USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=27 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= -1.54 K(o=-1.6,f=-3.4!) USER MOD Set 1.2: A 49 GLN : amide:sc= -0.0206 K(o=-1.6,f=-2.6) 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 Set 3.1: A 14 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-4.3) USER MOD Set 3.2: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=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 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -4.2! C(o=-4.2!,f=-4.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc=-0.00576 X(o=-0.0058,f=-0.0058) USER MOD Single : A 22 HIS : no HE2:sc= -0.853 K(o=-0.85,f=-1.6) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.0792 X(o=0.079,f=0) USER MOD Single : A 27 GLN : amide:sc= -1.97! C(o=-2!,f=-2.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.0354 (180deg=-0.79) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 172:sc= -0.151 (180deg=-0.214) USER MOD Single : A 66 THR OG1 : rot -171:sc= -2.63! USER MOD Single : A 69 SER OG : rot -164:sc= -0.321 USER MOD Single : A 74 GLN : amide:sc=0.000571 X(o=0.00057,f=-0.31) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -121:sc= -0.0303 (180deg=-1.47) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= 0.768 F(o=0,f=0.77) 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 26:sc= 0.485 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.240 9.960 23.890 1.00 0.00 N ATOM 2 CA GLY A 1 12.588 11.157 24.388 1.00 0.00 C ATOM 3 C GLY A 1 13.134 12.421 23.753 1.00 0.00 C ATOM 4 O GLY A 1 14.182 12.924 24.157 1.00 0.00 O ATOM 0 H1 GLY A 1 12.832 9.124 24.354 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.098 9.889 22.862 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.258 10.008 24.096 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.517 11.091 24.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.715 11.213 25.469 1.00 0.00 H new ATOM 8 N SER A 2 12.422 12.935 22.755 1.00 0.00 N ATOM 9 CA SER A 2 12.844 14.145 22.060 1.00 0.00 C ATOM 10 C SER A 2 11.726 14.677 21.168 1.00 0.00 C ATOM 11 O SER A 2 10.798 13.949 20.816 1.00 0.00 O ATOM 12 CB SER A 2 14.092 13.867 21.220 1.00 0.00 C ATOM 13 OG SER A 2 13.777 13.084 20.082 1.00 0.00 O ATOM 0 H SER A 2 11.551 12.532 22.410 1.00 0.00 H new ATOM 0 HA SER A 2 13.079 14.901 22.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.539 14.810 20.904 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.835 13.350 21.827 1.00 0.00 H new ATOM 0 HG SER A 2 14.591 12.922 19.561 1.00 0.00 H new ATOM 19 N SER A 3 11.822 15.953 20.808 1.00 0.00 N ATOM 20 CA SER A 3 10.817 16.585 19.960 1.00 0.00 C ATOM 21 C SER A 3 11.173 16.427 18.485 1.00 0.00 C ATOM 22 O SER A 3 12.011 17.157 17.956 1.00 0.00 O ATOM 23 CB SER A 3 10.687 18.069 20.309 1.00 0.00 C ATOM 24 OG SER A 3 10.159 18.242 21.613 1.00 0.00 O ATOM 0 H SER A 3 12.584 16.569 21.090 1.00 0.00 H new ATOM 0 HA SER A 3 9.862 16.091 20.140 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.664 18.548 20.242 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.040 18.561 19.583 1.00 0.00 H new ATOM 0 HG SER A 3 10.087 19.199 21.813 1.00 0.00 H new ATOM 30 N GLY A 4 10.530 15.468 17.827 1.00 0.00 N ATOM 31 CA GLY A 4 10.791 15.230 16.419 1.00 0.00 C ATOM 32 C GLY A 4 9.706 14.402 15.760 1.00 0.00 C ATOM 33 O GLY A 4 9.994 13.417 15.081 1.00 0.00 O ATOM 0 H GLY A 4 9.833 14.851 18.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.879 16.186 15.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.749 14.720 16.311 1.00 0.00 H new ATOM 37 N SER A 5 8.454 14.801 15.962 1.00 0.00 N ATOM 38 CA SER A 5 7.322 14.085 15.386 1.00 0.00 C ATOM 39 C SER A 5 7.600 13.704 13.935 1.00 0.00 C ATOM 40 O SER A 5 7.566 14.550 13.043 1.00 0.00 O ATOM 41 CB SER A 5 6.056 14.940 15.467 1.00 0.00 C ATOM 42 OG SER A 5 5.614 15.072 16.807 1.00 0.00 O ATOM 0 H SER A 5 8.198 15.616 16.520 1.00 0.00 H new ATOM 0 HA SER A 5 7.172 13.171 15.961 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.252 15.926 15.047 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.269 14.487 14.864 1.00 0.00 H new ATOM 0 HG SER A 5 4.805 15.624 16.832 1.00 0.00 H new ATOM 48 N SER A 6 7.876 12.423 13.709 1.00 0.00 N ATOM 49 CA SER A 6 8.165 11.930 12.367 1.00 0.00 C ATOM 50 C SER A 6 7.160 10.859 11.955 1.00 0.00 C ATOM 51 O SER A 6 7.454 9.665 12.000 1.00 0.00 O ATOM 52 CB SER A 6 9.585 11.364 12.304 1.00 0.00 C ATOM 53 OG SER A 6 9.905 10.935 10.992 1.00 0.00 O ATOM 0 H SER A 6 7.906 11.709 14.437 1.00 0.00 H new ATOM 0 HA SER A 6 8.084 12.767 11.673 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.297 12.124 12.625 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.677 10.527 12.996 1.00 0.00 H new ATOM 0 HG SER A 6 10.818 10.579 10.978 1.00 0.00 H new ATOM 59 N GLY A 7 5.970 11.296 11.553 1.00 0.00 N ATOM 60 CA GLY A 7 4.938 10.363 11.138 1.00 0.00 C ATOM 61 C GLY A 7 3.550 10.968 11.202 1.00 0.00 C ATOM 62 O GLY A 7 3.377 12.096 11.666 1.00 0.00 O ATOM 0 H GLY A 7 5.702 12.279 11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.140 10.032 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.975 9.478 11.774 1.00 0.00 H new ATOM 66 N LEU A 8 2.558 10.220 10.733 1.00 0.00 N ATOM 67 CA LEU A 8 1.177 10.690 10.736 1.00 0.00 C ATOM 68 C LEU A 8 0.260 9.678 11.416 1.00 0.00 C ATOM 69 O LEU A 8 0.551 8.482 11.450 1.00 0.00 O ATOM 70 CB LEU A 8 0.701 10.946 9.305 1.00 0.00 C ATOM 71 CG LEU A 8 0.771 9.753 8.351 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.322 9.848 7.298 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.141 9.675 7.695 1.00 0.00 C ATOM 0 H LEU A 8 2.684 9.285 10.346 1.00 0.00 H new ATOM 0 HA LEU A 8 1.138 11.624 11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.331 11.295 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.296 11.757 8.885 1.00 0.00 H new ATOM 0 HG LEU A 8 0.614 8.841 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.257 8.991 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.297 9.855 7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.196 10.767 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.173 8.820 7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.327 10.590 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.906 9.559 8.463 1.00 0.00 H new ATOM 85 N THR A 9 -0.853 10.166 11.957 1.00 0.00 N ATOM 86 CA THR A 9 -1.814 9.306 12.635 1.00 0.00 C ATOM 87 C THR A 9 -3.029 9.037 11.754 1.00 0.00 C ATOM 88 O THR A 9 -3.920 9.878 11.636 1.00 0.00 O ATOM 89 CB THR A 9 -2.284 9.927 13.964 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.161 10.160 14.821 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.282 9.016 14.663 1.00 0.00 C ATOM 0 H THR A 9 -1.110 11.153 11.938 1.00 0.00 H new ATOM 0 HA THR A 9 -1.304 8.365 12.843 1.00 0.00 H new ATOM 0 HB THR A 9 -2.774 10.875 13.743 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.469 10.556 15.663 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.600 9.475 15.599 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.149 8.865 14.020 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.813 8.054 14.871 1.00 0.00 H new ATOM 99 N VAL A 10 -3.059 7.860 11.138 1.00 0.00 N ATOM 100 CA VAL A 10 -4.166 7.479 10.269 1.00 0.00 C ATOM 101 C VAL A 10 -4.752 6.134 10.682 1.00 0.00 C ATOM 102 O VAL A 10 -4.020 5.180 10.947 1.00 0.00 O ATOM 103 CB VAL A 10 -3.723 7.403 8.796 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.404 6.655 8.673 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.800 6.743 7.949 1.00 0.00 C ATOM 0 H VAL A 10 -2.329 7.153 11.225 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.929 8.251 10.372 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.574 8.418 8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.107 6.611 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.636 7.174 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.523 5.643 9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.470 6.698 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.983 5.733 8.316 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.720 7.324 8.012 1.00 0.00 H new ATOM 115 N THR A 11 -6.079 6.064 10.736 1.00 0.00 N ATOM 116 CA THR A 11 -6.765 4.836 11.117 1.00 0.00 C ATOM 117 C THR A 11 -7.018 3.948 9.904 1.00 0.00 C ATOM 118 O THR A 11 -7.112 4.432 8.777 1.00 0.00 O ATOM 119 CB THR A 11 -8.108 5.134 11.810 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.877 5.765 13.074 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.908 3.856 12.013 1.00 0.00 C ATOM 0 H THR A 11 -6.700 6.844 10.520 1.00 0.00 H new ATOM 0 HA THR A 11 -6.112 4.314 11.816 1.00 0.00 H new ATOM 0 HB THR A 11 -8.682 5.804 11.170 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.736 5.953 13.508 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.852 4.092 12.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.107 3.394 11.046 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.338 3.165 12.635 1.00 0.00 H new ATOM 129 N VAL A 12 -7.127 2.645 10.143 1.00 0.00 N ATOM 130 CA VAL A 12 -7.371 1.688 9.070 1.00 0.00 C ATOM 131 C VAL A 12 -8.609 0.846 9.356 1.00 0.00 C ATOM 132 O VAL A 12 -8.616 0.021 10.270 1.00 0.00 O ATOM 133 CB VAL A 12 -6.164 0.754 8.866 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.539 -0.414 7.966 1.00 0.00 C ATOM 135 CG2 VAL A 12 -4.985 1.525 8.289 1.00 0.00 C ATOM 0 H VAL A 12 -7.050 2.228 11.071 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.531 2.266 8.160 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.868 0.354 9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.674 -1.063 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.351 -0.980 8.