USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 683 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 GLN : amide:sc= -4.77! K(o=-5.1!,f=-2.8) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.356 K(o=-5.1,f=-2.8) USER MOD Set 1.3: A 49 GLN : amide:sc= 0.0712 K(o=-5.1,f=-2.8!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 14 HIS : no HE2:sc= -5.69! C(o=-5.7!,f=-8.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc=-0.00631 K(o=-0.0063,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.38) USER MOD Single : A 29 SER OG : rot 99:sc= 1.24 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.321 K(o=-0.32,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc=-0.00104 (180deg=-0.124) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0899 (180deg=-0.486) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.103 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 179:sc= -0.562 (180deg=-0.569) USER MOD Single : A 66 THR OG1 : rot -130:sc= -0.952 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 77 CYS SG : rot -150:sc= 0.277 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -152:sc= -0.201 (180deg=-1.25!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.050 6.271 27.092 1.00 0.00 N ATOM 2 CA GLY A 1 13.041 7.332 27.108 1.00 0.00 C ATOM 3 C GLY A 1 12.663 8.491 26.207 1.00 0.00 C ATOM 4 O GLY A 1 11.508 8.914 26.180 1.00 0.00 O ATOM 0 H1 GLY A 1 12.354 5.502 27.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.136 6.645 27.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.949 5.905 26.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.165 7.694 28.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.004 6.930 26.794 1.00 0.00 H new ATOM 8 N SER A 2 13.640 9.007 25.469 1.00 0.00 N ATOM 9 CA SER A 2 13.406 10.129 24.567 1.00 0.00 C ATOM 10 C SER A 2 13.366 9.659 23.115 1.00 0.00 C ATOM 11 O SER A 2 14.378 9.680 22.416 1.00 0.00 O ATOM 12 CB SER A 2 14.496 11.188 24.742 1.00 0.00 C ATOM 13 OG SER A 2 14.597 11.597 26.095 1.00 0.00 O ATOM 0 H SER A 2 14.601 8.666 25.478 1.00 0.00 H new ATOM 0 HA SER A 2 12.440 10.568 24.816 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.453 10.788 24.407 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.274 12.051 24.114 1.00 0.00 H new ATOM 0 HG SER A 2 15.302 12.273 26.181 1.00 0.00 H new ATOM 19 N SER A 3 12.187 9.236 22.670 1.00 0.00 N ATOM 20 CA SER A 3 12.014 8.758 21.303 1.00 0.00 C ATOM 21 C SER A 3 11.068 9.667 20.525 1.00 0.00 C ATOM 22 O SER A 3 9.960 9.959 20.973 1.00 0.00 O ATOM 23 CB SER A 3 11.475 7.326 21.306 1.00 0.00 C ATOM 24 OG SER A 3 11.264 6.857 19.985 1.00 0.00 O ATOM 0 H SER A 3 11.338 9.215 23.235 1.00 0.00 H new ATOM 0 HA SER A 3 12.988 8.772 20.814 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.178 6.671 21.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.539 7.288 21.863 1.00 0.00 H new ATOM 0 HG SER A 3 10.921 5.939 20.014 1.00 0.00 H new ATOM 30 N GLY A 4 11.514 10.113 19.354 1.00 0.00 N ATOM 31 CA GLY A 4 10.697 10.985 18.532 1.00 0.00 C ATOM 32 C GLY A 4 10.753 10.617 17.062 1.00 0.00 C ATOM 33 O GLY A 4 11.140 11.432 16.225 1.00 0.00 O ATOM 0 H GLY A 4 12.427 9.885 18.961 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.664 10.940 18.876 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.030 12.015 18.658 1.00 0.00 H new ATOM 37 N SER A 5 10.369 9.384 16.747 1.00 0.00 N ATOM 38 CA SER A 5 10.383 8.907 15.369 1.00 0.00 C ATOM 39 C SER A 5 9.332 9.632 14.533 1.00 0.00 C ATOM 40 O SER A 5 8.208 9.853 14.984 1.00 0.00 O ATOM 41 CB SER A 5 10.133 7.399 15.327 1.00 0.00 C ATOM 42 OG SER A 5 8.756 7.105 15.488 1.00 0.00 O ATOM 0 H SER A 5 10.044 8.697 17.428 1.00 0.00 H new ATOM 0 HA SER A 5 11.366 9.117 14.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.486 6.995 14.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.707 6.910 16.114 1.00 0.00 H new ATOM 0 HG SER A 5 8.623 6.135 15.456 1.00 0.00 H new ATOM 48 N SER A 6 9.707 9.999 13.312 1.00 0.00 N ATOM 49 CA SER A 6 8.799 10.702 12.413 1.00 0.00 C ATOM 50 C SER A 6 7.698 9.771 11.916 1.00 0.00 C ATOM 51 O SER A 6 7.926 8.582 11.695 1.00 0.00 O ATOM 52 CB SER A 6 9.571 11.278 11.223 1.00 0.00 C ATOM 53 OG SER A 6 10.341 10.276 10.581 1.00 0.00 O ATOM 0 H SER A 6 10.633 9.821 12.923 1.00 0.00 H new ATOM 0 HA SER A 6 8.337 11.519 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.873 11.717 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.225 12.081 11.564 1.00 0.00 H new ATOM 0 HG SER A 6 10.823 10.669 9.824 1.00 0.00 H new ATOM 59 N GLY A 7 6.500 10.321 11.742 1.00 0.00 N ATOM 60 CA GLY A 7 5.379 9.527 11.273 1.00 0.00 C ATOM 61 C GLY A 7 4.060 10.267 11.376 1.00 0.00 C ATOM 62 O GLY A 7 4.008 11.390 11.880 1.00 0.00 O ATOM 0 H GLY A 7 6.286 11.303 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.550 9.239 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.322 8.606 11.854 1.00 0.00 H new ATOM 66 N LEU A 8 2.992 9.639 10.898 1.00 0.00 N ATOM 67 CA LEU A 8 1.666 10.246 10.937 1.00 0.00 C ATOM 68 C LEU A 8 0.658 9.310 11.596 1.00 0.00 C ATOM 69 O LEU A 8 0.836 8.091 11.600 1.00 0.00 O ATOM 70 CB LEU A 8 1.203 10.598 9.522 1.00 0.00 C ATOM 71 CG LEU A 8 1.111 9.433 8.536 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.018 9.687 7.509 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.450 9.208 7.849 1.00 0.00 C ATOM 0 H LEU A 8 3.018 8.710 10.479 1.00 0.00 H new ATOM 0 HA LEU A 8 1.728 11.159 11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.222 11.069 9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.887 11.341 9.112 1.00 0.00 H new ATOM 0 HG LEU A 8 0.855 8.531 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.032 8.847 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.940 9.796 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.242 10.600 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.365 8.375 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.736 10.109 7.306 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.209 8.979 8.597 1.00 0.00 H new ATOM 85 N THR A 9 -0.402 9.887 12.152 1.00 0.00 N ATOM 86 CA THR A 9 -1.440 9.106 12.813 1.00 0.00 C ATOM 87 C THR A 9 -2.672 8.966 11.926 1.00 0.00 C ATOM 88 O THR A 9 -3.465 9.898 11.798 1.00 0.00 O ATOM 89 CB THR A 9 -1.854 9.742 14.153 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.733 9.785 15.043 1.00 0.00 O ATOM 91 CG2 THR A 9 -2.989 8.959 14.796 1.00 0.00 C ATOM 0 H THR A 9 -0.565 10.894 12.158 1.00 0.00 H new ATOM 0 HA THR A 9 -1.020 8.118 13.003 1.00 0.00 H new ATOM 0 HB THR A 9 -2.200 10.757 13.956 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.005 10.192 15.892 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.264 9.427 15.741 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.851 8.954 14.129 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.666 7.934 14.979 1.00 0.00 H new ATOM 99 N VAL A 10 -2.827 7.795 11.316 1.00 0.00 N ATOM 100 CA VAL A 10 -3.965 7.533 10.443 1.00 0.00 C ATOM 101 C VAL A 10 -4.711 6.276 10.875 1.00 0.00 C ATOM 102 O VAL A 10 -4.099 5.273 11.246 1.00 0.00 O ATOM 103 CB VAL A 10 -3.521 7.375 8.976 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.251 6.544 8.888 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.635 6.752 8.148 1.00 0.00 C ATOM 0 H VAL A 10 -2.179 7.013 11.410 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.631 8.392 10.523 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.307 8.364 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.953 6.444 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.455 7.036 9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.433 5.556 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.305 6.647 7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.882 5.770 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.517 7.392 8.184 1.00 0.00 H new ATOM 115 N THR A 11 -6.038 6.334 10.824 1.00 0.00 N ATOM 116 CA THR A 11 -6.869 5.201 11.210 1.00 0.00 C ATOM 117 C THR A 11 -7.151 4.294 10.018 1.00 0.00 C ATOM 118 O THR A 11 -7.506 4.765 8.937 1.00 0.00 O ATOM 119 CB THR A 11 -8.207 5.666 11.815 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.968 6.436 12.999 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.092 4.475 12.150 1.00 0.00 C ATOM 0 H THR A 11 -6.561 7.155 10.519 1.00 0.00 H new ATOM 0 HA THR A 11 -6.312 4.643 11.963 1.00 0.00 H new ATOM 0 HB THR A 11 -8.719 6.284 11.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.823 6.729 13.377 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.031 4.828 12.576 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.296 3.907 11.243 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.584 3.836 12.872 1.00 0.00 H new ATOM 129 N VAL A 12 -6.991 2.990 10.221 1.00 0.00 N ATOM 130 CA VAL A 12 -7.230 2.017 9.162 1.00 0.00 C ATOM 131 C VAL A 12 -8.489 1.203 9.439 1.00 0.00 C ATOM 132 O VAL A 12 -8.593 0.526 10.463 1.00 0.00 O ATOM 133 CB VAL A 12 -6.036 1.057 9.002 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.412 -0.118 8.113 1.00 0.00 C ATOM 135 CG2 VAL A 12 -4.831 1.796 8.441 1.00 0.00 C ATOM 0 H VAL A 12 -6.697 2.583 11.109 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.360 2.580 8.238 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.770 0.668 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.556 -0.786 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.245 -0.661 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.705 0.249 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.996 1.103 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.082 2.214 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.550 2.601 9.120 1.00 0.00 H new ATOM 145 N THR A 13 -9.446 1.271 8.518 1.00 0.00 N ATOM 146 CA THR A 13 -10.699 0.541 8.663 1.00 0.00 C ATOM 147 C THR A 13 -10.554 -0.900 8.189 1.00 0.00 C ATOM 148 O THR A 13 -10.555 -1.173 6.988 1.00 0.00 O ATOM 149 CB THR A 13 -11.837 1.217 7.874 1.00 0.00 C ATOM 150 OG1 THR A 13 -11.698 2.641 7.935 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.194 0.810 8.427 1.00 0.00 C ATOM 0 H THR A 13 -9.377 1.824 7.664 1.00 0.00 H new ATOM 0 HA THR A 13 -10.948 0.548 9.724 1.00 0.00 H new ATOM 0 HB THR A 13 -11.773 0.891 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.961 2.923 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.982 1.299 