 -10.143 1.00 0.00 C ATOM 331 CE LYS A 21 -9.582 7.836 -10.598 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.242 7.961 -12.045 1.00 0.00 N ATOM 0 H LYS A 21 -9.452 1.775 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.768 4.284 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.620 3.862 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.200 3.490 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.069 5.871 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.387 5.769 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.139 6.361 -9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.520 5.952 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.617 8.133 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.958 8.508 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.386 8.944 -12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.248 7.694 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.855 7.332 -12.601 1.00 0.00 H new ATOM 346 N ALA A 22 -11.568 2.909 -7.840 1.00 0.00 N ATOM 347 CA ALA A 22 -12.573 2.988 -6.779 1.00 0.00 C ATOM 348 C ALA A 22 -11.921 2.790 -5.411 1.00 0.00 C ATOM 349 O ALA A 22 -12.212 3.523 -4.465 1.00 0.00 O ATOM 350 CB ALA A 22 -13.652 1.922 -6.977 1.00 0.00 C ATOM 0 H ALA A 22 -11.641 2.084 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.031 3.976 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.389 1.998 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.142 2.075 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.194 0.933 -6.956 1.00 0.00 H new ATOM 356 N ALA A 23 -11.026 1.799 -5.322 1.00 0.00 N ATOM 357 CA ALA A 23 -10.321 1.512 -4.066 1.00 0.00 C ATOM 358 C ALA A 23 -9.405 2.676 -3.669 1.00 0.00 C ATOM 359 O ALA A 23 -9.061 2.835 -2.495 1.00 0.00 O ATOM 360 CB ALA A 23 -9.479 0.241 -4.202 1.00 0.00 C ATOM 0 H ALA A 23 -10.774 1.186 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.075 1.372 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.964 0.044 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.128 -0.601 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.745 0.374 -4.997 1.00 0.00 H new ATOM 366 N PHE A 24 -9.020 3.488 -4.657 1.00 0.00 N ATOM 367 CA PHE A 24 -8.155 4.636 -4.407 1.00 0.00 C ATOM 368 C PHE A 24 -8.997 5.856 -4.030 1.00 0.00 C ATOM 369 O PHE A 24 -8.767 6.483 -2.998 1.00 0.00 O ATOM 370 CB PHE A 24 -7.336 4.960 -5.665 1.00 0.00 C ATOM 371 CG PHE A 24 -6.099 5.753 -5.305 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.920 5.085 -4.951 1.00 0.00 C ATOM 373 CD2 PHE A 24 -6.124 7.154 -5.343 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.768 5.816 -4.635 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.972 7.883 -5.023 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.796 7.215 -4.669 1.00 0.00 C ATOM 0 H PHE A 24 -9.294 3.370 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.482 4.391 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.049 4.036 -6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.947 5.527 -6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.899 4.006 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.031 7.671 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.858 5.300 -4.365 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.992 8.962 -5.050 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.909 7.779 -4.422 1.00 0.00 H new ATOM 386 N ASP A 25 -9.969 6.180 -4.890 1.00 0.00 N ATOM 387 CA ASP A 25 -10.845 7.338 -4.671 1.00 0.00 C ATOM 388 C ASP A 25 -11.558 7.290 -3.315 1.00 0.00 C ATOM 389 O ASP A 25 -11.736 8.327 -2.676 1.00 0.00 O ATOM 390 CB ASP A 25 -11.900 7.431 -5.779 1.00 0.00 C ATOM 391 CG ASP A 25 -12.405 8.866 -5.889 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.801 9.632 -6.621 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.389 9.179 -5.238 1.00 0.00 O ATOM 0 H ASP A 25 -10.169 5.658 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.200 8.217 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.472 7.112 -6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.730 6.759 -5.561 1.00 0.00 H new ATOM 398 N ILE A 26 -11.972 6.090 -2.880 1.00 0.00 N ATOM 399 CA ILE A 26 -12.666 5.961 -1.589 1.00 0.00 C ATOM 400 C ILE A 26 -11.829 6.580 -0.464 1.00 0.00 C ATOM 401 O ILE A 26 -12.365 7.219 0.443 1.00 0.00 O ATOM 402 CB ILE A 26 -12.961 4.490 -1.256 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.670 3.664 -1.352 1.00 0.00 C ATOM 404 CG2 ILE A 26 -14.001 3.945 -2.240 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.955 2.206 -0.990 1.00 0.00 C ATOM 0 H ILE A 26 -11.843 5.215 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.613 6.495 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.351 4.420 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.264 3.724 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.916 4.073 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.212 2.902 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.919 4.528 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.613 4.018 -3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.034 1.627 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.340 2.153 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.694 1.798 -1.679 1.00 0.00 H new ATOM 417 N PHE A 27 -10.507 6.400 -0.552 1.00 0.00 N ATOM 418 CA PHE A 27 -9.594 6.961 0.445 1.00 0.00 C ATOM 419 C PHE A 27 -9.260 8.418 0.102 1.00 0.00 C ATOM 420 O PHE A 27 -9.023 9.236 0.993 1.00 0.00 O ATOM 421 CB PHE A 27 -8.298 6.146 0.509 1.00 0.00 C ATOM 422 CG PHE A 27 -8.484 4.979 1.450 1.00 0.00 C ATOM 423 CD1 PHE A 27 -9.003 3.769 0.974 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.139 5.108 2.801 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.178 2.690 1.847 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.314 4.029 3.676 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.834 2.820 3.198 1.00 0.00 C ATOM 0 H PHE A 27 -10.050 5.875 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.089 6.922 1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.032 5.787 -0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.476 6.775 0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.268 3.669 -0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.737 6.041 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.578 1.757 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.048 4.129 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.970 1.987 3.872 1.00 0.00 H new ATOM 437 N ILE A 28 -9.245 8.730 -1.203 1.00 0.00 N ATOM 438 CA ILE A 28 -8.941 10.090 -1.666 1.00 0.00 C ATOM 439 C ILE A 28 -10.231 10.890 -1.885 1.00 0.00 C ATOM 440 O ILE A 28 -10.357 11.646 -2.852 1.00 0.00 O ATOM 441 CB ILE A 28 -8.146 10.051 -2.985 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.038 8.991 -2.920 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.504 11.413 -3.255 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.386 8.974 -1.532 1.00 0.00 C ATOM 0 H ILE A 28 -9.438 8.063 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.341 10.574 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.841 9.801 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.454 8.009 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.284 9.199 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.945 11.373 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.281 12.173 -3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.828 11.665 -2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.603 8.216 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.951 9.951 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.139 8.743 -0.779 1.00 0.00 H new ATOM 456 N GLN A 29 -11.189 10.725 -0.970 1.00 0.00 N ATOM 457 CA GLN A 29 -12.460 11.447 -1.072 1.00 0.00 C ATOM 458 C GLN A 29 -12.267 12.931 -0.739 1.00 0.00 C ATOM 459 O GLN A 29 -12.990 13.789 -1.246 1.00 0.00 O ATOM 460 CB GLN A 29 -13.522 10.845 -0.137 1.00 0.00 C ATOM 461 CG GLN A 29 -12.972 10.717 1.288 1.00 0.00 C ATOM 462 CD GLN A 29 -14.112 10.868 2.291 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.646 9.875 2.785 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.522 12.063 2.623 1.00 0.00 N ATOM 0 H GLN A 29 -11.112 10.108 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.808 11.351 -2.101 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.412 11.475 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.826 9.865 -0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.487 9.749 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.214 11.480 1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.080 12.886 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.284 12.173 3.291 1.00 0.00 H new ATOM 473 N ASP A 30 -11.274 13.221 0.114 1.00 0.00 N ATOM 474 CA ASP A 30 -10.985 14.603 0.504 1.00 0.00 C ATOM 475 C ASP A 30 -9.525 14.743 0.960 1.00 0.00 C ATOM 476 O ASP A 30 -9.226 15.450 1.927 1.00 0.00 O ATOM 477 CB ASP A 30 -11.922 15.045 1.635 1.00 0.00 C ATOM 478 CG ASP A 30 -12.601 16.359 1.254 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.542 16.313 0.479 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.171 17.389 1.744 1.00 0.00 O ATOM 0 H ASP A 30 -10.665 12.523 0.542 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.146 15.241 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.673 14.277 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.359 15.170 2.560 1.00 0.00 H new ATOM 485 N ALA A 31 -8.617 14.069 0.245 1.00 0.00 N ATOM 486 CA ALA A 31 -7.193 14.126 0.576 1.00 0.00 C ATOM 487 C ALA A 31 -6.620 15.505 0.252 1.00 0.00 C ATOM 488 O ALA A 31 -7.135 16.222 -0.609 1.00 0.00 O ATOM 489 CB ALA A 31 -6.417 13.068 -0.212 1.00 0.00 C ATOM 0 H ALA A 31 -8.842 13.483 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.091 13.933 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.360 13.125 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.799 12.077 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.539 13.247 -1.280 1.00 0.00 H new ATOM 495 N GLU A 32 -5.545 15.867 0.956 1.00 0.00 N ATOM 496 CA GLU A 32 -4.898 17.164 0.745 1.00 0.00 C ATOM 497 C GLU A 32 -4.164 17.189 -0.596 1.00 0.00 C ATOM 498 O GLU A 32 -4.320 18.124 -1.384 1.00 0.00 O ATOM 499 CB GLU A 32 -3.898 17.462 1.867 1.00 0.00 C ATOM 500 CG GLU A 32 -4.654 17.815 3.152 1.00 0.00 C ATOM 501 CD GLU A 32 -3.770 18.680 4.046 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.710 19.876 3.808 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.168 18.135 4.956 1.00 0.00 O ATOM 0 H GLU A 32 -5.107 15.286 1.671 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.678 17.925 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.258 16.596 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.248 18.287 1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.574 18.347 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.941 16.905 3.679 1.00 0.00 H new ATOM 510 N ASP A 33 -3.367 16.149 -0.843 1.00 0.00 N ATOM 511 CA ASP A 33 -2.610 16.049 -2.093 1.00 0.00 C ATOM 512 C ASP A 33 -3.353 15.179 -3.111 1.00 0.00 C ATOM 513 O ASP A 33 -3.379 15.489 -4.304 1.00 0.00 O ATOM 514 CB ASP A 33 -1.226 15.443 -1.834 1.00 0.00 C ATOM 515 CG ASP A 33 -0.338 15.645 -3.061 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.274 16.697 -3.160 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.285 14.746 -3.886 1.00 0.00 O ATOM 0 H ASP A 33 -3.229 15.369 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.499 17.056 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.770 15.912 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.320 14.380 -1.612 1.00 0.00 H new ATOM 522 N GLY A 34 -3.949 14.085 -2.626 1.00 0.00 N ATOM 523 CA GLY A 34 -4.688 13.167 -3.497 1.00 0.00 C ATOM 524 C GLY A 34 -4.009 11.797 -3.543 1.00 0.00 C ATOM 525 O GLY A 34 -3.821 11.219 -4.616 1.00 0.00 O ATOM 0 H GLY A 34 -3.934 13.815 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.711 13.059 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.748 13.582 -4.503 1.00 0.00 H new ATOM 529 N CYS A 35 -3.643 11.288 -2.362 1.00 0.00 N ATOM 530 CA CYS A 35 -2.981 9.984 -2.257 1.00 0.00 C ATOM 531 C CYS A 35 -3.199 9.390 -0.863 1.00 0.00 C ATOM 532 O CYS A 35 -3.748 10.047 0.025 1.00 0.00 O ATOM 533 CB CYS A 35 -1.470 10.108 -2.517 1.00 0.00 C ATOM 534 SG CYS A 35 -0.926 11.815 -2.250 1.00 0.00 S ATOM 0 H CYS A 35 -3.793 11.757 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.418 9.329 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.924 9.437 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.243 9.802 -3.538 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.897 12.444 -3.387 1.00 0.00 H new ATOM 540 N ILE A 36 -2.759 8.143 -0.680 1.00 0.00 N ATOM 541 CA ILE A 36 -2.909 7.473 0.613 1.00 0.00 C ATOM 542 C ILE A 36 -1.565 7.410 1.338 1.00 0.00 C ATOM 543 O ILE A 36 -0.560 7.930 0.852 1.00 0.00 O ATOM 544 CB ILE A 36 -3.465 6.050 0.432 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.557 5.245 -0.506 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.873 6.123 -0.163 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.916 4.091 0.267 1.00 0.00 C ATOM 0 H ILE A 36 -2.302 7.583 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.614 8.051 1.211 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.502 5.557 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.135 4.857 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.784 5.891 -0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.267 5.115 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.523 6.684 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.834 6.623 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.271 3.520 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.324 4.489 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.696 3.440 0.663 1.00 0.00 H new ATOM 559 N SER A 37 -1.557 6.774 2.510 1.00 0.00 N ATOM 560 CA SER A 37 -0.331 6.651 3.293 1.00 0.00 C ATOM 561 C SER A 37 0.375 5.336 2.981 1.00 0.00 C ATOM 562 O SER A 37 -0.262 4.288 2.850 1.00 0.00 O ATOM 563 CB SER A 37 -0.642 6.708 4.789 1.00 0.00 C ATOM 564 OG SER A 37 0.523 7.111 5.495 1.00 0.00 O ATOM 0 H SER A 37 -2.378 6.341 2.933 1.00 0.00 H new ATOM 0 HA SER A 37 0.321 7.483 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.456 7.409 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.975 5.731 5.141 1.00 0.00 H new ATOM 0 HG SER A 37 0.273 7.731 6.211 1.00 0.00 H new ATOM 570 N THR A 38 1.703 5.404 2.882 1.00 0.00 N ATOM 571 CA THR A 38 2.510 4.209 2.605 1.00 0.00 C ATOM 572 C THR A 38 2.312 3.170 3.708 1.00 0.00 C ATOM 573 O THR A 38 2.207 1.972 3.438 1.00 0.00 O ATOM 574 CB THR A 38 3.999 4.567 2.514 1.00 0.00 C ATOM 575 OG1 THR A 38 4.362 5.391 3.614 1.00 0.00 O ATOM 576 CG2 THR A 38 4.269 5.310 1.205 1.00 0.00 C ATOM 0 H THR A 38 2.241 6.264 2.988 1.00 0.00 H new ATOM 0 HA THR A 38 2.183 3.797 1.650 1.00 0.00 H new ATOM 0 HB THR A 38 4.591 3.652 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.186 6.329 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.327 5.564 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.998 4.674 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.675 6.223 1.176 1.00 0.00 H new ATOM 584 N LYS A 39 2.245 3.649 4.955 1.00 0.00 N ATOM 585 CA LYS A 39 2.041 2.766 6.104 1.00 0.00 C ATOM 586 C LYS A 39 0.597 2.241 6.152 1.00 0.00 C ATOM 587 O LYS A 39 0.318 1.239 6.813 1.00 0.00 O ATOM 588 CB LYS A 39 2.353 3.513 7.409 1.00 0.00 C ATOM 589 CG LYS A 39 1.316 4.618 7.649 1.00 0.00 C ATOM 590 CD LYS A 39 2.019 5.891 8.131 1.00 0.00 C ATOM 591 CE LYS A 39 1.975 5.956 9.659 1.00 0.00 C