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.862 -0.037 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.141 0.849 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.267 1.954 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.702 2.324 8.974 1.00 0.00 H new ATOM 145 N THR A 13 -9.658 1.059 8.566 1.00 0.00 N ATOM 146 CA THR A 13 -10.902 0.320 8.734 1.00 0.00 C ATOM 147 C THR A 13 -10.800 -1.075 8.128 1.00 0.00 C ATOM 148 O THR A 13 -10.980 -1.254 6.923 1.00 0.00 O ATOM 149 CB THR A 13 -12.088 1.062 8.088 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.174 2.393 8.608 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.393 0.325 8.345 1.00 0.00 C ATOM 0 H THR A 13 -9.670 1.737 7.804 1.00 0.00 H new ATOM 0 HA THR A 13 -11.076 0.235 9.807 1.00 0.00 H new ATOM 0 HB THR A 13 -11.920 1.103 7.012 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.929 2.859 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.215 0.868 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.334 -0.678 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.566 0.255 9.419 1.00 0.00 H new ATOM 159 N HIS A 14 -10.510 -2.062 8.970 1.00 0.00 N ATOM 160 CA HIS A 14 -10.385 -3.442 8.517 1.00 0.00 C ATOM 161 C HIS A 14 -11.368 -4.347 9.254 1.00 0.00 C ATOM 162 O HIS A 14 -11.796 -4.040 10.366 1.00 0.00 O ATOM 163 CB HIS A 14 -8.956 -3.943 8.729 1.00 0.00 C ATOM 164 CG HIS A 14 -8.690 -5.278 8.104 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.753 -6.464 8.806 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.361 -5.612 6.834 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.473 -7.468 7.996 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.232 -6.979 6.793 1.00 0.00 N ATOM 0 H HIS A 14 -10.357 -1.931 9.970 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.619 -3.472 7.453 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.259 -3.213 8.317 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.757 -4.006 9.799 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.980 -6.551 9.796 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.225 -4.931 6.007 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.446 -8.512 8.270 1.00 0.00 H new ATOM 177 N SER A 15 -11.722 -5.464 8.625 1.00 0.00 N ATOM 178 CA SER A 15 -12.658 -6.411 9.219 1.00 0.00 C ATOM 179 C SER A 15 -13.751 -5.681 9.994 1.00 0.00 C ATOM 180 O SER A 15 -14.031 -6.006 11.147 1.00 0.00 O ATOM 181 CB SER A 15 -11.919 -7.378 10.146 1.00 0.00 C ATOM 182 OG SER A 15 -11.399 -8.480 9.422 1.00 0.00 O ATOM 0 H SER A 15 -11.375 -5.735 7.705 1.00 0.00 H new ATOM 0 HA SER A 15 -13.124 -6.977 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.107 -6.854 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.598 -7.735 10.920 1.00 0.00 H new ATOM 0 HG SER A 15 -10.930 -9.083 10.036 1.00 0.00 H new ATOM 188 N ASN A 16 -14.365 -4.693 9.351 1.00 0.00 N ATOM 189 CA ASN A 16 -15.427 -3.916 9.979 1.00 0.00 C ATOM 190 C ASN A 16 -15.016 -3.464 11.377 1.00 0.00 C ATOM 191 O ASN A 16 -15.795 -3.561 12.325 1.00 0.00 O ATOM 192 CB ASN A 16 -16.714 -4.740 10.055 1.00 0.00 C ATOM 193 CG ASN A 16 -16.442 -6.227 10.177 1.00 0.00 C ATOM 194 OD1 ASN A 16 -16.145 -6.898 9.188 1.00 0.00 O ATOM 195 ND2 ASN A 16 -16.543 -6.749 11.393 1.00 0.00 N ATOM 0 H ASN A 16 -14.145 -4.412 8.396 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.606 -3.031 9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.304 -4.410 10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.314 -4.555 9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -16.372 -7.744 11.537 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -16.792 -6.155 12.184 1.00 0.00 H new ATOM 202 N GLU A 17 -13.788 -2.969 11.496 1.00 0.00 N ATOM 203 CA GLU A 17 -13.274 -2.502 12.779 1.00 0.00 C ATOM 204 C GLU A 17 -12.451 -1.229 12.604 1.00 0.00 C ATOM 205 O GLU A 17 -12.254 -0.751 11.487 1.00 0.00 O ATOM 206 CB GLU A 17 -12.420 -3.588 13.437 1.00 0.00 C ATOM 207 CG GLU A 17 -13.233 -4.629 14.188 1.00 0.00 C ATOM 208 CD GLU A 17 -12.480 -5.219 15.365 1.00 0.00 C ATOM 209 OE1 GLU A 17 -12.262 -4.491 16.356 1.00 0.00 O ATOM 210 OE2 GLU A 17 -12.110 -6.410 15.295 1.00 0.00 O ATOM 0 H GLU A 17 -13.131 -2.881 10.721 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.125 -2.279 13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.827 -4.086 12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.719 -3.119 14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.158 -4.175 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.514 -5.429 13.503 1.00 0.00 H new ATOM 217 N LYS A 18 -11.973 -0.683 13.717 1.00 0.00 N ATOM 218 CA LYS A 18 -11.171 0.534 13.690 1.00 0.00 C ATOM 219 C LYS A 18 -9.836 0.322 14.397 1.00 0.00 C ATOM 220 O LYS A 18 -9.796 -0.015 15.581 1.00 0.00 O ATOM 221 CB LYS A 18 -11.932 1.686 14.350 1.00 0.00 C ATOM 222 CG LYS A 18 -11.482 3.059 13.882 1.00 0.00 C ATOM 223 CD LYS A 18 -12.284 4.165 14.547 1.00 0.00 C ATOM 224 CE LYS A 18 -13.693 4.250 13.981 1.00 0.00 C ATOM 225 NZ LYS A 18 -14.633 4.911 14.928 1.00 0.00 N ATOM 0 H LYS A 18 -12.128 -1.065 14.650 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.974 0.786 12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.996 1.572 14.145 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.807 1.621 15.431 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.423 3.192 14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.591 3.129 12.800 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.333 3.985 15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.776 5.119 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.674 4.804 13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.053 3.247 13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.582 4.949 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.671 4.369 15.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.303 5.877 15.127 1.00 0.00 H new ATOM 239 N HIS A 19 -8.745 0.521 13.665 1.00 0.00 N ATOM 240 CA HIS A 19 -7.408 0.354 14.223 1.00 0.00 C ATOM 241 C HIS A 19 -6.526 1.553 13.890 1.00 0.00 C ATOM 242 O HIS A 19 -6.130 1.745 12.740 1.00 0.00 O ATOM 243 CB HIS A 19 -6.767 -0.928 13.691 1.00 0.00 C ATOM 244 CG HIS A 19 -7.618 -2.146 13.880 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.731 -2.806 15.086 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.402 -2.823 13.008 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.545 -3.837 14.947 1.00 0.00 C ATOM 248 NE2 HIS A 19 -8.967 -3.869 13.696 1.00 0.00 N ATOM 0 H HIS A 19 -8.760 0.798 12.684 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.500 0.283 15.307 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.554 -0.805 12.629 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.811 -1.081 14.192 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.555 -2.585 11.966 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.819 -4.535 15.724 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.608 -4.559 13.304 1.00 0.00 H new ATOM 257 N ASP A 20 -6.223 2.358 14.903 1.00 0.00 N ATOM 258 CA ASP A 20 -5.388 3.539 14.718 1.00 0.00 C ATOM 259 C ASP A 20 -3.914 3.154 14.628 1.00 0.00 C ATOM 260 O ASP A 20 -3.392 2.449 15.493 1.00 0.00 O ATOM 261 CB ASP A 20 -5.601 4.526 15.867 1.00 0.00 C ATOM 262 CG ASP A 20 -7.055 4.924 16.026 1.00 0.00 C ATOM 263 OD1 ASP A 20 -7.934 4.070 15.785 1.00 0.00 O ATOM 264 OD2 ASP A 20 -7.314 6.089 16.392 1.00 0.00 O ATOM 0 H ASP A 20 -6.543 2.214 15.861 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.678 4.016 13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.246 4.080 16.796 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.000 5.418 15.692 1.00 0.00 H new ATOM 269 N LEU A 21 -3.249 3.619 13.577 1.00 0.00 N ATOM 270 CA LEU A 21 -1.835 3.323 13.373 1.00 0.00 C ATOM 271 C LEU A 21 -1.034 4.605 13.169 1.00 0.00 C ATOM 272 O LEU A 21 -1.544 5.589 12.634 1.00 0.00 O ATOM 273 CB LEU A 21 -1.656 2.399 12.167 1.00 0.00 C ATOM 274 CG LEU A 21 -2.618 1.212 12.082 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.553 0.571 10.705 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.301 0.190 13.164 1.00 0.00 C ATOM 0 H LEU A 21 -3.666 4.203 12.852 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.462 2.822 14.266 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.763 2.994 11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.636 2.014 12.177 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.632 1.578 12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.244 -0.271 10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.830 1.305 9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.539 0.219 10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.995 -0.647 13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.281 -0.172 13.035 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.400 0.656 14.145 1.00 0.00 H new ATOM 288 N HIS A 22 0.224 4.585 13.597 1.00 0.00 N ATOM 289 CA HIS A 22 1.097 5.745 13.459 1.00 0.00 C ATOM 290 C HIS A 22 2.130 5.519 12.359 1.00 0.00 C ATOM 291 O HIS A 22 3.152 4.867 12.576 1.00 0.00 O ATOM 292 CB HIS A 22 1.802 6.040 14.783 1.00 0.00 C ATOM 293 CG HIS A 22 2.884 7.069 14.670 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.976 7.109 15.510 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.038 8.100 13.806 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.755 8.120 15.170 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.208 8.737 14.138 1.00 0.00 N ATOM 0 H HIS A 22 0.662 3.778 14.042 1.00 0.00 H new ATOM 0 HA HIS A 22 0.481 6.602 13.185 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.064 6.379 15.510 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.230 5.116 15.171 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.155 6.459 16.275 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.366 8.371 13.005 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.681 8.395 15.653 1.00 0.00 H new ATOM 306 N VAL A 23 1.856 6.061 11.177 1.00 0.00 N ATOM 307 CA VAL A 23 2.762 5.920 10.042 1.00 0.00 C ATOM 308 C VAL A 23 4.013 6.771 10.228 1.00 0.00 C ATOM 309 O VAL A 23 3.932 7.937 10.615 1.00 0.00 O ATOM 310 CB VAL A 23 2.075 6.317 8.723 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.920 5.893 7.531 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.683 5.709 8.643 1.00 0.00 C ATOM 0 H VAL A 23 1.014 6.602 10.980 1.00 0.00 H new ATOM 0 HA VAL A 23 3.046 4.869 9.992 1.00 0.00 H new ATOM 0 HB VAL A 23 1.975 7.402 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.418 6.182 6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.893 6.381 7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.055 4.812 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.212 6.000 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.757 4.623 8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.081 6.068 9.478 1.00 0.00 H new ATOM 322 N THR A 24 5.171 6.181 9.949 1.00 0.00 N ATOM 323 CA THR A 24 6.440 6.884 10.085 1.00 0.00 C ATOM 324 C THR A 24 7.342 6.629 8.883 1.00 0.00 C ATOM 325 O