USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1026 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 11 THR OG1 : rot 150:sc= 0.797 USER MOD Set 1.2: A 14 GLN : amide:sc= 1.13 K(o=1.9,f=-4.4!) USER MOD Set 2.1: A 6 SER OG : rot 172:sc= -0.929 USER MOD Set 2.2: A 101 ASN : amide:sc= -4.31 K(o=-5.2,f=-9.7!) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0813) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.049 (180deg=-0.067) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -76:sc= 0.49 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.13 K(o=0.13,f=-0.53) USER MOD Single : A 23 ASN : amide:sc= -4.51 K(o=-4.5,f=-6.8!) USER MOD Single : A 35 ASN : amide:sc= -0.705 K(o=-0.71,f=-9.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -150:sc= 0.0636 USER MOD Single : A 45 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-5.2!) USER MOD Single : A 46 TYR OH : rot -15:sc= -3.29! USER MOD Single : A 48 SER OG : rot 180:sc= -1.75 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.022 F(o=-1.8,f=-0.022) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00814) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00249) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 71 HIS : no HE2:sc= -14.3! C(o=-14!,f=-19!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -1.74! USER MOD Single : A 76 GLN :FLIP amide:sc= -0.653 F(o=-1.5!,f=-0.65) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot -148:sc= -1.18 USER MOD Single : A 88 ASN : amide:sc= -14.6! C(o=-15!,f=-25!) USER MOD Single : A 89 TYR OH : rot 80:sc= -6.4! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= -1.36 (180deg=-2.67!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0917 USER MOD Single : A 100 LYS NZ :NH3+ 147:sc= -0.292 (180deg=-1.24!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 115 SER OG : rot -77:sc= 0.68 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 CYS SG : rot 110:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.598 20.063 7.202 1.00 0.00 N ATOM 2 CA MET A 1 7.514 20.369 8.172 1.00 0.00 C ATOM 3 C MET A 1 6.376 19.358 8.066 1.00 0.00 C ATOM 4 O MET A 1 5.201 19.722 8.121 1.00 0.00 O ATOM 5 CB MET A 1 6.997 21.781 7.891 1.00 0.00 C ATOM 6 CG MET A 1 8.012 22.871 8.196 1.00 0.00 C ATOM 7 SD MET A 1 7.257 24.502 8.340 1.00 0.00 S ATOM 8 CE MET A 1 6.617 24.726 6.683 1.00 0.00 C ATOM 0 H1 MET A 1 9.334 20.795 7.262 1.00 0.00 H new ATOM 0 H2 MET A 1 9.013 19.136 7.426 1.00 0.00 H new ATOM 0 H3 MET A 1 8.206 20.043 6.239 1.00 0.00 H new ATOM 0 HA MET A 1 7.911 20.308 9.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.705 21.850 6.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.099 21.955 8.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.529 22.631 9.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.765 22.892 7.408 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.214 25.734 6.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.420 24.582 5.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.826 23.999 6.497 1.00 0.00 H new ATOM 18 N ALA A 2 6.734 18.087 7.914 1.00 0.00 N ATOM 19 CA ALA A 2 5.744 17.021 7.802 1.00 0.00 C ATOM 20 C ALA A 2 4.846 17.231 6.587 1.00 0.00 C ATOM 21 O ALA A 2 3.631 17.381 6.716 1.00 0.00 O ATOM 22 CB ALA A 2 4.912 16.940 9.073 1.00 0.00 C ATOM 0 H ALA A 2 7.702 17.770 7.866 1.00 0.00 H new ATOM 0 HA ALA A 2 6.273 16.078 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.177 16.141 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.564 16.733 9.922 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.398 17.888 9.233 1.00 0.00 H new ATOM 28 N MET A 3 5.454 17.240 5.405 1.00 0.00 N ATOM 29 CA MET A 3 4.711 17.431 4.165 1.00 0.00 C ATOM 30 C MET A 3 5.611 17.210 2.953 1.00 0.00 C ATOM 31 O MET A 3 6.815 17.459 3.009 1.00 0.00 O ATOM 32 CB MET A 3 4.110 18.837 4.118 1.00 0.00 C ATOM 33 CG MET A 3 5.143 19.945 4.251 1.00 0.00 C ATOM 34 SD MET A 3 4.725 21.404 3.279 1.00 0.00 S ATOM 35 CE MET A 3 3.384 22.087 4.249 1.00 0.00 C ATOM 0 H MET A 3 6.459 17.117 5.280 1.00 0.00 H new ATOM 0 HA MET A 3 3.905 16.697 4.136 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.574 18.963 3.177 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.377 18.937 4.919 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.235 20.226 5.300 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.116 19.569 3.935 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.018 22.997 3.774 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.574 21.360 4.313 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.742 22.320 5.252 1.00 0.00 H new ATOM 45 N ALA A 4 5.020 16.743 1.857 1.00 0.00 N ATOM 46 CA ALA A 4 5.769 16.491 0.632 1.00 0.00 C ATOM 47 C ALA A 4 6.843 15.428 0.853 1.00 0.00 C ATOM 48 O ALA A 4 6.798 14.685 1.833 1.00 0.00 O ATOM 49 CB ALA A 4 6.393 17.783 0.123 1.00 0.00 C ATOM 0 H ALA A 4 4.024 16.532 1.793 1.00 0.00 H new ATOM 0 HA ALA A 4 5.076 16.115 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.950 17.582 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.607 18.510 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.069 18.183 0.879 1.00 0.00 H new ATOM 55 N ARG A 5 7.805 15.360 -0.063 1.00 0.00 N ATOM 56 CA ARG A 5 8.888 14.386 0.034 1.00 0.00 C ATOM 57 C ARG A 5 8.350 12.962 -0.066 1.00 0.00 C ATOM 58 O ARG A 5 7.144 12.735 0.030 1.00 0.00 O ATOM 59 CB ARG A 5 9.654 14.566 1.348 1.00 0.00 C ATOM 60 CG ARG A 5 10.874 15.464 1.222 1.00 0.00 C ATOM 61 CD ARG A 5 10.481 16.930 1.133 1.00 0.00 C ATOM 62 NE ARG A 5 11.444 17.709 0.357 1.00 0.00 N ATOM 63 CZ ARG A 5 11.480 17.731 -0.974 1.00 0.00 C ATOM 64 NH1 ARG A 5 10.608 17.022 -1.680 1.00 0.00 N ATOM 65 NH2 ARG A 5 12.389 18.466 -1.600 1.00 0.00 N ATOM 0 H ARG A 5 7.857 15.968 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 5 9.570 14.557 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.981 14.984 2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.969 13.588 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.528 15.313 2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.443 15.184 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.495 17.014 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.403 17.346 2.137 1.00 0.00 H new ATOM 0 HE ARG A 5 12.129 18.269 0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.906 16.457 -1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.640 17.043 -2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.060 19.014 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.417 18.483 -2.619 1.00 0.00 H new ATOM 79 N SER A 6 9.253 12.008 -0.264 1.00 0.00 N ATOM 80 CA SER A 6 8.870 10.605 -0.381 1.00 0.00 C ATOM 81 C SER A 6 9.062 9.871 0.943 1.00 0.00 C ATOM 82 O SER A 6 9.285 10.494 1.981 1.00 0.00 O ATOM 83 CB SER A 6 9.687 9.927 -1.481 1.00 0.00 C ATOM 84 OG SER A 6 9.999 10.840 -2.518 1.00 0.00 O ATOM 0 H SER A 6 10.255 12.180 -0.347 1.00 0.00 H new ATOM 0 HA SER A 6 7.813 10.562 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.607 9.523 -1.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.127 9.086 -1.889 1.00 0.00 H new ATOM 0 HG SER A 6 10.625 10.421 -3.145 1.00 0.00 H new ATOM 90 N ILE A 7 8.966 8.541 0.899 1.00 0.00 N ATOM 91 CA ILE A 7 9.120 7.713 2.096 1.00 0.00 C ATOM 92 C ILE A 7 8.346 8.301 3.268 1.00 0.00 C ATOM 93 O ILE A 7 8.774 8.207 4.419 1.00 0.00 O ATOM 94 CB ILE A 7 10.600 7.563 2.501 1.00 0.00 C ATOM 95 CG1 ILE A 7 11.469 7.302 1.272 1.00 0.00 C ATOM 96 CG2 ILE A 7 10.759 6.442 3.517 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.062 8.559 0.679 1.00 0.00 C ATOM 0 H ILE A 7 8.782 8.014 0.046 1.00 0.00 H new ATOM 0 HA ILE A 7 8.721 6.729 1.849 1.00 0.00 H new ATOM 0 HB ILE A 7 10.930 8.495 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.276 6.622 1.545 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.870 6.798 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.809 6.348 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.169 6.669 4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.413 5.505 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.667 8.301 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.260 9.232 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.687 9.052 1.423 1.00 0.00 H new ATOM 109 N SER A 8 7.214 8.928 2.966 1.00 0.00 N ATOM 110 CA SER A 8 6.400 9.553 4.004 1.00 0.00 C ATOM 111 C SER A 8 4.906 9.491 3.689 1.00 0.00 C ATOM 112 O SER A 8 4.496 9.117 2.592 1.00 0.00 O ATOM 113 CB SER A 8 6.824 11.010 4.200 1.00 0.00 C ATOM 114 OG SER A 8 6.798 11.719 2.973 1.00 0.00 O ATOM 0 H SER A 8 6.841 9.017 2.021 1.00 0.00 H new ATOM 0 HA SER A 8 6.566 8.990 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.159 11.492 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.828 11.046 4.623 1.00 0.00 H new ATOM 0 HG SER A 8 7.576 11.467 2.433 1.00 0.00 H new ATOM 120 N TYR A 9 4.106 9.870 4.681 1.00 0.00 N ATOM 121 CA TYR A 9 2.645 9.874 4.560 1.00 0.00 C ATOM 122 C TYR A 9 2.148 11.167 3.938 1.00 0.00 C ATOM 123 O TYR A 9 2.829 12.192 3.977 1.00 0.00 O ATOM 124 CB TYR A 9 1.960 9.666 5.919 1.00 0.00 C ATOM 125 CG TYR A 9 2.722 10.225 7.101 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.516 11.351 6.965 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.644 9.624 8.349 1.00 0.00 C ATOM 128 CE1 TYR A 9 4.216 11.866 8.038 1.00 0.00 C ATOM 129 CE2 TYR A 9 3.340 10.131 9.429 1.00 0.00 C ATOM 130 CZ TYR A 9 4.126 11.252 9.268 1.00 0.00 C ATOM 131 OH TYR A 9 4.821 11.761 10.341 1.00 0.00 O ATOM 0 H TYR A 9 4.447 10.183 5.590 1.00 0.00 H new ATOM 0 HA TYR A 9 2.384 9.040 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.973 10.128 5.888 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.807 8.598 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.589 11.835 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.029 8.746 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.831 12.745 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.269 9.652 10.394 1.00 0.00 H new ATOM 0 HH TYR A 9 4.647 11.211 11.134 1.00 0.00 H new ATOM 141 N ILE A 10 0.961 11.107 3.343 1.00 0.00 N ATOM 142 CA ILE A 10 0.386 12.279 2.690 1.00 0.00 C ATOM 143 C ILE A 10 -0.991 12.611 3.254 1.00 0.00 C ATOM 144 O ILE A 10 -1.829 11.731 3.449 1.00 0.00 O ATOM 145 CB ILE A 10 0.263 12.064 1.167 1.00 0.00 C ATOM 146 CG1 ILE A 10 -0.271 10.663 0.867 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.608 12.281 0.489 1.00 0.00 C ATOM 148 CD1 ILE A 10 -1.264 10.628 -0.274 1.00 0.00 C ATOM 0 H ILE A 10 0.383 10.268 3.299 1.00 0.00 H new ATOM 0 HA ILE A 10 1.062 13.111 2.885 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.443 12.793 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.566 10.007 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.745 10.264 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.503 12.125 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.950 13.299 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.335 11.574 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.601 9.603 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.120 11.258 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.788 10.997 -1.182 1.00 0.00 H new ATOM 160 N THR A 11 -1.206 13.898 3.519 1.00 0.00 N ATOM 161 CA THR A 11 -2.469 14.378 4.073 1.00 0.00 C ATOM 162 C THR A 11 -3.539 14.507 2.993 1.00 0.00 C ATOM 163 O THR A 11 -3.252 14.386 1.802 1.00 0.00 O ATOM 164 CB THR A 11 -2.264 15.727 4.764 1.00 0.00 C ATOM 165 OG1 THR A 11 -0.965 15.813 5.321 1.00 0.00 O ATOM 166 CG2 THR A 11 -3.258 15.986 5.875 1.00 0.00 C ATOM 0 H THR A 11 -0.516 14.631 3.357 1.00 0.00 H new ATOM 0 HA THR A 11 -2.811 13.645 4.803 1.00 0.00 H new ATOM 0 HB THR A 11 -2.410 16.476 3.985 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.670 16.747 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.057 16.959 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.269 15.976 5.468 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.165 15.210 6.635 1.00 0.00 H new ATOM 174 N SER A 12 -4.777 14.753 3.426 1.00 0.00 N ATOM 175 CA SER A 12 -5.913 14.901 2.513 1.00 0.00 C ATOM 176 C SER A 12 -5.526 15.675 1.254 1.00 0.00 C ATOM 177 O SER A 12 -5.741 15.205 0.138 1.00 0.00 O ATOM 178 CB SER A 12 -7.069 15.610 3.221 1.00 0.00 C ATOM 179 OG SER A 12 -8.317 15.060 2.835 1.00 0.00 O ATOM 0 H SER A 12 -5.020 14.855 4.411 1.00 0.00 H new ATOM 0 HA SER A 12 -6.227 13.902 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.947 15.522 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.048 16.674 2.984 1.00 0.00 H new ATOM 0 HG SER A 12 -9.040 15.529 3.302 1.00 0.00 H new ATOM 185 N THR A 13 -4.950 16.858 1.437 1.00 0.00 N ATOM 186 CA THR A 13 -4.532 17.676 0.304 1.00 0.00 C ATOM 187 C THR A 13 -3.312 17.075 -0.368 1.00 0.00 C ATOM 188 O THR A 13 -3.192 17.104 -1.592 1.00 0.00 O ATOM 189 CB THR A 13 -4.228 19.105 0.729 1.00 0.00 C ATOM 190 OG1 THR A 13 -3.301 19.127 1.801 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.454 19.883 1.157 1.00 0.00 C ATOM 0 H THR A 13 -4.763 17.270 2.351 1.00 0.00 H new ATOM 0 HA THR A 13 -5.361 17.697 -0.404 1.00 0.00 H new ATOM 0 HB THR A 13 -3.813 19.583 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.119 20.055 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.162 20.892 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.161 19.933 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.924 19.384 2.005 1.00 0.00 H new ATOM 199 N GLN A 14 -2.412 16.512 0.431 1.00 0.00 N ATOM 200 CA GLN A 14 -1.215 15.891 -0.115 1.00 0.00 C ATOM 201 C GLN A 14 -1.629 14.807 -1.101 1.00 0.00 C ATOM 202 O GLN A 14 -0.904 14.489 -2.044 1.00 0.00 O ATOM 203 CB GLN A 14 -0.372 15.283 1.008 1.00 0.00 C ATOM 204 CG GLN A 14 -0.008 16.270 2.106 1.00 0.00 C ATOM 205 CD GLN A 14 1.357 15.997 2.710 1.00 0.00 C ATOM 206 OE1 GLN A 14 2.363 15.946 2.002 1.00 0.00 O ATOM 207 NE2 GLN A 14 1.397 15.818 4.026 1.00 0.00 N ATOM 0 H GLN A 14 -2.488 16.474 1.447 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.615 16.644 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.918 14.449 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.544 14.874 0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.025 17.281 1.700 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.763 16.229 