7.854 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.308 -0.271 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.266 1.110 9.473 1.00 0.00 H new ATOM 159 N HIS A 14 -10.428 -1.821 9.140 1.00 0.00 N ATOM 160 CA HIS A 14 -10.283 -3.236 8.819 1.00 0.00 C ATOM 161 C HIS A 14 -11.205 -4.088 9.687 1.00 0.00 C ATOM 162 O HIS A 14 -11.241 -3.933 10.907 1.00 0.00 O ATOM 163 CB HIS A 14 -8.832 -3.678 9.009 1.00 0.00 C ATOM 164 CG HIS A 14 -8.544 -5.042 8.463 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.501 -6.174 9.250 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.286 -5.454 7.200 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.227 -7.222 8.494 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.092 -6.813 7.246 1.00 0.00 N ATOM 0 H HIS A 14 -10.423 -1.612 10.138 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.564 -3.377 7.775 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.175 -2.956 8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.593 -3.664 10.072 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.656 -6.198 10.258 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.241 -4.830 6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.130 -8.241 8.839 1.00 0.00 H new ATOM 177 N SER A 15 -11.948 -4.986 9.049 1.00 0.00 N ATOM 178 CA SER A 15 -12.873 -5.859 9.762 1.00 0.00 C ATOM 179 C SER A 15 -14.011 -5.054 10.381 1.00 0.00 C ATOM 180 O SER A 15 -14.460 -5.344 11.489 1.00 0.00 O ATOM 181 CB SER A 15 -12.134 -6.639 10.851 1.00 0.00 C ATOM 182 OG SER A 15 -12.763 -7.884 11.103 1.00 0.00 O ATOM 0 H SER A 15 -11.928 -5.128 8.039 1.00 0.00 H new ATOM 0 HA SER A 15 -13.296 -6.562 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.101 -6.805 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.105 -6.051 11.768 1.00 0.00 H new ATOM 0 HG SER A 15 -12.271 -8.364 11.802 1.00 0.00 H new ATOM 188 N ASN A 16 -14.473 -4.040 9.657 1.00 0.00 N ATOM 189 CA ASN A 16 -15.559 -3.191 10.134 1.00 0.00 C ATOM 190 C ASN A 16 -15.175 -2.500 11.439 1.00 0.00 C ATOM 191 O ASN A 16 -16.037 -2.153 12.245 1.00 0.00 O ATOM 192 CB ASN A 16 -16.829 -4.019 10.337 1.00 0.00 C ATOM 193 CG ASN A 16 -17.403 -4.527 9.028 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.034 -4.058 7.952 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.311 -5.492 9.116 1.00 0.00 N ATOM 0 H ASN A 16 -14.112 -3.786 8.737 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.748 -2.427 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.607 -4.866 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.577 -3.413 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.732 -5.874 8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.587 -5.851 10.030 1.00 0.00 H new ATOM 202 N GLU A 17 -13.876 -2.302 11.638 1.00 0.00 N ATOM 203 CA GLU A 17 -13.378 -1.652 12.845 1.00 0.00 C ATOM 204 C GLU A 17 -12.270 -0.658 12.510 1.00 0.00 C ATOM 205 O GLU A 17 -11.742 -0.650 11.398 1.00 0.00 O ATOM 206 CB GLU A 17 -12.860 -2.696 13.837 1.00 0.00 C ATOM 207 CG GLU A 17 -13.931 -3.660 14.320 1.00 0.00 C ATOM 208 CD GLU A 17 -13.488 -4.467 15.525 1.00 0.00 C ATOM 209 OE1 GLU A 17 -13.397 -3.888 16.627 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.232 -5.679 15.364 1.00 0.00 O ATOM 0 H GLU A 17 -13.149 -2.582 10.979 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.205 -1.107 13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.057 -3.264 13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.428 -2.185 14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.831 -3.100 14.573 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.196 -4.339 13.510 1.00 0.00 H new ATOM 217 N LYS A 18 -11.922 0.180 13.481 1.00 0.00 N ATOM 218 CA LYS A 18 -10.876 1.178 13.292 1.00 0.00 C ATOM 219 C LYS A 18 -9.650 0.847 14.136 1.00 0.00 C ATOM 220 O LYS A 18 -9.764 0.550 15.326 1.00 0.00 O ATOM 221 CB LYS A 18 -11.399 2.569 13.657 1.00 0.00 C ATOM 222 CG LYS A 18 -11.999 3.321 12.481 1.00 0.00 C ATOM 223 CD LYS A 18 -13.354 2.756 12.090 1.00 0.00 C ATOM 224 CE LYS A 18 -14.426 3.128 13.103 1.00 0.00 C ATOM 225 NZ LYS A 18 -15.736 2.498 12.781 1.00 0.00 N ATOM 0 H LYS A 18 -12.349 0.188 14.407 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.585 1.170 12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.153 2.471 14.438 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.582 3.157 14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.104 4.375 12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.321 3.266 11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.636 3.131 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.288 1.671 12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.109 2.817 14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.541 4.212 13.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.440 2.776 13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.052 2.814 11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.633 1.463 12.781 1.00 0.00 H new ATOM 239 N HIS A 19 -8.476 0.903 13.514 1.00 0.00 N ATOM 240 CA HIS A 19 -7.228 0.611 14.209 1.00 0.00 C ATOM 241 C HIS A 19 -6.234 1.758 14.046 1.00 0.00 C ATOM 242 O HIS A 19 -5.661 1.948 12.973 1.00 0.00 O ATOM 243 CB HIS A 19 -6.617 -0.687 13.681 1.00 0.00 C ATOM 244 CG HIS A 19 -7.456 -1.898 13.952 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.472 -2.546 15.169 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.314 -2.577 13.155 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.301 -3.572 15.108 1.00 0.00 C ATOM 248 NE2 HIS A 19 -8.826 -3.613 13.897 1.00 0.00 N ATOM 0 H HIS A 19 -8.364 1.148 12.530 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.451 0.494 15.270 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.463 -0.595 12.606 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.635 -0.827 14.133 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.552 -2.347 12.127 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.514 -4.261 15.912 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.502 -4.302 13.567 1.00 0.00 H new ATOM 257 N ASP A 20 -6.036 2.519 15.117 1.00 0.00 N ATOM 258 CA ASP A 20 -5.112 3.647 15.093 1.00 0.00 C ATOM 259 C ASP A 20 -3.672 3.166 14.939 1.00 0.00 C ATOM 260 O ASP A 20 -3.143 2.471 15.807 1.00 0.00 O ATOM 261 CB ASP A 20 -5.253 4.476 16.370 1.00 0.00 C ATOM 262 CG ASP A 20 -6.695 4.614 16.815 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.592 4.543 15.949 1.00 0.00 O ATOM 264 OD2 ASP A 20 -6.928 4.793 18.029 1.00 0.00 O ATOM 0 H ASP A 20 -6.503 2.375 16.012 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.361 4.272 14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.673 4.011 17.167 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.831 5.467 16.205 1.00 0.00 H new ATOM 269 N LEU A 21 -3.044 3.540 13.830 1.00 0.00 N ATOM 270 CA LEU A 21 -1.665 3.146 13.562 1.00 0.00 C ATOM 271 C LEU A 21 -0.792 4.369 13.299 1.00 0.00 C ATOM 272 O LEU A 21 -1.255 5.371 12.754 1.00 0.00 O ATOM 273 CB LEU A 21 -1.609 2.198 12.363 1.00 0.00 C ATOM 274 CG LEU A 21 -2.582 1.019 12.393 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.491 0.218 11.104 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.306 0.130 13.597 1.00 0.00 C ATOM 0 H LEU A 21 -3.467 4.115 13.102 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.282 2.631 14.443 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.798 2.777 11.459 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.596 1.805 12.283 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.595 1.411 12.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.191 -0.617 11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.740 0.860 10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.477 -0.164 10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.008 -0.704 13.602 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.287 -0.254 13.540 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.425 0.710 14.512 1.00 0.00 H new ATOM 288 N HIS A 22 0.476 4.278 13.688 1.00 0.00 N ATOM 289 CA HIS A 22 1.416 5.376 13.492 1.00 0.00 C ATOM 290 C HIS A 22 2.360 5.082 12.330 1.00 0.00 C ATOM 291 O HIS A 22 3.348 4.364 12.485 1.00 0.00 O ATOM 292 CB HIS A 22 2.221 5.620 14.769 1.00 0.00 C ATOM 293 CG HIS A 22 3.296 6.652 14.611 1.00 0.00 C ATOM 294 ND1 HIS A 22 4.435 6.677 15.388 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.401 7.697 13.759 1.00 0.00 C ATOM 296 CE1 HIS A 22 5.193 7.694 15.022 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.589 8.329 14.034 1.00 0.00 N ATOM 0 H HIS A 22 0.876 3.456 14.140 1.00 0.00 H new ATOM 0 HA HIS A 22 0.844 6.273 13.255 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.542 5.933 15.563 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.674 4.681 15.088 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.657 6.013 16.130 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.684 7.982 13.003 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.145 7.961 15.457 1.00 0.00 H new ATOM 306 N VAL A 23 2.049 5.642 11.165 1.00 0.00 N ATOM 307 CA VAL A 23 2.869 5.440 9.977 1.00 0.00 C ATOM 308 C VAL A 23 4.201 6.171 10.097 1.00 0.00 C ATOM 309 O VAL A 23 4.241 7.373 10.366 1.00 0.00 O ATOM 310 CB VAL A 23 2.144 5.922 8.706 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.918 5.513 7.462 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.724 5.379 8.664 1.00 0.00 C ATOM 0 H VAL A 23 1.235 6.239 11.019 1.00 0.00 H new ATOM 0 HA VAL A 23 3.052 4.368 9.898 1.00 0.00 H new ATOM 0 HB VAL A 23 2.091 7.010 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.391 5.862 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.913 5.956 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.005 4.427 7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.227 5.730 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.751 4.289 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.175 5.728 9.538 1.00 0.00 H new ATOM 322 N THR A 24 5.292 5.439 9.896 1.00 0.00 N ATOM 323 CA THR A 24 6.627 6.018 9.983 1.00 0.00 C ATOM 324 C THR A 24 7.434 5.732 8.722 1.00 0.00 C ATOM 325 O THR A 24 7.330 4.652 8.139 1.00 0.00 O ATOM 326 CB THR A 24 7.396 5.476 11.204 1.00 0.00 C ATOM 327 OG1 THR A 24 7.371 4.045 11.203 1.00 0.00 O ATOM 328 CG2 THR A 24 6.791 5.998 12.499 1.00 0.00 C ATOM 0 H THR