THR A 24 7.297 5.558 8.278 1.00 0.00 O ATOM 326 CB THR A 24 7.181 6.462 11.368 1.00 0.00 C ATOM 327 OG1 THR A 24 7.299 5.036 11.418 1.00 0.00 O ATOM 328 CG2 THR A 24 6.448 6.959 12.605 1.00 0.00 C ATOM 0 H THR A 24 5.256 5.217 9.627 1.00 0.00 H new ATOM 0 HA THR A 24 6.208 7.947 10.142 1.00 0.00 H new ATOM 0 HB THR A 24 8.175 6.908 11.351 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.773 4.775 12.235 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.990 6.649 13.498 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.385 8.047 12.578 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.443 6.538 12.626 1.00 0.00 H new ATOM 336 N SER A 25 8.161 7.619 8.543 1.00 0.00 N ATOM 337 CA SER A 25 9.072 7.503 7.410 1.00 0.00 C ATOM 338 C SER A 25 9.927 6.245 7.528 1.00 0.00 C ATOM 339 O SER A 25 9.877 5.541 8.536 1.00 0.00 O ATOM 340 CB SER A 25 9.970 8.738 7.322 1.00 0.00 C ATOM 341 OG SER A 25 10.867 8.795 8.418 1.00 0.00 O ATOM 0 H SER A 25 8.212 8.511 9.036 1.00 0.00 H new ATOM 0 HA SER A 25 8.475 7.432 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.532 8.717 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.355 9.638 7.304 1.00 0.00 H new ATOM 0 HG SER A 25 11.431 9.592 8.338 1.00 0.00 H new ATOM 347 N GLN A 26 10.711 5.970 6.491 1.00 0.00 N ATOM 348 CA GLN A 26 11.576 4.797 6.477 1.00 0.00 C ATOM 349 C GLN A 26 13.010 5.174 6.837 1.00 0.00 C ATOM 350 O GLN A 26 13.961 4.673 6.238 1.00 0.00 O ATOM 351 CB GLN A 26 11.542 4.127 5.102 1.00 0.00 C ATOM 352 CG GLN A 26 10.159 3.647 4.694 1.00 0.00 C ATOM 353 CD GLN A 26 9.828 2.278 5.255 1.00 0.00 C ATOM 354 OE1 GLN A 26 10.376 1.266 4.817 1.00 0.00 O ATOM 355 NE2 GLN A 26 8.927 2.239 6.229 1.00 0.00 N ATOM 0 H GLN A 26 10.765 6.544 5.649 1.00 0.00 H new ATOM 0 HA GLN A 26 11.205 4.095 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.908 4.831 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.226 3.279 5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.414 4.365 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.096 3.615 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.498 3.102 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.664 1.346 6.645 1.00 0.00 H new ATOM 364 N GLN A 27 13.155 6.060 7.817 1.00 0.00 N ATOM 365 CA GLN A 27 14.473 6.504 8.255 1.00 0.00 C ATOM 366 C GLN A 27 15.327 6.930 7.065 1.00 0.00 C ATOM 367 O GLN A 27 16.545 6.757 7.068 1.00 0.00 O ATOM 368 CB GLN A 27 15.178 5.391 9.031 1.00 0.00 C ATOM 369 CG GLN A 27 16.162 5.904 10.071 1.00 0.00 C ATOM 370 CD GLN A 27 17.536 6.176 9.491 1.00 0.00 C ATOM 371 OE1 GLN A 27 17.887 7.321 9.207 1.00 0.00 O ATOM 372 NE2 GLN A 27 18.322 5.121 9.311 1.00 0.00 N ATOM 0 H GLN A 27 12.377 6.484 8.322 1.00 0.00 H new ATOM 0 HA GLN A 27 14.339 7.365 8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.428 4.773 9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.707 4.748 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 27 15.771 6.820 10.514 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.249 5.173 10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.990 4.189 9.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 19.258 5.242 8.923 1.00 0.00 H new ATOM 381 N GLY A 28 14.679 7.487 6.046 1.00 0.00 N ATOM 382 CA GLY A 28 15.395 7.928 4.863 1.00 0.00 C ATOM 383 C GLY A 28 14.723 9.105 4.184 1.00 0.00 C ATOM 384 O GLY A 28 15.362 10.122 3.914 1.00 0.00 O ATOM 0 H GLY A 28 13.671 7.641 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.412 8.205 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.470 7.100 4.158 1.00 0.00 H new ATOM 388 N SER A 29 13.431 8.967 3.906 1.00 0.00 N ATOM 389 CA SER A 29 12.673 10.025 3.248 1.00 0.00 C ATOM 390 C SER A 29 12.119 11.012 4.271 1.00 0.00 C ATOM 391 O SER A 29 11.757 10.632 5.385 1.00 0.00 O ATOM 392 CB SER A 29 11.528 9.428 2.428 1.00 0.00 C ATOM 393 OG SER A 29 11.996 8.930 1.187 1.00 0.00 O ATOM 0 H SER A 29 12.887 8.133 4.126 1.00 0.00 H new ATOM 0 HA SER A 29 13.348 10.560 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.054 8.624 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.766 10.188 2.255 1.00 0.00 H new ATOM 0 HG SER A 29 11.246 8.552 0.682 1.00 0.00 H new ATOM 399 N SER A 30 12.056 12.283 3.885 1.00 0.00 N ATOM 400 CA SER A 30 11.551 13.327 4.769 1.00 0.00 C ATOM 401 C SER A 30 10.116 13.030 5.194 1.00 0.00 C ATOM 402 O SER A 30 9.729 13.291 6.333 1.00 0.00 O ATOM 403 CB SER A 30 11.618 14.688 4.075 1.00 0.00 C ATOM 404 OG SER A 30 12.954 15.154 3.993 1.00 0.00 O ATOM 0 H SER A 30 12.349 12.614 2.966 1.00 0.00 H new ATOM 0 HA SER A 30 12.178 13.350 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.195 14.610 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.011 15.409 4.623 1.00 0.00 H new ATOM 0 HG SER A 30 12.970 16.025 3.544 1.00 0.00 H new ATOM 410 N GLU A 31 9.332 12.483 4.270 1.00 0.00 N ATOM 411 CA GLU A 31 7.940 12.151 4.550 1.00 0.00 C ATOM 412 C GLU A 31 7.669 10.673 4.285 1.00 0.00 C ATOM 413 O GLU A 31 8.226 10.068 3.368 1.00 0.00 O ATOM 414 CB GLU A 31 7.007 13.013 3.696 1.00 0.00 C ATOM 415 CG GLU A 31 7.338 12.985 2.214 1.00 0.00 C ATOM 416 CD GLU A 31 6.896 14.243 1.493 1.00 0.00 C ATOM 417 OE1 GLU A 31 7.292 15.346 1.926 1.00 0.00 O ATOM 418 OE2 GLU A 31 6.154 14.126 0.495 1.00 0.00 O ATOM 0 H GLU A 31 9.637 12.261 3.322 1.00 0.00 H new ATOM 0 HA GLU A 31 7.749 12.354 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.981 12.672 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.052 14.043 4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.413 12.858 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.859 12.120 1.755 1.00 0.00 H new ATOM 425 N PRO A 32 6.793 10.076 5.107 1.00 0.00 N ATOM 426 CA PRO A 32 6.428 8.662 4.983 1.00 0.00 C ATOM 427 C PRO A 32 5.595 8.386 3.736 1.00 0.00 C ATOM 428 O PRO A 32 4.824 9.237 3.291 1.00 0.00 O ATOM 429 CB PRO A 32 5.605 8.396 6.246 1.00 0.00 C ATOM 430 CG PRO A 32 5.053 9.727 6.626 1.00 0.00 C ATOM 431 CD PRO A 32 6.092 10.736 6.221 1.00 0.00 C ATOM 0 HA PRO A 32 7.305 8.021 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.808 7.677 6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.224 7.982 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.107 9.916 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.857 9.777 7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.638 11.677 5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.770 10.966 7.043 1.00 0.00 H new ATOM 439 N VAL A 33 5.754 7.191 3.176 1.00 0.00 N ATOM 440 CA VAL A 33 5.015 6.803 1.980 1.00 0.00 C ATOM 441 C VAL A 33 4.105 5.612 2.260 1.00 0.00 C ATOM 442 O VAL A 33 4.057 5.103 3.380 1.00 0.00 O ATOM 443 CB VAL A 33 5.967 6.446 0.823 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.752 7.672 0.380 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.906 5.322 1.233 1.00 0.00 C ATOM 0 H VAL A 33 6.388 6.475 3.531 1.00 0.00 H new ATOM 0 HA VAL A 33 4.408 7.661 1.690 1.00 0.00 H new ATOM 0 HB VAL A 33 5.371 6.101 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.419 7.401 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.061 8.445 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.339 8.050 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.571 5.083 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.497 5.637 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.323 4.439 1.497 1.00 0.00 H new ATOM 455 N VAL A 34 3.384 5.172 1.234 1.00 0.00 N ATOM 456 CA VAL A 34 2.475 4.040 1.368 1.00 0.00 C ATOM 457 C VAL A 34 3.209 2.804 1.877 1.00 0.00 C ATOM 458 O VAL A 34 2.702 2.078 2.732 1.00 0.00 O ATOM 459 CB VAL A 34 1.795 3.704 0.028 1.00 0.00 C ATOM 460 CG1 VAL A 34 1.129 2.338 0.094 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.786 4.781 -0.342 1.00 0.00 C ATOM 0 H VAL A 34 3.412 5.582 0.301 1.00 0.00 H new ATOM 0 HA VAL A 34 1.712 4.330 2.091 1.00 0.00 H new ATOM 0 HB VAL A 34 2.559 3.671 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.654 2.118 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.879 1.577 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.376 2.338 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.315 4.527 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.024 4.848 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.295 5.740 -0.434 1.00 0.00 H new ATOM 471 N GLN A 35 4.404 2.571 1.345 1.00 0.00 N ATOM 472 CA GLN A 35 5.208 1.423 1.746 1.00 0.00 C ATOM 473 C GLN A 35 5.149 1.217 3.256 1.00 0.00 C ATOM 474 O GLN A 35 4.912 0.107 3.732 1.00 0.00 O ATOM 475 CB GLN A 35 6.660 1.609 1.301 1.00 0.00 C ATOM 476 CG GLN A 35 7.537 0.396 1.566 1.00 0.00 C ATOM 477 CD GLN A 35 6.919 -0.893 1.063 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.735 -1.080 -0.140 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.593 -1.793 1.984 1.00 0.00 N ATOM 0 H GLN A 35 4.837 3.162 0.635 1.00 0.00 H new ATOM 0 HA GLN A 35 4.798 0.537 1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.679 1.835 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.082 2.472 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.505 0.541 1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.721 0.312 2.637 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.763 -1.598 2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.173 -2.680 1.705 1.00 0.00 H new ATOM 488 N ASP A 36 5.366 2.294 4.003 1.00 0.00 N ATOM 489 CA ASP A 36 5.337 2.232 5.460 1.00 0.00 C ATOM 490 C ASP A 36 3.952 1.831 5.959 1.00 0.00 C ATOM 491 O ASP A 36 3.820 0.967 6.827 1.00 0.00 O ATOM 492 CB ASP A 36 5.737 3.582 6.057 1.00 0.00 C ATOM 493 CG ASP A 36 5.876 3.529 7.566 1.00 0.00 C ATOM 494 OD1 ASP A 36 6.926 3.056 8.049 1.00 0.00 O ATOM 495 OD2 ASP A 36 4.935 3.962 8.264 1.00 0.00 O ATOM 0 H ASP A 36 5.564 3.220 3.624 1.00 0.00 H new ATOM 0 HA ASP A 36 6.053 1.475 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.682 3.904 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.990 4.330 5.790 1.00 0.00 H new ATOM 500 N LEU A 37 2.923 2.465 5.407 1.00 0.00 N ATOM 501 CA LEU A 37 1.548 2.175 5.797 1.00 0.00 C ATOM 502 C LEU A 37 1.236 0.691 5.633 1.00 0.00 C ATOM 503 O LEU A 37 0.657 0.066 6.521 1.00 0.00 O ATOM 504 CB LEU A 37 0.574 3.007 4.961 1.00 0.00 C ATOM 505 CG LEU A 37 -0.858 2.478 4.873 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.482 2.395 6.257 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.697 3.359 