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.538 15.869 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.287 15.630 4.488 1.00 0.00 H new ATOM 216 N LEU A 15 -2.824 14.268 -0.880 1.00 0.00 N ATOM 217 CA LEU A 15 -3.387 13.247 -1.744 1.00 0.00 C ATOM 218 C LEU A 15 -3.886 13.858 -3.055 1.00 0.00 C ATOM 219 O LEU A 15 -4.016 13.157 -4.059 1.00 0.00 O ATOM 220 CB LEU A 15 -4.532 12.521 -1.034 1.00 0.00 C ATOM 221 CG LEU A 15 -5.279 11.495 -1.888 1.00 0.00 C ATOM 222 CD1 LEU A 15 -5.685 10.294 -1.048 1.00 0.00 C ATOM 223 CD2 LEU A 15 -6.499 12.133 -2.536 1.00 0.00 C ATOM 0 H LEU A 15 -3.425 14.529 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.602 12.528 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.132 12.016 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.246 13.263 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.611 11.149 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.215 9.575 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.794 9.824 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.337 10.620 -0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.020 11.391 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.169 12.506 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.183 12.961 -3.171 1.00 0.00 H new ATOM 235 N LEU A 16 -4.190 15.163 -3.043 1.00 0.00 N ATOM 236 CA LEU A 16 -4.698 15.826 -4.242 1.00 0.00 C ATOM 237 C LEU A 16 -3.720 15.693 -5.414 1.00 0.00 C ATOM 238 O LEU A 16 -4.106 15.244 -6.493 1.00 0.00 O ATOM 239 CB LEU A 16 -4.981 17.304 -3.952 1.00 0.00 C ATOM 240 CG LEU A 16 -5.403 18.137 -5.167 1.00 0.00 C ATOM 241 CD1 LEU A 16 -6.710 18.865 -4.890 1.00 0.00 C ATOM 242 CD2 LEU A 16 -4.310 19.126 -5.542 1.00 0.00 C ATOM 0 H LEU A 16 -4.094 15.769 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.628 15.334 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.766 17.366 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.086 17.751 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.559 17.461 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.993 19.451 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.492 18.138 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.583 19.528 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.628 19.709 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.122 19.796 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.396 18.584 -5.786 1.00 0.00 H new ATOM 254 N PRO A 17 -2.440 16.063 -5.225 1.00 0.00 N ATOM 255 CA PRO A 17 -1.432 15.957 -6.286 1.00 0.00 C ATOM 256 C PRO A 17 -1.031 14.508 -6.546 1.00 0.00 C ATOM 257 O PRO A 17 -0.782 14.117 -7.687 1.00 0.00 O ATOM 258 CB PRO A 17 -0.250 16.748 -5.726 1.00 0.00 C ATOM 259 CG PRO A 17 -0.392 16.632 -4.248 1.00 0.00 C ATOM 260 CD PRO A 17 -1.872 16.606 -3.977 1.00 0.00 C ATOM 0 HA PRO A 17 -1.795 16.332 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.700 16.337 -6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.281 17.789 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.089 15.726 -3.879 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.083 17.473 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.112 15.977 -3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.258 17.602 -3.760 1.00 0.00 H new ATOM 268 N LEU A 18 -0.969 13.723 -5.469 1.00 0.00 N ATOM 269 CA LEU A 18 -0.601 12.304 -5.528 1.00 0.00 C ATOM 270 C LEU A 18 0.517 12.032 -6.535 1.00 0.00 C ATOM 271 O LEU A 18 0.620 10.933 -7.080 1.00 0.00 O ATOM 272 CB LEU A 18 -1.827 11.436 -5.844 1.00 0.00 C ATOM 273 CG LEU A 18 -2.477 11.665 -7.213 1.00 0.00 C ATOM 274 CD1 LEU A 18 -2.022 10.607 -8.206 1.00 0.00 C ATOM 275 CD2 LEU A 18 -3.993 11.661 -7.087 1.00 0.00 C ATOM 0 H LEU A 18 -1.173 14.054 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.220 12.036 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.534 10.389 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.578 11.609 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.163 12.640 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.495 10.787 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.939 10.655 -8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.306 9.620 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.440 11.825 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.323 10.699 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.304 12.456 -6.409 1.00 0.00 H new ATOM 287 N HIS A 19 1.359 13.036 -6.768 1.00 0.00 N ATOM 288 CA HIS A 19 2.484 12.912 -7.697 1.00 0.00 C ATOM 289 C HIS A 19 2.028 12.884 -9.158 1.00 0.00 C ATOM 290 O HIS A 19 2.831 13.102 -10.065 1.00 0.00 O ATOM 291 CB HIS A 19 3.297 11.652 -7.386 1.00 0.00 C ATOM 292 CG HIS A 19 4.778 11.860 -7.477 1.00 0.00 C ATOM 293 ND1 HIS A 19 5.378 12.558 -8.504 1.00 0.00 N ATOM 294 CD2 HIS A 19 5.782 11.459 -6.660 1.00 0.00 C ATOM 295 CE1 HIS A 19 6.686 12.577 -8.315 1.00 0.00 C ATOM 296 NE2 HIS A 19 6.956 11.918 -7.204 1.00 0.00 N ATOM 0 H HIS A 19 1.284 13.951 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 19 3.109 13.795 -7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.047 11.306 -6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.006 10.861 -8.077 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.889 12.992 -9.287 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.678 10.885 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.411 13.051 -8.960 1.00 0.00 H new ATOM 305 N ARG A 20 0.744 12.614 -9.388 1.00 0.00 N ATOM 306 CA ARG A 20 0.205 12.560 -10.744 1.00 0.00 C ATOM 307 C ARG A 20 1.051 11.652 -11.635 1.00 0.00 C ATOM 308 O ARG A 20 1.472 12.048 -12.722 1.00 0.00 O ATOM 309 CB ARG A 20 0.139 13.966 -11.343 1.00 0.00 C ATOM 310 CG ARG A 20 -0.873 14.100 -12.470 1.00 0.00 C ATOM 311 CD ARG A 20 -0.229 14.631 -13.741 1.00 0.00 C ATOM 312 NE ARG A 20 -1.214 15.209 -14.652 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.032 14.487 -15.415 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.986 13.161 -15.379 1.00 0.00 N ATOM 315 NH2 ARG A 20 -2.898 15.092 -16.216 1.00 0.00 N ATOM 0 H ARG A 20 0.060 12.430 -8.654 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.802 12.146 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.111 14.676 -10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.126 14.239 -11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.327 13.129 -12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.676 14.770 -12.161 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.514 15.386 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.300 13.822 -14.245 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.279 16.225 -14.707 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.322 12.690 -14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.615 12.613 -15.966 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.938 16.111 -16.248 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.525 14.539 -16.801 1.00 0.00 H new ATOM 329 N ARG A 21 1.301 10.434 -11.164 1.00 0.00 N ATOM 330 CA ARG A 21 2.102 9.474 -11.916 1.00 0.00 C ATOM 331 C ARG A 21 1.370 8.139 -12.071 1.00 0.00 C ATOM 332 O ARG A 21 0.751 7.652 -11.126 1.00 0.00 O ATOM 333 CB ARG A 21 3.444 9.250 -11.218 1.00 0.00 C ATOM 334 CG ARG A 21 4.450 10.364 -11.461 1.00 0.00 C ATOM 335 CD ARG A 21 5.452 9.987 -12.541 1.00 0.00 C ATOM 336 NE ARG A 21 5.620 11.052 -13.527 1.00 0.00 N ATOM 337 CZ ARG A 21 6.131 10.864 -14.741 1.00 0.00 C ATOM 338 NH1 ARG A 21 6.530 9.655 -15.120 1.00 0.00 N ATOM 339 NH2 ARG A 21 6.245 11.885 -15.578 1.00 0.00 N ATOM 0 H ARG A 21 0.961 10.089 -10.266 1.00 0.00 H new ATOM 0 HA ARG A 21 2.273 9.886 -12.910 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.274 9.152 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.869 8.307 -11.561 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.924 11.273 -11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.979 10.586 -10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.415 9.764 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.120 9.078 -13.042 1.00 0.00 H new ATOM 0 HE ARG A 21 5.328 11.995 -13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.445 8.866 -14.479 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.921 9.516 -16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.941 12.816 -15.292 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.637 11.740 -16.509 1.00 0.00 H new ATOM 353 N PRO A 22 1.435 7.523 -13.270 1.00 0.00 N ATOM 354 CA PRO A 22 0.778 6.236 -13.537 1.00 0.00 C ATOM 355 C PRO A 22 1.447 5.075 -12.800 1.00 0.00 C ATOM 356 O PRO A 22 0.928 3.959 -12.780 1.00 0.00 O ATOM 357 CB PRO A 22 0.924 6.051 -15.056 1.00 0.00 C ATOM 358 CG PRO A 22 1.404 7.364 -15.582 1.00 0.00 C ATOM 359 CD PRO A 22 2.147 8.019 -14.456 1.00 0.00 C ATOM 0 HA PRO A 22 -0.257 6.240 -13.194 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.632 5.255 -15.287 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.027 5.772 -15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.053 7.223 -16.447 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.568 7.982 -15.908 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.199 7.735 -14.445 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.111 9.106 -14.525 1.00 0.00 H new ATOM 367 N ASN A 23 2.604 5.346 -12.200 1.00 0.00 N ATOM 368 CA ASN A 23 3.353 4.331 -11.464 1.00 0.00 C ATOM 369 C ASN A 23 2.897 4.253 -10.004 1.00 0.00 C ATOM 370 O ASN A 23 3.655 3.826 -9.144 1.00 0.00 O ATOM 371 CB ASN A 23 4.850 4.655 -11.510 1.00 0.00 C ATOM 372 CG ASN A 23 5.291 5.187 -12.862 1.00 0.00 C ATOM 373 OD1 ASN A 23 4.706 4.856 -13.893 1.00 0.00 O ATOM 374 ND2 ASN A 23 6.328 6.017 -12.862 1.00 0.00 N ATOM 0 H ASN A 23 3.045 6.266 -12.210 1.00 0.00 H new ATOM 0 HA ASN A 23 3.166 3.367 -11.937 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.082 5.391 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.420 3.756 -11.274 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.669 6.407 -13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.783 6.264 -11.983 1.00 0.00 H new ATOM 381 N ILE A 24 1.671 4.689 -9.719 1.00 0.00 N ATOM 382 CA ILE A 24 1.169 4.686 -8.343 1.00 0.00 C ATOM 383 C ILE A 24 0.236 3.517 -8.036 1.00 0.00 C ATOM 384 O ILE A 24 -0.723 3.253 -8.761 1.00 0.00 O ATOM 385 CB ILE A 24 0.437 6.005 -8.019 1.00 0.00 C ATOM 386 CG1 ILE A 24 0.069 6.063 -6.534 1.00 0.00 C ATOM 387 CG2 ILE A 24 -0.806 6.154 -8.885 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.625 7.347 -6.135 1.00 0.00 C ATOM 0 H ILE A 24 1.013 5.045 -10.412 1.00 0.00 H new ATOM 0 HA ILE A 24 2.053 4.577 -7.714 1.00 0.00 H new ATOM 0 HB ILE A 24 1.109 6.835 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.579 5.220 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.975 5.948 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.309 7.090 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.518 6.159 -9.936 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.482 5.320 -8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.857 7.320 -5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.029 8.194 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.548 7.454 -6.704 1.00 0.00 H new ATOM 400 N ALA A 25 0.518 2.848 -6.917 1.00 0.00 N ATOM 401 CA ALA A 25 -0.293 1.730 -6.447 1.00 0.00 C ATOM 402 C ALA A 25 -0.100 1.538 -4.947 1.00 0.00 C ATOM 403 O ALA A 25 1.026 1.417 -4.464 1.00 0.00 O ATOM 404 CB ALA A 25 0.031 0.449 -7.198 1.00 0.00 C ATOM 0 H ALA A 25 1.312 3.067 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.339 1.966 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.592 -0.362 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.163 0.591 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.081 0.197 -7.052 1.00 0.00 H new ATOM 410 N ILE A 26 -1.205 1.533 -4.216 1.00 0.00 N ATOM 411 CA ILE A 26 -1.170 1.381 -2.769 1.00 0.00 C ATOM 412 C ILE A 26 -1.214 -0.090 -2.347 1.00 0.00 C ATOM 413 O ILE A 26 -2.146 -0.816 -2.692 1.00 0.00 O ATOM 414 CB ILE A 26 -2.356 2.135 -2.129 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.132 3.647 -2.201 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.589 1.694 -0.688 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.302 4.403 -2.794 1.00 0.00 C ATOM 0 H ILE A 26 -2.143 1.633 -4.605 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.228 1.804 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.252 1.887 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.936 4.025 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.241 3.846 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.431 2.246 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.808 0.626 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.695 1.894 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.074 5.469 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.485 4.052 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.191 4.234 -2.186 1.00 0.00 H new ATOM 429 N ILE A 27 -0.208 -0.516 -1.583 1.00 0.00 N ATOM 430 CA ILE A 27 -0.143 -1.891 -1.096 1.00 0.00 C ATOM 431 C ILE A 27 -0.739 -2.002 0.304 1.00 0.00 C ATOM 432 O ILE A 27 -0.520 -1.137 1.152 1.00 0.00 O ATOM 433 CB ILE A 27 1.302 -2.423 -1.067 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.225 -1.434 -0.356 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.795 -2.697 -2.478 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.388 -2.097 0.349 1.00 0.00 C ATOM 0 H ILE A 27 0.572 0.072 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.724 -2.496 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 27 1.313 -3.360 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.610 -0.720 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.645 -0.866 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.818 -3.072 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.153 -3.441 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.769 -1.775 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.002 -1.337 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.010 -2.790 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.991 -2.642 -0.377 1.00 0.00 H new ATOM 448 N ASP A 28 -1.492 -3.073 0.544 1.00 0.00 N ATOM 449 CA ASP A 28 -2.110 -3.284 1.851 1.00 0.00 C ATOM 450 C ASP A 28 -1.990 -4.738 2.307 1.00 0.00 C ATOM 451 O ASP A 28 -2.265 -5.666 1.547 1.00 0.00 O ATOM 452 CB ASP A 28 -3.581 -2.870 1.815 1.00 0.00 C ATOM 453 CG ASP A 28 -3.760 -1.364 1.806 1.00 0.00 C ATOM 454 OD1 ASP A 28 -2.968 -0.676 1.128 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.692 -0.872 2.476 1.00 0.00 O ATOM 0 H ASP A 28 -1.688 -3.802 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.576 -2.663 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.053 -3.294 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.094 -3.289 2.681 1.00 0.00 H new ATOM 460 N VAL A 29 -1.587 -4.920 3.564 1.00 0.00 N ATOM 461 CA VAL A 29 -1.434 -6.251 4.147 1.00 0.00 C ATOM 462 C VAL A 29 -2.742 -6.723 4.773 1.00 0.00 C ATOM 463 O VAL A 29 -3.434 -5.948 5.434 1.00 0.00 O ATOM 464 CB VAL A 29 -0.334 -6.268 5.229 1.00 0.00 C ATOM 465 CG1 VAL A 29 -0.700 -5.346 6.384 1.00 0.00 C ATOM 466 CG2 VAL A 29 -0.091 -7.685 5.727 1.00 0.00 C ATOM 0 H VAL A 29 -1.359 -4.157 4.201 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.150 -6.922 3.337 1.00 0.00 H new ATOM 0 HB VAL A 29 0.590 -5.902 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.089 -5.373 7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.814 -4.327 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.638 -5.677 6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.688 -7.674 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.011 -8.083 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.224 -8.314 4.895 1.00 0.00 H new ATOM 476 N ARG A 30 -3.076 -7.994 4.573 1.00 0.00 N ATOM 477 CA ARG A 30 -4.305 -8.546 5.133 1.00 0.00 C ATOM 478 C ARG A 30 -4.055 -9.888 5.824 1.00 0.00 C ATOM 479 O ARG A 30 -3.843 -9.931 7.035 1.00 0.00 O ATOM 480 CB ARG A 30 -5.368 -8.695 4.042 1.00 0.00 C ATOM 481 CG ARG A 30 -6.512 -7.702 4.171 1.00 0.00 C ATOM 482 CD ARG A 30 -6.110 -6.313 3.703 1.00 0.00 C ATOM 483 NE ARG A 30 -5.755 -6.288 2.285 1.00 0.00 N ATOM 484 CZ ARG A 30 -5.775 -5.187 1.535 1.00 0.00 C ATOM 485 NH1 ARG A 30 -6.140 -4.025 2.063 1.00 0.00 N ATOM 486 NH2 ARG A 30 -5.427 -5.249 0.256 1.00 0.00 N ATOM 0 H ARG A 30 -2.519 -8.656 4.033 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.669 -7.849 5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.897 -8.570 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.771 -9.707 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.363 -8.050 3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.837 -7.655 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.932 -5.619 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.263 -5.964 4.294 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.476 -7.164 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.406 -3.973 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.154 -3.184 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.144 -6.140 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.442 -4.406 -0.318 1.00 0.00 H new ATOM 500 N ASP A 31 -4.087 -10.979 5.049 1.00 0.00 N ATOM 501 CA ASP A 31 -3.874 -12.330 5.581 1.00 0.00 C ATOM 502 C ASP A 31 -4.425 -13.373 4.614 1.00 0.00 C ATOM 503 O ASP A 31 -3.676 -14.147 4.020 1.00 0.00 O ATOM 504 CB ASP A 31 -4.542 -12.499 6.956 1.00 0.00 C ATOM 505 CG ASP A 31 -4.539 -13.939 7.439 1.00 0.00 C ATOM 506 OD1 ASP A 31 -5.365 -14.734 6.942 1.00 0.00 O ATOM 507 OD2 ASP A 31 -3.712 -14.270 8.315 1.00 0.00 O ATOM 0 H ASP A 31 -4.260 -10.951 4.044 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.800 -12.475 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.025 -11.875 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.570 -12.141 6.902 1.00 0.00 H new ATOM 512 N GLU A 32 -5.745 -13.382 4.471 1.00 0.00 N ATOM 513 CA GLU A 32 -6.427 -14.321 3.586 1.00 0.00 C ATOM 514 C GLU A 32 -7.936 -14.176 3.736 1.00 0.00 C ATOM 515 O GLU A 32 -8.684 -14.302 2.767 1.00 0.00 O ATOM 516 CB GLU A 32 -6.007 -15.763 3.897 1.00 0.00 C ATOM 517 CG GLU A 32 -6.777 -16.807 3.102 1.00 0.00 C ATOM 518 CD GLU A 32 -7.820 -17.524 3.938 1.00 0.00 C ATOM 519 OE1 GLU A 32 -7.489 -17.948 5.065 1.00 0.00 O ATOM 520 OE2 GLU A 32 -8.969 -17.658 3.466 1.00 0.00 O ATOM 0 H GLU A 32 -6.370 -12.743 4.962 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.145 -14.093 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.942 -15.875 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.148 -15.952 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.264 -16.326 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.078 -17.537 2.695 1.00 0.00 H new ATOM 527 N GLU A 33 -8.374 -13.909 4.961 1.00 0.00 N ATOM 528 CA GLU A 33 -9.796 -13.743 5.245 1.00 0.00 C ATOM 529 C GLU A 33 -10.247 -12.317 4.954 1.00 0.00 C ATOM 530 O GLU A 33 -11.275 -12.098 4.312 1.00 0.00 O ATOM 531 CB GLU A 33 -10.092 -14.101 6.703 1.00 0.00 C ATOM 532 CG GLU A 33 -9.429 -13.170 7.706 1.00 0.00 C ATOM 533 CD GLU A 33 -9.632 -13.618 9.139 1.00 0.00 C ATOM 534 OE1 GLU A 33 -10.791 -13.617 9.603 1.00 0.00 O ATOM 535 OE2 GLU A 33 -8.631 -13.970 9.798 1.00 0.00 O ATOM 0 H GLU A 33 -7.766 -13.803 5.773 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.352 -14.418 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.170 -14.083 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.759 -15.122 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.361 -13.115 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.831 -12.164 7.583 1.00 0.00 H new ATOM 542 N ARG A 34 -9.473 -11.351 5.432 1.00 0.00 N ATOM 543 CA ARG A 34 -9.789 -9.943 5.227 1.00 0.00 C ATOM 544 C ARG A 34 -9.294 -9.455 3.866 1.00 0.00 C ATOM 545 O ARG A 34 -9.659 -8.368 3.420 1.00 0.00 O ATOM 546 CB ARG A 34 -9.178 -9.095 6.344 1.00 0.00 C ATOM 547 CG ARG A 34 -10.013 -7.878 6.710 1.00 0.00 C ATOM 548 CD ARG A 34 -9.406 -7.112 7.874 1.00 0.00 C ATOM 549 NE ARG A 34 -8.445 -6.107 7.425 1.00 0.00 N ATOM 550 CZ ARG A 34 -8.046 -5.077 8.169 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.521 -4.912 9.397 1.00 0.00 N ATOM 552 NH2 ARG A 34 -7.168 -4.210 7.682 1.00 0.00 N ATOM 0 H ARG A 34 -8.620 -11.517 5.966 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.874 -9.836 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.048 -9.716 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.185 -8.765 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.097 -7.220 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.023 -8.194 6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.200 -6.627 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.912 -7.810 8.549 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.057 -6.200 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.196 -5.576 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.211 -4.121 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.799 -4.333 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.862 -3.421 8.251 1.00 0.00 H new ATOM 566 N ASN A 35 -8.457 -10.255 3.210 1.00 0.00 N ATOM 567 CA ASN A 35 -7.920 -9.887 1.905 1.00 0.00 C ATOM 568 C ASN A 35 -8.901 -10.236 0.792 1.00 0.00 C ATOM 569 O ASN A 35 -9.045 -9.490 -0.174 1.00 0.00 O ATOM 570 CB ASN A 35 -6.586 -10.595 1.659 1.00 0.00 C ATOM 571 CG ASN A 35 -5.593 -9.716 0.923 1.00 0.00 C ATOM 572 OD1 ASN A 35 -5.749 -8.496 0.867 1.00 0.00 O ATOM 573 ND2 ASN A 35 -4.563 -10.333 0.353 1.00 0.00 N ATOM 0 H ASN A 35 -8.138 -11.158 3.560 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.760 -8.809 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.158 -10.901 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.761 -11.503 1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.863 -9.793 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.473 -11.346 0.424 1.00 0.00 H new ATOM 580 N TYR A 36 -9.562 -11.379 0.930 1.00 0.00 N ATOM 581 CA TYR A 36 -10.519 -11.836 -0.072 1.00 0.00 C ATOM 582 C TYR A 36 -11.900 -11.221 0.144 1.00 0.00 C ATOM 583 O TYR A 36 -12.667 -11.058 -0.804 1.00 0.00 O ATOM 584 CB TYR A 36 -10.614 -13.363 -0.049 1.00 0.00 C ATOM 585 CG TYR A 36 -9.345 -14.054 -0.500 1.00 0.00 C ATOM 586 CD1 TYR A 36 -8.135 -13.820 0.143 1.00 0.00 C ATOM 587 CD2 TYR A 36 -9.357 -14.941 -1.569 1.00 0.00 C ATOM 588 CE1 TYR A 36 -6.975 -14.448 -0.266 1.00 0.00 C ATOM 589 CE2 TYR A 36 -8.200 -15.574 -1.984 1.00 0.00 C ATOM 590 CZ TYR A 36 -7.012 -15.324 -1.329 1.00 0.00 C ATOM 591 OH TYR A 36 -5.859 -15.953 -1.739 1.00 0.00 O ATOM 0 H TYR A 36 -9.453 -12.007 1.726 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.160 -11.510 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -10.856 -13.689 0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -11.437 -13.678 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.101 -13.135 0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -10.285 -15.139 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.044 -14.253 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.226 -16.261 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.058 -16.538 -2.499 1.00 0.00 H new ATOM 601 N ASP A 37 -12.220 -10.892 1.394 1.00 0.00 N ATOM 602 CA ASP A 37 -13.521 -10.308 1.719 1.00 0.00 C ATOM 603 C ASP A 37 -13.858 -9.135 0.794 1.00 0.00 C ATOM 604 O ASP A 37 -14.983 -9.020 0.309 1.00 0.00 O ATOM 605 CB ASP A 37 -13.559 -9.865 3.191 1.00 0.00 C ATOM 606 CG ASP A 37 -13.108 -8.429 3.400 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.999 -8.082 2.947 1.00 0.00 O ATOM 608 OD2 ASP A 37 -13.868 -7.654 4.017 1.00 0.00 O ATOM 0 H ASP A 37 -11.601 -11.019 2.195 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.278 -11.077 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.574 -9.978 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.923 -10.527 3.779 1.00 0.00 H new ATOM 613 N GLY A 38 -12.879 -8.267 0.561 1.00 0.00 N ATOM 614 CA GLY A 38 -13.096 -7.115 -0.298 1.00 0.00 C ATOM 615 C GLY A 38 -12.959 -5.804 0.452 1.00 0.00 C ATOM 616 O GLY A 38 -12.344 -5.758 1.516 1.00 0.00 O ATOM 0 H GLY A 38 -11.939 -8.340 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.380 -7.137 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.091 -7.176 -0.740 1.00 0.00 H new ATOM 620 N HIS A 39 -13.540 -4.735 -0.091 1.00 0.00 N ATOM 621 CA HIS A 39 -13.479 -3.433 0.545 1.00 0.00 C ATOM 622 C HIS A 39 -12.039 -2.911 0.611 1.00 0.00 C ATOM 623 O HIS A 39 -11.748 -1.969 1.348 1.00 0.00 O ATOM 624 CB HIS A 39 -14.089 -3.519 1.940 1.00 0.00 C ATOM 625 CG HIS A 39 -15.424 -4.195 1.975 1.00 0.00 C ATOM 626 ND1 HIS A 39 -16.032 -4.633 0.828 1.00 0.00 N ATOM 627 CD2 HIS A 39 -16.215 -4.488 3.036 1.00 0.00 C ATOM 628 CE1 HIS A 39 -17.172 -5.181 1.207 1.00 0.00 C ATOM 629 NE2 HIS A 39 -17.328 -5.116 2.538 1.00 0.00 N ATOM 0 H HIS A 39 -14.057 -4.752 -0.970 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.052 -2.725 -0.054 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -13.403 -4.057 2.594 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.191 -2.512 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -16.009 -4.269 4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -17.888 -5.625 0.531 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -18.121 -5.466 3.076 1.00 0.00 H new ATOM 637 N ILE A 40 -11.144 -3.517 -0.175 1.00 0.00 N ATOM 638 CA ILE A 40 -9.742 -3.096 -0.212 1.00 0.00 C ATOM 639 C ILE A 40 -9.111 -3.375 -1.579 1.00 0.00 C ATOM 640 O ILE A 40 -7.890 -3.465 -1.710 1.00 0.00 O ATOM 641 CB ILE A 40 -8.899 -3.785 0.878 1.00 0.00 C ATOM 642 CG1 ILE A 40 -9.264 -5.267 0.995 1.00 0.00 C ATOM 643 CG2 ILE A 40 -9.085 -3.084 2.215 1.00 0.00 C ATOM 644 CD1 ILE A 40 -9.083 -6.043 -0.292 1.00 0.00 C ATOM 0 H ILE A 40 -11.365 -4.298 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.744 -2.022 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.850 -3.716 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.651 -5.723 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.302 -5.352 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.483 -3.583 2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.770 -2.044 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.136 -3.122 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.361 -7.085 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.717 -5.614 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.040 -5.990 -0.605 1.00 0.00 H new ATOM 656 N ALA A 41 -9.963 -3.512 -2.584 1.00 0.00 N ATOM 657 CA ALA A 41 -9.568 -3.778 -3.927 1.00 0.00 C ATOM 658 C ALA A 41 -9.517 -2.482 -4.734 1.00 0.00 C ATOM 659 O ALA A 41 -10.524 -1.804 -4.893 1.00 0.00 O ATOM 660 CB ALA A 41 -10.582 -4.748 -4.503 1.00 0.00 C ATOM 0 H ALA A 41 -10.973 -3.436 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.569 -4.211 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.318 -4.981 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.584 -5.665 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.574 -4.297 -4.475 1.00 0.00 H new ATOM 666 N GLY A 42 -8.340 -2.163 -5.266 1.00 0.00 N ATOM 667 CA GLY A 42 -8.185 -0.958 -6.060 1.00 0.00 C ATOM 668 C GLY A 42 -6.835 -0.869 -6.761 1.00 0.00 C ATOM 669 O GLY A 42 -6.780 -0.792 -7.988 1.00 0.00 O ATOM 0 H GLY A 42 -7.491 -2.718 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.978 -0.919 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.310 -0.088 -5.416 1.00 0.00 H new ATOM 673 N SER A 43 -5.742 -0.869 -5.991 1.00 0.00 N ATOM 674 CA SER A 43 -4.407 -0.777 -6.572 1.00 0.00 C ATOM 675 C SER A 43 -3.575 -2.026 -6.276 1.00 0.00 C ATOM 676 O SER A 43 -3.470 -2.919 -7.117 1.00 0.00 O ATOM 677 CB SER A 43 -3.687 0.467 -6.050 1.00 0.00 C ATOM 678 OG SER A 43 -4.248 0.906 -4.824 1.00 0.00 O ATOM 0 H SER A 43 -5.759 -0.931 -4.973 1.00 0.00 H new ATOM 0 HA SER A 43 -4.522 -0.700 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.629 0.247 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.752 1.265 -6.789 1.00 0.00 H new ATOM 0 HG SER A 43 -4.146 1.878 -4.747 1.00 0.00 H new ATOM 684 N LEU A 44 -2.971 -2.081 -5.088 1.00 0.00 N ATOM 685 CA LEU A 44 -2.139 -3.221 -4.714 1.00 0.00 C ATOM 686 C LEU A 44 -2.599 -3.865 -3.408 1.00 0.00 C ATOM 687 O LEU A 44 -2.724 -3.207 -2.375 1.00 0.00 O ATOM 688 CB LEU A 44 -0.678 -2.796 -4.598 1.00 0.00 C ATOM 689 CG LEU A 44 0.155 -2.993 -5.866 1.00 0.00 C ATOM 690 CD1 LEU A 44 1.520 -2.344 -5.712 1.00 0.00 C ATOM 691 CD2 LEU A 44 0.298 -4.474 -6.183 1.00 0.00 C ATOM 0 H LEU A 44 -3.042 -1.355 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.240 -3.966 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.643 -1.743 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.215 -3.357 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.361 -2.512 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.099 -2.494 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.397 -1.276 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.045 -2.796 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.893 -4.597 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.792 -4.978 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.689 -4.910 -6.336 1.00 0.00 H new ATOM 703 N HIS A 45 -2.837 -5.166 -3.481 1.00 0.00 N ATOM 704 CA HIS A 45 -3.276 -5.951 -2.333 1.00 0.00 C ATOM 705 C HIS A 45 -2.320 -7.114 -2.086 1.00 0.00 C ATOM 706 O HIS A 45 -1.769 -7.681 -3.029 1.00 0.00 O ATOM 707 CB HIS A 45 -4.683 -6.489 -2.577 1.00 0.00 C ATOM 708 CG HIS A 45 -4.832 -7.161 -3.906 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.083 -6.471 -5.075 1.00 0.00 N ATOM 710 CD2 HIS A 45 -4.762 -8.468 -4.252 1.00 0.00 C ATOM 711 CE1 HIS A 45 -5.162 -7.325 -6.080 1.00 0.00 C ATOM 712 NE2 HIS A 45 -4.971 -8.542 -5.607 1.00 0.00 N ATOM 0 H HIS A 45 -2.732 -5.709 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.282 -5.306 -1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.937 -7.197 -1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.396 -5.668 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.576 -9.298 -3.586 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.351 -7.070 -7.112 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.978 -9.400 -6.159 1.00 0.00 H new ATOM 721 N TYR A 46 -2.131 -7.480 -0.822 1.00 0.00 N ATOM 722 CA TYR A 46 -1.245 -8.590 -0.489 1.00 0.00 C ATOM 723 C TYR A 46 -1.467 -9.065 0.949 1.00 0.00 C ATOM 724 O TYR A 46 -1.969 -8.319 1.791 1.00 0.00 O ATOM 725 CB TYR A 46 0.220 -8.187 -0.720 1.00 0.00 C ATOM 726 CG TYR A 46 0.977 -7.855 0.544 1.00 0.00 C ATOM 727 CD1 TYR A 46 0.624 -6.757 1.312 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.031 -8.648 0.972 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.298 -6.459 2.478 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.715 -8.356 2.133 1.00 0.00 C ATOM 731 CZ TYR A 46 2.344 -7.260 2.886 1.00 0.00 C ATOM 732 OH TYR A 46 3.009 -6.974 4.056 1.00 0.00 O ATOM 0 H TYR A 46 -2.573 -7.031 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.481 -9.426 -1.147 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.732 -9.000 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.247 -7.323 -1.384 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.191 -6.125 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.321 -9.508 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.008 -5.603 3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.536 -8.981 2.451 1.00 0.00 H new ATOM 0 HH TYR A 46 2.788 -6.064 4.344 1.00 0.00 H new ATOM 742 N ALA A 47 -1.092 -10.313 1.217 1.00 0.00 N ATOM 743 CA ALA A 47 -1.248 -10.900 2.544 1.00 0.00 C ATOM 744 C ALA A 47 0.092 -10.997 3.266 1.00 0.00 C ATOM 745 O ALA A 47 1.070 -10.369 2.864 1.00 0.00 O ATOM 746 CB ALA A 47 -1.876 -12.278 2.434 1.00 0.00 C ATOM 0 H ALA A 47 -0.676 -10.940 0.528 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.902 -10.250 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.988 -12.707 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.855 -12.195 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.236 -12.922 1.831 1.00 0.00 H new ATOM 752 N SER A 48 0.132 -11.794 4.331 1.00 0.00 N ATOM 753 CA SER A 48 1.357 -11.974 5.100 1.00 0.00 C ATOM 754 C SER A 48 1.790 -13.433 5.111 1.00 0.00 C ATOM 755 O SER A 48 2.500 -13.872 6.016 1.00 0.00 O ATOM 756 CB SER A 48 1.170 -11.473 6.533 1.00 0.00 C ATOM 757 OG SER A 48 0.785 -10.110 6.551 1.00 0.00 O ATOM 0 H SER A 48 -0.668 -12.323 4.679 1.00 0.00 H new ATOM 0 HA SER A 48 2.140 -11.388 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.413 -12.075 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.099 -11.599 7.090 1.00 0.00 H new ATOM 0 HG SER A 48 0.670 -9.815 7.478 1.00 0.00 H new ATOM 763 N GLY A 49 1.381 -14.175 4.091 1.00 0.00 N ATOM 764 CA GLY A 49 1.766 -15.569 4.001 1.00 0.00 C ATOM 765 C GLY A 49 3.270 -15.714 3.887 1.00 0.00 C ATOM 766 O GLY A 49 3.835 -16.760 4.208 1.00 0.00 O ATOM 0 H GLY A 49 0.793 -13.839 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.412 -16.105 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.287 -16.027 3.135 1.00 0.00 H new ATOM 770 N SER A 50 3.914 -14.642 3.431 1.00 0.00 N ATOM 771 CA SER A 50 5.360 -14.614 3.269 1.00 0.00 C ATOM 772 C SER A 50 5.917 -13.238 3.633 1.00 0.00 C ATOM 773 O SER A 50 7.011 -13.133 4.185 1.00 0.00 O ATOM 774 CB SER A 50 5.741 -14.965 1.830 1.00 0.00 C ATOM 775 OG SER A 50 4.855 -15.927 1.287 1.00 0.00 O ATOM 0 H SER A 50 3.448 -13.774 3.166 1.00 0.00 H new ATOM 0 HA SER A 50 5.792 -15.355 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.725 -14.064 1.216 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.760 -15.350 1.804 1.00 0.00 H new ATOM 0 HG SER A 50 5.120 -16.133 0.366 1.00 0.00 H new ATOM 781 N PHE A 51 5.164 -12.185 3.290 1.00 0.00 N ATOM 782 CA PHE A 51 5.565 -10.806 3.548 1.00 0.00 C ATOM 783 C PHE A 51 6.968 -10.551 3.050 1.00 0.00 C ATOM 784 O PHE A 51 7.629 -9.599 3.462 1.00 0.00 O ATOM 785 CB PHE A 51 5.447 -10.460 5.029 1.00 0.00 C ATOM 786 CG PHE A 51 6.049 -11.475 5.960 1.00 0.00 C ATOM 787 CD1 PHE A 51 7.399 -11.442 6.265 1.00 0.00 C ATOM 788 CD2 PHE A 51 5.261 -12.461 6.531 1.00 0.00 C ATOM 789 CE1 PHE A 51 7.954 -12.374 7.121 1.00 0.00 C ATOM 790 CE2 PHE A 51 5.810 -13.397 7.388 1.00 0.00 C ATOM 791 CZ PHE A 51 7.158 -13.353 7.683 1.00 0.00 C ATOM 0 H PHE A 51 4.260 -12.271 2.826 1.00 0.00 H new ATOM 0 HA PHE A 51 4.883 -10.156 2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.928 -9.497 5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.393 -10.339 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.026 -10.679 5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.206 -12.499 6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.009 -12.337 7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.185 -14.161 7.826 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.589 -14.083 8.352 1.00 0.00 H new ATOM 801 N ASP A 52 7.400 -11.406 2.147 1.00 0.00 N ATOM 802 CA ASP A 52 8.717 -11.301 1.557 1.00 0.00 C ATOM 803 C ASP A 52 8.700 -11.810 0.124 1.00 0.00 C ATOM 804 O ASP A 52 9.352 -11.254 -0.757 1.00 0.00 O ATOM 805 CB ASP A 52 9.739 -12.090 2.378 1.00 0.00 C ATOM 806 CG ASP A 52 11.133 -11.504 2.289 1.00 0.00 C ATOM 807 OD1 ASP A 52 11.590 -11.227 1.160 1.00 0.00 O ATOM 808 OD2 ASP A 52 11.770 -11.324 3.348 1.00 0.00 O ATOM 0 H ASP A 52 6.849 -12.192 1.802 1.00 0.00 H new ATOM 0 HA ASP A 52 9.006 -10.250 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.423 -12.111 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.760 -13.123 2.030 1.00 0.00 H new ATOM 813 N ASP A 53 7.943 -12.872 -0.105 1.00 0.00 N ATOM 814 CA ASP A 53 7.836 -13.452 -1.430 1.00 0.00 C ATOM 815 C ASP A 53 6.932 -12.610 -2.330 1.00 0.00 C ATOM 816 O ASP A 53 6.683 -12.978 -3.478 1.00 0.00 O ATOM 817 CB ASP A 53 7.295 -14.882 -1.335 1.00 0.00 C ATOM 818 CG ASP A 53 8.094 -15.861 -2.173 1.00 0.00 C ATOM 819 OD1 ASP A 53 8.725 -15.424 -3.158 1.00 0.00 O ATOM 820 OD2 ASP A 53 8.089 -17.066 -1.843 1.00 0.00 O ATOM 0 H ASP A 53 7.395 -13.348 0.611 1.00 0.00 H new ATOM 0 HA ASP A 53 8.832 -13.472 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.309 -15.204 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.254 -14.896 -1.659 1.00 0.00 H new ATOM 825 N LYS A 54 6.424 -11.485 -1.813 1.00 0.00 N ATOM 826 CA LYS A 54 5.538 -10.635 -2.608 1.00 0.00 C ATOM 827 C LYS A 54 6.182 -9.295 -2.978 1.00 0.00 C ATOM 828 O LYS A 54 5.577 -8.494 -3.688 1.00 0.00 O ATOM 829 CB LYS A 54 4.234 -10.383 -1.848 1.00 0.00 C ATOM 830 CG LYS A 54 3.645 -11.629 -1.206 1.00 0.00 C ATOM 831 CD LYS A 54 2.772 -12.402 -2.183 1.00 0.00 C ATOM 832 CE LYS A 54 1.413 -12.729 -1.583 1.00 0.00 C ATOM 833 NZ LYS A 54 1.438 -14.003 -0.812 1.00 0.00 N ATOM 0 H LYS A 54 6.607 -11.149 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 54 5.336 -11.168 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.415 -9.638 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.501 -9.959 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.451 -12.271 -0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.054 -11.346 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.637 -11.817 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.275 -13.325 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.100 -11.915 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.672 -12.801 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.493 -14.190 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.712 -14.784 -1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.126 -13.926 -0.036 1.00 0.00 H new ATOM 847 N ILE A 55 7.393 -9.042 -2.493 1.00 0.00 N ATOM 848 CA ILE A 55 8.073 -7.779 -2.778 1.00 0.00 C ATOM 849 C ILE A 55 9.104 -7.916 -3.906 1.00 0.00 C ATOM 850 O ILE A 55 9.343 -6.964 -4.645 1.00 0.00 O ATOM 851 CB ILE A 55 8.727 -7.225 -1.497 1.00 0.00 C ATOM 852 CG1 ILE A 55 7.640 -6.842 -0.498 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.639 -6.038 -1.788 1.00 0.00 C ATOM 854 CD1 ILE A 55 7.245 -7.978 0.419 1.00 0.00 C ATOM 0 H ILE A 55 7.922 -9.687 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 55 7.320 -7.071 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 55 9.355 -8.006 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.988 -6.003 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.760 -6.500 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.078 -5.680 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.433 -6.347 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.059 -5.237 -2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.468 -7.639 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.867 -8.810 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.115 -8.305 0.989 1.00 0.00 H new ATOM 866 N SER A 56 9.674 -9.109 -4.059 1.00 0.00 N ATOM 867 CA SER A 56 10.641 -9.379 -5.137 1.00 0.00 C ATOM 868 C SER A 56 9.856 -9.752 -6.351 1.00 0.00 C ATOM 869 O SER A 56 10.176 -9.429 -7.494 1.00 0.00 O ATOM 870 CB SER A 56 11.589 -10.535 -4.783 1.00 0.00 C ATOM 871 OG SER A 56 12.180 -11.087 -5.947 1.00 0.00 O ATOM 0 H SER A 56 9.487 -9.908 -3.454 1.00 0.00 H new ATOM 0 HA SER A 56 11.253 -8.492 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.369 -10.177 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.039 -11.310 -4.249 1.00 0.00 H new ATOM 0 HG SER A 56 12.780 -11.819 -5.693 1.00 0.00 H new ATOM 877 N HIS A 57 8.801 -10.423 -6.021 1.00 0.00 N ATOM 878 CA HIS A 57 7.823 -10.905 -6.940 1.00 0.00 C ATOM 879 C HIS A 57 7.091 -9.719 -7.551 1.00 0.00 C ATOM 880 O HIS A 57 6.850 -9.664 -8.760 1.00 0.00 O ATOM 881 CB HIS A 57 6.898 -11.786 -6.122 1.00 0.00 C ATOM 882 CG HIS A 57 5.760 -12.378 -6.893 1.00 0.00 C ATOM 883 ND1 HIS A 57 5.751 -13.683 -7.337 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.586 -11.837 -7.296 1.00 0.00 C ATOM 885 CE1 HIS A 57 4.622 -13.919 -7.982 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.898 -12.816 -7.970 1.00 0.00 N ATOM 0 H HIS A 57 8.588 -10.662 -5.053 1.00 0.00 H new ATOM 0 HA HIS A 57 8.251 -11.472 -7.767 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.482 -12.595 -5.683 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.495 -11.199 -5.297 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.253 -10.825 -7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.340 -14.855 -8.441 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.976 -12.708 -8.393 1.00 0.00 H new ATOM 895 N LEU A 58 6.788 -8.743 -6.701 1.00 0.00 N ATOM 896 CA LEU A 58 6.133 -7.527 -7.144 1.00 0.00 C ATOM 897 C LEU A 58 7.168 -6.632 -7.799 1.00 0.00 C ATOM 898 O LEU A 58 6.896 -5.977 -8.802 1.00 0.00 O ATOM 899 CB LEU A 58 5.475 -6.802 -5.968 1.00 0.00 C ATOM 900 CG LEU A 58 4.070 -7.292 -5.608 1.00 0.00 C ATOM 901 CD1 LEU A 58 3.609 -6.674 -4.295 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.091 -6.967 -6.727 1.00 0.00 C ATOM 0 H LEU A 58 6.988 -8.775 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 58 5.349 -7.778 -7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.115 -6.907 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.424 -5.738 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 58 4.103 -8.374 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.608 -7.034 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.297 -6.957 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.591 -5.588 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.097 -7.322 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.061 -5.889 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.413 -7.457 -7.646 1.00 0.00 H new ATOM 914 N VAL A 59 8.373 -6.639 -7.234 1.00 0.00 N ATOM 915 CA VAL A 59 9.475 -5.854 -7.769 1.00 0.00 C ATOM 916 C VAL A 59 9.746 -6.269 -9.213 1.00 0.00 C ATOM 917 O VAL A 59 10.084 -5.444 -10.062 1.00 0.00 O ATOM 918 CB VAL A 59 10.753 -6.041 -6.911 1.00 0.00 C ATOM 919 CG1 VAL A 59 11.978 -6.304 -7.774 1.00 0.00 C ATOM 920 CG2 VAL A 59 10.976 -4.835 -6.010 1.00 0.00 C ATOM 0 H VAL A 59 8.608 -7.182 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 59 9.199 -4.800 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 59 10.602 -6.919 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.853 -6.429 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.823 -7.210 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.137 -5.461 -8.446 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.878 -4.986 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.090 -3.940 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.120 -4.714 -5.346 1.00 0.00 H new ATOM 930 N GLN A 60 9.594 -7.564 -9.470 1.00 0.00 N ATOM 931 CA GLN A 60 9.816 -8.124 -10.795 1.00 0.00 C ATOM 932 C GLN A 60 8.607 -7.917 -11.701 1.00 0.00 C ATOM 933 O GLN A 60 8.709 -8.056 -12.920 1.00 0.00 O ATOM 934 CB GLN A 60 10.126 -9.618 -10.680 1.00 0.00 C ATOM 935 CG GLN A 60 11.609 -9.926 -10.559 1.00 0.00 