A 24 5.277 4.444 9.672 1.00 0.00 H new ATOM 0 HA THR A 24 6.498 7.095 10.092 1.00 0.00 H new ATOM 0 HB THR A 24 8.428 5.821 11.138 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.863 3.709 11.981 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.350 5.602 13.347 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.838 7.087 12.510 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.751 5.679 12.569 1.00 0.00 H new ATOM 336 N SER A 25 8.237 6.705 8.305 1.00 0.00 N ATOM 337 CA SER A 25 9.059 6.558 7.110 1.00 0.00 C ATOM 338 C SER A 25 9.866 5.264 7.161 1.00 0.00 C ATOM 339 O SER A 25 9.780 4.505 8.126 1.00 0.00 O ATOM 340 CB SER A 25 10.002 7.754 6.964 1.00 0.00 C ATOM 341 OG SER A 25 10.612 8.077 8.202 1.00 0.00 O ATOM 0 H SER A 25 8.336 7.604 8.777 1.00 0.00 H new ATOM 0 HA SER A 25 8.396 6.519 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.770 7.527 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.447 8.616 6.593 1.00 0.00 H new ATOM 0 HG SER A 25 11.211 8.843 8.082 1.00 0.00 H new ATOM 347 N GLN A 26 10.647 5.020 6.114 1.00 0.00 N ATOM 348 CA GLN A 26 11.469 3.818 6.038 1.00 0.00 C ATOM 349 C GLN A 26 12.904 4.111 6.461 1.00 0.00 C ATOM 350 O GLN A 26 13.851 3.566 5.895 1.00 0.00 O ATOM 351 CB GLN A 26 11.449 3.249 4.618 1.00 0.00 C ATOM 352 CG GLN A 26 10.078 2.762 4.177 1.00 0.00 C ATOM 353 CD GLN A 26 9.825 1.315 4.550 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.055 0.407 3.751 1.00 0.00 O ATOM 355 NE2 GLN A 26 9.348 1.093 5.769 1.00 0.00 N ATOM 0 H GLN A 26 10.728 5.638 5.307 1.00 0.00 H new ATOM 0 HA GLN A 26 11.052 3.080 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.794 4.015 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.156 2.422 4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.311 3.390 4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.986 2.876 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.172 1.876 6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.157 0.139 6.076 1.00 0.00 H new ATOM 364 N GLN A 27 13.057 4.976 7.459 1.00 0.00 N ATOM 365 CA GLN A 27 14.378 5.342 7.956 1.00 0.00 C ATOM 366 C GLN A 27 15.293 5.764 6.811 1.00 0.00 C ATOM 367 O GLN A 27 16.450 5.351 6.744 1.00 0.00 O ATOM 368 CB GLN A 27 15.001 4.172 8.719 1.00 0.00 C ATOM 369 CG GLN A 27 14.231 3.781 9.970 1.00 0.00 C ATOM 370 CD GLN A 27 14.378 2.312 10.311 1.00 0.00 C ATOM 371 OE1 GLN A 27 14.245 1.446 9.446 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.656 2.022 11.577 1.00 0.00 N ATOM 0 H GLN A 27 12.283 5.436 7.939 1.00 0.00 H new ATOM 0 HA GLN A 27 14.262 6.188 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 27 15.063 3.309 8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 27 16.022 4.434 8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.581 4.382 10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.175 4.013 9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.758 2.771 12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.768 1.050 11.865 1.00 0.00 H new ATOM 381 N GLY A 28 14.766 6.590 5.912 1.00 0.00 N ATOM 382 CA GLY A 28 15.549 7.053 4.782 1.00 0.00 C ATOM 383 C GLY A 28 14.908 8.232 4.077 1.00 0.00 C ATOM 384 O GLY A 28 15.569 9.233 3.799 1.00 0.00 O ATOM 0 H GLY A 28 13.811 6.946 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.544 7.336 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.677 6.235 4.073 1.00 0.00 H new ATOM 388 N SER A 29 13.617 8.114 3.785 1.00 0.00 N ATOM 389 CA SER A 29 12.887 9.177 3.102 1.00 0.00 C ATOM 390 C SER A 29 12.512 10.290 4.076 1.00 0.00 C ATOM 391 O SER A 29 12.074 10.029 5.196 1.00 0.00 O ATOM 392 CB SER A 29 11.627 8.616 2.441 1.00 0.00 C ATOM 393 OG SER A 29 10.757 8.045 3.403 1.00 0.00 O ATOM 0 H SER A 29 13.054 7.294 4.010 1.00 0.00 H new ATOM 0 HA SER A 29 13.537 9.594 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.109 9.411 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.904 7.862 1.704 1.00 0.00 H new ATOM 0 HG SER A 29 10.051 8.686 3.627 1.00 0.00 H new ATOM 399 N SER A 30 12.689 11.533 3.640 1.00 0.00 N ATOM 400 CA SER A 30 12.373 12.688 4.473 1.00 0.00 C ATOM 401 C SER A 30 10.904 12.676 4.883 1.00 0.00 C ATOM 402 O SER A 30 10.506 13.363 5.823 1.00 0.00 O ATOM 403 CB SER A 30 12.696 13.985 3.728 1.00 0.00 C ATOM 404 OG SER A 30 11.781 14.206 2.670 1.00 0.00 O ATOM 0 H SER A 30 13.049 11.766 2.715 1.00 0.00 H new ATOM 0 HA SER A 30 12.984 12.633 5.374 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.664 14.825 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.710 13.938 3.332 1.00 0.00 H new ATOM 0 HG SER A 30 12.008 15.042 2.211 1.00 0.00 H new ATOM 410 N GLU A 31 10.103 11.890 4.170 1.00 0.00 N ATOM 411 CA GLU A 31 8.677 11.790 4.459 1.00 0.00 C ATOM 412 C GLU A 31 8.171 10.371 4.213 1.00 0.00 C ATOM 413 O GLU A 31 8.623 9.673 3.306 1.00 0.00 O ATOM 414 CB GLU A 31 7.889 12.780 3.600 1.00 0.00 C ATOM 415 CG GLU A 31 8.062 12.563 2.106 1.00 0.00 C ATOM 416 CD GLU A 31 7.028 13.307 1.285 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.837 13.274 1.660 1.00 0.00 O ATOM 418 OE2 GLU A 31 7.408 13.923 0.267 1.00 0.00 O ATOM 0 H GLU A 31 10.417 11.314 3.389 1.00 0.00 H new ATOM 0 HA GLU A 31 8.527 12.034 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.831 12.702 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.202 13.794 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.059 12.888 1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.996 11.497 1.887 1.00 0.00 H new ATOM 425 N PRO A 32 7.210 9.935 5.041 1.00 0.00 N ATOM 426 CA PRO A 32 6.621 8.596 4.934 1.00 0.00 C ATOM 427 C PRO A 32 5.755 8.442 3.688 1.00 0.00 C ATOM 428 O PRO A 32 5.131 9.400 3.231 1.00 0.00 O ATOM 429 CB PRO A 32 5.765 8.483 6.198 1.00 0.00 C ATOM 430 CG PRO A 32 5.436 9.891 6.560 1.00 0.00 C ATOM 431 CD PRO A 32 6.624 10.714 6.144 1.00 0.00 C ATOM 0 HA PRO A 32 7.383 7.821 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.862 7.900 6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.308 7.984 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.532 10.224 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.251 9.986 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.328 11.711 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.330 10.843 6.964 1.00 0.00 H new ATOM 439 N VAL A 33 5.720 7.230 3.144 1.00 0.00 N ATOM 440 CA VAL A 33 4.928 6.950 1.952 1.00 0.00 C ATOM 441 C VAL A 33 3.878 5.881 2.228 1.00 0.00 C ATOM 442 O VAL A 33 3.711 5.438 3.365 1.00 0.00 O ATOM 443 CB VAL A 33 5.818 6.490 0.782 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.728 7.621 0.327 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.631 5.268 1.180 1.00 0.00 C ATOM 0 H VAL A 33 6.231 6.426 3.510 1.00 0.00 H new ATOM 0 HA VAL A 33 4.431 7.880 1.677 1.00 0.00 H new ATOM 0 HB VAL A 33 5.175 6.214 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.349 7.278 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.122 8.466 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.365 7.931 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.254 4.957 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.265 5.515 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.957 4.456 1.453 1.00 0.00 H new ATOM 455 N VAL A 34 3.171 5.468 1.181 1.00 0.00 N ATOM 456 CA VAL A 34 2.137 4.448 1.310 1.00 0.00 C ATOM 457 C VAL A 34 2.726 3.126 1.786 1.00 0.00 C ATOM 458 O VAL A 34 2.153 2.453 2.642 1.00 0.00 O ATOM 459 CB VAL A 34 1.404 4.220 -0.026 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.594 2.933 0.023 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.512 5.409 -0.353 1.00 0.00 C ATOM 0 H VAL A 34 3.296 5.824 0.233 1.00 0.00 H new ATOM 0 HA VAL A 34 1.424 4.812 2.050 1.00 0.00 H new ATOM 0 HB VAL A 34 2.147 4.124 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.083 2.788 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.260 2.091 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.142 2.997 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.002 5.232 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.226 5.539 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.121 6.310 -0.432 1.00 0.00 H new ATOM 471 N GLN A 35 3.874 2.760 1.225 1.00 0.00 N ATOM 472 CA GLN A 35 4.541 1.516 1.593 1.00 0.00 C ATOM 473 C GLN A 35 4.614 1.365 3.108 1.00 0.00 C ATOM 474 O GLN A 35 4.053 0.427 3.676 1.00 0.00 O ATOM 475 CB GLN A 35 5.949 1.472 0.996 1.00 0.00 C ATOM 476 CG GLN A 35 6.441 0.065 0.699 1.00 0.00 C ATOM 477 CD GLN A 35 5.976 -0.945 1.730 1.00 0.00 C ATOM 478 OE1 GLN A 35 5.248 -1.885 1.411 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.396 -0.756 2.976 1.00 0.00 N ATOM 0 H GLN A 35 4.361 3.306 0.515 1.00 0.00 H new ATOM 0 HA GLN A 35 3.957 0.688 1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.962 2.054 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.642 1.952 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.088 -0.239 -0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.530 0.065 0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.999 0.037 3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.116 -1.404 3.712 1.00 0.00 H new ATOM 488 N ASP A 36 5.308 2.293 3.758 1.00 0.00 N ATOM 489 CA ASP A 36 5.453 2.263 5.209 1.00 0.00 C ATOM 490 C ASP A 36 4.109 2.013 5.885 1.00 0.00 C ATOM 491 O ASP A 36 4.019 1.253 6.850 1.00 0.00 O ATOM 492 CB ASP A 36 6.053 3.578 5.710 1.00 0.00 C ATOM 493 CG ASP A 36 5.661 4.760 4.844 1.00 0.00 C ATOM 494 OD1 ASP A 36 5.984 4.745 3.638 1.00 0.00 O ATOM 495 OD2 ASP A 36 5.032 5.700 5.373 1.00 0.00 O ATOM 0 H ASP A 36 5.779 3.075 3.303 1.00 0.00 H new ATOM 0 HA ASP A 36 6.126 1.444 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.725 3.757 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.139 3.493 5.733 1.00 0.00 H new ATOM 500 N LEU A 37 3.066 2.657 5.372 1.00 0.00 N ATOM 501 CA LEU A 37 1.725 2.506 5.927 1.00 0.00 C ATOM 502 C LEU A 37 1.230 1.071 5.770 1.00 0.00 C ATOM 503 O LEU A 37 0.619 0.512 6.680 1.00 0.00 O ATOM 504 CB LEU A 37 0.756 3.470 5.240 1.00 0.00 C ATOM 505 CG LEU A 37 -0.698 3.006 5.147 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.308 2.880 6.535 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.510 3.967 4.291 1.00 0.00 C ATOM 0 H LEU A 37 3.123 3.288 4.573 1.00 0.00 H new ATOM 0 HA LEU A 37 1.769 2.742 