ATOM 592 NZ LYS A 39 2.283 7.344 10.110 1.00 0.00 N ATOM 0 H LYS A 39 2.329 4.638 5.192 1.00 0.00 H new ATOM 0 HA LYS A 39 2.717 1.918 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.351 2.814 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.352 3.947 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.767 4.820 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.587 4.291 8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.053 5.900 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.534 6.769 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.990 5.656 10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.695 5.257 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.253 7.386 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.232 7.614 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.580 8.001 9.716 1.00 0.00 H new ATOM 606 N GLU A 40 -0.317 2.928 5.448 1.00 0.00 N ATOM 607 CA GLU A 40 -1.722 2.518 5.423 1.00 0.00 C ATOM 608 C GLU A 40 -2.088 1.839 4.095 1.00 0.00 C ATOM 609 O GLU A 40 -3.270 1.695 3.770 1.00 0.00 O ATOM 610 CB GLU A 40 -2.630 3.735 5.631 1.00 0.00 C ATOM 611 CG GLU A 40 -3.806 3.352 6.535 1.00 0.00 C ATOM 612 CD GLU A 40 -4.277 4.580 7.307 1.00 0.00 C ATOM 613 OE1 GLU A 40 -3.733 4.832 8.371 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.175 5.250 6.825 1.00 0.00 O ATOM 0 H GLU A 40 -0.108 3.760 4.896 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.868 1.801 6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.064 4.551 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.999 4.094 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.623 2.951 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.504 2.567 7.229 1.00 0.00 H new ATOM 621 N LEU A 41 -1.071 1.412 3.332 1.00 0.00 N ATOM 622 CA LEU A 41 -1.317 0.743 2.053 1.00 0.00 C ATOM 623 C LEU A 41 -1.989 -0.610 2.282 1.00 0.00 C ATOM 624 O LEU A 41 -2.884 -1.006 1.537 1.00 0.00 O ATOM 625 CB LEU A 41 -0.009 0.520 1.289 1.00 0.00 C ATOM 626 CG LEU A 41 -0.066 0.883 -0.195 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.308 0.661 -0.832 1.00 0.00 C ATOM 628 CD2 LEU A 41 -1.106 0.003 -0.899 1.00 0.00 C ATOM 0 H LEU A 41 -0.086 1.517 3.576 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.970 1.387 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.777 1.108 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.276 -0.528 1.382 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.347 1.931 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.265 0.920 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.046 1.290 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.593 -0.386 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.146 0.263 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.827 -1.045 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.085 0.166 -0.448 1.00 0.00 H new ATOM 640 N GLY A 42 -1.550 -1.308 3.329 1.00 0.00 N ATOM 641 CA GLY A 42 -2.114 -2.617 3.668 1.00 0.00 C ATOM 642 C GLY A 42 -3.618 -2.532 3.964 1.00 0.00 C ATOM 643 O GLY A 42 -4.319 -3.545 3.934 1.00 0.00 O ATOM 0 H GLY A 42 -0.809 -0.992 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.945 -3.310 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.595 -3.022 4.537 1.00 0.00 H new ATOM 647 N LYS A 43 -4.107 -1.317 4.252 1.00 0.00 N ATOM 648 CA LYS A 43 -5.527 -1.118 4.552 1.00 0.00 C ATOM 649 C LYS A 43 -6.336 -0.925 3.267 1.00 0.00 C ATOM 650 O LYS A 43 -7.448 -1.443 3.143 1.00 0.00 O ATOM 651 CB LYS A 43 -5.720 0.111 5.450 1.00 0.00 C ATOM 652 CG LYS A 43 -4.864 -0.025 6.716 1.00 0.00 C ATOM 653 CD LYS A 43 -5.415 -1.150 7.597 1.00 0.00 C ATOM 654 CE LYS A 43 -4.558 -1.276 8.860 1.00 0.00 C ATOM 655 NZ LYS A 43 -4.630 -2.673 9.377 1.00 0.00 N ATOM 0 H LYS A 43 -3.544 -0.467 4.283 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.882 -2.009 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.442 1.015 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.771 0.212 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.829 -0.236 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.864 0.915 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.450 -0.941 7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.412 -2.091 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.524 -1.013 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.908 -0.578 9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.047 -2.756 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.617 -2.908 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.276 -3.330 8.653 1.00 0.00 H new ATOM 669 N VAL A 44 -5.770 -0.172 2.314 1.00 0.00 N ATOM 670 CA VAL A 44 -6.457 0.087 1.043 1.00 0.00 C ATOM 671 C VAL A 44 -6.493 -1.173 0.168 1.00 0.00 C ATOM 672 O VAL A 44 -7.492 -1.438 -0.504 1.00 0.00 O ATOM 673 CB VAL A 44 -5.787 1.238 0.275 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.885 2.528 1.096 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.310 0.922 0.018 1.00 0.00 C ATOM 0 H VAL A 44 -4.851 0.263 2.397 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.481 0.376 1.280 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.298 1.362 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.410 3.343 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.934 2.770 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.382 2.389 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.851 1.747 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.796 0.785 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.231 0.009 -0.572 1.00 0.00 H new ATOM 685 N MET A 45 -5.403 -1.953 0.191 1.00 0.00 N ATOM 686 CA MET A 45 -5.341 -3.189 -0.600 1.00 0.00 C ATOM 687 C MET A 45 -6.288 -4.242 -0.026 1.00 0.00 C ATOM 688 O MET A 45 -6.901 -5.013 -0.763 1.00 0.00 O ATOM 689 CB MET A 45 -3.919 -3.762 -0.632 1.00 0.00 C ATOM 690 CG MET A 45 -3.414 -4.040 0.789 1.00 0.00 C ATOM 691 SD MET A 45 -1.750 -4.750 0.705 1.00 0.00 S ATOM 692 CE MET A 45 -0.865 -3.208 0.365 1.00 0.00 C ATOM 0 H MET A 45 -4.566 -1.755 0.739 1.00 0.00 H new ATOM 0 HA MET A 45 -5.643 -2.937 -1.617 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.906 -4.683 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.250 -3.060 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.399 -3.117 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.089 -4.727 1.299 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.142 -3.372 -0.434 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.576 -2.440 0.059 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.344 -2.882 1.265 1.00 0.00 H new ATOM 702 N ARG A 46 -6.398 -4.249 1.304 1.00 0.00 N ATOM 703 CA ARG A 46 -7.278 -5.194 2.001 1.00 0.00 C ATOM 704 C ARG A 46 -8.707 -5.077 1.470 1.00 0.00 C ATOM 705 O ARG A 46 -9.372 -6.085 1.224 1.00 0.00 O ATOM 706 CB ARG A 46 -7.278 -4.922 3.510 1.00 0.00 C ATOM 707 CG ARG A 46 -6.499 -6.024 4.230 1.00 0.00 C ATOM 708 CD ARG A 46 -6.766 -5.944 5.735 1.00 0.00 C ATOM 709 NE ARG A 46 -6.151 -7.077 6.431 1.00 0.00 N ATOM 710 CZ ARG A 46 -4.860 -7.071 6.797 1.00 0.00 C ATOM 711 NH1 ARG A 46 -4.091 -6.037 6.542 1.00 0.00 N ATOM 712 NH2 ARG A 46 -4.360 -8.111 7.415 1.00 0.00 N ATOM 0 H ARG A 46 -5.891 -3.614 1.920 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.902 -6.201 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.827 -3.951 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.302 -4.883 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.796 -7.001 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.432 -5.917 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.369 -5.009 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.840 -5.938 5.919 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.722 -7.895 6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.473 -5.224 