C ATOM 936 CD GLN A 60 12.415 -9.382 -11.723 1.00 0.00 C ATOM 937 OE1 GLN A 60 12.191 -9.753 -12.875 1.00 0.00 O ATOM 938 NE2 GLN A 60 13.361 -8.499 -11.425 1.00 0.00 N ATOM 0 H GLN A 60 9.315 -8.250 -8.769 1.00 0.00 H new ATOM 0 HA GLN A 60 10.663 -7.604 -11.242 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.608 -10.022 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.727 -10.131 -11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.989 -9.503 -9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.748 -11.005 -10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.511 -8.220 -10.455 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.937 -8.099 -12.166 1.00 0.00 H new ATOM 947 N ASN A 61 7.458 -7.610 -11.106 1.00 0.00 N ATOM 948 CA ASN A 61 6.240 -7.418 -11.881 1.00 0.00 C ATOM 949 C ASN A 61 5.782 -5.958 -11.889 1.00 0.00 C ATOM 950 O ASN A 61 4.588 -5.676 -11.795 1.00 0.00 O ATOM 951 CB ASN A 61 5.131 -8.314 -11.329 1.00 0.00 C ATOM 952 CG ASN A 61 5.307 -9.766 -11.736 1.00 0.00 C ATOM 953 OD1 ASN A 61 6.490 -10.321 -11.479 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 4.390 -10.383 -12.278 1.00 0.00 N flip ATOM 0 H ASN A 61 7.346 -7.490 -10.099 1.00 0.00 H new ATOM 0 HA ASN A 61 6.459 -7.693 -12.913 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.117 -8.243 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.165 -7.954 -11.684 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.499 -9.920 -12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.521 -11.358 -12.548 1.00 0.00 H new ATOM 961 N VAL A 62 6.731 -5.032 -12.016 1.00 0.00 N ATOM 962 CA VAL A 62 6.400 -3.606 -12.050 1.00 0.00 C ATOM 963 C VAL A 62 6.912 -2.937 -13.328 1.00 0.00 C ATOM 964 O VAL A 62 6.164 -2.234 -14.008 1.00 0.00 O ATOM 965 CB VAL A 62 6.963 -2.852 -10.831 1.00 0.00 C ATOM 966 CG1 VAL A 62 6.585 -1.383 -10.901 1.00 0.00 C ATOM 967 CG2 VAL A 62 6.462 -3.471 -9.535 1.00 0.00 C ATOM 0 H VAL A 62 7.726 -5.239 -12.096 1.00 0.00 H new ATOM 0 HA VAL A 62 5.312 -3.551 -12.026 1.00 0.00 H new ATOM 0 HB VAL A 62 8.050 -2.934 -10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.989 -0.862 -10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.995 -0.945 -11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.499 -1.287 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.872 -2.922 -8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.373 -3.423 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.781 -4.512 -9.482 1.00 0.00 H new ATOM 977 N LYS A 63 8.189 -3.161 -13.647 1.00 0.00 N ATOM 978 CA LYS A 63 8.812 -2.589 -14.848 1.00 0.00 C ATOM 979 C LYS A 63 9.273 -1.150 -14.632 1.00 0.00 C ATOM 980 O LYS A 63 8.746 -0.221 -15.242 1.00 0.00 O ATOM 981 CB LYS A 63 7.867 -2.674 -16.056 1.00 0.00 C ATOM 982 CG LYS A 63 8.444 -3.452 -17.227 1.00 0.00 C ATOM 983 CD LYS A 63 9.459 -2.628 -18.002 1.00 0.00 C ATOM 984 CE LYS A 63 10.190 -3.473 -19.034 1.00 0.00 C ATOM 985 NZ LYS A 63 9.270 -3.984 -20.087 1.00 0.00 N ATOM 0 H LYS A 63 8.817 -3.738 -13.088 1.00 0.00 H new ATOM 0 HA LYS A 63 9.699 -3.188 -15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.934 -3.143 -15.744 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.622 -1.665 -16.387 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.918 -4.363 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.638 -3.758 -17.894 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.954 -1.800 -18.500 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.180 -2.192 -17.310 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.978 -2.879 -19.497 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.675 -4.313 -18.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.813 -4.527 -20.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.553 -4.600 -19.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.800 -3.183 -20.556 1.00 0.00 H new ATOM 999 N ASP A 64 10.288 -0.985 -13.784 1.00 0.00 N ATOM 1000 CA ASP A 64 10.864 0.330 -13.499 1.00 0.00 C ATOM 1001 C ASP A 64 9.844 1.281 -12.880 1.00 0.00 C ATOM 1002 O ASP A 64 9.999 1.718 -11.739 1.00 0.00 O ATOM 1003 CB ASP A 64 11.432 0.944 -14.781 1.00 0.00 C ATOM 1004 CG ASP A 64 12.888 0.585 -14.998 1.00 0.00 C ATOM 1005 OD1 ASP A 64 13.246 -0.594 -14.793 1.00 0.00 O ATOM 1006 OD2 ASP A 64 13.672 1.483 -15.373 1.00 0.00 O ATOM 0 H ASP A 64 10.732 -1.752 -13.279 1.00 0.00 H new ATOM 0 HA ASP A 64 11.664 0.184 -12.773 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.846 0.603 -15.634 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.331 2.028 -14.737 1.00 0.00 H new ATOM 1011 N LYS A 65 8.805 1.600 -13.640 1.00 0.00 N ATOM 1012 CA LYS A 65 7.758 2.505 -13.168 1.00 0.00 C ATOM 1013 C LYS A 65 7.119 1.963 -11.908 1.00 0.00 C ATOM 1014 O LYS A 65 6.306 1.042 -11.963 1.00 0.00 O ATOM 1015 CB LYS A 65 6.690 2.688 -14.236 1.00 0.00 C ATOM 1016 CG LYS A 65 6.983 3.814 -15.215 1.00 0.00 C ATOM 1017 CD LYS A 65 8.172 3.490 -16.106 1.00 0.00 C ATOM 1018 CE LYS A 65 7.753 2.677 -17.320 1.00 0.00 C ATOM 1019 NZ LYS A 65 7.125 3.527 -18.369 1.00 0.00 N ATOM 0 H LYS A 65 8.662 1.247 -14.586 1.00 0.00 H new ATOM 0 HA LYS A 65 8.217 3.469 -12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.582 1.756 -14.791 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.734 2.882 -13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.104 3.996 -15.833 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.181 4.733 -14.664 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.646 4.416 -16.433 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.916 2.935 -15.534 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.624 2.171 -17.736 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.051 1.902 -17.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.481 2.948 -18.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.590 4.296 -17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.865 3.931 -18.978 1.00 0.00 H new ATOM 1033 N ASP A 66 7.481 2.538 -10.774 1.00 0.00 N ATOM 1034 CA ASP A 66 6.919 2.084 -9.512 1.00 0.00 C ATOM 1035 C ASP A 66 6.866 3.154 -8.432 1.00 0.00 C ATOM 1036 O ASP A 66 7.884 3.593 -7.909 1.00 0.00 O ATOM 1037 CB ASP A 66 7.737 0.907 -8.980 1.00 0.00 C ATOM 1038 CG ASP A 66 7.021 0.154 -7.875 1.00 0.00 C ATOM 1039 OD1 ASP A 66 6.080 0.724 -7.282 1.00 0.00 O ATOM 1040 OD2 ASP A 66 7.401 -1.004 -7.601 1.00 0.00 O ATOM 0 H ASP A 66 8.149 3.306 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 66 5.890 1.799 -9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.957 0.222 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.693 1.273 -8.605 1.00 0.00 H new ATOM 1045 N THR A 67 5.645 3.460 -8.035 1.00 0.00 N ATOM 1046 CA THR A 67 5.366 4.354 -6.927 1.00 0.00 C ATOM 1047 C THR A 67 4.516 3.533 -5.974 1.00 0.00 C ATOM 1048 O THR A 67 3.554 2.902 -6.413 1.00 0.00 O ATOM 1049 CB THR A 67 4.641 5.622 -7.384 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.227 6.136 -8.567 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.657 6.726 -6.348 1.00 0.00 C ATOM 0 H THR A 67 4.806 3.088 -8.480 1.00 0.00 H new ATOM 0 HA THR A 67 6.281 4.711 -6.454 1.00 0.00 H new ATOM 0 HB THR A 67 3.608 5.319 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.749 6.945 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.126 7.596 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.168 6.378 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.688 7.000 -6.124 1.00 0.00 H new ATOM 1059 N LEU A 68 4.866 3.475 -4.704 1.00 0.00 N ATOM 1060 CA LEU A 68 4.100 2.643 -3.794 1.00 0.00 C ATOM 1061 C LEU A 68 3.728 3.344 -2.510 1.00 0.00 C ATOM 1062 O LEU A 68 4.566 3.942 -1.844 1.00 0.00 O ATOM 1063 CB LEU A 68 4.891 1.380 -3.471 1.00 0.00 C ATOM 1064 CG LEU A 68 4.051 0.157 -3.108 1.00 0.00 C ATOM 1065 CD1 LEU A 68 3.582 -0.555 -4.367 1.00 0.00 C ATOM 1066 CD2 LEU A 68 4.850 -0.787 -2.222 1.00 0.00 C ATOM 0 H LEU A 68 5.650 3.976 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 68 3.167 2.399 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.512 1.131 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.565 1.596 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 68 3.172 0.487 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.985 -1.424 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.978 0.126 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.447 -0.878 -4.946 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.239 -1.654 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.744 -1.114 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.139 -0.270 -1.307 1.00 0.00 H new ATOM 1078 N VAL A 69 2.471 3.206 -2.138 1.00 0.00 N ATOM 1079 CA VAL A 69 1.988 3.760 -0.897 1.00 0.00 C ATOM 1080 C VAL A 69 1.401 2.619 -0.095 1.00 0.00 C ATOM 1081 O VAL A 69 0.492 1.940 -0.567 1.00 0.00 O ATOM 1082 CB VAL A 69 0.918 4.845 -1.121 1.00 0.00 C ATOM 1083 CG1 VAL A 69 0.740 5.686 0.132 1.00 0.00 C ATOM 1084 CG2 VAL A 69 1.278 5.723 -2.310 1.00 0.00 C ATOM 0 H VAL A 69 1.765 2.711 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 69 2.814 4.239 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.028 4.350 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.020 6.447 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.427 5.047 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.685 6.168 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.508 6.482 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.237 6.208 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.348 5.109 -3.208 1.00 0.00 H new ATOM 1094 N PHE A 70 1.908 2.377 1.103 1.00 0.00 N ATOM 1095 CA PHE A 70 1.377 1.276 1.882 1.00 0.00 C ATOM 1096 C PHE A 70 0.419 1.809 2.913 1.00 0.00 C ATOM 1097 O PHE A 70 0.531 2.953 3.346 1.00 0.00 O ATOM 1098 CB PHE A 70 2.506 0.472 2.550 1.00 0.00 C ATOM 1099 CG PHE A 70 3.305 1.242 3.572 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.189 2.236 3.179 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.177 0.966 4.928 1.00 0.00 C ATOM 1102 CE1 PHE A 70 4.923 2.941 4.114 1.00 0.00 C ATOM 1103 CE2 PHE A 70 3.910 1.669 5.865 1.00 0.00 C ATOM 1104 CZ PHE A 70 4.783 2.658 5.458 1.00 0.00 C ATOM 0 H PHE A 70 2.660 2.908 1.543 1.00 0.00 H new ATOM 0 HA PHE A 70 0.845 0.598 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.074 -0.405 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.183 0.110 1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.305 2.462 2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.497 0.193 5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.606 3.713 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.800 1.445 6.916 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.355 3.209 6.189 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.536 0.977 3.283 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.554 1.369 4.239 1.00 0.00 C ATOM 1116 C HIS A 71 -1.956 0.189 5.110 1.00 0.00 C ATOM 1117 O HIS A 71 -1.316 -0.862 5.076 1.00 0.00 O ATOM 1118 CB HIS A 71 -2.783 1.897 3.485 1.00 0.00 C ATOM 1119 CG HIS A 71 -2.549 3.144 2.683 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.465 3.973 2.865 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -3.279 3.701 1.685 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -1.537 4.986 2.019 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -2.627 4.843 1.291 1.00 0.00 N ATOM 0 H HIS A 71 -0.628 0.023 2.935 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.150 2.151 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.143 1.115 2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.577 2.091 4.206 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.721 3.828 3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.202 3.317 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.824 5.793 1.938 1.00 0.00 H new ATOM 1132 N SER A 72 -3.023 0.383 5.885 1.00 0.00 N ATOM 1133 CA SER A 72 -3.557 -0.639 6.790 1.00 0.00 C ATOM 1134 C SER A 72 -3.925 -0.001 8.118 1.00 0.00 C ATOM 1135 O SER A 72 -5.101 0.189 8.426 1.00 0.00 O ATOM 1136 CB SER A 72 -2.555 -1.775 7.033 1.00 0.00 C ATOM 1137 OG SER A 72 -2.938 -2.563 8.147 1.00 0.00 O ATOM 0 H SER A 72 -3.546 1.259 5.904 1.00 0.00 H new ATOM 0 HA SER A 72 -4.440 -1.068 6.317 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.490 -2.403 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.562 -1.358 7.202 1.00 0.00 H new ATOM 0 HG SER A 72 -2.284 -3.281 8.280 1.00 0.00 H new ATOM 1143 N ALA A 73 -2.905 0.338 8.898 1.00 0.00 N ATOM 1144 CA ALA A 73 -3.117 0.964 10.191 1.00 0.00 C ATOM 1145 C ALA A 73 -1.926 1.828 10.614 1.00 0.00 C ATOM 1146 O ALA A 73 -1.875 2.300 11.749 1.00 0.00 O ATOM 1147 CB ALA A 73 -3.412 -0.094 11.241 1.00 0.00 C ATOM 0 H ALA A 73 -1.926 0.189 8.655 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.977 1.628 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.569 0.386 12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.309 -0.646 10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.570 -0.782 11.311 1.00 0.00 H new ATOM 1153 N LEU A 74 -0.972 2.055 9.703 1.00 0.00 N ATOM 1154 CA LEU A 74 0.195 2.888 10.024 1.00 0.00 C ATOM 1155 C LEU A 74 -0.263 4.162 10.693 1.00 0.00 C ATOM 1156 O LEU A 74 0.426 4.721 11.546 1.00 0.00 O ATOM 1157 CB LEU A 74 1.056 3.234 8.793 1.00 0.00 C ATOM 1158 CG LEU A 74 0.762 2.461 7.508 1.00 0.00 C ATOM 1159 CD1 LEU A 74 0.893 0.960 7.728 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -0.617 2.819 6.989 1.00 0.00 C ATOM 0 H LEU A 74 -0.982 1.682 8.754 1.00 0.00 H new ATOM 0 HA LEU A 74 0.824 2.303 10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.939 4.297 8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.102 3.074 9.054 1.00 0.00 H new ATOM 0 HG LEU A 74 1.499 2.746 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.678 0.436 6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.908 0.727 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.187 0.642 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.817 2.263 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.366 2.564 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.661 3.888 6.781 1.00 0.00 H new ATOM 1172 N SER A 75 -1.448 4.597 10.305 1.00 0.00 N ATOM 1173 CA SER A 75 -2.047 5.797 10.868 1.00 0.00 C ATOM 1174 C SER A 75 -1.842 5.848 12.383 1.00 0.00 C