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.780 4.420 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.120 3.662 4.231 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.717 2.024 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.343 2.549 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.741 2.153 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.277 3.848 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.542 3.621 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.484 4.962 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.086 4.007 3.287 1.00 0.00 H new ATOM 519 N ALA A 38 1.500 0.481 4.610 1.00 0.00 N ATOM 520 CA ALA A 38 1.086 -0.889 4.336 1.00 0.00 C ATOM 521 C ALA A 38 1.753 -1.867 5.297 1.00 0.00 C ATOM 522 O ALA A 38 1.131 -2.826 5.751 1.00 0.00 O ATOM 523 CB ALA A 38 1.406 -1.259 2.895 1.00 0.00 C ATOM 0 H ALA A 38 2.004 0.931 3.845 1.00 0.00 H new ATOM 0 HA ALA A 38 0.008 -0.953 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.091 -2.285 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.877 -0.586 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.479 -1.171 2.727 1.00 0.00 H new ATOM 529 N GLN A 39 3.023 -1.618 5.600 1.00 0.00 N ATOM 530 CA GLN A 39 3.774 -2.478 6.506 1.00 0.00 C ATOM 531 C GLN A 39 3.238 -2.370 7.930 1.00 0.00 C ATOM 532 O GLN A 39 3.047 -3.378 8.610 1.00 0.00 O ATOM 533 CB GLN A 39 5.259 -2.111 6.478 1.00 0.00 C ATOM 534 CG GLN A 39 6.056 -2.878 5.436 1.00 0.00 C ATOM 535 CD GLN A 39 6.430 -4.273 5.898 1.00 0.00 C ATOM 536 OE1 GLN A 39 6.183 -5.258 5.201 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.030 -4.365 7.079 1.00 0.00 N ATOM 0 H GLN A 39 3.553 -0.828 5.231 1.00 0.00 H new ATOM 0 HA GLN A 39 3.655 -3.508 6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.357 -1.043 6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.689 -2.297 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.474 -2.948 4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.963 -2.323 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.216 -3.523 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.305 -5.278 7.441 1.00 0.00 H new ATOM 546 N VAL A 40 2.998 -1.141 8.375 1.00 0.00 N ATOM 547 CA VAL A 40 2.484 -0.901 9.717 1.00 0.00 C ATOM 548 C VAL A 40 1.241 -1.741 9.988 1.00 0.00 C ATOM 549 O VAL A 40 1.002 -2.171 11.117 1.00 0.00 O ATOM 550 CB VAL A 40 2.141 0.585 9.930 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.383 0.778 11.235 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.405 1.432 9.908 1.00 0.00 C ATOM 0 H VAL A 40 3.152 -0.296 7.825 1.00 0.00 H new ATOM 0 HA VAL A 40 3.272 -1.188 10.413 1.00 0.00 H new ATOM 0 HB VAL A 40 1.498 0.911 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.150 1.834 11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.458 0.203 11.207 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.998 0.435 12.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.144 2.479 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.075 1.106 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.902 1.318 8.945 1.00 0.00 H new ATOM 562 N VAL A 41 0.451 -1.973 8.944 1.00 0.00 N ATOM 563 CA VAL A 41 -0.768 -2.764 9.068 1.00 0.00 C ATOM 564 C VAL A 41 -0.446 -4.235 9.309 1.00 0.00 C ATOM 565 O VAL A 41 -0.834 -4.805 10.328 1.00 0.00 O ATOM 566 CB VAL A 41 -1.646 -2.642 7.809 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.851 -3.565 7.907 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.085 -1.200 7.604 1.00 0.00 C ATOM 0 H VAL A 41 0.633 -1.624 8.003 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.316 -2.370 9.924 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.055 -2.945 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.460 -3.465 7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.512 -4.597 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.446 -3.296 8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.705 -1.132 6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.659 -0.868 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.207 -0.566 7.486 1.00 0.00 H new ATOM 578 N GLU A 42 0.266 -4.842 8.365 1.00 0.00 N ATOM 579 CA GLU A 42 0.639 -6.247 8.475 1.00 0.00 C ATOM 580 C GLU A 42 1.430 -6.501 9.755 1.00 0.00 C ATOM 581 O GLU A 42 1.457 -7.619 10.269 1.00 0.00 O ATOM 582 CB GLU A 42 1.463 -6.676 7.259 1.00 0.00 C ATOM 583 CG GLU A 42 1.941 -8.117 7.326 1.00 0.00 C ATOM 584 CD GLU A 42 2.949 -8.447 6.242 1.00 0.00 C ATOM 585 OE1 GLU A 42 2.704 -8.082 5.073 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.983 -9.071 6.563 1.00 0.00 O ATOM 0 H GLU A 42 0.596 -4.383 7.516 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.276 -6.838 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.863 -6.542 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.328 -6.019 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.389 -8.303 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.084 -8.785 7.236 1.00 0.00 H new ATOM 593 N GLU A 43 2.074 -5.454 10.263 1.00 0.00 N ATOM 594 CA GLU A 43 2.867 -5.564 11.482 1.00 0.00 C ATOM 595 C GLU A 43 1.993 -5.380 12.719 1.00 0.00 C ATOM 596 O GLU A 43 2.152 -6.083 13.716 1.00 0.00 O ATOM 597 CB GLU A 43 3.992 -4.527 11.480 1.00 0.00 C ATOM 598 CG GLU A 43 5.031 -4.758 10.395 1.00 0.00 C ATOM 599 CD GLU A 43 5.940 -5.933 10.699 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.812 -5.795 11.582 1.00 0.00 O ATOM 601 OE2 GLU A 43 5.780 -6.990 10.054 1.00 0.00 O ATOM 0 H GLU A 43 2.062 -4.522 9.850 1.00 0.00 H new ATOM 0 HA GLU A 43 3.303 -6.563 11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.560 -3.535 11.352 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.485 -4.537 12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.526 -4.930 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.634 -3.858 10.277 1.00 0.00 H new ATOM 608 N VAL A 44 1.068 -4.428 12.645 1.00 0.00 N ATOM 609 CA VAL A 44 0.167 -4.150 13.758 1.00 0.00 C ATOM 610 C VAL A 44 -1.097 -4.998 13.666 1.00 0.00 C ATOM 611 O VAL A 44 -1.392 -5.789 14.563 1.00 0.00 O ATOM 612 CB VAL A 44 -0.228 -2.662 13.801 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.297 -2.424 14.857 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.993 -1.794 14.063 1.00 0.00 C ATOM 0 H VAL A 44 0.923 -3.837 11.827 1.00 0.00 H new ATOM 0 HA VAL A 44 0.705 -4.402 14.672 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.641 -2.385 12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.564 -1.367 14.873 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.180 -3.018 14.621 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.914 -2.716 15.835 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.695 -0.746 14.090 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.437 -2.070 15.019 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.723 -1.943 13.267 1.00 0.00 H new ATOM 624 N ILE A 45 -1.840 -4.827 12.578 1.00 0.00 N ATOM 625 CA ILE A 45 -3.071 -5.578 12.369 1.00 0.00 C ATOM 626 C ILE A 45 -2.791 -7.073 12.254 1.00 0.00 C ATOM 627 O ILE A 45 -3.412 -7.886 12.938 1.00 0.00 O ATOM 628 CB ILE A 45 -3.810 -5.107 11.102 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.881 -3.579 11.065 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.206 -5.709 11.049 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.840 -3.043 10.026 1.00 0.00 C ATOM 0 H ILE A 45 -1.611 -4.175 11.828 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.703 -5.395 13.238 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.255 -5.447 10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.181 -3.214 12.047 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.885 -3.182 10.868 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.716 -5.367 10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.133 -6.796 11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.771 -5.395 11.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.838 -1.953 10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.529 -3.378 9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.845 -3.410 10.234 1.00 0.00 H new ATOM 643 N GLY A 46 -1.850 -7.428 11.385 1.00 0.00 N ATOM 644 CA GLY A 46 -1.503 -8.824 11.197 1.00 0.00 C ATOM 645 C GLY A 46 -1.931 -9.351 9.842 1.00 0.00 C ATOM 646 O GLY A 46 -1.803 -10.544 9.563 1.00 0.00 O ATOM 0 H GLY A 46 -1.322 -6.774 10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.425 -8.945 11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.972 -9.420 11.980 1.00 0.00 H new ATOM 650 N VAL A 47 -2.443 -8.462 8.997 1.00 0.00 N ATOM 651 CA VAL A 47 -2.892 -8.844 7.664 1.00 0.00 C ATOM 652 C VAL A 47 -1.814 -8.571 6.621 1.00 0.00 C ATOM 653 O VAL A 47 -1.228 -7.489 6.567 1.00 0.00 O ATOM 654 CB VAL A 47 -4.177 -8.092 7.268 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.543 -8.386 5.821 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.319 -8.461 8.202 1.00 0.00 C ATOM 0 H VAL A 47 -2.557 -7.472 9.212 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.100 -9.913 7.695 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.995 -7.021 7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.453 -7.846 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.731 -8.066 5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.708 -9.456 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.219 -7.921 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.504 -9.534 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.053 -8.194 9.225 1.00 0.00 H new ATOM 666 N PRO A 48 -1.545 -9.573 5.772 1.00 0.00 N ATOM 667 CA PRO A 48 -0.537 -9.465 4.714 1.00 0.00 C ATOM 668 C PRO A 48 -0.961 -8.509 3.604 1.00 0.00 C ATOM 669 O PRO A 48 -2.150 -8.351 3.330 1.00 0.00 O ATOM 670 CB PRO A 48 -0.432 -10.895 4.176 1.00 0.00 C ATOM 671 CG PRO A 48 -1.749 -11.515 4.490 1.00 0.00 C ATOM 672 CD PRO A 48 -2.205 -10.890 5.779 1.00 0.00 C ATOM 0 HA PRO A 48 0.405 -9.065 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.237 -10.901 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.385 -11.438 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.467 -11.330 3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.657 -12.596 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.290 -10.795 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.906 -11.485 6.642 1.00 0.00 