3.959 1.00 0.00 C ATOM 0 H LEU A 37 3.015 3.183 4.688 1.00 0.00 H new ATOM 0 HA LEU A 37 1.432 2.438 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.543 4.015 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.973 3.088 3.950 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.829 1.474 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.501 2.017 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.894 1.722 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.499 3.387 6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.713 2.967 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.719 4.375 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.261 3.366 2.960 1.00 0.00 H new ATOM 519 N ALA A 38 1.627 0.132 4.492 1.00 0.00 N ATOM 520 CA ALA A 38 1.393 -1.279 4.213 1.00 0.00 C ATOM 521 C ALA A 38 2.060 -2.164 5.261 1.00 0.00 C ATOM 522 O ALA A 38 1.490 -3.164 5.695 1.00 0.00 O ATOM 523 CB ALA A 38 1.897 -1.633 2.822 1.00 0.00 C ATOM 0 H ALA A 38 2.107 0.635 3.746 1.00 0.00 H new ATOM 0 HA ALA A 38 0.319 -1.459 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.716 -2.690 2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.371 -1.032 2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.966 -1.431 2.760 1.00 0.00 H new ATOM 529 N GLN A 39 3.271 -1.788 5.661 1.00 0.00 N ATOM 530 CA GLN A 39 4.016 -2.549 6.657 1.00 0.00 C ATOM 531 C GLN A 39 3.383 -2.405 8.037 1.00 0.00 C ATOM 532 O GLN A 39 3.255 -3.380 8.777 1.00 0.00 O ATOM 533 CB GLN A 39 5.473 -2.084 6.700 1.00 0.00 C ATOM 534 CG GLN A 39 6.372 -2.810 5.712 1.00 0.00 C ATOM 535 CD GLN A 39 6.925 -4.107 6.270 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.939 -4.113 6.968 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.259 -5.214 5.964 1.00 0.00 N ATOM 0 H GLN A 39 3.756 -0.962 5.311 1.00 0.00 H new ATOM 0 HA GLN A 39 3.986 -3.600 6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.511 -1.014 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.863 -2.229 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.810 -3.021 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.199 -2.158 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.423 -5.162 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.583 -6.117 6.311 1.00 0.00 H new ATOM 546 N VAL A 40 2.990 -1.182 8.378 1.00 0.00 N ATOM 547 CA VAL A 40 2.370 -0.910 9.669 1.00 0.00 C ATOM 548 C VAL A 40 1.152 -1.800 9.892 1.00 0.00 C ATOM 549 O VAL A 40 0.872 -2.216 11.017 1.00 0.00 O ATOM 550 CB VAL A 40 1.942 0.565 9.787 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.152 0.792 11.066 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.158 1.478 9.732 1.00 0.00 C ATOM 0 H VAL A 40 3.090 -0.363 7.778 1.00 0.00 H new ATOM 0 HA VAL A 40 3.119 -1.125 10.431 1.00 0.00 H new ATOM 0 HB VAL A 40 1.296 0.806 8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.859 1.840 11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.260 0.165 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.770 0.534 11.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.837 2.516 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.831 1.238 10.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.678 1.335 8.785 1.00 0.00 H new ATOM 562 N VAL A 41 0.432 -2.090 8.813 1.00 0.00 N ATOM 563 CA VAL A 41 -0.755 -2.933 8.890 1.00 0.00 C ATOM 564 C VAL A 41 -0.382 -4.383 9.176 1.00 0.00 C ATOM 565 O VAL A 41 -0.825 -4.965 10.166 1.00 0.00 O ATOM 566 CB VAL A 41 -1.572 -2.872 7.586 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.627 -3.968 7.565 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.212 -1.502 7.423 1.00 0.00 C ATOM 0 H VAL A 41 0.650 -1.753 7.875 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.363 -2.549 9.709 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.897 -3.035 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.194 -3.909 6.636 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.142 -4.942 7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.302 -3.840 8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.786 -1.476 6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.875 -1.308 8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.434 -0.739 7.390 1.00 0.00 H new ATOM 578 N GLU A 42 0.437 -4.961 8.303 1.00 0.00 N ATOM 579 CA GLU A 42 0.870 -6.344 8.462 1.00 0.00 C ATOM 580 C GLU A 42 1.685 -6.516 9.740 1.00 0.00 C ATOM 581 O GLU A 42 1.807 -7.621 10.267 1.00 0.00 O ATOM 582 CB GLU A 42 1.698 -6.785 7.253 1.00 0.00 C ATOM 583 CG GLU A 42 2.246 -8.197 7.373 1.00 0.00 C ATOM 584 CD GLU A 42 3.529 -8.258 8.180 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.250 -7.239 8.224 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.812 -9.324 8.765 1.00 0.00 O ATOM 0 H GLU A 42 0.814 -4.493 7.479 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.020 -6.970 8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.081 -6.719 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.529 -6.092 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.496 -8.835 7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.429 -8.598 6.376 1.00 0.00 H new ATOM 593 N GLU A 43 2.241 -5.413 10.233 1.00 0.00 N ATOM 594 CA GLU A 43 3.045 -5.442 11.449 1.00 0.00 C ATOM 595 C GLU A 43 2.176 -5.214 12.683 1.00 0.00 C ATOM 596 O GLU A 43 2.400 -5.814 13.734 1.00 0.00 O ATOM 597 CB GLU A 43 4.146 -4.381 11.384 1.00 0.00 C ATOM 598 CG GLU A 43 5.219 -4.680 10.351 1.00 0.00 C ATOM 599 CD GLU A 43 6.142 -5.805 10.778 1.00 0.00 C ATOM 600 OE1 GLU A 43 5.768 -6.982 10.592 1.00 0.00 O ATOM 601 OE2 GLU A 43 7.238 -5.508 11.297 1.00 0.00 O ATOM 0 H GLU A 43 2.149 -4.490 9.809 1.00 0.00 H new ATOM 0 HA GLU A 43 3.504 -6.428 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.695 -3.415 11.158 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.613 -4.293 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.745 -4.943 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.807 -3.780 10.173 1.00 0.00 H new ATOM 608 N VAL A 44 1.182 -4.342 12.546 1.00 0.00 N ATOM 609 CA VAL A 44 0.278 -4.034 13.648 1.00 0.00 C ATOM 610 C VAL A 44 -0.972 -4.904 13.592 1.00 0.00 C ATOM 611 O VAL A 44 -1.256 -5.660 14.522 1.00 0.00 O ATOM 612 CB VAL A 44 -0.140 -2.552 13.633 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.177 -2.279 14.712 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.075 -1.654 13.810 1.00 0.00 C ATOM 0 H VAL A 44 0.982 -3.836 11.683 1.00 0.00 H new ATOM 0 HA VAL A 44 0.820 -4.241 14.570 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.590 -2.329 12.666 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.460 -1.227 14.686 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.058 -2.896 14.535 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.757 -2.518 15.689 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.761 -0.610 13.797 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.556 -1.876 14.762 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.780 -1.831 12.998 1.00 0.00 H new ATOM 624 N ILE A 45 -1.716 -4.793 12.496 1.00 0.00 N ATOM 625 CA ILE A 45 -2.935 -5.571 12.319 1.00 0.00 C ATOM 626 C ILE A 45 -2.632 -7.064 12.268 1.00 0.00 C ATOM 627 O ILE A 45 -3.098 -7.832 13.108 1.00 0.00 O ATOM 628 CB ILE A 45 -3.680 -5.165 11.033 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.838 -3.645 10.967 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.038 -5.848 10.970 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.676 -3.175 9.799 1.00 0.00 C ATOM 0 H ILE A 45 -1.495 -4.172 11.718 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.571 -5.361 13.179 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.093 -5.487 10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.292 -3.294 11.894 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.851 -3.188 10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.552 -5.551 10.056 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.902 -6.929 10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.634 -5.553 11.834 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.745 -2.087 9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.212 -3.495 8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.676 -3.603 9.873 1.00 0.00 H new ATOM 643 N GLY A 46 -1.845 -7.469 11.276 1.00 0.00 N ATOM 644 CA GLY A 46 -1.491 -8.870 11.134 1.00 0.00 C ATOM 645 C GLY A 46 -1.892 -9.436 9.786 1.00 0.00 C ATOM 646 O GLY A 46 -1.809 -10.643 9.562 1.00 0.00 O ATOM 0 H GLY A 46 -1.446 -6.852 10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.415 -8.985 11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.973 -9.445 11.924 1.00 0.00 H new ATOM 650 N VAL A 47 -2.329 -8.561 8.885 1.00 0.00 N ATOM 651 CA VAL A 47 -2.744 -8.981 7.552 1.00 0.00 C ATOM 652 C VAL A 47 -1.652 -8.708 6.524 1.00 0.00 C ATOM 653 O VAL A 47 -1.056 -7.631 6.486 1.00 0.00 O ATOM 654 CB VAL A 47 -4.036 -8.263 7.115 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.321 -8.526 5.645 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.207 -8.701 7.981 1.00 0.00 C ATOM 0 H VAL A 47 -2.405 -7.558 9.054 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.931 -10.054 7.602 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.898 -7.190 7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.237 -8.011 5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.491 -8.158 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.440 -9.597 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.111 -8.184 7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.350 -9.777 7.883 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.001 -8.456 9.023 1.00 0.00 H new ATOM 666 N PRO A 48 -1.382 -9.705 5.669 1.00 0.00 N ATOM 667 CA PRO A 48 -0.360 -9.597 4.624 1.00 0.00 C ATOM 668 C PRO A 48 -0.763 -8.626 3.518 1.00 0.00 C ATOM 669 O PRO A 48 -1.948 -8.445 3.241 1.00 0.00 O ATOM 670 CB PRO A 48 -0.262 -11.022 4.075 1.00 0.00 C ATOM 671 CG PRO A 48 -1.588 -11.633 4.367 1.00 0.00 C ATOM 672 CD PRO A 48 -2.054 -11.016 5.657 1.00 0.00 C ATOM 0 HA PRO A 48 0.582 -9.210 5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.054 -11.020 3.005 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.544 -11.577 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.295 -11.434 3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.507 -12.716 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.139 -10.912 5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.770 -11.621 6.518 1.00 0.00 H new ATOM 680 N GLN A 49 0.231 -8.007 2.890 1.00 0.00 N ATOM 681 CA GLN A 49 -0.021 -7.055 1.815 1.00 0.00 C ATOM 682 C GLN A 49 -0.754 -7.724 0.656 1.00 0.00 C ATOM 683 O GLN A 49 -1.212 -7.055 -0.270 1.00 0.00 O ATOM 684 CB GLN A 49 1.294 -6.450 1.321 1.00 0.00 C ATOM 685 CG GLN A 49 2.097 -5.765 2.415 1.00 0.00 C ATOM 686 CD GLN A 49 3.309 -5.031 1.877 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.505 -4.937 0.665 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.132 -4.506 2.777 1.00 0.00 N ATOM 0 H GLN A 49 1.218 -8.147 3.107 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.653 -6.259 2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.902 -7.237 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.079 -5.728 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.456 -5.060 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.421 -6.509 3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.931 -4.607 3.772 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.965 -4.001 2.473 1.00 0.00 H new ATOM 697 N SER A 50 -0.859 -9.048 0.715 1.00 0.00 N ATOM 698 CA SER A 50 -1.532 -9.808 -0.332 1.00 0.00 C ATOM 699 C SER A 50 -3.006 -10.010 0.005 1.00 0.00 C ATOM 700 O SER A 50 -3.787 -10.472 -0.826 1.00 0.00 O ATOM 701 CB SER A 50 -0.850 -11.164 -0.525 1.00 0.00 C ATOM 702 OG SER A 50 0.437 -11.012 -1.097 1.00 0.00 O ATOM 0 H SER A 50 -0.487 -9.616 1.476 1.00 0.00 H new ATOM 0 HA SER A 50 -1.465 -9.240 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.766 -11.672 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.464 -11.795 -1.167 1.00 0.00 H new ATOM 0 HG SER A 50 0.852 -11.893 -1.208 1.00 0.00 H new ATOM 708 N PHE A 51 -3.379 -9.660 1.232 1.00 0.00 N ATOM 709 CA PHE A 51 -4.759 -9.803 1.681 1.00 0.00 C ATOM 710 C PHE A 51 -5.373 -8.441 1.993 1.00 0.00 C ATOM 711 O PHE A 51 -6.576 -8.241 1.831 1.00 0.00 O ATOM 712 CB PHE A 51 -4.824 -10.700 2.919 1.00 0.00 C ATOM 713 CG PHE A 51 -4.689 -12.163 2.606 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.555 -12.648 1.975 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.696 -13.053 2.943 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.427 -13.994 1.687 1.00 0.00 C ATOM 717 CE2 PHE A 51 -5.574 -14.399 2.657 1.00 0.00 C ATOM 718 CZ PHE A 51 -4.439 -14.871 2.027 1.00 0.00 C ATOM 0 H PHE A 51 -2.745 -9.276 1.933 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.331 -10.264 0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.033 -10.410 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.772 -10.532 3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.762 -11.967 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.586 -12.690 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.537 -14.360 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.366 -15.082 2.926 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.343 -15.923 1.801 1.00 0.00 H new ATOM 728 N GLN A 52 -4.537 -7.511 2.443 1.00 0.00 N ATOM 729 CA GLN A 52 -4.998 -6.169 2.779 1.00 0.00 C ATOM 730 C GLN A 52 -5.059 -5.287 1.537 1.00 0.00 C ATOM 731 O GLN A 52 -4.163 -5.322 0.692 1.00 0.00 O ATOM 732 CB GLN A 52 -4.076 -5.537 3.823 1.00 0.00 C ATOM 733 CG GLN A 52 -2.637 -5.391 3.355 1.00 0.00 C ATOM 734 CD GLN A 52 -1.938 -4.200 3.980 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.399 -3.064 3.864 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.819 -4.453 4.648 1.00 0.00 N ATOM 0 H GLN A 52 -3.538 -7.662 2.583 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.003 -6.251 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.464 -4.554 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.095 -6.144 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.086 -6.300 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.620 -5.289 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.473 -5.410 4.719 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.306 -3.691 5.090 1.00 0.00 H new ATOM 745 N LYS A 53 -6.120 -4.495 1.430 1.00 0.00 N ATOM 746 CA LYS A 53 -6.299 -3.602 0.291 1.00 0.00 C ATOM 747 C LYS A 53 -6.614 -2.184 0.756 1.00 0.00 C ATOM 748 O LYS A 53 -7.656 -1.936 1.363 1.00 0.00 O ATOM 749 CB LYS A 53 -7.421 -4.115 -0.614 1.00 0.00 C ATOM 750 CG LYS A 53 -7.652 -3.254 -1.844 1.00 0.00 C ATOM 751 CD LYS A 53 -8.989 -3.561 -2.497 1.00 0.00 C ATOM 752 CE LYS A 53 -8.915 -4.817 -3.353 1.00 0.00 C ATOM 753 NZ LYS A 53 -8.466 -4.517 -4.740 1.00 0.00 N ATOM 0 H LYS A 53 -6.870 -4.453 2.120 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.367 -3.582 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.185 -5.131 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.345 -4.167 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.616 -2.201 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.849 -3.421 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.751 -3.688 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.297 -2.716 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.228 -5.529 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.895 -5.294 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.429 -5.398 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.135 -3.858 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.520 -4.085 -4.713 1.00 0.00 H new ATOM 767 N LEU A 54 -5.707 -1.257 0.466 1.00 0.00 N ATOM 768 CA LEU A 54 -5.889 0.138 0.853 1.00 0.00 C ATOM 769 C LEU A 54 -6.848 0.846 -0.098 1.00 0.00 C ATOM 770 O LEU A 54 -6.762 0.685 -1.316 1.00 0.00 O ATOM 771 CB LEU A 54 -4.542 0.863 0.871 1.00 0.00 C ATOM 772 CG LEU A 54 -3.800 0.867 2.208 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.671 1.471 3.300 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.371 -0.543 2.585 1.00 0.00 C ATOM 0 H LEU A 54 -4.839 -1.446 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.319 0.158 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.896 0.406 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.704 1.897 0.565 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.906 1.481 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.127 1.466 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.928 2.497 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.584 0.884 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.845 -0.520 3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.251 -1.180 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.710 -0.940 1.815 1.00 0.00 H new ATOM 786 N ILE A 55 -7.759 1.633 0.465 1.00 0.00 N ATOM 787 CA ILE A 55 -8.732 2.368 -0.333 1.00 0.00 C ATOM 788 C ILE A 55 -9.076 3.705 0.315 1.00 0.00 C ATOM 789 O ILE A 55 -9.522 3.755 1.461 1.00 0.00 O ATOM 790 CB ILE A 55 -10.026 1.558 -0.531 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.697 0.130 -0.971 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.926 2.238 -1.552 1.00 0.00 C ATOM 793 CD1 ILE A 55 -10.898 -0.790 -0.985 1.00 0.00 C ATOM 0 H ILE A 55 -7.843 1.778 1.471 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.273 2.545 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.557 1.512 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.259 0.158 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.941 -0.282 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.837 1.653 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.183 3.238 -1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.404 2.311 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.590 -1.785 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.324 -0.848 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.646 -0.401 -1.675 1.00 0.00 H new ATOM 805 N PHE A 56 -8.868 4.787 -0.428 1.00 0.00 N ATOM 806 CA PHE A 56 -9.157 6.126 0.073 1.00 0.00 C ATOM 807 C PHE A 56 -9.991 6.914 -0.932 1.00 0.00 C ATOM 808 O PHE A 56 -9.649 6.997 -2.112 1.00 0.00 O ATOM 809 CB PHE A 56 -7.856 6.874 0.371 1.00 0.00 C ATOM 810 CG PHE A 56 -8.068 8.197 1.049 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.406 8.257 2.392 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.928 9.382 0.345 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.602 9.473 3.018 1.00 0.00 C ATOM 814 CE2 PHE A 56 -8.122 10.602 0.965 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.459 10.647 2.304 1.00 0.00 C ATOM 0 H PHE A 56 -8.500 4.763 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.730 6.026 0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.223 6.249 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.317 7.035 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.517 7.343 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.664 9.352 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.867 9.506 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.010 11.518 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.610 11.599 2.792 1.00 0.00 H new ATOM 825 N LYS A 57 -11.089 7.493 -0.456 1.00 0.00 N ATOM 826 CA LYS A 57 -11.973 8.276 -1.311 1.00 0.00 C ATOM 827 C LYS A 57 -12.466 7.445 -2.491 1.00 0.00 C ATOM 828 O LYS A 57 -12.803 7.984 -3.544 1.00 0.00 O ATOM 829 CB LYS A 57 -11.251 9.525 -1.819 1.00 0.00 C ATOM 830 CG LYS A 57 -11.351 10.712 -0.877 1.00 0.00 C ATOM 831 CD LYS A 57 -10.141 11.623 -0.997 1.00 0.00 C ATOM 832 CE LYS A 57 -10.356 12.701 -2.048 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.363 12.137 -3.426 1.00 0.00 N ATOM 0 H LYS A 57 -11.387 7.434 0.518 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.836 8.579 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.199 9.287 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.665 9.805 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.256 11.277 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.439 10.356 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.938 12.089 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.263 11.031 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.301 13.210 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.569 13.450 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.122 12.884 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.664 11.370 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.309 11.763 -3.643 1.00 0.00 H new ATOM 847 N GLY A 58 -12.506 6.129 -2.307 1.00 0.00 N ATOM 848 CA GLY A 58 -12.960 5.245 -3.365 1.00 0.00 C ATOM 849 C GLY A 58 -11.848 4.870 -4.324 1.00 0.00 C ATOM 850 O GLY A 58 -12.101 4.317 -5.395 1.00 0.00 O ATOM 0 H GLY A 58 -12.232 5.659 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.376 4.339 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.765 5.729 -3.918 1.00 0.00 H new ATOM 854 N LYS A 59 -10.612 5.172 -3.942 1.00 0.00 N ATOM 855 CA LYS A 59 -9.456 4.864 -4.775 1.00 0.00 C ATOM 856 C LYS A 59 -8.595 3.781 -4.132 1.00 0.00 C ATOM 857 O LYS A 59 -8.101 3.947 -3.017 1.00 0.00 O ATOM 858 CB LYS A 59 -8.619 6.124 -5.008 1.00 0.00 C ATOM 859 CG LYS A 59 -9.198 7.051 -6.062 1.00 0.00 C ATOM 860 CD LYS A 59 -10.191 8.031 -5.459 1.00 0.00 C ATOM 861 CE LYS A 59 -10.336 9.278 -6.318 1.00 0.00 C ATOM 862 NZ LYS A 59 -11.351 9.096 -7.392 1.00 0.00 N ATOM 0 H LYS A 59 -10.385 5.630 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.819 4.494 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.527 6.668 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.612 5.832 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.391 7.601 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.691 6.461 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.162 7.547 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.863 8.313 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.620 10.121 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.373 9.525 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.420 9.967 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.067 8.307 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.275 8.886 -6.964 1.00 0.00 H new ATOM 876 N SER A 60 -8.417 2.672 -4.844 1.00 0.00 N ATOM 877 CA SER A 60 -7.617 1.561 -4.342 1.00 0.00 C ATOM 878 C SER A 60 -6.127 1.865 -4.465 1.00 0.00 C ATOM 879 O SER A 60 -5.604 2.027 -5.568 1.00 0.00 O ATOM 880 CB SER A 60 -7.952 0.278 -5.104 1.00 0.00 C ATOM 881 OG SER A 60 -9.354 0.101 -5.214 1.00 0.00 O ATOM 0 H SER A 60 -8.816 2.519 -5.770 1.00 0.00 H new ATOM 0 HA SER A 60 -7.856 1.421 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.508 0.316 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.513 -0.578 -4.591 1.00 0.00 H new ATOM 0 HG SER A 60 -9.542 -0.725 -5.707 1.00 0.00 H new ATOM 887 N LEU A 61 -5.449 1.941 -3.325 1.00 0.00 N ATOM 888 CA LEU A 61 -4.019 2.226 -3.303 1.00 0.00 C ATOM 889 C LEU A 61 -3.208 0.961 -3.568 1.00 0.00 C ATOM 890 O LEU A 61 -3.190 0.040 -2.752 1.00 0.00 O ATOM 891 CB LEU A 61 -3.619 2.828 -1.955 1.00 0.00 C ATOM 892 CG LEU A 61 -4.559 3.895 -1.392 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.084 4.355 -0.022 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.660 5.075 -2.347 1.00 0.00 C ATOM 0 H LEU A 61 -5.867 1.809 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.805 2.946 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.541 2.020 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.625 3.264 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.551 3.457 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.765 5.114 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.064 3.505 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.082 4.776 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.333 5.824 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.672 5.514 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.047 4.734 -3.307 1.00 0.00 H new ATOM 906 N LYS A 62 -2.536 0.925 -4.714 1.00 0.00 N ATOM 907 CA LYS A 62 -1.720 -0.224 -5.087 1.00 0.00 C ATOM 908 C LYS A 62 -0.277 0.195 -5.347 1.00 0.00 C ATOM 909 O LYS A 62 0.424 -0.424 -6.147 1.00 0.00 O ATOM 910 CB LYS A 62 -2.297 -0.904 -6.331 1.00 0.00 C ATOM 911 CG LYS A 62 -2.320 -0.009 -7.557 1.00 0.00 C ATOM 912 CD LYS A 62 -3.569 0.856 -7.593 1.00 0.00 C ATOM 913 CE LYS A 62 -3.988 1.171 -9.021 1.00 0.00 C ATOM 914 NZ LYS A 62 -3.073 2.154 -9.664 1.00 0.00 N ATOM 0 H LYS A 62 -2.541 1.679 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.731 -0.930 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.710 -1.795 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.312 -1.237 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.435 0.628 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.275 -0.622 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.382 0.344 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.385 1.785 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.002 0.252 -9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.004 1.566 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.393 2.342 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.078 3.040 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.108 1.767 -9.686 1.00 0.00 H new ATOM 928 N GLU A 63 0.161 1.248 -4.664 1.00 0.00 N ATOM 929 CA GLU A 63 1.522 1.748 -4.822 1.00 0.00 C ATOM 930 C GLU A 63 2.171 1.998 -3.463 1.00 0.00 C ATOM 931 O GLU A 63 1.558 2.578 -2.568 1.00 0.00 O ATOM 932 CB GLU A 63 1.522 3.039 -5.644 1.00 0.00 C ATOM 933 CG GLU A 63 2.789 3.241 -6.458 1.00 0.00 C ATOM 934 CD GLU A 63 3.125 2.041 -7.323 1.00 0.00 C ATOM 935 OE1 GLU A 63 2.643 1.986 -8.474 1.00 0.00 O ATOM 936 OE2 GLU A 63 3.869 1.157 -6.849 1.00 0.00 O ATOM 0 H GLU A 63 -0.406 1.771 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 63 2.102 0.990 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.665 3.031 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.392 3.888 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.673 4.120 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.621 3.442 -5.784 1.00 0.00 H new ATOM 943 N MET A 64 3.415 1.554 -3.318 1.00 0.00 N ATOM 944 CA MET A 64 4.148 1.729 -2.070 1.00 0.00 C ATOM 945 C MET A 64 5.147 2.876 -2.182 1.00 0.00 C ATOM 946 O MET A 64 5.353 3.627 -1.229 1.00 0.00 O ATOM 947 CB MET A 64 4.877 0.437 -1.695 1.00 0.00 C ATOM 948 CG MET A 64 3.996 -0.800 -1.765 1.00 0.00 C ATOM 949 SD MET A 64 2.833 -0.902 -0.391 1.00 0.00 S ATOM 950 CE MET A 64 1.271 -0.880 -1.267 1.00 0.00 C ATOM 0 H MET A 64 3.936 1.070 -4.049 1.00 0.00 H new ATOM 0 HA MET A 64 3.429 1.972 -1.287 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.730 0.304 -2.361 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.274 0.534 -0.684 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.443 -0.795 -2.704 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.625 -1.690 -1.770 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.459 -1.079 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.124 0.098 -1.724 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.278 -1.646 -2.043 1.00 0.00 H new ATOM 960 N GLU A 65 5.765 3.005 -3.352 1.00 0.00 N ATOM 961 CA GLU A 65 6.743 4.060 -3.587 1.00 0.00 C ATOM 962 C GLU A 65 6.057 5.416 -3.727 1.00 0.00 C ATOM 963 O GLU A 65 6.712 6.438 -3.935 1.00 0.00 O ATOM 964 CB GLU A 65 7.560 3.758 -4.845 1.00 0.00 C ATOM 965 CG GLU A 65 8.387 2.487 -4.743 1.00 0.00 C ATOM 966 CD GLU A 65 9.607 2.655 -3.858 1.00 0.00 C ATOM 967 OE1 GLU A 65 10.201 3.753 -3.867 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.967 1.687 -3.156 1.00 0.00 O ATOM 0 H GLU A 65 5.605 2.392 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 65 7.413 4.097 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.884 3.674 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.224 4.598 -5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.765 1.684 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.705 2.184 -5.740 1.00 0.00 H new ATOM 975 N THR A 66 4.733 5.418 -3.611 1.00 0.00 N ATOM 976 CA THR A 66 3.957 6.647 -3.726 1.00 0.00 C ATOM 977 C THR A 66 3.797 7.324 -2.370 1.00 0.00 C ATOM 978 O THR A 66 3.442 6.696 -1.373 1.00 0.00 O ATOM 979 CB THR A 66 2.562 6.377 -4.320 1.00 0.00 C ATOM 980 OG1 THR A 66 2.688 5.796 -5.623 1.00 0.00 O ATOM 981 CG2 THR A 66 1.753 7.662 -4.408 1.00 0.00 C ATOM 0 H THR A 66 4.175 4.582 -3.437 1.00 0.00 H new ATOM 0 HA THR A 66 4.507 7.307 -4.396 1.00 0.00 H new ATOM 0 HB THR A 66 2.040 5.682 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.807 5.758 -6.051 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.772 7.446 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.633 8.086 -3.411 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.273 8.377 -5.046 1.00 0.00 H new ATOM 989 N PRO A 67 4.064 8.638 -2.329 1.00 0.00 N ATOM 990 CA PRO A 67 3.955 9.430 -1.100 1.00 0.00 C ATOM 991 C PRO A 67 2.508 9.610 -0.653 1.00 0.00 C ATOM 992 O PRO A 67 1.650 10.014 -1.439 1.00 0.00 O ATOM 993 CB PRO A 67 4.565 10.778 -1.492 1.00 0.00 C ATOM 994 CG PRO A 67 4.383 10.862 -2.968 1.00 0.00 C ATOM 995 CD PRO A 67 4.492 9.452 -3.479 1.00 0.00 C ATOM 0 HA PRO A 67 4.454 8.949 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.064 11.602 -0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.619 10.830 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.414 11.294 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.142 11.501 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.853 9.289 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.511 9.213 -3.784 1.00 0.00 H new ATOM 1003 N LEU A 68 2.243 9.309 0.613 1.00 0.00 N ATOM 1004 CA LEU A 68 0.899 9.438 1.166 1.00 0.00 C ATOM 1005 C LEU A 68 0.345 10.839 0.926 1.00 0.00 C ATOM 1006 O LEU A 68 -0.870 11.040 0.898 1.00 0.00 O ATOM 1007 CB LEU A 68 0.911 9.131 2.664 1.00 0.00 C ATOM 1008 CG LEU A 68 1.376 7.730 3.059 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.996 7.744 4.448 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.217 6.746 3.000 1.00 0.00 C ATOM 0 H LEU A 68 2.941 8.974 1.277 1.00 0.00 H new ATOM 0 HA LEU A 68 0.253 8.720 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.555 9.858 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.096 9.281 3.053 1.00 0.00 H new ATOM 0 HG LEU A 68 2.136 7.407 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.321 6.738 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.854 8.416 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.258 8.088 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.567 5.754 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.567 7.065 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.181 6.713 1.986 1.00 0.00 H new ATOM 1022 N SER A 69 1.242 11.804 0.753 1.00 0.00 N ATOM 1023 CA SER A 69 0.843 13.186 0.517 1.00 0.00 C ATOM 1024 C SER A 69 0.130 13.324 -0.825 1.00 0.00 C ATOM 1025 O SER A 69 -0.884 14.013 -0.934 1.00 0.00 O ATOM 1026 CB SER A 69 2.064 14.106 0.556 1.00 0.00 C ATOM 1027 OG SER A 69 3.236 13.414 0.161 1.00 0.00 O ATOM 0 H SER A 69 2.251 11.654 0.772 1.00 0.00 H new ATOM 0 HA SER A 69 0.152 13.479 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.902 14.959 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.193 14.502 1.563 1.00 0.00 H new ATOM 0 HG SER A 69 4.026 13.931 0.425 1.00 0.00 H new ATOM 1033 N ALA A 70 0.670 12.664 -1.845 1.00 0.00 N ATOM 1034 CA ALA A 70 0.086 12.711 -3.180 1.00 0.00 C ATOM 1035 C ALA A 70 -1.332 12.150 -3.179 1.00 0.00 C ATOM 1036 O ALA A 70 -2.238 12.721 -3.788 1.00 0.00 O ATOM 1037 CB ALA A 70 0.957 11.945 -4.164 1.00 0.00 C ATOM 0 H ALA A 70 1.511 12.091 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 70 0.036 13.754 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.509 11.988 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.951 12.392 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.036 10.905 -3.847 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.519 11.028 -2.492 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.828 10.388 -2.413 1.00 0.00 C ATOM 1045 C LEU A 71 -3.816 11.264 -1.649 1.00 0.00 C ATOM 1046 O LEU A 71 -5.025 11.045 -1.703 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.710 9.022 -1.734 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.724 8.041 -2.369 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.325 6.965 -1.371 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.326 7.415 -3.619 1.00 0.00 C ATOM 0 H LEU A 71 -0.781 10.543 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.200 10.251 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.418 9.179 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.696 8.558 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.828 8.591 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.623 6.276 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.854 7.429 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.212 6.418 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.611 6.719 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.238 6.879 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.561 8.197 -4.341 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.292 12.259 -0.939 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.142 13.155 -0.177 1.00 0.00 C ATOM 1064 C GLY A 72 -4.255 12.747 1.279 1.00 0.00 C ATOM 1065 O GLY A 72 -4.959 13.391 2.057 1.00 0.00 O ATOM 0 H GLY A 72 -2.294 12.460 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.744 14.168 -0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.136 13.176 -0.624 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.563 11.674 1.647 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.590 11.182 3.018 1.00 0.00 C ATOM 1071 C ILE A 73 -2.731 12.050 3.931 1.00 0.00 C ATOM 1072 O ILE A 73 -1.631 12.459 3.559 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.099 9.724 3.103 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.127 8.780 2.477 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -2.830 9.339 4.550 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.561 7.425 2.115 1.00 0.00 C ATOM 0 H ILE A 73 -2.977 11.129 1.015 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.628 11.227 3.349 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.167 9.637 2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.955 8.645 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.537 9.245 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.484 8.306 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.065 9.996 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.748 9.439 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.346 6.808 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.752 7.549 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.177 6.940 3.012 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.239 12.325 5.128 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.517 13.143 6.095 1.00 0.00 C ATOM 1090 C GLN A 74 -2.913 12.778 7.521 1.00 0.00 C ATOM 1091 O GLN A 74 -4.007 12.266 7.760 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.787 14.627 5.841 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.621 15.530 6.211 1.00 0.00 C ATOM 1094 CD GLN A 74 -2.069 16.909 6.655 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -3.091 17.420 6.197 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.303 17.520 7.551 1.00 0.00 N ATOM 0 H GLN A 74 -4.148 11.993 5.451 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.451 12.949 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.025 14.769 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.666 14.930 6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.045 15.064 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.955 15.627 5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.464 17.059 7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.553 18.450 7.886 1.00 0.00 H new ATOM 1105 N ASP A 75 -2.018 13.044 8.466 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.274 12.744 9.869 1.00 0.00 C ATOM 1107 C ASP A 75 -3.647 13.259 10.293 1.00 0.00 C ATOM 1108 O ASP A 75 -3.850 14.463 10.443 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.189 13.363 10.752 1.00 0.00 C ATOM 1110 CG ASP A 75 -0.995 14.842 10.479 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.522 15.185 9.375 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.317 15.656 11.369 1.00 0.00 O ATOM 0 H ASP A 75 -1.108 13.467 8.285 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.257 11.661 9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.453 13.221 11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.247 12.839 10.587 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.586 12.337 10.483 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.927 12.717 10.886 1.00 0.00 C ATOM 1119 C GLY A 76 -6.976 12.305 9.873 1.00 0.00 C ATOM 1120 O GLY A 76 -8.040 12.919 9.785 1.00 0.00 O ATOM 0 H GLY A 76 -4.442 11.334 10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.157 12.260 11.849 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.968 13.797 11.028 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.676 11.263 9.105 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.601 10.770 8.090 1.00 0.00 C ATOM 1126 C CYS A 77 -7.945 9.304 8.333 1.00 0.00 C ATOM 1127 O CYS A 77 -7.215 8.591 9.022 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.997 10.941 6.695 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.956 12.652 6.112 1.00 0.00 S ATOM 0 H CYS A 77 -5.800 10.744 9.166 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.519 11.354 8.155 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.981 10.546 6.700 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.569 10.341 5.987 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.426 12.694 4.926 1.00 0.00 H new ATOM 1135 N ARG A 78 -9.061 8.862 7.764 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.503 7.481 7.922 1.00 0.00 C ATOM 1137 C ARG A 78 -9.481 6.747 6.584 1.00 0.00 C ATOM 1138 O ARG A 78 -10.212 7.100 5.658 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.913 7.439 8.515 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.933 7.435 10.035 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.254 7.959 10.576 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.379 9.405 10.407 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.344 10.129 10.963 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.263 9.545 11.720 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -13.391 11.440 10.763 1.00 0.00 N ATOM 0 H ARG A 78 -9.676 9.439 7.190 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.814 6.981 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.476 8.300 8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.425 6.548 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.766 6.421 10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.115 8.049 10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.078 7.462 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.338 7.709 11.634 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.688 9.885 9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.230 8.538 11.876 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.003 10.103 12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.686 11.893 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.133 11.995 11.190 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.637 5.725 6.489 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.520 4.941 5.266 1.00 0.00 C ATOM 1161 C VAL A 79 -9.223 3.596 5.406 1.00 0.00 C ATOM 1162 O VAL A 79 -9.238 3.001 6.483 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.045 4.701 4.892 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.943 3.937 3.581 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.295 6.021 4.809 1.00 0.00 C ATOM 0 H VAL A 79 -8.024 5.421 7.245 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.999 5.517 4.474 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.585 4.096 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.894 3.777 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.443 2.974 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.419 4.512 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.255 5.832 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.754 6.653 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.338 6.525 5.775 1.00 0.00 H new ATOM 1175 N MET A 80 -9.804 3.121 4.309 1.00 0.00 N ATOM 1176 CA MET A 80 -10.508 1.844 4.309 1.00 0.00 C ATOM 1177 C MET A 80 -9.583 0.713 3.870 1.00 0.00 C ATOM 1178 O MET A 80 -8.922 0.805 2.834 1.00 0.00 O ATOM 1179 CB MET A 80 -11.727 1.909 3.387 1.00 0.00 C ATOM 1180 CG MET A 80 -12.286 0.543 3.022 1.00 0.00 C ATOM 1181 SD MET A 80 -14.060 0.583 2.701 1.00 0.00 S ATOM 1182 CE MET A 80 -14.484 -1.143 2.927 1.00 0.00 C ATOM 0 H MET A 80 -9.801 3.601 3.409 1.00 0.00 H new ATOM 0 HA MET A 80 -10.842 1.642 5.327 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.508 2.495 3.872 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.454 2.437 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.769 0.167 2.139 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.083 -0.157 