6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.112 -6.047 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.951 -8.918 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.380 -8.114 7.697 1.00 0.00 H new ATOM 726 N MET A 47 -9.162 -3.831 1.280 1.00 0.00 N ATOM 727 CA MET A 47 -10.507 -3.583 0.756 1.00 0.00 C ATOM 728 C MET A 47 -10.638 -4.162 -0.655 1.00 0.00 C ATOM 729 O MET A 47 -11.686 -4.697 -1.024 1.00 0.00 O ATOM 730 CB MET A 47 -10.799 -2.078 0.706 1.00 0.00 C ATOM 731 CG MET A 47 -11.702 -1.691 1.879 1.00 0.00 C ATOM 732 SD MET A 47 -10.727 -1.633 3.405 1.00 0.00 S ATOM 733 CE MET A 47 -11.974 -2.354 4.500 1.00 0.00 C ATOM 0 H MET A 47 -8.623 -2.989 1.480 1.00 0.00 H new ATOM 0 HA MET A 47 -11.223 -4.066 1.421 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.867 -1.515 0.750 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.281 -1.822 -0.237 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.161 -0.720 1.692 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.512 -2.413 1.981 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.577 -2.414 5.514 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.867 -1.729 4.496 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.230 -3.354 4.151 1.00 0.00 H new ATOM 743 N LEU A 48 -9.553 -4.056 -1.432 1.00 0.00 N ATOM 744 CA LEU A 48 -9.535 -4.581 -2.799 1.00 0.00 C ATOM 745 C LEU A 48 -9.687 -6.103 -2.790 1.00 0.00 C ATOM 746 O LEU A 48 -10.462 -6.666 -3.566 1.00 0.00 O ATOM 747 CB LEU A 48 -8.216 -4.217 -3.489 1.00 0.00 C ATOM 748 CG LEU A 48 -8.325 -3.168 -4.595 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.931 -2.642 -4.938 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.954 -3.805 -5.833 1.00 0.00 C ATOM 0 H LEU A 48 -8.682 -3.614 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.369 -4.137 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.518 -3.854 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.784 -5.124 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.948 -2.340 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.008 -1.894 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.484 -2.190 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.305 -3.466 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.034 -3.060 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.330 -4.631 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.947 -4.179 -5.585 1.00 0.00 H new ATOM 762 N GLY A 49 -8.936 -6.759 -1.898 1.00 0.00 N ATOM 763 CA GLY A 49 -8.984 -8.216 -1.783 1.00 0.00 C ATOM 764 C GLY A 49 -7.582 -8.790 -1.596 1.00 0.00 C ATOM 765 O GLY A 49 -7.123 -9.612 -2.393 1.00 0.00 O ATOM 0 H GLY A 49 -8.292 -6.305 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.613 -8.498 -0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.440 -8.641 -2.677 1.00 0.00 H new ATOM 769 N GLN A 50 -6.909 -8.345 -0.532 1.00 0.00 N ATOM 770 CA GLN A 50 -5.552 -8.812 -0.237 1.00 0.00 C ATOM 771 C GLN A 50 -5.333 -8.906 1.272 1.00 0.00 C ATOM 772 O GLN A 50 -5.943 -8.170 2.049 1.00 0.00 O ATOM 773 CB GLN A 50 -4.511 -7.856 -0.829 1.00 0.00 C ATOM 774 CG GLN A 50 -4.085 -8.352 -2.212 1.00 0.00 C ATOM 775 CD GLN A 50 -3.018 -7.421 -2.781 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.827 -7.607 -2.534 1.00 0.00 O ATOM 777 NE2 GLN A 50 -3.378 -6.416 -3.535 1.00 0.00 N ATOM 0 H GLN A 50 -7.278 -7.667 0.135 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.436 -9.799 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.927 -6.851 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.644 -7.794 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.696 -9.368 -2.142 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.946 -8.386 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.365 -6.261 -3.741 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.672 -5.787 -3.918 1.00 0.00 H new ATOM 786 N ASN A 51 -4.450 -9.822 1.674 1.00 0.00 N ATOM 787 CA ASN A 51 -4.147 -10.009 3.093 1.00 0.00 C ATOM 788 C ASN A 51 -2.694 -10.466 3.272 1.00 0.00 C ATOM 789 O ASN A 51 -2.427 -11.625 3.601 1.00 0.00 O ATOM 790 CB ASN A 51 -5.097 -11.045 3.710 1.00 0.00 C ATOM 791 CG ASN A 51 -5.274 -10.753 5.199 1.00 0.00 C ATOM 792 OD1 ASN A 51 -6.155 -9.984 5.584 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.484 -11.327 6.064 1.00 0.00 N ATOM 0 H ASN A 51 -3.937 -10.440 1.044 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.284 -9.055 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.063 -11.014 3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.697 -12.049 3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.596 -11.139 7.060 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.754 -11.964 5.744 1.00 0.00 H new ATOM 800 N PRO A 52 -1.738 -9.553 3.052 1.00 0.00 N ATOM 801 CA PRO A 52 -0.300 -9.860 3.186 1.00 0.00 C ATOM 802 C PRO A 52 0.193 -9.778 4.634 1.00 0.00 C ATOM 803 O PRO A 52 -0.601 -9.706 5.575 1.00 0.00 O ATOM 804 CB PRO A 52 0.340 -8.763 2.339 1.00 0.00 C ATOM 805 CG PRO A 52 -0.647 -7.604 2.290 1.00 0.00 C ATOM 806 CD PRO A 52 -2.029 -8.158 2.654 1.00 0.00 C ATOM 0 HA PRO A 52 -0.059 -10.876 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.288 -8.444 2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.556 -9.128 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.352 -6.820 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.663 -7.156 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.488 -7.595 3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.716 -8.115 1.809 1.00 0.00 H new ATOM 814 N THR A 53 1.517 -9.778 4.789 1.00 0.00 N ATOM 815 CA THR A 53 2.138 -9.689 6.112 1.00 0.00 C ATOM 816 C THR A 53 2.727 -8.287 6.296 1.00 0.00 C ATOM 817 O THR A 53 2.719 -7.483 5.361 1.00 0.00 O ATOM 818 CB THR A 53 3.252 -10.749 6.257 1.00 0.00 C ATOM 819 OG1 THR A 53 4.453 -10.275 5.661 1.00 0.00 O ATOM 820 CG2 THR A 53 2.829 -12.050 5.572 1.00 0.00 C ATOM 0 H THR A 53 2.180 -9.839 4.016 1.00 0.00 H new ATOM 0 HA THR A 53 1.383 -9.875 6.876 1.00 0.00 H new ATOM 0 HB THR A 53 3.421 -10.936 7.317 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.155 -10.951 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.621 -12.792 5.679 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.916 -12.424 6.034 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.649 -11.862 4.514 1.00 0.00 H new ATOM 828 N PRO A 54 3.259 -7.971 7.483 1.00 0.00 N ATOM 829 CA PRO A 54 3.859 -6.646 7.735 1.00 0.00 C ATOM 830 C PRO A 54 5.214 -6.487 7.043 1.00 0.00 C ATOM 831 O PRO A 54 5.626 -5.377 6.705 1.00 0.00 O ATOM 832 CB PRO A 54 3.996 -6.624 9.251 1.00 0.00 C ATOM 833 CG PRO A 54 4.013 -8.073 9.716 1.00 0.00 C ATOM 834 CD PRO A 54 3.309 -8.899 8.636 1.00 0.00 C ATOM 0 HA PRO A 54 3.259 -5.825 7.342 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.912 -6.113 9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.166 -6.083 9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.036 -8.419 9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.503 -8.176 10.674 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.862 -9.808 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.311 -9.206 8.950 1.00 0.00 H new ATOM 842 N GLU A 55 5.887 -7.618 6.822 1.00 0.00 N ATOM 843 CA GLU A 55 7.185 -7.616 6.151 1.00 0.00 C ATOM 844 C GLU A 55 6.990 -7.590 4.632 1.00 0.00 C ATOM 845 O GLU A 55 7.676 -6.855 3.920 1.00 0.00 O ATOM 846 CB GLU A 55 7.999 -8.866 6.524 1.00 0.00 C ATOM 847 CG GLU A 55 7.935 -9.113 8.039 1.00 0.00 C ATOM 848 CD GLU A 55 8.479 -7.899 8.789 1.00 0.00 C ATOM 849 OE1 GLU A 55 9.682 -7.697 8.758 1.00 0.00 O ATOM 850 OE2 GLU A 55 7.683 -7.190 9.384 1.00 0.00 O ATOM 0 H GLU A 55 5.555 -8.542 7.097 1.00 0.00 H new ATOM 0 HA GLU A 55 7.727 -6.727 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.610 -9.734 