H new ATOM 680 N GLN A 49 0.020 -7.874 2.970 1.00 0.00 N ATOM 681 CA GLN A 49 -0.254 -6.933 1.890 1.00 0.00 C ATOM 682 C GLN A 49 -1.014 -7.612 0.756 1.00 0.00 C ATOM 683 O GLN A 49 -1.522 -6.948 -0.148 1.00 0.00 O ATOM 684 CB GLN A 49 1.052 -6.339 1.360 1.00 0.00 C ATOM 685 CG GLN A 49 1.878 -5.636 2.426 1.00 0.00 C ATOM 686 CD GLN A 49 2.985 -4.783 1.838 1.00 0.00 C ATOM 687 OE1 GLN A 49 2.967 -4.453 0.652 1.00 0.00 O ATOM 688 NE2 GLN A 49 3.957 -4.421 2.668 1.00 0.00 N ATOM 0 H GLN A 49 1.010 -7.994 3.185 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.875 -6.131 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.649 -7.135 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.823 -5.630 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.224 -5.009 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.313 -6.380 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.931 -4.717 3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.729 -3.847 2.330 1.00 0.00 H new ATOM 697 N SER A 50 -1.089 -8.938 0.810 1.00 0.00 N ATOM 698 CA SER A 50 -1.784 -9.707 -0.215 1.00 0.00 C ATOM 699 C SER A 50 -3.255 -9.889 0.147 1.00 0.00 C ATOM 700 O SER A 50 -4.081 -10.213 -0.707 1.00 0.00 O ATOM 701 CB SER A 50 -1.119 -11.072 -0.397 1.00 0.00 C ATOM 702 OG SER A 50 0.154 -10.942 -1.005 1.00 0.00 O ATOM 0 H SER A 50 -0.677 -9.502 1.553 1.00 0.00 H new ATOM 0 HA SER A 50 -1.724 -9.154 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.015 -11.561 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.755 -11.711 -1.010 1.00 0.00 H new ATOM 0 HG SER A 50 0.559 -11.828 -1.109 1.00 0.00 H new ATOM 708 N PHE A 51 -3.575 -9.680 1.420 1.00 0.00 N ATOM 709 CA PHE A 51 -4.946 -9.822 1.897 1.00 0.00 C ATOM 710 C PHE A 51 -5.566 -8.458 2.183 1.00 0.00 C ATOM 711 O PHE A 51 -6.774 -8.271 2.036 1.00 0.00 O ATOM 712 CB PHE A 51 -4.982 -10.686 3.159 1.00 0.00 C ATOM 713 CG PHE A 51 -4.766 -12.148 2.891 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.678 -12.576 2.148 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.652 -13.094 3.381 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.476 -13.921 1.899 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.455 -14.440 3.137 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.366 -14.854 2.394 1.00 0.00 C ATOM 0 H PHE A 51 -2.904 -9.412 2.140 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.528 -10.309 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.217 -10.335 3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.945 -10.554 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.979 -11.850 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.506 -12.776 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.624 -14.241 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.152 -15.168 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.211 -15.905 2.201 1.00 0.00 H new ATOM 728 N GLN A 52 -4.731 -7.508 2.592 1.00 0.00 N ATOM 729 CA GLN A 52 -5.197 -6.162 2.901 1.00 0.00 C ATOM 730 C GLN A 52 -5.253 -5.303 1.641 1.00 0.00 C ATOM 731 O GLN A 52 -4.374 -5.384 0.783 1.00 0.00 O ATOM 732 CB GLN A 52 -4.283 -5.508 3.938 1.00 0.00 C ATOM 733 CG GLN A 52 -2.857 -5.306 3.452 1.00 0.00 C ATOM 734 CD GLN A 52 -2.192 -4.098 4.080 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.676 -2.973 3.956 1.00 0.00 O ATOM 736 NE2 GLN A 52 -1.074 -4.325 4.761 1.00 0.00 N ATOM 0 H GLN A 52 -3.728 -7.646 2.717 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.204 -6.239 3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.702 -4.542 4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.268 -6.125 4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.271 -6.197 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.859 -5.192 2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.708 -5.274 4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.582 -3.550 5.206 1.00 0.00 H new ATOM 745 N LYS A 53 -6.292 -4.482 1.537 1.00 0.00 N ATOM 746 CA LYS A 53 -6.463 -3.607 0.383 1.00 0.00 C ATOM 747 C LYS A 53 -6.817 -2.190 0.822 1.00 0.00 C ATOM 748 O LYS A 53 -7.878 -1.956 1.403 1.00 0.00 O ATOM 749 CB LYS A 53 -7.554 -4.154 -0.541 1.00 0.00 C ATOM 750 CG LYS A 53 -7.852 -3.255 -1.729 1.00 0.00 C ATOM 751 CD LYS A 53 -9.160 -3.636 -2.401 1.00 0.00 C ATOM 752 CE LYS A 53 -8.999 -4.868 -3.277 1.00 0.00 C ATOM 753 NZ LYS A 53 -8.229 -4.571 -4.517 1.00 0.00 N ATOM 0 H LYS A 53 -7.029 -4.404 2.238 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.518 -3.575 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.251 -5.135 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.469 -4.296 0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.900 -2.217 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.038 -3.322 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.919 -3.825 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.516 -2.802 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.491 -5.651 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.983 -5.255 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.340 -5.355 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.586 -3.693 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.222 -4.457 -4.282 1.00 0.00 H new ATOM 767 N LEU A 54 -5.925 -1.247 0.540 1.00 0.00 N ATOM 768 CA LEU A 54 -6.144 0.148 0.905 1.00 0.00 C ATOM 769 C LEU A 54 -7.090 0.826 -0.081 1.00 0.00 C ATOM 770 O LEU A 54 -7.024 0.584 -1.286 1.00 0.00 O ATOM 771 CB LEU A 54 -4.813 0.899 0.951 1.00 0.00 C ATOM 772 CG LEU A 54 -4.109 0.936 2.308 1.00 0.00 C ATOM 773 CD1 LEU A 54 -5.042 1.481 3.378 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.611 -0.451 2.689 1.00 0.00 C ATOM 0 H LEU A 54 -5.043 -1.423 0.059 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.601 0.172 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.137 0.445 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.986 1.925 0.626 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.249 1.601 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.524 1.500 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.350 2.492 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.922 0.842 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.113 -0.405 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.456 -1.137 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.907 -0.805 1.935 1.00 0.00 H new ATOM 786 N ILE A 55 -7.967 1.678 0.439 1.00 0.00 N ATOM 787 CA ILE A 55 -8.924 2.394 -0.396 1.00 0.00 C ATOM 788 C ILE A 55 -9.233 3.772 0.180 1.00 0.00 C ATOM 789 O ILE A 55 -9.756 3.890 1.288 1.00 0.00 O ATOM 790 CB ILE A 55 -10.238 1.606 -0.548 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.948 0.163 -0.964 1.00 0.00 C ATOM 792 CG2 ILE A 55 -11.147 2.283 -1.563 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.149 -0.751 -0.854 1.00 0.00 C ATOM 0 H ILE A 55 -8.035 1.889 1.435 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.464 2.509 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.749 1.591 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.589 0.155 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.144 -0.231 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.072 1.714 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.376 3.295 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.645 2.326 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.870 -1.758 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.496 -0.773 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.948 -0.381 -1.497 1.00 0.00 H new ATOM 805 N PHE A 56 -8.909 4.811 -0.581 1.00 0.00 N ATOM 806 CA PHE A 56 -9.153 6.182 -0.147 1.00 0.00 C ATOM 807 C PHE A 56 -9.741 7.015 -1.282 1.00 0.00 C ATOM 808 O PHE A 56 -9.171 7.094 -2.371 1.00 0.00 O ATOM 809 CB PHE A 56 -7.854 6.821 0.349 1.00 0.00 C ATOM 810 CG PHE A 56 -8.068 8.099 1.110 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.345 8.074 2.467 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.990 9.324 0.468 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.543 9.248 3.169 1.00 0.00 C ATOM 814 CE2 PHE A 56 -8.186 10.501 1.165 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.462 10.463 2.518 1.00 0.00 C ATOM 0 H PHE A 56 -8.477 4.731 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.873 6.155 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.329 6.110 0.988 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.207 7.020 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.407 7.127 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.774 9.360 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.761 9.215 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.123 11.450 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.614 11.382 3.065 1.00 0.00 H new ATOM 825 N LYS A 57 -10.887 7.635 -1.020 1.00 0.00 N ATOM 826 CA LYS A 57 -11.555 8.463 -2.018 1.00 0.00 C ATOM 827 C LYS A 57 -12.133 7.605 -3.139 1.00 0.00 C ATOM 828 O LYS A 57 -12.259 8.057 -4.276 1.00 0.00 O ATOM 829 CB LYS A 57 -10.577 9.488 -2.597 1.00 0.00 C ATOM 830 CG LYS A 57 -11.243 10.776 -3.050 1.00 0.00 C ATOM 831 CD LYS A 57 -10.226 11.771 -3.584 1.00 0.00 C ATOM 832 CE LYS A 57 -9.672 12.651 -2.474 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.708 13.566 -1.922 1.00 0.00 N ATOM 0 H LYS A 57 -11.373 7.580 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.375 8.989 -1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.823 9.723 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.055 9.042 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.978 10.554 -3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.784 11.220 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.409 11.234 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.692 12.395 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.279 12.023 -1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.837 13.237 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.246 14.376 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.317 13.907 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.286 13.055 -1.225 1.00 0.00 H new ATOM 847 N GLY A 58 -12.483 6.366 -2.809 1.00 0.00 N ATOM 848 CA GLY A 58 -13.045 5.466 -3.799 1.00 0.00 C ATOM 849 C GLY A 58 -12.016 5.002 -4.811 1.00 0.00 C ATOM 850 O GLY A 58 -12.356 4.672 -5.947 1.00 0.00 O ATOM 0 H GLY A 58 -12.388 5.969 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.472 4.599 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.861 5.967 -4.319 1.00 0.00 H new ATOM 854 N LYS A 59 -10.753 4.977 -4.398 1.00 0.00 N ATOM 855 CA LYS A 59 -9.669 4.550 -5.276 1.00 0.00 C ATOM 856 C LYS A 59 -8.708 3.622 -4.541 1.00 0.00 C ATOM 857 O LYS A 59 -8.224 3.946 -3.457 1.00 0.00 O ATOM 858 CB LYS A 59 -8.911 5.766 -5.812 1.00 0.00 C ATOM 859 CG LYS A 59 -9.687 6.557 -6.851 1.00 0.00 C ATOM 860 CD LYS A 59 -9.590 5.918 -8.226 1.00 0.00 C ATOM 861 CE LYS A 59 -9.740 6.951 -9.333 1.00 0.00 C ATOM 862 NZ LYS A 59 -11.163 7.337 -9.542 1.00 0.00 N ATOM 0 H LYS A 59 -10.455 5.247 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.105 4.004 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.661 6.424 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.970 5.433 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.733 6.623 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.303 7.576 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.630 5.412 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.363 5.157 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.156 7.837 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.332 6.551 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.223 8.042 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.716 6.496 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.545 7.743 -8.664 1.00 0.00 H new ATOM 876 N SER A 60 -8.434 2.467 -5.140 1.00 0.00 N ATOM 877 CA SER A 60 -7.532 1.491 -4.540 1.00 0.00 C ATOM 878 C SER A 60 -6.107 2.033 -4.481 1.00 0.00 C ATOM 879 O SER A 60 -5.541 2.437 -5.497 1.00 0.00 O ATOM 880 CB SER A 60 -7.559 0.184 -5.336 1.00 0.00 C ATOM 881 OG SER A 60 -7.845 0.425 -6.703 1.00 0.00 O ATOM 0 H SER A 60 -8.823 2.185 -6.039 1.00 0.00 H new ATOM 0 HA SER A 60 -7.871 1.297 -3.523 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.597 -0.320 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.310 -0.485 -4.917 1.00 0.00 H new ATOM 0 HG SER A 60 -7.855 -0.425 -7.190 1.00 0.00 H new ATOM 887 N LEU A 61 -5.533 2.039 -3.283 1.00 0.00 N ATOM 888 CA LEU A 61 -4.174 2.531 -3.088 1.00 0.00 C ATOM 889 C LEU A 61 -3.166 1.387 -3.146 1.00 0.00 C ATOM 890 O LEU A 61 -2.887 0.739 -2.137 1.00 0.00 O ATOM 891 CB LEU A 61 -4.061 3.258 -1.747 1.00 0.00 C ATOM 892 CG LEU A 61 -5.218 4.191 -1.389 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.143 4.598 0.074 1.00 0.00 C ATOM 894 CD2 LEU A 61 -5.210 5.419 -2.288 1.00 0.00 C ATOM 0 H LEU A 61 -5.988 1.709 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.949 3.230 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.966 2.511 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.139 3.839 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.154 3.655 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.975 5.262 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.199 3.709 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.202 5.115 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.040 6.072 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.270 5.956 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.314 5.109 -3.328 1.00 0.00 H new ATOM 906 N LYS A 62 -2.622 1.145 -4.333 1.00 0.00 N ATOM 907 CA LYS A 62 -1.643 0.081 -4.524 1.00 0.00 C ATOM 908 C LYS A 62 -0.226 0.646 -4.556 1.00 0.00 C ATOM 909 O LYS A 62 0.688 0.086 -3.952 1.00 0.00 O ATOM 910 CB LYS A 62 -1.930 -0.678 -5.821 1.00 0.00 C ATOM 911 CG LYS A 62 -1.895 0.199 -7.060 1.00 0.00 C ATOM 912 CD LYS A 62 -2.841 -0.314 -8.133 1.00 0.00 C ATOM 913 CE LYS A 62 -3.390 0.822 -8.982 1.00 0.00 C ATOM 914 NZ LYS A 62 -2.355 1.382 -9.895 1.00 0.00 N ATOM 0 H LYS A 62 -2.842 1.672 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.723 -0.607 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.199 -1.479 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.910 -1.149 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.167 1.220 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.880 0.233 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.317 -1.026 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.666 -0.852 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.235 0.461 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.767 1.612 -8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.768 2.154 -10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.560 1.749 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.013 0.635 -10.532 1.00 0.00 H new ATOM 928 N GLU A 63 -0.053 1.758 -5.264 1.00 0.00 N ATOM 929 CA GLU A 63 1.253 2.398 -5.373 1.00 0.00 C ATOM 930 C GLU A 63 1.834 2.687 -3.992 1.00 0.00 C ATOM 931 O GLU A 63 1.349 3.560 -3.273 1.00 0.00 O ATOM 932 CB GLU A 63 1.144 3.696 -6.175 1.00 0.00 C ATOM 933 CG GLU A 63 0.038 4.619 -5.693 1.00 0.00 C ATOM 934 CD GLU A 63 -0.442 5.569 -6.772 1.00 0.00 C ATOM 935 OE1 GLU A 63 -0.357 5.204 -7.964 1.00 0.00 O ATOM 936 OE2 GLU A 63 -0.901 6.678 -6.427 1.00 0.00 O ATOM 0 H GLU A 63 -0.800 2.234 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 63 1.923 1.713 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.095 4.226 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.971 3.452 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.802 4.020 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.397 5.195 -4.840 1.00 0.00 H new ATOM 943 N MET A 64 2.877 1.948 -3.629 1.00 0.00 N ATOM 944 CA MET A 64 3.525 2.125 -2.334 1.00 0.00 C ATOM 945 C MET A 64 4.584 3.221 -2.402 1.00 0.00 C ATOM 946 O MET A 64 4.701 4.040 -1.491 1.00 0.00 O ATOM 947 CB MET A 64 4.163 0.812 -1.875 1.00 0.00 C ATOM 948 CG MET A 64 3.199 -0.363 -1.873 1.00 0.00 C ATOM 949 SD MET A 64 2.209 -0.447 -0.369 1.00 0.00 S ATOM 950 CE MET A 64 0.556 -0.300 -1.042 1.00 0.00 C ATOM 0 H MET A 64 3.292 1.221 -4.213 1.00 0.00 H new ATOM 0 HA MET A 64 2.764 2.423 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.005 0.579 -2.527 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.564 0.944 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.537 -0.286 -2.735 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.762 -1.290 -1.985 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.172 -0.353 -0.233 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.457 0.655 -1.558 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.376 -1.113 -1.746 1.00 0.00 H new ATOM 960 N GLU A 65 5.352 3.230 -3.487 1.00 0.00 N ATOM 961 CA GLU A 65 6.401 4.226 -3.672 1.00 0.00 C ATOM 962 C GLU A 65 5.815 5.634 -3.707 1.00 0.00 C ATOM 963 O GLU A 65 6.546 6.625 -3.687 1.00 0.00 O ATOM 964 CB GLU A 65 7.174 3.951 -4.963 1.00 0.00 C ATOM 965 CG GLU A 65 6.284 3.799 -6.185 1.00 0.00 C ATOM 966 CD GLU A 65 6.042 5.116 -6.898 1.00 0.00 C ATOM 967 OE1 GLU A 65 6.859 6.044 -6.722 1.00 0.00 O ATOM 968 OE2 GLU A 65 5.037 5.218 -7.631 1.00 0.00 O ATOM 0 H GLU A 65 5.268 2.559 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 65 7.085 4.157 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.878 4.765 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.763 3.042 -4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.742 3.094 -6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.327 3.373 -5.883 1.00 0.00 H new ATOM 975 N THR A 66 4.489 5.715 -3.759 1.00 0.00 N ATOM 976 CA THR A 66 3.803 7.001 -3.799 1.00 0.00 C ATOM 977 C THR A 66 3.684 7.604 -2.404 1.00 0.00 C ATOM 978 O THR A 66 3.299 6.937 -1.444 1.00 0.00 O ATOM 979 CB THR A 66 2.395 6.868 -4.410 1.00 0.00 C ATOM 980 OG1 THR A 66 2.490 6.409 -5.763 1.00 0.00 O ATOM 981 CG2 THR A 66 1.660 8.199 -4.370 1.00 0.00 C ATOM 0 H THR A 66 3.869 4.905 -3.774 1.00 0.00 H new ATOM 0 HA THR A 66 4.403 7.660 -4.427 1.00 0.00 H new ATOM 0 HB THR A 66 1.833 6.144 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.953 6.988 -6.343 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.668 8.080 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.564 8.531 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.220 8.941 -4.938 1.00 0.00 H new ATOM 989 N PRO A 67 4.022 8.897 -2.287 1.00 0.00 N ATOM 990 CA PRO A 67 3.960 9.619 -1.012 1.00 0.00 C ATOM 991 C PRO A 67 2.527 9.849 -0.546 1.00 0.00 C ATOM 992 O PRO A 67 1.716 10.436 -1.264 1.00 0.00 O ATOM 993 CB PRO A 67 4.641 10.953 -1.327 1.00 0.00 C ATOM 994 CG PRO A 67 4.459 11.134 -2.795 1.00 0.00 C ATOM 995 CD PRO A 67 4.489 9.754 -3.390 1.00 0.00 C ATOM 0 HA PRO A 67 4.435 9.062 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.187 11.771 -0.768 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.697 10.931 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.514 11.632 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.251 11.756 -3.212 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.838 9.678 -4.261 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.492 9.479 -3.716 1.00 0.00 H new ATOM 1003 N LEU A 68 2.220 9.386 0.661 1.00 0.00 N ATOM 1004 CA LEU A 68 0.884 9.542 1.224 1.00 0.00 C ATOM 1005 C LEU A 68 0.362 10.958 1.003 1.00 0.00 C ATOM 1006 O LEU A 68 -0.837 11.167 0.819 1.00 0.00 O ATOM 1007 CB LEU A 68 0.898 9.219 2.719 1.00 0.00 C ATOM 1008 CG LEU A 68 1.213 7.769 3.089 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.808 7.692 4.487 1.00 0.00 C ATOM 1010 CD2 LEU A 68 -0.040 6.910 2.993 1.00 0.00 C ATOM 0 H LEU A 68 2.879 8.899 1.269 1.00 0.00 H new ATOM 0 HA LEU A 68 0.218 8.845 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.631 9.864 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.076 9.476 3.135 1.00 0.00 H new ATOM 0 HG LEU A 68 1.948 7.385 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.026 6.653 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.729 8.274 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.096 8.094 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.203 5.881 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.797 7.293 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.424 6.939 1.973 1.00 0.00 H new ATOM 1022 N SER A 69 1.271 11.928 1.021 1.00 0.00 N ATOM 1023 CA SER A 69 0.903 13.325 0.824 1.00 0.00 C ATOM 1024 C SER A 69 0.251 13.528 -0.540 1.00 0.00 C ATOM 1025 O SER A 69 -0.729 14.262 -0.669 1.00 0.00 O ATOM 1026 CB SER A 69 2.135 14.222 0.952 1.00 0.00 C ATOM 1027 OG SER A 