ATOM 1175 O SER A 75 -1.714 6.930 12.954 1.00 0.00 O ATOM 1176 CB SER A 75 -3.541 5.851 10.539 1.00 0.00 C ATOM 1177 OG SER A 75 -4.011 4.593 10.086 1.00 0.00 O ATOM 0 H SER A 75 -2.019 4.135 9.598 1.00 0.00 H new ATOM 0 HA SER A 75 -1.555 6.662 10.424 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.100 6.154 11.424 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.721 6.606 9.774 1.00 0.00 H new ATOM 0 HG SER A 75 -4.968 4.655 9.884 1.00 0.00 H new ATOM 1183 N GLN A 76 -1.801 4.675 13.034 1.00 0.00 N ATOM 1184 CA GLN A 76 -1.602 4.632 14.487 1.00 0.00 C ATOM 1185 C GLN A 76 -1.620 3.208 15.068 1.00 0.00 C ATOM 1186 O GLN A 76 -2.388 2.933 15.990 1.00 0.00 O ATOM 1187 CB GLN A 76 -2.678 5.470 15.188 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.079 4.888 15.062 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.073 5.870 14.473 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -5.448 5.650 13.218 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -5.498 6.816 15.138 1.00 0.00 N flip ATOM 0 H GLN A 76 -1.901 3.763 12.587 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.608 5.042 14.669 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.425 5.562 16.244 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.672 6.477 14.770 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.042 3.996 14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.426 4.573 16.046 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.182 6.946 16.099 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.166 7.469 14.728 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.760 2.312 14.569 1.00 0.00 N ATOM 1201 CA VAL A 77 -0.696 0.942 15.107 1.00 0.00 C ATOM 1202 C VAL A 77 0.260 0.037 14.318 1.00 0.00 C ATOM 1203 O VAL A 77 1.421 -0.123 14.690 1.00 0.00 O ATOM 1204 CB VAL A 77 -2.085 0.255 15.182 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -2.664 0.361 16.586 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -3.050 0.829 14.154 1.00 0.00 C ATOM 0 H VAL A 77 -0.109 2.502 13.808 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.311 1.067 16.119 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.944 -0.800 14.946 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.638 -0.127 16.616 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.993 -0.125 17.294 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.776 1.411 16.855 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.012 0.324 14.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.184 1.895 14.336 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.646 0.680 13.153 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.248 -0.576 13.251 1.00 0.00 N ATOM 1217 CA ARG A 78 0.536 -1.494 12.419 1.00 0.00 C ATOM 1218 C ARG A 78 1.669 -0.795 11.687 1.00 0.00 C ATOM 1219 O ARG A 78 2.641 -1.438 11.307 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.372 -2.207 11.414 1.00 0.00 C ATOM 1221 CG ARG A 78 -0.899 -3.543 11.912 1.00 0.00 C ATOM 1222 CD ARG A 78 -2.044 -3.359 12.895 1.00 0.00 C ATOM 1223 NE ARG A 78 -3.347 -3.514 12.252 1.00 0.00 N ATOM 1224 CZ ARG A 78 -4.495 -3.117 12.797 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -4.505 -2.542 13.993 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -5.636 -3.296 12.144 1.00 0.00 N ATOM 0 H ARG A 78 -1.211 -0.453 12.937 1.00 0.00 H new ATOM 0 HA ARG A 78 0.986 -2.225 13.091 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.216 -1.559 11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.180 -2.366 10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.237 -4.140 11.065 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.092 -4.098 12.391 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.949 -4.085 13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.978 -2.369 13.347 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.379 -3.952 11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.630 -2.402 14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.387 -2.240 14.406 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.634 -3.738 11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.516 -2.992 12.561 1.00 0.00 H new ATOM 1240 N GLY A 79 1.534 0.507 11.467 1.00 0.00 N ATOM 1241 CA GLY A 79 2.564 1.264 10.757 1.00 0.00 C ATOM 1242 C GLY A 79 3.947 0.647 10.880 1.00 0.00 C ATOM 1243 O GLY A 79 4.522 0.209 9.884 1.00 0.00 O ATOM 0 H GLY A 79 0.730 1.059 11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.295 1.332 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.591 2.282 11.145 1.00 0.00 H new ATOM 1247 N PRO A 80 4.498 0.577 12.102 1.00 0.00 N ATOM 1248 CA PRO A 80 5.813 -0.020 12.336 1.00 0.00 C ATOM 1249 C PRO A 80 5.879 -1.446 11.802 1.00 0.00 C ATOM 1250 O PRO A 80 6.918 -1.883 11.308 1.00 0.00 O ATOM 1251 CB PRO A 80 5.953 -0.008 13.861 1.00 0.00 C ATOM 1252 CG PRO A 80 5.022 1.059 14.323 1.00 0.00 C ATOM 1253 CD PRO A 80 3.878 1.055 13.349 1.00 0.00 C ATOM 0 HA PRO A 80 6.611 0.523 11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.689 -0.975 14.290 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.979 0.205 14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.673 0.861 15.337 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.518 2.030 14.340 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.073 0.397 13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.448 2.049 13.229 1.00 0.00 H new ATOM 1261 N THR A 81 4.758 -2.166 11.890 1.00 0.00 N ATOM 1262 CA THR A 81 4.693 -3.537 11.398 1.00 0.00 C ATOM 1263 C THR A 81 4.866 -3.573 9.883 1.00 0.00 C ATOM 1264 O THR A 81 5.671 -4.343 9.361 1.00 0.00 O ATOM 1265 CB THR A 81 3.359 -4.175 11.779 1.00 0.00 C ATOM 1266 OG1 THR A 81 3.058 -3.937 13.143 1.00 0.00 O ATOM 1267 CG2 THR A 81 3.325 -5.672 11.554 1.00 0.00 C ATOM 0 H THR A 81 3.888 -1.821 12.296 1.00 0.00 H new ATOM 0 HA THR A 81 5.504 -4.102 11.858 1.00 0.00 H new ATOM 0 HB THR A 81 2.621 -3.709 11.126 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.199 -4.353 13.366 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.349 -6.062 11.845 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.501 -5.886 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.100 -6.148 12.155 1.00 0.00 H new ATOM 1275 N CYS A 82 4.111 -2.729 9.178 1.00 0.00 N ATOM 1276 CA CYS A 82 4.196 -2.667 7.723 1.00 0.00 C ATOM 1277 C CYS A 82 5.618 -2.323 7.306 1.00 0.00 C ATOM 1278 O CYS A 82 6.209 -2.987 6.453 1.00 0.00 O ATOM 1279 CB CYS A 82 3.220 -1.625 7.175 1.00 0.00 C ATOM 1280 SG CYS A 82 1.496 -2.169 7.151 1.00 0.00 S ATOM 0 H CYS A 82 3.438 -2.083 9.591 1.00 0.00 H new ATOM 0 HA CYS A 82 3.928 -3.640 7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.296 -0.720 7.777 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.520 -1.359 6.161 1.00 0.00 H new ATOM 0 HG CYS A 82 0.881 -1.619 6.146 1.00 0.00 H new ATOM 1286 N ALA A 83 6.171 -1.294 7.942 1.00 0.00 N ATOM 1287 CA ALA A 83 7.534 -0.888 7.663 1.00 0.00 C ATOM 1288 C ALA A 83 8.471 -2.031 8.018 1.00 0.00 C ATOM 1289 O ALA A 83 9.496 -2.237 7.368 1.00 0.00 O ATOM 1290 CB ALA A 83 7.894 0.374 8.433 1.00 0.00 C ATOM 0 H ALA A 83 5.695 -0.733 8.649 1.00 0.00 H new ATOM 0 HA ALA A 83 7.633 -0.657 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.922 0.658 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.222 1.182 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.796 0.188 9.503 1.00 0.00 H new ATOM 1296 N ARG A 84 8.081 -2.807 9.034 1.00 0.00 N ATOM 1297 CA ARG A 84 8.860 -3.965 9.441 1.00 0.00 C ATOM 1298 C ARG A 84 8.939 -4.921 8.263 1.00 0.00 C ATOM 1299 O ARG A 84 9.955 -5.575 8.038 1.00 0.00 O ATOM 1300 CB ARG A 84 8.227 -4.660 10.649 1.00 0.00 C ATOM 1301 CG ARG A 84 9.220 -5.463 11.476 1.00 0.00 C ATOM 1302 CD ARG A 84 8.639 -6.800 11.906 1.00 0.00 C ATOM 1303 NE ARG A 84 8.334 -7.658 10.763 1.00 0.00 N ATOM 1304 CZ ARG A 84 7.499 -8.693 10.815 1.00 0.00 C ATOM 1305 NH1 ARG A 84 6.883 -9.003 11.950 1.00 0.00 N ATOM 1306 NH2 ARG A 84 7.278 -9.422 9.730 1.00 0.00 N ATOM 0 H ARG A 84 7.235 -2.650 9.582 1.00 0.00 H new ATOM 0 HA ARG A 84 9.859 -3.646 9.737 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.759 -3.909 11.286 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.434 -5.323 10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.127 -5.630 10.895 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.507 -4.890 12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.346 -7.308 12.562 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.731 -6.631 12.485 1.00 0.00 H new ATOM 0 HE ARG A 84 8.788 -7.451 9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.049 -8.447 12.789 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.244 -9.798 11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.748 -9.190 8.855 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.638 -10.215 9.770 1.00 0.00 H new ATOM 1320 N ARG A 85 7.851 -4.959 7.495 1.00 0.00 N ATOM 1321 CA ARG A 85 7.774 -5.789 6.306 1.00 0.00 C ATOM 1322 C ARG A 85 8.822 -5.319 5.312 1.00 0.00 C ATOM 1323 O ARG A 85 9.534 -6.116 4.706 1.00 0.00 O ATOM 1324 CB ARG A 85 6.373 -5.689 5.691 1.00 0.00 C ATOM 1325 CG ARG A 85 5.976 -6.887 4.845 1.00 0.00 C ATOM 1326 CD ARG A 85 5.593 -6.473 3.430 1.00 0.00 C ATOM 1327 NE ARG A 85 6.579 -5.585 2.824 1.00 0.00 N ATOM 1328 CZ ARG A 85 7.833 -5.937 2.567 1.00 0.00 C ATOM 1329 NH1 ARG A 85 8.259 -7.159 2.853 1.00 0.00 N ATOM 1330 NH2 ARG A 85 8.660 -5.067 2.007 1.00 0.00 N ATOM 0 H ARG A 85 7.007 -4.418 7.682 1.00 0.00 H new ATOM 0 HA ARG A 85 7.962 -6.831 6.567 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.645 -5.567 6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.322 -4.791 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.803 -7.596 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.137 -7.402 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.481 -7.364 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.623 -5.975 3.450 1.00 0.00 H new ATOM 0 HE ARG A 85 6.288 -4.638 2.583 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.622 -7.836 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.224 -7.423 2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.333 -4.129 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.624 -5.335 1.808 1.00 0.00 H new ATOM 1344 N LEU A 86 8.944 -4.000 5.182 1.00 0.00 N ATOM 1345 CA LEU A 86 9.944 -3.438 4.290 1.00 0.00 C ATOM 1346 C LEU A 86 11.310 -3.944 4.724 1.00 0.00 C ATOM 1347 O LEU A 86 12.161 -4.283 3.902 1.00 0.00 O ATOM 1348 CB LEU A 86 9.899 -1.909 4.331 1.00 0.00 C ATOM 1349 CG LEU A 86 8.540 -1.292 3.994 1.00 0.00 C ATOM 1350 CD1 LEU A 86 8.635 0.225 3.969 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.034 -1.818 2.659 1.00 0.00 C ATOM 0 H LEU A 86 8.372 -3.314 5.675 1.00 0.00 H new ATOM 0 HA LEU A 86 9.743 -3.748 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.194 -1.579 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.641 -1.520 3.633 1.00 0.00 H new ATOM 0 HG LEU A 86 7.829 -1.578 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.659 0.647 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.954 0.586 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.359 0.532 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.066 -1.369 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.745 -1.561 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.928 -2.902 2.711 1.00 0.00 H new ATOM 1363 N VAL A 87 11.488 -4.018 6.038 1.00 0.00 N ATOM 1364 CA VAL A 87 12.721 -4.513 6.625 1.00 0.00 C ATOM 1365 C VAL A 87 12.932 -6.002 6.343 1.00 0.00 C ATOM 1366 O VAL A 87 14.058 -6.432 6.110 1.00 0.00 O ATOM 1367 CB VAL A 87 12.751 -4.283 8.146 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.124 -4.613 8.710 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.362 -2.851 8.477 1.00 0.00 C ATOM 0 H VAL A 87 10.784 -3.737 6.721 1.00 0.00 H new ATOM 0 HA VAL A 87 13.528 -3.949 6.158 1.00 0.00 H new ATOM 0 HB VAL A 87 12.024 -4.950 8.609 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.125 -4.444 9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.360 -5.658 8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.873 -3.974 8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.389 -2.707 9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.063 -2.165 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.355 -2.653 8.110 1.00 0.00 H new ATOM 1379 N ASN A 88 11.854 -6.797 6.391 1.00 0.00 N ATOM 1380 CA ASN A 88 11.975 -8.239 6.166 1.00 0.00 C ATOM 1381 C ASN A 88 12.456 -8.552 4.756 1.00 0.00 C ATOM 1382 O ASN A 88 13.428 -9.288 4.585 1.00 0.00 O ATOM 1383 CB ASN A 88 10.654 -8.971 6.475 1.00 0.00 C ATOM 1384 CG ASN A 88 9.688 -9.038 5.298 1.00 0.00 C ATOM 1385 OD1 ASN A 88 8.816 -8.189 5.154 1.00 0.00 O ATOM 1386 ND2 ASN A 88 9.821 -10.066 4.462 1.00 0.00 N ATOM 0 H ASN A 88 10.906 -6.471 6.580 1.00 0.00 H new ATOM 0 HA ASN A 88 12.731 -8.608 6.859 1.00 0.00 H new ATOM 0 HB2 ASN A 88 10.882 -9.986 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.160 -8.471 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.185 -10.165 3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 88 10.559 -10.754 4.613 1.00 0.00 H new ATOM 1393 N TYR A 89 11.796 -7.999 3.745 1.00 0.00 N ATOM 1394 CA TYR A 89 12.220 -8.259 2.373 1.00 0.00 C ATOM 1395 C TYR A 89 13.589 -7.652 2.133 1.00 0.00 C ATOM 1396 O TYR A 89 14.482 -8.302 1.589 1.00 0.00 O ATOM 1397 CB TYR A 89 11.213 -7.710 1.367 1.00 0.00 C ATOM 1398 CG TYR A 89 11.641 -7.877 -0.072 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.580 -7.029 -0.639 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.090 -8.875 -0.864 1.00 0.00 C ATOM 1401 CE1 TYR A 89 12.964 -7.171 -1.954 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.461 -9.030 -2.185 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.407 -8.167 -2.726 1.00 0.00 C ATOM 1404 OH TYR A 89 12.801 -8.292 -4.036 1.00 0.00 O ATOM 0 H TYR A 89 10.988 -7.385 3.842 1.00 0.00 H new ATOM 0 HA TYR A 89 12.275 -9.338 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.256 -8.212 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.052 -6.651 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.017 -6.244 -0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.356 -9.544 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.699 -6.504 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.023 -9.810 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 89 13.659 -8.764 -4.076 1.00 0.00 H new ATOM 1414 N LEU A 90 13.760 -6.408 2.565 1.00 0.00 N ATOM 1415 CA LEU A 90 15.038 -5.736 2.413 1.00 0.00 C ATOM 1416 C LEU A 90 16.128 -6.593 3.044 1.00 0.00 C ATOM 1417 O LEU A 90 17.255 -6.653 2.557 1.00 0.00 O ATOM 1418 CB LEU A 90 15.004 -4.353 3.068 1.00 0.00 C ATOM 1419 CG LEU A 90 16.190 -3.447 2.730 1.00 0.00 C ATOM 1420 CD1 LEU A 90 16.010 -2.826 1.353 1.00 0.00 C ATOM 1421 CD2 LEU A 90 16.353 -2.366 3.787 1.00 0.00 C ATOM 0 H LEU A 90 13.035 -5.851 3.019 1.00 0.00 H new ATOM 0 HA LEU A 90 15.247 -5.599 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.085 -3.849 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.961 -4.481 4.150 1.00 0.00 H new ATOM 0 HG LEU A 90 17.095 -4.054 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.862 -2.185 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.943 -3.615 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.096 -2.233 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.201 -1.731 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.447 -1.761 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.528 -2.830 4.758 1.00 0.00 H new ATOM 1433 N ASP A 91 15.763 -7.279 4.125 1.00 0.00 N ATOM 1434 CA ASP A 91 16.684 -8.164 4.821 1.00 0.00 C ATOM 1435 C ASP A 91 16.986 -9.388 3.965 1.00 0.00 C ATOM 1436 O ASP A 91 18.078 -9.953 4.031 1.00 0.00 O ATOM 1437 CB ASP A 91 16.092 -8.608 6.163 1.00 0.00 C ATOM 1438 CG ASP A 91 17.155 -9.085 7.133 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.018 -9.887 6.720 1.00 0.00 O ATOM 1440 OD2 ASP A 91 17.124 -8.655 8.306 1.00 0.00 O ATOM 0 H ASP A 91 14.831 -7.236 4.537 1.00 0.00 H new ATOM 0 HA ASP A 91 17.609 -7.618 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.544 -7.777 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.373 -9.409 5.993 1.00 0.00 H new ATOM 1445 N GLU A 92 16.002 -9.800 3.167 1.00 0.00 N ATOM 1446 CA GLU A 92 16.153 -10.966 2.306 1.00 0.00 C ATOM 1447 C GLU A 92 17.077 -10.682 1.124 1.00 0.00 C ATOM 1448 O GLU A 92 18.081 -11.368 0.935 1.00 0.00 O ATOM 1449 CB GLU A 92 14.786 -11.426 1.796 1.00 0.00 C ATOM 1450 CG GLU A 92 14.701 -12.923 1.550 1.00 0.00 C ATOM 1451 CD GLU A 92 15.797 -13.424 0.630 1.00 0.00 C ATOM 1452 OE1 GLU A 92 16.927 -13.641 1.116 1.00 0.00 O ATOM 1453 OE2 GLU A 92 15.525 -13.599 -0.576 1.00 0.00 O ATOM 0 H GLU A 92 15.093 -9.342 3.101 1.00 0.00 H new ATOM 0 HA GLU A 92 16.606 -11.758 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.023 -11.141 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.558 -10.900 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.763 -13.448 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.730 -13.162 1.117 1.00 0.00 H new ATOM 1460 N LYS A 93 16.725 -9.683 0.318 1.00 0.00 N ATOM 1461 CA LYS A 93 17.524 -9.341 -0.855 1.00 0.00 C ATOM 1462 C LYS A 93 18.382 -8.098 -0.626 1.00 0.00 C ATOM 1463 O LYS A 93 19.539 -8.053 -1.041 1.00 0.00 O ATOM 1464 CB LYS A 93 16.615 -9.124 -2.066 1.00 0.00 C ATOM 1465 CG LYS A 93 17.374 -8.852 -3.355 1.00 0.00 C ATOM 1466 CD LYS A 93 18.151 -10.076 -3.813 1.00 0.00 C ATOM 1467 CE LYS A 93 17.322 -10.952 -4.739 1.00 0.00 C ATOM 1468 NZ LYS A 93 17.297 -12.371 -4.288 1.00 0.00 N ATOM 0 H LYS A 93 15.899 -9.101 0.454 1.00 0.00 H new ATOM 0 HA LYS A 93 18.197 -10.178 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.988 -10.005 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.947 -8.286 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.674 -8.552 -4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.061 -8.019 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.059 -9.760 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.462 -10.656 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.303 -10.568 -4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.729 -10.899 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.722 -12.934 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.267 -12.746 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.885 -12.425 -3.335 1.00 0.00 H new ATOM 1482 N LYS A 94 17.808 -7.087 0.022 1.00 0.00 N ATOM 1483 CA LYS A 94 18.523 -5.837 0.288 1.00 0.00 C ATOM 1484 C LYS A 94 18.594 -4.978 -0.969 1.00 0.00 C ATOM 1485 O LYS A 94 19.539 -4.213 -1.159 1.00 0.00 O ATOM 1486 CB LYS A 94 19.939 -6.110 0.809 1.00 0.00 C ATOM 1487 CG LYS A 94 20.013 -7.240 1.824 1.00 0.00 C ATOM 1488 CD LYS A 94 20.363 -6.724 3.212 1.00 0.00 C ATOM 1489 CE LYS A 94 21.845 -6.406 3.330 1.00 0.00 C ATOM 1490 NZ LYS A 94 22.190 -5.117 2.670 1.00 0.00 N ATOM 0 H LYS A 94 16.851 -7.107 0.373 1.00 0.00 H new ATOM 0 HA LYS A 94 17.968 -5.298 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.587 -6.349 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.331 -5.200 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.056 -7.761 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.760 -7.967 1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 94 19.779 -5.829 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.089 -7.470 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.124 -6.361 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.426 -7.211 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.050 -4.724 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.357 -5.280 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.405 -4.445 2.788 1.00 0.00 H new ATOM 1504 N GLU A 95 17.584 -5.108 -1.821 1.00 0.00 N ATOM 1505 CA GLU A 95 17.522 -4.343 -3.058 1.00 0.00 C ATOM 1506 C GLU A 95 16.366 -3.352 -3.014 1.00 0.00 C ATOM 1507 O GLU A 95 15.772 -3.025 -4.041 1.00 0.00 O ATOM 1508 CB GLU A 95 17.360 -5.282 -4.255 1.00 0.00 C ATOM 1509 CG GLU A 95 18.402 -5.071 -5.342 1.00 0.00 C ATOM 1510 CD GLU A 95 17.821 -5.191 -6.737 1.00 0.00 C ATOM 1511 OE1 GLU A 95 16.859 -5.967 -6.916 1.00 0.00 O ATOM 1512 OE2 GLU A 95 18.328 -4.508 -7.652 1.00 0.00 O ATOM 0 H GLU A 95 16.795 -5.738 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 95 18.454 -3.789 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 95 17.415 -6.313 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.367 -5.143 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.851 -4.085 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.201 -5.802 -5.221 1.00 0.00 H new ATOM 1519 N ASP A 96 16.046 -2.885 -1.812 1.00 0.00 N ATOM 1520 CA ASP A 96 14.954 -1.939 -1.624 1.00 0.00 C ATOM 1521 C ASP A 96 13.639 -2.539 -2.109 1.00 0.00 C ATOM 1522 O ASP A 96 13.631 -3.545 -2.818 1.00 0.00 O ATOM 1523 CB ASP A 96 15.243 -0.633 -2.369 1.00 0.00 C ATOM 1524 CG ASP A 96 15.795 0.442 -1.453 1.00 0.00 C ATOM 1525 OD1 ASP A 96 16.877 0.225 -0.868 1.00 0.00 O ATOM 1526 OD2 ASP A 96 15.145 1.500 -1.320 1.00 0.00 O ATOM 0 H ASP A 96 16.529 -3.147 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 96 14.868 -1.723 -0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.956 -0.825 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.326 -0.273 -2.836 1.00 0.00 H new ATOM 1531 N THR A 97 12.530 -1.918 -1.724 1.00 0.00 N ATOM 1532 CA THR A 97 11.214 -2.399 -2.125 1.00 0.00 C ATOM 1533 C THR A 97 11.038 -2.322 -3.640 1.00 0.00 C ATOM 1534 O THR A 97 10.124 -2.930 -4.195 1.00 0.00 O ATOM 1535 CB THR A 97 10.116 -1.592 -1.432 1.00 0.00 C ATOM 1536 OG1 THR A 97 10.602 -1.006 -0.238 1.00 0.00 O ATOM 1537 CG2 THR A 97 8.901 -2.420 -1.076 1.00 0.00 C ATOM 0 H THR A 97 12.516 -1.084 -1.137 1.00 0.00 H new ATOM 0 HA THR A 97 11.134 -3.443 -1.822 1.00 0.00 H new ATOM 0 HB THR A 97 9.818 -0.830 -2.152 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.885 -0.493 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.160 -1.787 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.473 -2.846 -1.983 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.194 -3.224 -0.401 1.00 0.00 H new ATOM 1545 N GLY A 98 11.914 -1.571 -4.306 1.00 0.00 N ATOM 1546 CA GLY A 98 11.823 -1.437 -5.747 1.00 0.00 C ATOM 1547 C GLY A 98 11.077 -0.189 -6.166 1.00 0.00 C ATOM 1548 O GLY A 98 11.232 0.294 -7.288 1.00 0.00 O ATOM 0 H GLY A 98 12.681 -1.056 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.827 -1.416 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.321 -2.312 -6.159 1.00 0.00 H new ATOM 1552 N ILE A 99 10.259 0.324 -5.260 1.00 0.00 N ATOM 1553 CA ILE A 99 9.467 1.518 -5.528 1.00 0.00 C ATOM 1554 C ILE A 99 10.337 2.751 -5.695 1.00 0.00 C ATOM 1555 O ILE A 99 11.300 2.954 -4.956 1.00 0.00 O ATOM 1556 CB ILE A 99 8.439 1.815 -4.409 1.00 0.00 C ATOM 1557 CG1 ILE A 99 9.080 2.588 -3.247 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.802 0.540 -3.897 1.00 0.00 C ATOM 1559 CD1 ILE A 99 10.266 1.887 -2.620 1.00 0.00 C ATOM 0 H ILE A 99 10.125 -0.069 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 99 8.939 1.302 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 99 7.661 2.440 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.398 3.566 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.326 2.761 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.085 0.781 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.288 0.036 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.574 -0.116 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.662 2.497 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.951 0.920 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 99 11.040 1.738 -3.373 1.00 0.00 H new ATOM 1571 N LYS A 100 9.961 3.593 -6.641 1.00 0.00 N ATOM 1572 CA LYS A 100 10.677 4.834 -6.869 1.00 0.00 C ATOM 1573 C LYS A 100 10.402 5.791 -5.713 1.00 0.00 C ATOM 1574 O LYS A 100 11.248 6.608 -5.351 1.00 0.00 O ATOM 1575 CB LYS A 100 10.248 5.468 -8.194 1.00 0.00 C ATOM 1576 CG LYS A 100 11.365 6.229 -8.892 1.00 0.00 C ATOM 1577 CD LYS A 100 10.941 7.646 -9.247 1.00 0.00 C ATOM 1578 CE LYS A 100 11.571 8.669 -8.315 1.00 0.00 C ATOM 1579 NZ LYS A 100 13.052 8.531 -8.256 1.00 0.00 N ATOM 0 H LYS A 100 9.166 3.440 -7.262 1.00 0.00 H new ATOM 0 HA LYS A 100 11.745 4.626 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.880 4.687 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.416 6.148 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.242 6.262 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.657 5.698 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.227 7.865 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.855 7.725 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.313 9.673 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.156 8.552 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.483 9.468 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.312 7.911 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.398 8.117 -9.145 1.00 0.00 H new ATOM 1593 N ASN A 101 9.205 5.672 -5.133 1.00 0.00 N ATOM 1594 CA ASN A 101 8.805 6.514 -4.010 1.00 0.00 C ATOM 1595 C ASN A 101 7.765 5.811 -3.130 1.00 0.00 C ATOM 1596 O ASN A 101 6.712 5.402 -3.612 1.00 0.00 O ATOM 1597 CB ASN A 101 8.233 7.832 -4.535 1.00 0.00 C ATOM 1598 CG ASN A 101 9.195 8.990 -4.368 1.00 0.00 C ATOM 1599 OD1 ASN A 101 10.323 8.813 -3.907 1.00 0.00 O ATOM 1600 ND2 ASN A 101 8.754 10.184 -4.744 1.00 0.00 N ATOM 0 H ASN A 101 8.497 4.999 -5.425 1.00 0.00 H new ATOM 0 HA ASN A 101 9.687 6.711 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.983 7.721 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.305 8.056 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.358 11.002 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.811 10.284 -5.121 1.00 0.00 H new ATOM 1607 N ILE A 102 8.067 5.683 -1.837 1.00 0.00 N ATOM 1608 CA ILE A 102 7.157 5.036 -0.887 1.00 0.00 C ATOM 1609 C ILE A 102 6.440 6.060 0.001 1.00 0.00 C ATOM 1610 O ILE A 102 7.055 6.989 0.514 1.00 0.00 O ATOM 1611 CB ILE A 102 7.887 4.016 0.026 1.00 0.00 C ATOM 1612 CG1 ILE A 102 9.405 4.082 -0.172 1.00 0.00 C ATOM 1613 CG2 ILE A 102 7.375 2.605 -0.237 1.00 0.00 C ATOM 1614 CD1 ILE A 102 10.172 3.108 0.696 1.00 0.00 C ATOM 0 H ILE A 102 8.936 6.019 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 102 6.425 4.506 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 102 7.673 4.278 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.636 3.883 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.747 5.094 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.897 1.902 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.305 2.562 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.556 2.341 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.240 3.211 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.971 3.321 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.858 2.090 0.466 1.00 0.00 H new ATOM 1626 N MET A 103 5.132 5.877 0.179 1.00 0.00 N ATOM 1627 CA MET A 103 4.340 6.785 1.012 1.00 0.00 C ATOM 1628 C MET A 103 3.385 6.013 1.928 1.00 0.00 C ATOM 1629 O MET A 103 3.177 4.814 1.747 1.00 0.00 O ATOM 1630 CB MET A 103 3.555 7.760 0.134 1.00 0.00 C ATOM 1631 CG MET A 103 4.385 8.929 -0.369 1.00 0.00 C ATOM 1632 SD MET A 103 5.340 8.518 -1.843 1.00 0.00 S ATOM 1633 CE MET A 103 5.322 10.087 -2.706 1.00 0.00 C ATOM 0 H MET A 103 4.600 5.114 -0.239 1.00 0.00 H new ATOM 0 HA MET A 103 5.029 7.347 1.642 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.148 7.220 -0.721 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.707 8.144 0.701 1.00 0.00 H new ATOM 0 HG2 MET A 103 3.726 9.769 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.063 9.254 0.420 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.874 9.994 -3.641 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.292 10.373 -2.920 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.789 10.850 -2.083 1.00 0.00 H new ATOM 1643 N ILE A 104 2.812 6.703 2.922 1.00 0.00 N ATOM 1644 CA ILE A 104 1.889 6.062 3.865 1.00 0.00 C ATOM 1645 C ILE A 104 0.606 6.899 4.068 1.00 0.00 C ATOM 1646 O ILE A 104 0.583 8.099 3.802 1.00 0.00 O ATOM 1647 CB ILE A 104 2.604 5.754 5.214 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.606 5.353 6.316 1.00 0.00 C ATOM 1649 CG2 ILE A 104 3.491 6.917 5.651 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.051 6.510 7.120 1.00 0.00 C ATOM 0 H ILE A 104 2.970 7.696 3.093 1.00 0.00 H new ATOM 0 