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 80 -14.925 -1.533 2.009 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.585 -1.710 3.167 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.201 -1.238 3.743 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.540 -0.352 4.663 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.695 -1.501 4.355 1.00 0.00 C ATOM 1194 C LEU A 81 -9.524 -2.779 4.270 1.00 0.00 C ATOM 1195 O LEU A 81 -10.277 -3.104 5.189 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.605 -1.656 5.417 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.582 -2.766 5.172 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.668 -2.402 4.013 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.770 -3.030 6.432 1.00 0.00 C ATOM 0 H LEU A 81 -10.080 -0.444 5.524 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.227 -1.328 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.071 -0.710 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.086 -1.838 6.378 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.119 -3.678 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.947 -3.203 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.263 -2.264 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.138 -1.478 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.047 -3.823 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.243 -2.121 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.438 -3.336 7.238 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.378 -3.500 3.164 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.111 -4.743 2.961 1.00 0.00 C ATOM 1213 C ILE A 82 -9.164 -5.938 2.918 1.00 0.00 C ATOM 1214 O ILE A 82 -8.208 -5.959 2.145 1.00 0.00 O ATOM 1215 CB ILE A 82 -10.932 -4.707 1.659 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -11.935 -3.552 1.695 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.650 -6.032 1.448 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.768 -3.435 0.437 1.00 0.00 C ATOM 0 H ILE A 82 -8.759 -3.245 2.395 1.00 0.00 H new ATOM 0 HA ILE A 82 -10.791 -4.850 3.806 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.252 -4.548 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.599 -3.684 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.396 -2.618 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.226 -5.991 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.917 -6.837 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.322 -6.219 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.456 -2.595 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.113 -3.271 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.335 -4.354 0.289 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.439 -6.934 3.755 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.604 -8.120 3.796 1.00 0.00 C ATOM 1232 C GLY A 83 -9.147 -9.180 4.734 1.00 0.00 C ATOM 1233 O GLY A 83 -10.183 -8.985 5.370 1.00 0.00 O ATOM 0 H GLY A 83 -10.225 -6.940 4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.520 -8.536 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.598 -7.842 4.111 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.447 -10.306 4.821 1.00 0.00 N ATOM 1238 CA LYS A 84 -8.864 -11.402 5.687 1.00 0.00 C ATOM 1239 C LYS A 84 -7.729 -11.826 6.613 1.00 0.00 C ATOM 1240 O LYS A 84 -6.646 -12.195 6.157 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.326 -12.596 4.848 1.00 0.00 C ATOM 1242 CG LYS A 84 -10.149 -13.606 5.629 1.00 0.00 C ATOM 1243 CD LYS A 84 -10.315 -14.905 4.858 1.00 0.00 C ATOM 1244 CE LYS A 84 -11.395 -14.786 3.793 1.00 0.00 C ATOM 1245 NZ LYS A 84 -11.511 -16.029 2.980 1.00 0.00 N ATOM 0 H LYS A 84 -7.587 -10.483 4.302 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.696 -11.052 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.916 -12.232 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.452 -13.097 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.667 -13.808 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.130 -13.185 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.369 -15.175 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.570 -15.709 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.352 -14.572 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.169 -13.944 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.257 -15.908 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.605 -16.219 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.752 -16.828 3.600 1.00 0.00 H new ATOM 1259 N LYS A 85 -7.983 -11.773 7.916 1.00 0.00 N ATOM 1260 CA LYS A 85 -6.984 -12.155 8.907 1.00 0.00 C ATOM 1261 C LYS A 85 -6.691 -13.650 8.837 1.00 0.00 C ATOM 1262 O LYS A 85 -7.605 -14.467 8.732 1.00 0.00 O ATOM 1263 CB LYS A 85 -7.462 -11.783 10.313 1.00 0.00 C ATOM 1264 CG LYS A 85 -7.614 -10.288 10.528 1.00 0.00 C ATOM 1265 CD LYS A 85 -7.423 -9.912 11.988 1.00 0.00 C ATOM 1266 CE LYS A 85 -7.032 -8.450 12.140 1.00 0.00 C ATOM 1267 NZ LYS A 85 -8.225 -7.564 12.238 1.00 0.00 N ATOM 0 H LYS A 85 -8.873 -11.469 8.311 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.065 -11.612 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.420 -12.268 10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.756 -12.177 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.886 -9.756 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.602 -9.970 10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.345 -10.102 12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.652 -10.544 12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.416 -8.330 13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.423 -8.146 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.919 -6.570 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.843 -7.722 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.747 -7.780 13.111 1.00 0.00 H new ATOM 1281 N ASN A 86 -5.410 -14.001 8.897 1.00 0.00 N ATOM 1282 CA ASN A 86 -4.997 -15.399 8.841 1.00 0.00 C ATOM 1283 C ASN A 86 -4.504 -15.875 10.204 1.00 0.00 C ATOM 1284 O ASN A 86 -4.122 -15.070 11.053 1.00 0.00 O ATOM 1285 CB ASN A 86 -3.897 -15.586 7.794 1.00 0.00 C ATOM 1286 CG ASN A 86 -4.455 -15.771 6.396 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -4.299 -16.972 5.851 1.00 0.00 O flip ATOM 1288 ND2 ASN A 86 -5.021 -14.845 5.814 1.00 0.00 N flip ATOM 0 H ASN A 86 -4.641 -13.337 8.984 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.863 -15.997 8.558 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.236 -14.719 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.291 -16.453 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.118 -13.939 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.393 -14.984 4.874 1.00 0.00 H new ATOM 1295 N SER A 87 -4.514 -17.189 10.405 1.00 0.00 N ATOM 1296 CA SER A 87 -4.071 -17.773 11.665 1.00 0.00 C ATOM 1297 C SER A 87 -2.926 -18.755 11.436 1.00 0.00 C ATOM 1298 O SER A 87 -3.077 -19.746 10.723 1.00 0.00 O ATOM 1299 CB SER A 87 -5.235 -18.482 12.360 1.00 0.00 C ATOM 1300 OG SER A 87 -4.799 -19.150 13.532 1.00 0.00 O ATOM 0 H SER A 87 -4.824 -17.869 9.711 1.00 0.00 H new ATOM 0 HA SER A 87 -3.712 -16.967 12.305 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.006 -17.756 12.617 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.688 -19.199 11.676 1.00 0.00 H new ATOM 0 HG SER A 87 -5.562 -19.594 13.958 1.00 0.00 H new ATOM 1306 N GLY A 88 -1.780 -18.471 12.047 1.00 0.00 N ATOM 1307 CA GLY A 88 -0.625 -19.337 11.898 1.00 0.00 C ATOM 1308 C GLY A 88 0.660 -18.673 12.348 1.00 0.00 C ATOM 1309 O GLY A 88 0.744 -17.450 12.465 1.00 0.00 O ATOM 0 H GLY A 88 -1.631 -17.657 12.643 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.781 -20.248 12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.530 -19.634 10.854 1.00 0.00 H new ATOM 1313 N PRO A 89 1.692 -19.489 12.611 1.00 0.00 N ATOM 1314 CA PRO A 89 2.998 -18.995 13.057 1.00 0.00 C ATOM 1315 C PRO A 89 3.743 -18.248 11.955 1.00 0.00 C ATOM 1316 O PRO A 89 4.754 -17.594 12.209 1.00 0.00 O ATOM 1317 CB PRO A 89 3.749 -20.272 13.439 1.00 0.00 C ATOM 1318 CG PRO A 89 3.110 -21.345 12.627 1.00 0.00 C ATOM 1319 CD PRO A 89 1.663 -20.956 12.493 1.00 0.00 C ATOM 0 HA PRO A 89 2.905 -18.278 13.873 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.813 -20.187 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.662 -20.478 14.506 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.584 -21.429 11.649 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.210 -22.315 13.114 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.248 -21.274 11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.051 -21.410 13.272 1.00 0.00 H new ATOM 1327 N SER A 90 3.235 -18.350 10.731 1.00 0.00 N ATOM 1328 CA SER A 90 3.854 -17.687 9.589 1.00 0.00 C ATOM 1329 C SER A 90 4.143 -16.222 9.903 1.00 0.00 C ATOM 1330 O SER A 90 3.332 -15.537 10.526 1.00 0.00 O ATOM 1331 CB SER A 90 2.948 -17.788 8.361 1.00 0.00 C ATOM 1332 OG SER A 90 2.792 -19.136 7.952 1.00 0.00 O ATOM 0 H SER A 90 2.397 -18.885 10.505 1.00 0.00 H new ATOM 0 HA SER A 90 4.798 -18.188 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.972 -17.358 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.371 -17.203 7.544 1.00 0.00 H new ATOM 0 HG SER A 90 2.207 -19.174 7.166 1.00 0.00 H new ATOM 1338 N SER A 91 5.306 -15.748 9.466 1.00 0.00 N ATOM 1339 CA SER A 91 5.705 -14.365 9.703 1.00 0.00 C ATOM 1340 C SER A 91 6.000 -13.652 8.387 1.00 0.00 C ATOM 1341 O SER A 91 6.855 -14.082 7.613 1.00 0.00 O ATOM 1342 CB SER A 91 6.936 -14.316 10.611 1.00 0.00 C ATOM 1343 OG SER A 91 8.056 -14.917 9.984 1.00 0.00 O ATOM 0 H SER A 91 5.988 -16.301 8.946 1.00 0.00 H new ATOM 0 HA SER A 91 4.879 -13.853 10.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.167 -13.280 10.860 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.721 -14.829 11.548 1.00 0.00 H new ATOM 0 HG SER A 91 7.957 -14.857 9.011 1.00 0.00 H new ATOM 1349 N GLY A 92 5.286 -12.558 8.141 1.00 0.00 N ATOM 1350 CA GLY A 92 5.485 -11.802 6.918 1.00 0.00 C ATOM 1351 C GLY A 92 5.224 -12.630 5.675 1.00 0.00 C ATOM 1352 O GLY A 92 4.111 -13.110 5.465 1.00 0.00 O ATOM 0 H GLY A 92 4.574 -12.182 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.824 -10.935 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.507 -11.424 6.891 1.00 0.00 H new TER 1356 GLY A 92