69 2.747 14.430 -0.309 1.00 0.00 O ATOM 0 H SER A 69 2.268 11.772 1.170 1.00 0.00 H new ATOM 0 HA SER A 69 0.183 13.597 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.847 15.181 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.851 13.767 1.637 1.00 0.00 H new ATOM 0 HG SER A 69 3.531 15.008 -0.201 1.00 0.00 H new ATOM 1033 N ALA A 70 0.802 12.871 -1.556 1.00 0.00 N ATOM 1034 CA ALA A 70 0.274 12.977 -2.910 1.00 0.00 C ATOM 1035 C ALA A 70 -1.179 12.516 -2.971 1.00 0.00 C ATOM 1036 O ALA A 70 -2.009 13.132 -3.640 1.00 0.00 O ATOM 1037 CB ALA A 70 1.128 12.167 -3.874 1.00 0.00 C ATOM 0 H ALA A 70 1.614 12.260 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 70 0.307 14.026 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.722 12.255 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.150 12.545 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.124 11.120 -3.572 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.479 11.428 -2.269 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.832 10.883 -2.244 1.00 0.00 C ATOM 1045 C LEU A 71 -3.763 11.776 -1.430 1.00 0.00 C ATOM 1046 O LEU A 71 -4.983 11.713 -1.575 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.823 9.470 -1.659 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.927 8.455 -2.371 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.475 7.372 -1.404 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.654 7.843 -3.559 1.00 0.00 C ATOM 0 H LEU A 71 -0.804 10.906 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.200 10.843 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.511 9.532 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.844 9.090 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.043 8.975 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.839 6.659 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.915 7.825 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.347 6.854 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.002 7.123 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.555 7.337 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.927 8.629 -4.263 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.178 12.610 -0.575 1.00 0.00 N ATOM 1063 CA GLY A 72 -3.971 13.505 0.247 1.00 0.00 C ATOM 1064 C GLY A 72 -4.041 13.055 1.693 1.00 0.00 C ATOM 1065 O GLY A 72 -4.622 13.740 2.535 1.00 0.00 O ATOM 0 H GLY A 72 -2.170 12.681 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.545 14.507 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.980 13.568 -0.160 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.449 11.901 1.981 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.448 11.361 3.335 1.00 0.00 C ATOM 1071 C ILE A 73 -2.413 12.065 4.207 1.00 0.00 C ATOM 1072 O ILE A 73 -1.281 12.293 3.781 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.160 9.848 3.337 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.244 9.100 2.558 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.071 9.328 4.764 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.752 7.823 1.913 1.00 0.00 C ATOM 0 H ILE A 73 -2.964 11.322 1.295 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.443 11.534 3.745 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.202 9.674 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.067 8.863 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.644 9.757 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.867 8.257 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.267 9.843 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.015 9.510 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.573 7.346 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.949 8.055 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.379 7.147 2.682 1.00 0.00 H new ATOM 1088 N GLN A 74 -2.810 12.405 5.428 1.00 0.00 N ATOM 1089 CA GLN A 74 -1.917 13.082 6.361 1.00 0.00 C ATOM 1090 C GLN A 74 -2.297 12.769 7.804 1.00 0.00 C ATOM 1091 O GLN A 74 -3.378 12.244 8.072 1.00 0.00 O ATOM 1092 CB GLN A 74 -1.952 14.593 6.128 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.099 15.048 4.954 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.229 16.533 4.679 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.234 17.155 5.025 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -0.211 17.111 4.054 1.00 0.00 N ATOM 0 H GLN A 74 -3.744 12.223 5.795 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.905 12.718 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.983 14.902 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.612 15.099 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.055 14.810 5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.387 14.491 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.603 16.558 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.242 18.108 3.843 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.402 13.094 8.730 1.00 0.00 N ATOM 1106 CA ASP A 75 -1.644 12.848 10.147 1.00 0.00 C ATOM 1107 C ASP A 75 -3.034 13.330 10.552 1.00 0.00 C ATOM 1108 O ASP A 75 -3.264 14.527 10.715 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.581 13.547 10.997 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.602 13.089 12.442 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.671 13.188 13.080 1.00 0.00 O ATOM 1112 OD2 ASP A 75 0.450 12.631 12.934 1.00 0.00 O ATOM 0 H ASP A 75 -0.502 13.528 8.525 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.587 11.773 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.404 13.354 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.740 14.625 10.958 1.00 0.00 H new ATOM 1117 N GLY A 76 -3.958 12.387 10.713 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.313 12.735 11.096 1.00 0.00 C ATOM 1119 C GLY A 76 -6.322 12.421 10.009 1.00 0.00 C ATOM 1120 O GLY A 76 -7.281 13.167 9.809 1.00 0.00 O ATOM 0 H GLY A 76 -3.792 11.389 10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.581 12.194 12.003 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.358 13.798 11.334 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.105 11.316 9.304 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.002 10.907 8.229 1.00 0.00 C ATOM 1126 C CYS A 77 -7.562 9.512 8.490 1.00 0.00 C ATOM 1127 O CYS A 77 -7.040 8.768 9.319 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.268 10.932 6.887 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.221 12.560 6.102 1.00 0.00 S ATOM 0 H CYS A 77 -5.316 10.688 9.457 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.833 11.612 8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.246 10.583 7.037 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.749 10.227 6.209 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.187 12.418 4.810 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.630 9.167 7.777 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.263 7.863 7.934 1.00 0.00 C ATOM 1137 C ARG A 78 -9.293 7.110 6.607 1.00 0.00 C ATOM 1138 O ARG A 78 -9.995 7.503 5.674 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.685 8.025 8.473 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.765 8.024 9.991 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.179 8.305 10.475 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.204 8.742 11.868 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.278 8.660 12.645 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.409 8.159 12.167 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -13.223 9.079 13.903 1.00 0.00 N ATOM 0 H ARG A 78 -9.074 9.772 7.086 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.675 7.285 8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.103 8.958 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.306 7.218 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.434 7.058 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.086 8.776 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.632 9.072 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.785 7.405 10.366 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.350 9.132 12.266 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.455 7.836 11.201 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.233 8.097 12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.355 9.465 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.049 9.015 14.498 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.527 6.027 6.529 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.467 5.219 5.317 1.00 0.00 C ATOM 1161 C VAL A 79 -9.218 3.904 5.495 1.00 0.00 C ATOM 1162 O VAL A 79 -9.452 3.458 6.618 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.010 4.915 4.917 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.953 4.321 3.518 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.161 6.174 5.006 1.00 0.00 C ATOM 0 H VAL A 79 -7.939 5.689 7.291 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.940 5.800 4.525 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.605 4.181 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.916 4.113 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.527 3.395 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.375 5.029 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.135 5.942 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.562 6.932 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.176 6.552 6.028 1.00 0.00 H new ATOM 1175 N MET A 80 -9.592 3.287 4.379 1.00 0.00 N ATOM 1176 CA MET A 80 -10.316 2.022 4.412 1.00 0.00 C ATOM 1177 C MET A 80 -9.396 0.860 4.051 1.00 0.00 C ATOM 1178 O MET A 80 -8.492 1.003 3.227 1.00 0.00 O ATOM 1179 CB MET A 80 -11.505 2.064 3.449 1.00 0.00 C ATOM 1180 CG MET A 80 -12.219 0.730 3.306 1.00 0.00 C ATOM 1181 SD MET A 80 -13.553 0.525 4.501 1.00 0.00 S ATOM 1182 CE MET A 80 -14.350 -0.950 3.870 1.00 0.00 C ATOM 0 H MET A 80 -9.406 3.642 3.441 1.00 0.00 H new ATOM 0 HA MET A 80 -10.685 1.870 5.426 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.217 2.812 3.797 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.156 2.387 2.468 1.00 0.00 H new ATOM 0 HG2 MET A 80 -12.624 0.645 2.297 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.498 -0.078 3.429 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.198 -1.205 4.505 1.00 0.00 H new ATOM 0 HE2 MET A 80 -14.700 -0.768 2.854 1.00 0.00 H new ATOM 0 HE3 MET A 80 -13.638 -1.775 3.866 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.631 -0.290 4.673 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.823 -1.477 4.418 1.00 0.00 C ATOM 1194 C LEU A 81 -9.696 -2.726 4.349 1.00 0.00 C ATOM 1195 O LEU A 81 -10.459 -3.013 5.272 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.763 -1.641 5.509 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.716 -2.730 5.269 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.826 -2.364 4.090 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.881 -2.951 6.521 1.00 0.00 C ATOM 0 H LEU A 81 -10.375 -0.426 5.358 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.328 -1.349 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.246 -0.689 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.269 -1.853 6.451 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.234 -3.660 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.087 -3.150 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.436 -2.256 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.316 -1.423 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.141 -3.729 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.373 -2.024 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.530 -3.258 7.341 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.576 -3.466 3.252 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.352 -4.685 3.065 1.00 0.00 C ATOM 1213 C ILE A 82 -9.467 -5.922 3.173 1.00 0.00 C ATOM 1214 O ILE A 82 -8.515 -6.086 2.411 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.065 -4.696 1.699 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.012 -3.500 1.585 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.824 -6.000 1.508 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.853 -3.513 0.328 1.00 0.00 C ATOM 0 H ILE A 82 -8.949 -3.242 2.479 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.101 -4.706 3.857 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.314 -4.618 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.671 -3.485 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.428 -2.580 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.322 -5.992 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.127 -6.837 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.568 -6.107 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.500 -2.636 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.202 -3.497 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.464 -4.415 0.308 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.789 -6.793 4.125 1.00 0.00 N ATOM 1231 CA GLY A 83 -9.014 -8.005 4.315 1.00 0.00 C ATOM 1232 C GLY A 83 -9.427 -8.768 5.558 1.00 0.00 C ATOM 1233 O GLY A 83 -10.299 -8.327 6.306 1.00 0.00 O ATOM 0 H GLY A 83 -10.573 -6.681 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.131 -8.648 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.957 -7.749 4.384 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.800 -9.919 5.779 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.107 -10.747 6.939 1.00 0.00 C ATOM 1239 C LYS A 84 -7.887 -10.887 7.845 1.00 0.00 C ATOM 1240 O LYS A 84 -6.756 -10.984 7.370 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.584 -12.131 6.492 1.00 0.00 C ATOM 1242 CG LYS A 84 -8.603 -12.847 5.580 1.00 0.00 C ATOM 1243 CD LYS A 84 -9.230 -14.076 4.943 1.00 0.00 C ATOM 1244 CE LYS A 84 -9.902 -13.736 3.621 1.00 0.00 C ATOM 1245 NZ LYS A 84 -11.285 -13.221 3.818 1.00 0.00 N ATOM 0 H LYS A 84 -8.076 -10.299 5.169 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.903 -10.259 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.763 -12.747 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.538 -12.028 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.265 -12.164 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.722 -13.141 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.463 -14.833 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.963 -14.507 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.308 -12.990 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.932 -14.624 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.860 -13.442 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.707 -13.670 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.255 -12.191 3.956 1.00 0.00 H new ATOM 1259 N LYS A 85 -8.126 -10.898 9.152 1.00 0.00 N ATOM 1260 CA LYS A 85 -7.048 -11.028 10.126 1.00 0.00 C ATOM 1261 C LYS A 85 -7.323 -12.178 11.090 1.00 0.00 C ATOM 1262 O LYS A 85 -8.467 -12.597 11.262 1.00 0.00 O ATOM 1263 CB LYS A 85 -6.878 -9.723 10.907 1.00 0.00 C ATOM 1264 CG LYS A 85 -8.147 -9.259 11.600 1.00 0.00 C ATOM 1265 CD LYS A 85 -7.853 -8.208 12.657 1.00 0.00 C ATOM 1266 CE LYS A 85 -9.110 -7.815 13.417 1.00 0.00 C ATOM 1267 NZ LYS A 85 -9.376 -8.731 14.561 1.00 0.00 N ATOM 0 H LYS A 85 -9.057 -10.818 9.562 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.126 -11.242 9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.094 -9.855 11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.540 -8.943 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.837 -8.851 10.862 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.643 -10.112 12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.109 -8.591 13.356 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.422 -7.326 12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.007 -6.794 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.963 -7.825 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.241 -8.429 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.499 -9.701 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.574 -8.703 15.222 1.00 0.00 H new ATOM 1281 N ASN A 86 -6.266 -12.683 11.718 1.00 0.00 N ATOM 1282 CA ASN A 86 -6.394 -13.784 12.666 1.00 0.00 C ATOM 1283 C ASN A 86 -5.555 -13.527 13.914 1.00 0.00 C ATOM 1284 O ASN A 86 -4.480 -12.933 13.841 1.00 0.00 O ATOM 1285 CB ASN A 86 -5.966 -15.099 12.012 1.00 0.00 C ATOM 1286 CG ASN A 86 -7.052 -15.688 11.132 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -8.084 -16.145 11.623 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -6.822 -15.679 9.824 1.00 0.00 N ATOM 0 H ASN A 86 -5.312 -12.347 11.588 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.441 -13.857 12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.070 -14.930 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.701 -15.818 12.787 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.516 -16.062 9.182 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.952 -15.290 9.462 1.00 0.00 H new ATOM 1295 N SER A 87 -6.055 -13.979 15.060 1.00 0.00 N ATOM 1296 CA SER A 87 -5.354 -13.796 16.325 1.00 0.00 C ATOM 1297 C SER A 87 -4.032 -14.557 16.329 1.00 0.00 C ATOM 1298 O SER A 87 -3.950 -15.678 16.829 1.00 0.00 O ATOM 1299 CB SER A 87 -6.229 -14.264 17.490 1.00 0.00 C ATOM 1300 OG SER A 87 -7.207 -13.292 17.817 1.00 0.00 O ATOM 0 H SER A 87 -6.943 -14.475 15.138 1.00 0.00 H new ATOM 0 HA SER A 87 -5.142 -12.734 16.444 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.718 -15.202 17.227 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.604 -14.463 18.361 1.00 0.00 H new ATOM 0 HG SER A 87 -7.754 -13.616 18.563 1.00 0.00 H new ATOM 1306 N GLY A 88 -2.998 -13.938 15.767 1.00 0.00 N ATOM 1307 CA GLY A 88 -1.693 -14.570 15.716 1.00 0.00 C ATOM 1308 C GLY A 88 -1.629 -15.684 14.689 1.00 0.00 C ATOM 1309 O GLY A 88 -2.607 -16.392 14.448 1.00 0.00 O ATOM 0 H GLY A 88 -3.041 -13.010 15.346 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.938 -13.820 15.481 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.448 -14.972 16.699 1.00 0.00 H new ATOM 1313 N PRO A 89 -0.454 -15.850 14.063 1.00 0.00 N ATOM 1314 CA PRO A 89 -0.238 -16.883 13.046 1.00 0.00 C ATOM 1315 C PRO A 89 -0.233 -18.288 13.639 1.00 0.00 C ATOM 1316 O PRO A 89 0.190 -18.490 14.777 1.00 0.00 O ATOM 1317 CB PRO A 89 1.140 -16.537 12.476 1.00 0.00 C ATOM 1318 CG PRO A 89 1.829 -15.800 13.572 1.00 0.00 C ATOM 1319 CD PRO A 89 0.754 -15.042 14.301 1.00 0.00 C ATOM 0 HA PRO A 89 -1.032 -16.893 12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.690 -17.436 12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.055 -15.924 11.579 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.344 -16.489 14.242 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.582 -15.121 13.172 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.975 -14.954 15.365 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.643 -14.029 13.913 1.00 0.00 H new ATOM 1327 N SER A 90 -0.705 -19.256 12.859 1.00 0.00 N ATOM 1328 CA SER A 90 -0.757 -20.642 13.309 1.00 0.00 C ATOM 1329 C SER A 90 0.367 -21.460 12.680 1.00 0.00 C ATOM 1330 O SER A 90 0.279 -22.684 12.582 1.00 0.00 O ATOM 1331 CB SER A 90 -2.111 -21.263 12.960 1.00 0.00 C ATOM 1332 OG SER A 90 -2.336 -21.242 11.561 1.00 0.00 O ATOM 0 H SER A 90 -1.056 -19.106 11.913 1.00 0.00 H new ATOM 0 HA SER A 90 -0.628 -20.652 14.391 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.148 -22.290 13.322 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.907 -20.718 13.468 1.00 0.00 H new ATOM 0 HG SER A 90 -3.207 -21.646 11.364 1.00 0.00 H new ATOM 1338 N SER A 91 1.423 -20.773 12.255 1.00 0.00 N ATOM 1339 CA SER A 91 2.564 -21.434 11.632 1.00 0.00 C ATOM 1340 C SER A 91 3.825 -20.587 11.770 1.00 0.00 C ATOM 1341 O SER A 91 3.754 -19.374 11.962 1.00 0.00 O ATOM 1342 CB SER A 91 2.278 -21.705 10.154 1.00 0.00 C ATOM 1343 OG SER A 91 2.236 -20.498 9.412 1.00 0.00 O ATOM 0 H SER A 91 1.512 -19.760 12.331 1.00 0.00 H new ATOM 0 HA SER A 91 2.727 -22.383 12.144 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.048 -22.360 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.328 -22.230 10.055 1.00 0.00 H new ATOM 0 HG SER A 91 2.053 -20.699 8.470 1.00 0.00 H new ATOM 1349 N GLY A 92 4.981 -21.237 11.672 1.00 0.00 N ATOM 1350 CA GLY A 92 6.243 -20.528 11.789 1.00 0.00 C ATOM 1351 C GLY A 92 7.412 -21.462 12.030 1.00 0.00 C ATOM 1352 O GLY A 92 7.536 -22.046 13.107 1.00 0.00 O ATOM 0 H GLY A 92 5.066 -22.241 11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.421 -19.956 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.179 -19.812 12.608 1.00 0.00 H new TER 1356 GLY A 92