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.036 -8.739 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.906 -9.306 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.515 -10.000 8.296 1.00 0.00 H new ATOM 857 N GLU A 56 6.042 -8.406 4.149 1.00 0.00 N ATOM 858 CA GLU A 56 5.750 -8.485 2.714 1.00 0.00 C ATOM 859 C GLU A 56 5.223 -7.153 2.183 1.00 0.00 C ATOM 860 O GLU A 56 5.710 -6.646 1.172 1.00 0.00 O ATOM 861 CB GLU A 56 4.709 -9.575 2.435 1.00 0.00 C ATOM 862 CG GLU A 56 5.384 -10.949 2.465 1.00 0.00 C ATOM 863 CD GLU A 56 4.506 -11.966 1.741 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.644 -12.539 2.386 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.710 -12.156 0.553 1.00 0.00 O ATOM 0 H GLU A 56 5.468 -9.017 4.730 1.00 0.00 H new ATOM 0 HA GLU A 56 6.683 -8.728 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.914 -9.533 3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.244 -9.408 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.363 -10.895 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.547 -11.263 3.496 1.00 0.00 H new ATOM 872 N LEU A 57 4.220 -6.592 2.873 1.00 0.00 N ATOM 873 CA LEU A 57 3.638 -5.317 2.454 1.00 0.00 C ATOM 874 C LEU A 57 4.702 -4.213 2.452 1.00 0.00 C ATOM 875 O LEU A 57 4.708 -3.351 1.572 1.00 0.00 O ATOM 876 CB LEU A 57 2.463 -4.931 3.372 1.00 0.00 C ATOM 877 CG LEU A 57 2.517 -3.529 3.994 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.094 -3.028 4.250 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.285 -3.582 5.319 1.00 0.00 C ATOM 0 H LEU A 57 3.802 -6.997 3.711 1.00 0.00 H new ATOM 0 HA LEU A 57 3.259 -5.431 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.539 -5.016 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.406 -5.661 4.179 1.00 0.00 H new ATOM 0 HG LEU A 57 3.024 -2.850 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.133 -2.032 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.548 -2.986 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.586 -3.709 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.322 -2.585 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.781 -4.263 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.300 -3.936 5.137 1.00 0.00 H new ATOM 891 N GLN A 58 5.602 -4.254 3.443 1.00 0.00 N ATOM 892 CA GLN A 58 6.671 -3.256 3.543 1.00 0.00 C ATOM 893 C GLN A 58 7.535 -3.265 2.282 1.00 0.00 C ATOM 894 O GLN A 58 7.836 -2.213 1.717 1.00 0.00 O ATOM 895 CB GLN A 58 7.558 -3.529 4.766 1.00 0.00 C ATOM 896 CG GLN A 58 8.326 -2.256 5.142 1.00 0.00 C ATOM 897 CD GLN A 58 7.353 -1.204 5.669 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.070 -1.157 6.865 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.819 -0.348 4.838 1.00 0.00 N ATOM 0 H GLN A 58 5.611 -4.960 4.179 1.00 0.00 H new ATOM 0 HA GLN A 58 6.203 -2.278 3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.945 -3.857 5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.257 -4.336 4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.076 -2.483 5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.858 -1.870 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.053 -0.386 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.168 0.358 5.182 1.00 0.00 H new ATOM 908 N GLU A 59 7.922 -4.468 1.845 1.00 0.00 N ATOM 909 CA GLU A 59 8.746 -4.613 0.639 1.00 0.00 C ATOM 910 C GLU A 59 8.018 -4.055 -0.585 1.00 0.00 C ATOM 911 O GLU A 59 8.643 -3.486 -1.479 1.00 0.00 O ATOM 912 CB GLU A 59 9.081 -6.087 0.389 1.00 0.00 C ATOM 913 CG GLU A 59 10.134 -6.556 1.398 1.00 0.00 C ATOM 914 CD GLU A 59 10.092 -8.077 1.512 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.297 -8.573 2.295 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.855 -8.726 0.814 1.00 0.00 O ATOM 0 H GLU A 59 7.681 -5.347 2.302 1.00 0.00 H new ATOM 0 HA GLU A 59 9.667 -4.052 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.181 -6.695 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.453 -6.218 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.125 -6.232 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.947 -6.103 2.372 1.00 0.00 H new ATOM 923 N MET A 60 6.691 -4.220 -0.612 1.00 0.00 N ATOM 924 CA MET A 60 5.889 -3.722 -1.730 1.00 0.00 C ATOM 925 C MET A 60 5.847 -2.195 -1.719 1.00 0.00 C ATOM 926 O MET A 60 6.077 -1.557 -2.743 1.00 0.00 O ATOM 927 CB MET A 60 4.457 -4.265 -1.655 1.00 0.00 C ATOM 928 CG MET A 60 4.440 -5.727 -2.104 1.00 0.00 C ATOM 929 SD MET A 60 2.761 -6.387 -1.949 1.00 0.00 S ATOM 930 CE MET A 60 2.673 -7.171 -3.578 1.00 0.00 C ATOM 0 H MET A 60 6.157 -4.689 0.119 1.00 0.00 H new ATOM 0 HA MET A 60 6.355 -4.066 -2.654 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.079 -4.182 -0.636 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.798 -3.671 -2.289 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.779 -5.805 -3.137 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.130 -6.313 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.701 -7.650 -3.699 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.805 -6.416 -4.353 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.460 -7.920 -3.664 1.00 0.00 H new ATOM 940 N ILE A 61 5.555 -1.620 -0.545 1.00 0.00 N ATOM 941 CA ILE A 61 5.480 -0.163 -0.390 1.00 0.00 C ATOM 942 C ILE A 61 6.734 0.521 -0.945 1.00 0.00 C ATOM 943 O ILE A 61 6.668 1.248 -1.936 1.00 0.00 O ATOM 944 CB ILE A 61 5.327 0.186 1.095 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.933 -0.227 1.566 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.519 1.689 1.310 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.010 -0.701 3.014 1.00 0.00 C ATOM 0 H ILE A 61 5.367 -2.142 0.311 1.00 0.00 H new ATOM 0 HA ILE A 61 4.617 0.195 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 61 6.085 -0.348 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.244 0.614 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.543 -1.023 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.408 1.922 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.515 1.980 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.771 2.237 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.017 -0.996 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.686 -1.554 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.382 0.108 3.642 1.00 0.00 H new ATOM 959 N ASP A 62 7.866 0.291 -0.279 1.00 0.00 N ATOM 960 CA ASP A 62 9.140 0.894 -0.689 1.00 0.00 C ATOM 961 C ASP A 62 9.432 0.651 -2.175 1.00 0.00 C ATOM 962 O ASP A 62 9.948 1.534 -2.865 1.00 0.00 O ATOM 963 CB ASP A 62 10.292 0.320 0.145 1.00 0.00 C ATOM 964 CG ASP A 62 10.149 0.766 1.599 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.503 0.059 2.356 1.00 0.00 O ATOM 966 OD2 ASP A 62 10.691 1.806 1.935 1.00 0.00 O ATOM 0 H ASP A 62 7.930 -0.307 0.545 1.00 0.00 H new ATOM 0 HA ASP A 62 9.056 1.968 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.288 -0.768 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.247 0.658 -0.256 1.00 0.00 H new ATOM 971 N GLU A 63 9.108 -0.554 -2.660 1.00 0.00 N ATOM 972 CA GLU A 63 9.355 -0.897 -4.067 1.00 0.00 C ATOM 973 C GLU A 63 8.460 -0.088 -5.013 1.00 0.00 C ATOM 974 O GLU A 63 8.942 0.481 -5.995 1.00 0.00 O ATOM 975 CB GLU A 63 9.110 -2.390 -4.311 1.00 0.00 C ATOM 976 CG GLU A 63 10.371 -3.185 -3.952 1.00 0.00 C ATOM 977 CD GLU A 63 11.159 -3.501 -5.221 1.00 0.00 C ATOM 978 OE1 GLU A 63 10.844 -4.492 -5.861 1.00 0.00 O ATOM 979 OE2 GLU A 63 12.069 -2.750 -5.533 1.00 0.00 O ATOM 0 H GLU A 63 8.680 -1.298 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 63 10.397 -0.654 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.268 -2.733 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.846 -2.559 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.990 -2.612 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.097 -4.109 -3.443 1.00 0.00 H new ATOM 986 N VAL A 64 7.155 -0.051 -4.720 1.00 0.00 N ATOM 987 CA VAL A 64 6.204 0.684 -5.571 1.00 0.00 C ATOM 988 C VAL A 64 6.406 2.200 -5.465 1.00 0.00 C ATOM 989 O VAL A 64 6.110 2.932 -6.411 1.00 0.00 O ATOM 990 CB VAL A 64 4.747 0.344 -5.214 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.540 -1.176 -5.243 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.404 0.885 -3.820 1.00 0.00 C ATOM 0 H VAL A 64 6.735 -0.513 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 64 6.402 0.371 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 64 4.090 0.810 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.506 -1.407 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.762 -1.554 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.205 -1.648 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.370 0.638 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.067 0.434 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.531 1.968 -3.808 1.00 0.00 H new ATOM 1002 N ASP A 65 6.908 2.666 -4.311 1.00 0.00 N ATOM 1003 CA ASP A 65 7.138 4.099 -4.113 1.00 0.00 C ATOM 1004 C ASP A 65 8.335 4.553 -4.950 1.00 0.00 C ATOM 1005 O ASP A 65 9.465 4.640 -4.461 1.00 0.00 O ATOM 1006 CB ASP A 65 7.396 4.419 -2.632 1.00 0.00 C ATOM 1007 CG ASP A 65 6.688 5.723 -2.253 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.874 6.707 -2.951 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.968 5.715 -1.270 1.00 0.00 O ATOM 0 H ASP A 65 7.158 2.080 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 65 6.242 4.633 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.035 3.603 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.467 4.510 -2.451 1.00 0.00 H new ATOM 1014 N GLU A 66 8.063 4.825 -6.227 1.00 0.00 N ATOM 1015 CA GLU A 66 9.103 5.258 -7.165 1.00 0.00 C ATOM 1016 C GLU A 66 9.853 6.497 -6.659 1.00 0.00 C ATOM 1017 O GLU A 66 11.065 6.619 -6.852 1.00 0.00 O ATOM 1018 CB GLU A 66 8.480 5.564 -8.535 1.00 0.00 C ATOM 1019 CG GLU A 66 7.518 6.758 -8.435 1.00 0.00 C ATOM 1020 CD GLU A 66 6.332 6.547 -9.373 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.494 6.768 -10.562 1.00 0.00 O ATOM 1022 OE2 GLU A 66 5.279 6.170 -8.889 1.00 0.00 O ATOM 0 H GLU A 66 7.132 4.754 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 66 9.821 4.443 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.266 5.783 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.945 4.688 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.167 6.869 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.039 7.679 -8.695 1.00 0.00 H new ATOM 1029 N ASP A 67 9.123 7.412 -6.016 1.00 0.00 N ATOM 1030 CA ASP A 67 9.729 8.641 -5.494 1.00 0.00 C ATOM 1031 C ASP A 67 10.233 8.447 -4.060 1.00 0.00 C ATOM 1032 O ASP A 67 11.323 8.902 -3.710 1.00 0.00 O ATOM 1033 CB ASP A 67 8.726 9.811 -5.529 1.00 0.00 C ATOM 1034 CG ASP A 67 7.373 9.384 -4.950 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.586 8.807 -5.683 1.00 0.00 O ATOM 1036 OD2 ASP A 67 7.144 9.645 -3.783 1.00 0.00 O ATOM 0 H ASP A 67 8.121 7.328 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 67 10.577 8.878 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.121 10.652 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.596 10.154 -6.555 1.00 0.00 H new ATOM 1041 N GLY A 68 9.425 7.775 -3.236 1.00 0.00 N ATOM 1042 CA GLY A 68 9.790 7.534 -1.841 1.00 0.00 C ATOM 1043 C GLY A 68 9.611 8.806 -1.017 1.00 0.00 C ATOM 1044 O GLY A 68 10.533 9.255 -0.333 1.00 0.00 O ATOM 0 H GLY A 68 8.520 7.391 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.172 6.736 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.825 7.198 -1.782 1.00 0.00 H new ATOM 1048 N SER A 69 8.410 9.386 -1.101 1.00 0.00 N ATOM 1049 CA SER A 69 8.104 10.616 -0.370 1.00 0.00 C ATOM 1050 C SER A 69 7.466 10.297 0.981 1.00 0.00 C ATOM 1051 O SER A 69 7.931 10.758 2.026 1.00 0.00 O ATOM 1052 CB SER A 69 7.148 11.505 -1.176 1.00 0.00 C ATOM 1053 OG SER A 69 5.964 10.777 -1.489 1.00 0.00 O ATOM 0 H SER A 69 7.640 9.026 -1.664 1.00 0.00 H new ATOM 0 HA SER A 69 9.043 11.147 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.897 12.398 -0.604 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.633 11.840 -2.093 1.00 0.00 H new ATOM 0 HG SER A 69 6.107 10.257 -2.307 1.00 0.00 H new ATOM 1059 N GLY A 70 6.389 9.508 0.943 1.00 0.00 N ATOM 1060 CA GLY A 70 5.674 9.131 2.163 1.00 0.00 C ATOM 1061 C GLY A 70 4.237 8.703 1.850 1.00 0.00 C ATOM 1062 O GLY A 70 3.653 7.890 2.566 1.00 0.00 O ATOM 0 H GLY A 70 5.996 9.120 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.200 8.315 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.663 9.972 2.857 1.00 0.00 H new ATOM 1066 N THR A 71 3.672 9.263 0.771 1.00 0.00 N ATOM 1067 CA THR A 71 2.305 8.931 0.370 1.00 0.00 C ATOM 1068 C THR A 71 2.313 8.065 -0.888 1.00 0.00 C ATOM 1069 O THR A 71 3.231 8.145 -1.709 1.00 0.00 O ATOM 1070 CB THR A 71 1.499 10.206 0.091 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.103 10.929 -0.975 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.472 11.077 1.349 1.00 0.00 C ATOM 0 H THR A 71 4.138 9.941 0.168 1.00 0.00 H new ATOM 0 HA THR A 71 1.841 8.381 1.189 1.00 0.00 H new ATOM 0 HB THR A 71 0.480 9.937 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.405 11.318 -1.543 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.899 11.983 1.152 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.006 10.524 2.165 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.491 11.345 1.628 1.00 0.00 H new ATOM 1080 N VAL A 72 1.274 7.238 -1.030 1.00 0.00 N ATOM 1081 CA VAL A 72 1.163 6.359 -2.191 1.00 0.00 C ATOM 1082 C VAL A 72 0.128 6.905 -3.169 1.00 0.00 C ATOM 1083 O VAL A 72 -1.071 6.921 -2.883 1.00 0.00 O ATOM 1084 CB VAL A 72 0.751 4.942 -1.774 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.766 4.021 -2.998 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.729 4.409 -0.724 1.00 0.00 C ATOM 0 H VAL A 72 0.507 7.160 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 72 2.142 6.319 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.254 4.970 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.473 3.014 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.066 4.396 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.770 3.996 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.434 3.402 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.735 4.384 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.716 5.061 0.150 1.00 0.00 H new ATOM 1096 N ASP A 73 0.607 7.335 -4.333 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.279 7.863 -5.365 1.00 0.00 C ATOM 1098 C ASP A 73 -0.824 6.714 -6.210 1.00 0.00 C ATOM 1099 O ASP A 73 -0.534 5.545 -5.947 1.00 0.00 O ATOM 1100 CB ASP A 73 0.468 8.850 -6.268 1.00 0.00 C ATOM 1101 CG ASP A 73 0.759 10.131 -5.490 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -0.088 11.010 -5.494 1.00 0.00 O ATOM 1103 OD2 ASP A 73 1.824 10.214 -4.897 1.00 0.00 O ATOM 0 H ASP A 73 1.596 7.328 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.102 8.387 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.399 8.405 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.130 9.076 -7.151 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.625 7.052 -7.217 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.214 6.030 -8.082 1.00 0.00 C ATOM 1110 C PHE A 74 -1.141 5.282 -8.878 1.00 0.00 C ATOM 1111 O PHE A 74 -1.239 4.073 -9.059 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.219 6.652 -9.055 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.263 5.623 -9.420 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.932 4.919 -8.414 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.556 5.370 -10.764 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.898 3.964 -8.750 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.522 4.415 -11.102 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.195 3.714 -10.095 1.00 0.00 C ATOM 0 H PHE A 74 -1.879 8.011 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.728 5.321 -7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.693 7.522 -8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.707 7.001 -9.952 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.703 5.113 -7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.037 5.911 -11.541 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.414 3.420 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.748 4.219 -12.140 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.943 2.980 -10.355 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.111 6.001 -9.342 1.00 0.00 N ATOM 1129 CA ASP A 75 0.964 5.357 -10.107 1.00 0.00 C ATOM 1130 C ASP A 75 1.654 4.294 -9.254 1.00 0.00 C ATOM 1131 O ASP A 75 2.034 3.235 -9.752 1.00 0.00 O ATOM 1132 CB ASP A 75 2.003 6.386 -10.569 1.00 0.00 C ATOM 1133 CG ASP A 75 1.752 6.746 -12.030 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.963 7.645 -12.272 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.352 6.116 -12.886 1.00 0.00 O ATOM 0 H ASP A 75 0.001 7.006 -9.206 1.00 0.00 H new ATOM 0 HA ASP A 75 0.516 4.890 -10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.945 7.280 -9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.008 5.981 -10.451 1.00 0.00 H new ATOM 1140 N GLU A 76 1.784 4.587 -7.958 1.00 0.00 N ATOM 1141 CA GLU A 76 2.402 3.650 -7.018 1.00 0.00 C ATOM 1142 C GLU A 76 1.386 2.575 -6.614 1.00 0.00 C ATOM 1143 O GLU A 76 1.753 1.454 -6.255 1.00 0.00 O ATOM 1144 CB GLU A 76 2.883 4.390 -5.764 1.00 0.00 C ATOM 1145 CG GLU A 76 3.572 5.700 -6.172 1.00 0.00 C ATOM 1146 CD GLU A 76 3.861 6.556 -4.936 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.221 5.997 -3.913 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.714 7.763 -5.034 1.00 0.00 O ATOM 0 H GLU A 76 1.471 5.462 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 76 3.258 3.182 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.039 4.600 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.575 3.763 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.502 5.481 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.937 6.252 -6.865 1.00 0.00 H new ATOM 1155 N PHE A 77 0.101 2.940 -6.685 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.989 2.026 -6.344 1.00 0.00 C ATOM 1157 C PHE A 77 -1.237 1.015 -7.477 1.00 0.00 C ATOM 1158 O PHE A 77 -1.721 -0.093 -7.237 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.266 2.846 -6.095 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.390 1.962 -5.611 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.498 1.643 -4.251 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.336 1.477 -6.524 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.550 0.835 -3.805 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.387 0.668 -6.075 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.493 0.349 -4.717 1.00 0.00 C ATOM 0 H PHE A 77 -0.208 3.867 -6.977 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.715 1.470 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.066 3.623 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.564 3.349 -7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.770 2.020 -3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.255 1.727 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.634 0.587 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.116 0.290 -6.777 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.305 -0.274 -4.372 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.907 1.414 -8.712 1.00 0.00 N ATOM 1176 CA LEU A 78 -1.106 0.546 -9.880 1.00 0.00 C ATOM 1177 C LEU A 78 0.096 -0.372 -10.103 1.00 0.00 C ATOM 1178 O LEU A 78 -0.066 -1.539 -10.470 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.320 1.386 -11.147 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.656 2.154 -11.256 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -3.393 2.181 -9.911 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -2.366 3.584 -11.721 1.00 0.00 C ATOM 0 H LEU A 78 -0.504 2.326 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.989 -0.061 -9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.506 2.108 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.236 0.726 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.298 1.646 -11.976 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.329 2.728 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.604 1.161 -9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.770 2.673 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.302 4.137 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.715 4.076 -10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.875 3.558 -12.694 1.00 0.00 H new ATOM 1194 N VAL A 79 1.307 0.166 -9.890 1.00 0.00 N ATOM 1195 CA VAL A 79 2.532 -0.623 -10.083 1.00 0.00 C ATOM 1196 C VAL A 79 2.529 -1.877 -9.209 1.00 0.00 C ATOM 1197 O VAL A 79 3.141 -2.878 -9.564 1.00 0.00 O ATOM 1198 CB VAL A 79 3.797 0.188 -9.762 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.041 1.225 -10.859 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.650 0.891 -8.411 1.00 0.00 C ATOM 0 H VAL A 79 1.463 1.128 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 79 2.546 -0.905 -11.136 1.00 0.00 H new ATOM 0 HB VAL A 79 4.646 -0.494 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.939 1.797 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.171 0.719 -11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.187 1.899 -10.919 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.554 1.461 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.794 1.565 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.497 0.148 -7.629 1.00 0.00 H new ATOM 1210 N MET A 80 1.842 -1.809 -8.063 1.00 0.00 N ATOM 1211 CA MET A 80 1.767 -2.948 -7.135 1.00 0.00 C ATOM 1212 C MET A 80 1.462 -4.269 -7.859 1.00 0.00 C ATOM 1213 O MET A 80 1.933 -5.332 -7.446 1.00 0.00 O ATOM 1214 CB MET A 80 0.677 -2.701 -6.089 1.00 0.00 C ATOM 1215 CG MET A 80 1.306 -2.189 -4.792 1.00 0.00 C ATOM 1216 SD MET A 80 0.250 -2.634 -3.391 1.00 0.00 S ATOM 1217 CE MET A 80 -1.159 -1.580 -3.816 1.00 0.00 C ATOM 0 H MET A 80 1.331 -0.982 -7.755 1.00 0.00 H new ATOM 0 HA MET A 80 2.744 -3.035 -6.659 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.043 -1.974 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.128 -3.623 -5.898 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.299 -2.619 -4.663 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.430 -1.107 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.889 -1.605 -3.007 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.816 -0.556 -3.964 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.622 -1.944 -4.734 1.00 0.00 H new ATOM 1227 N MET A 81 0.664 -4.197 -8.929 1.00 0.00 N ATOM 1228 CA MET A 81 0.300 -5.399 -9.688 1.00 0.00 C ATOM 1229 C MET A 81 1.415 -5.816 -10.656 1.00 0.00 C ATOM 1230 O MET A 81 1.738 -6.999 -10.771 1.00 0.00 O ATOM 1231 CB MET A 81 -0.980 -5.155 -10.495 1.00 0.00 C ATOM 1232 CG MET A 81 -2.191 -5.162 -9.560 1.00 0.00 C ATOM 1233 SD MET A 81 -2.752 -6.865 -9.309 1.00 0.00 S ATOM 1234 CE MET A 81 -2.504 -6.927 -7.517 1.00 0.00 C ATOM 0 H MET A 81 0.262 -3.331 -9.286 1.00 0.00 H new ATOM 0 HA MET A 81 0.142 -6.198 -8.964 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.916 -4.199 -11.015 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.093 -5.926 -11.257 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.928 -4.710 -8.604 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.995 -4.562 -9.985 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.793 -7.909 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.454 -6.747 -7.289 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.116 -6.162 -7.038 1.00 0.00 H new ATOM 1244 N VAL A 82 1.977 -4.834 -11.369 1.00 0.00 N ATOM 1245 CA VAL A 82 3.033 -5.111 -12.356 1.00 0.00 C ATOM 1246 C VAL A 82 4.401 -5.367 -11.707 1.00 0.00 C ATOM 1247 O VAL A 82 5.195 -6.144 -12.235 1.00 0.00 O ATOM 1248 CB VAL A 82 3.163 -3.957 -13.361 1.00 0.00 C ATOM 1249 CG1 VAL A 82 1.943 -3.943 -14.282 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.249 -2.618 -12.623 1.00 0.00 C ATOM 0 H VAL A 82 1.724 -3.850 -11.285 1.00 0.00 H new ATOM 0 HA VAL A 82 2.729 -6.021 -12.873 1.00 0.00 H new ATOM 0 HB VAL A 82 4.070 -4.102 -13.947 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.035 -3.124 -14.995 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.883 -4.889 -14.821 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.040 -3.806 -13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.341 -1.809 -13.347 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.347 -2.472 -12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.120 -2.619 -11.968 1.00 0.00 H new ATOM 1260 N ARG A 83 4.678 -4.714 -10.567 1.00 0.00 N ATOM 1261 CA ARG A 83 5.970 -4.897 -9.880 1.00 0.00 C ATOM 1262 C ARG A 83 6.224 -6.373 -9.541 1.00 0.00 C ATOM 1263 O ARG A 83 7.371 -6.787 -9.366 1.00 0.00 O ATOM 1264 CB ARG A 83 6.049 -4.064 -8.588 1.00 0.00 C ATOM 1265 CG ARG A 83 4.828 -4.325 -7.694 1.00 0.00 C ATOM 1266 CD ARG A 83 5.131 -5.434 -6.681 1.00 0.00 C ATOM 1267 NE ARG A 83 6.340 -5.136 -5.907 1.00 0.00 N ATOM 1268 CZ ARG A 83 7.052 -6.105 -5.311 1.00 0.00 C ATOM 1269 NH1 ARG A 83 6.687 -7.363 -5.402 1.00 0.00 N ATOM 1270 NH2 ARG A 83 8.120 -5.790 -4.627 1.00 0.00 N ATOM 0 H ARG A 83 4.039 -4.066 -10.107 1.00 0.00 H new ATOM 0 HA ARG A 83 6.738 -4.552 -10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.962 -4.312 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.103 -3.004 -8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.552 -3.410 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.974 -4.609 -8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.284 -5.552 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.256 -6.382 -7.204 1.00 0.00 H new ATOM 0 HE ARG A 83 6.648 -4.168 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.852 -7.615 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.238 -8.088 -4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.406 -4.814 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.667 -6.520 -4.171 1.00 0.00 H new ATOM 1284 N CYS A 84 5.145 -7.161 -9.461 1.00 0.00 N ATOM 1285 CA CYS A 84 5.266 -8.589 -9.153 1.00 0.00 C ATOM 1286 C CYS A 84 5.951 -9.358 -10.296 1.00 0.00 C ATOM 1287 O CYS A 84 6.413 -10.483 -10.098 1.00 0.00 O ATOM 1288 CB CYS A 84 3.882 -9.201 -8.908 1.00 0.00 C ATOM 1289 SG CYS A 84 3.237 -8.623 -7.317 1.00 0.00 S ATOM 0 H CYS A 84 4.188 -6.837 -9.604 1.00 0.00 H new ATOM 0 HA CYS A 84 5.878 -8.674 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.201 -8.920 -9.712 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.948 -10.289 -8.912 1.00 0.00 H new ATOM 0 HG CYS A 84 2.781 -7.412 -7.447 1.00 0.00 H new ATOM 1295 N MET A 85 6.014 -8.746 -11.490 1.00 0.00 N ATOM 1296 CA MET A 85 6.645 -9.392 -12.644 1.00 0.00 C ATOM 1297 C MET A 85 8.136 -9.612 -12.390 1.00 0.00 C ATOM 1298 O MET A 85 8.622 -10.744 -12.427 1.00 0.00 O ATOM 1299 CB MET A 85 6.471 -8.532 -13.904 1.00 0.00 C ATOM 1300 CG MET A 85 6.084 -9.425 -15.081 1.00 0.00 C ATOM 1301 SD MET A 85 6.889 -8.822 -16.586 1.00 0.00 S ATOM 1302 CE MET A 85 6.092 -9.965 -17.741 1.00 0.00 C ATOM 0 H MET A 85 5.639 -7.816 -11.677 1.00 0.00 H new ATOM 0 HA MET A 85 6.159 -10.356 -12.794 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.702 -7.777 -13.739 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.397 -8.001 -14.126 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.382 -10.455 -14.884 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.002 -9.426 -15.210 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.449 -9.768 -18.752 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.335 -10.991 -17.463 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.012 -9.825 -17.704 1.00 0.00 H new ATOM 1312 N LYS A 86 8.854 -8.516 -12.130 1.00 0.00 N ATOM 1313 CA LYS A 86 10.290 -8.594 -11.866 1.00 0.00 C ATOM 1314 C LYS A 86 10.655 -7.744 -10.651 1.00 0.00 C ATOM 1315 O LYS A 86 10.071 -6.683 -10.420 1.00 0.00 O ATOM 1316 CB LYS A 86 11.090 -8.103 -13.078 1.00 0.00 C ATOM 1317 CG LYS A 86 11.270 -9.251 -14.077 1.00 0.00 C ATOM 1318 CD LYS A 86 12.337 -10.223 -13.561 1.00 0.00 C ATOM 1319 CE LYS A 86 12.689 -11.231 -14.659 1.00 0.00 C ATOM 1320 NZ LYS A 86 11.744 -12.384 -14.605 1.00 0.00 N ATOM 0 H LYS A 86 8.467 -7.573 -12.097 1.00 0.00 H new ATOM 0 HA LYS A 86 10.538 -9.637 -11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.572 -7.271 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.063 -7.731 -12.757 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.325 -9.775 -14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.564 -8.857 -15.050 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.228 -9.673 -13.259 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.970 -10.746 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.637 -10.751 -15.636 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.713 -11.581 -14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.986 -13.066 -15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.814 -12.847 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.772 -12.043 -14.749 1.00 0.00 H new ATOM 1334 N ASP A 87 11.625 -8.228 -9.876 1.00 0.00 N ATOM 1335 CA ASP A 87 12.066 -7.513 -8.680 1.00 0.00 C ATOM 1336 C ASP A 87 13.547 -7.159 -8.786 1.00 0.00 C ATOM 1337 O ASP A 87 14.417 -8.031 -8.729 1.00 0.00 O ATOM 1338 CB ASP A 87 11.835 -8.369 -7.430 1.00 0.00 C ATOM 1339 CG ASP A 87 10.384 -8.226 -6.975 1.00 0.00 C ATOM 1340 OD1 ASP A 87 9.524 -8.825 -7.600 1.00 0.00 O ATOM 1341 OD2 ASP A 87 10.156 -7.518 -6.008 1.00 0.00 O ATOM 0 H ASP A 87 12.116 -9.104 -10.053 1.00 0.00 H new ATOM 0 HA ASP A 87 11.484 -6.595 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.058 -9.414 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.510 -8.057 -6.633 1.00 0.00 H new ATOM 1346 N ASP A 88 13.821 -5.862 -8.945 1.00 0.00 N ATOM 1347 CA ASP A 88 15.199 -5.382 -9.064 1.00 0.00 C ATOM 1348 C ASP A 88 15.619 -4.660 -7.780 1.00 0.00 C ATOM 1349 O ASP A 88 16.059 -3.508 -7.807 1.00 0.00 O ATOM 1350 CB ASP A 88 15.331 -4.427 -10.259 1.00 0.00 C ATOM 1351 CG ASP A 88 15.086 -5.190 -11.559 1.00 0.00 C ATOM 1352 OD1 ASP A 88 13.934 -5.315 -11.944 1.00 0.00 O ATOM 1353 OD2 ASP A 88 16.054 -5.639 -12.151 1.00 0.00 O ATOM 0 H ASP A 88 13.112 -5.130 -8.994 1.00 0.00 H new ATOM 0 HA ASP A 88 15.851 -6.241 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.615 -3.611 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.325 -3.979 -10.271 1.00 0.00 H new ATOM 1358 N SER A 89 15.474 -5.358 -6.649 1.00 0.00 N ATOM 1359 CA SER A 89 15.834 -4.786 -5.352 1.00 0.00 C ATOM 1360 C SER A 89 17.040 -5.521 -4.759 1.00 0.00 C ATOM 1361 O SER A 89 18.071 -4.890 -4.601 1.00 0.00 O ATOM 1362 CB SER A 89 14.649 -4.873 -4.383 1.00 0.00 C ATOM 1363 OG SER A 89 14.617 -3.703 -3.575 1.00 0.00 O ATOM 1364 OXT SER A 89 16.919 -6.703 -4.477 1.00 0.00 O ATOM 0 H SER A 89 15.113 -6.311 -6.607 1.00 0.00 H new ATOM 0 HA SER A 89 16.096 -3.738 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.716 -4.971 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.741 -5.760 -3.756 1.00 0.00 H new ATOM 0 HG SER A 89 13.860 -3.754 -2.955 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 5.003 8.400 -2.667 1.00 0.00 CA