HA ILE A 104 1.575 5.112 3.433 1.00 0.00 H new ATOM 0 HB ILE A 104 3.252 4.893 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.776 4.816 5.857 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.098 4.658 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.975 6.670 6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.250 7.101 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.881 7.811 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.358 6.132 7.871 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.869 7.036 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.526 7.196 6.455 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.478 6.224 4.485 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.790 6.863 4.665 1.00 0.00 C ATOM 1664 C LEU A 105 -1.883 7.787 5.878 1.00 0.00 C ATOM 1665 O LEU A 105 -1.438 7.452 6.975 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.866 5.787 4.837 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.808 5.026 6.166 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -3.542 5.786 7.263 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.391 3.635 6.004 1.00 0.00 C ATOM 0 H LEU A 105 -0.469 5.228 4.705 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.937 7.470 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.846 6.255 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.777 5.071 4.020 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.762 4.935 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.486 5.224 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.080 6.764 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.587 5.915 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.343 3.107 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.430 3.711 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.820 3.086 5.255 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.545 8.924 5.676 1.00 0.00 N ATOM 1682 CA GLU A 106 -2.791 9.872 6.754 1.00 0.00 C ATOM 1683 C GLU A 106 -4.037 9.415 7.514 1.00 0.00 C ATOM 1684 O GLU A 106 -4.107 9.493 8.740 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.991 11.284 6.198 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.185 11.408 5.264 1.00 0.00 C ATOM 1687 CD GLU A 106 -5.466 11.756 5.999 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -5.390 12.095 7.199 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -6.545 11.691 5.373 1.00 0.00 O ATOM 0 H GLU A 106 -2.921 9.210 4.772 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.932 9.902 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.117 11.978 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.090 11.586 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.979 12.175 4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.322 10.469 4.728 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.003 8.901 6.750 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.254 8.372 7.294 1.00 0.00 C ATOM 1698 C ARG A 107 -6.345 6.889 6.974 1.00 0.00 C ATOM 1699 O ARG A 107 -6.749 6.081 7.810 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.456 9.122 6.713 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.782 8.732 7.345 1.00 0.00 C ATOM 1702 CD ARG A 107 -9.673 9.944 7.573 1.00 0.00 C ATOM 1703 NE ARG A 107 -9.001 10.982 8.352 1.00 0.00 N ATOM 1704 CZ ARG A 107 -8.740 10.880 9.653 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -9.095 9.793 10.326 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -8.123 11.870 10.283 1.00 0.00 N ATOM 0 H ARG A 107 -4.939 8.840 5.734 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.265 8.512 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.302 10.193 6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.506 8.935 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.296 8.018 6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.599 8.231 8.295 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.979 10.355 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.581 9.634 8.090 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.715 11.835 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.571 9.029 9.846 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.892 9.721 11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.849 12.708 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.922 11.793 11.280 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.924 6.539 5.765 1.00 0.00 N ATOM 1721 CA GLY A 108 -5.917 5.155 5.354 1.00 0.00 C ATOM 1722 C GLY A 108 -7.270 4.612 4.978 1.00 0.00 C ATOM 1723 O GLY A 108 -7.743 4.809 3.858 1.00 0.00 O ATOM 0 H GLY A 108 -5.586 7.195 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.245 5.045 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.508 4.550 6.163 1.00 0.00 H new ATOM 1727 N PHE A 109 -7.873 3.889 5.905 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.163 3.267 5.652 1.00 0.00 C ATOM 1729 C PHE A 109 -9.978 3.080 6.934 1.00 0.00 C ATOM 1730 O PHE A 109 -11.060 2.497 6.899 1.00 0.00 O ATOM 1731 CB PHE A 109 -8.924 1.921 4.938 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.587 0.722 5.565 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.180 0.255 6.806 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -10.608 0.058 4.906 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -9.783 -0.850 7.377 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -11.212 -1.049 5.471 1.00 0.00 C ATOM 1737 CZ PHE A 109 -10.800 -1.503 6.708 1.00 0.00 C ATOM 0 H PHE A 109 -7.493 3.718 6.836 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.754 3.925 5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.273 2.009 3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.850 1.739 4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -8.383 0.760 7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -10.936 0.410 3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -9.459 -1.202 8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -12.006 -1.559 4.945 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.272 -2.367 7.152 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.470 3.565 8.064 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.193 3.418 9.318 1.00 0.00 C ATOM 1749 C ASN A 110 -11.480 4.229 9.298 1.00 0.00 C ATOM 1750 O ASN A 110 -12.558 3.706 9.570 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.315 3.842 10.493 1.00 0.00 C ATOM 1752 CG ASN A 110 -8.282 2.790 10.849 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -7.984 1.901 10.051 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -7.728 2.887 12.052 1.00 0.00 N ATOM 0 H ASN A 110 -8.578 4.054 8.135 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.454 2.367 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.809 4.776 10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.944 4.039 11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.026 2.208 12.346 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.005 3.640 12.682 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.362 5.502 8.954 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.524 6.359 8.881 1.00 0.00 C ATOM 1763 C GLY A 111 -13.456 5.961 7.758 1.00 0.00 C ATOM 1764 O GLY A 111 -14.675 6.076 7.881 1.00 0.00 O ATOM 0 H GLY A 111 -10.479 5.957 8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.062 6.321 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.204 7.391 8.737 1.00 0.00 H new ATOM 1768 N TRP A 112 -12.877 5.502 6.650 1.00 0.00 N ATOM 1769 CA TRP A 112 -13.668 5.100 5.493 1.00 0.00 C ATOM 1770 C TRP A 112 -14.505 3.862 5.799 1.00 0.00 C ATOM 1771 O TRP A 112 -15.714 3.879 5.626 1.00 0.00 O ATOM 1772 CB TRP A 112 -12.725 4.873 4.293 1.00 0.00 C ATOM 1773 CG TRP A 112 -13.087 3.706 3.430 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -14.335 3.218 3.211 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -12.196 2.888 2.664 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -14.281 2.130 2.406 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -12.981 1.906 2.037 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -10.815 2.884 2.456 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -12.431 0.927 1.213 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -10.269 1.913 1.636 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -11.076 0.946 1.023 1.00 0.00 C ATOM 0 H TRP A 112 -11.869 5.400 6.531 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.371 5.894 5.241 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -12.716 5.774 3.679 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -11.711 4.732 4.666 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -15.242 3.638 3.621 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -15.082 1.567 2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -10.185 3.625 2.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -13.052 0.180 0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -9.203 1.900 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -10.620 0.201 0.388 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.882 2.800 6.267 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.623 1.588 6.587 1.00 0.00 C ATOM 1794 C GLU A 113 -15.536 1.804 7.792 1.00 0.00 C ATOM 1795 O GLU A 113 -16.718 1.461 7.775 1.00 0.00 O ATOM 1796 CB GLU A 113 -13.657 0.438 6.876 1.00 0.00 C ATOM 1797 CG GLU A 113 -14.155 -0.914 6.390 1.00 0.00 C ATOM 1798 CD GLU A 113 -15.387 -1.385 7.137 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -16.479 -0.835 6.887 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -15.259 -2.305 7.971 1.00 0.00 O ATOM 0 H GLU A 113 -12.877 2.746 6.434 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.240 1.336 5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.698 0.653 6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.479 0.385 7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.382 -0.852 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.361 -1.652 6.505 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.940 2.336 8.851 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.622 2.574 10.122 1.00 0.00 C ATOM 1809 C ALA A 114 -16.708 3.645 10.101 1.00 0.00 C ATOM 1810 O ALA A 114 -17.795 3.439 10.641 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.593 2.995 11.145 1.00 0.00 C ATOM 0 H ALA A 114 -13.960 2.618 8.855 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.122 1.635 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.084 3.177 12.101 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.852 2.204 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.100 3.908 10.811 1.00 0.00 H new ATOM 1817 N SER A 115 -16.384 4.818 9.572 1.00 0.00 N ATOM 1818 CA SER A 115 -17.325 5.935 9.613 1.00 0.00 C ATOM 1819 C SER A 115 -18.317 5.984 8.468 1.00 0.00 C ATOM 1820 O SER A 115 -19.526 6.056 8.695 1.00 0.00 O ATOM 1821 CB SER A 115 -16.563 7.259 9.699 1.00 0.00 C ATOM 1822 OG SER A 115 -16.360 7.820 8.413 1.00 0.00 O ATOM 0 H SER A 115 -15.494 5.021 9.117 1.00 0.00 H new ATOM 0 HA SER A 115 -17.925 5.771 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 115 -17.118 7.961 10.321 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.600 7.096 10.183 1.00 0.00 H new ATOM 0 HG SER A 115 -15.632 7.346 7.960 1.00 0.00 H new ATOM 1828 N GLY A 116 -17.824 5.980 7.255 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.724 6.063 6.115 1.00 0.00 C ATOM 1830 C GLY A 116 -18.920 4.737 5.434 1.00 0.00 C ATOM 1831 O GLY A 116 -19.884 4.536 4.695 1.00 0.00 O ATOM 0 H GLY A 116 -16.832 5.922 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.690 6.443 6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.329 6.781 5.397 1.00 0.00 H new ATOM 1835 N LYS A 117 -17.991 3.839 5.678 1.00 0.00 N ATOM 1836 CA LYS A 117 -18.023 2.510 5.086 1.00 0.00 C ATOM 1837 C LYS A 117 -18.024 2.509 3.538 1.00 0.00 C ATOM 1838 O LYS A 117 -18.347 1.480 2.948 1.00 0.00 O ATOM 1839 CB LYS A 117 -19.248 1.750 5.590 1.00 0.00 C ATOM 1840 CG LYS A 117 -19.172 0.250 5.354 1.00 0.00 C ATOM 1841 CD LYS A 117 -20.234 -0.494 6.149 1.00 0.00 C ATOM 1842 CE LYS A 117 -21.373 -0.963 5.257 1.00 0.00 C ATOM 1843 NZ LYS A 117 -22.372 0.115 5.018 1.00 0.00 N ATOM 0 H LYS A 117 -17.192 4.004 6.290 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.100 2.020 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -19.367 1.936 6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.137 2.143 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -19.298 0.041 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.184 -0.114 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -19.783 -1.353 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.627 0.156 6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -20.970 -1.303 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.866 -1.819 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.132 -0.245 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -22.775 0.422 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -21.908 0.922 4.555 1.00 0.00 H new ATOM 1857 N PRO A 118 -17.664 3.617 2.829 1.00 0.00 N ATOM 1858 CA PRO A 118 -17.651 3.612 1.355 1.00 0.00 C ATOM 1859 C PRO A 118 -16.617 2.638 0.801 1.00 0.00 C ATOM 1860 O PRO A 118 -15.549 3.045 0.344 1.00 0.00 O ATOM 1861 CB PRO A 118 -17.265 5.048 0.991 1.00 0.00 C ATOM 1862 CG PRO A 118 -16.522 5.535 2.180 1.00 0.00 C ATOM 1863 CD PRO A 118 -17.238 4.934 3.351 1.00 0.00 C ATOM 0 HA PRO A 118 -18.609 3.297 0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -16.647 5.079 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.145 5.659 0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -15.479 5.221 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -16.526 6.624 2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -16.585 4.834 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.088 5.541 3.661 1.00 0.00 H new ATOM 1871 N VAL A 119 -16.933 1.351 0.857 1.00 0.00 N ATOM 1872 CA VAL A 119 -16.025 0.318 0.374 1.00 0.00 C ATOM 1873 C VAL A 119 -16.299 -0.003 -1.087 1.00 0.00 C ATOM 1874 O VAL A 119 -17.437 0.102 -1.543 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.104 -0.979 1.220 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.596 -0.701 2.626 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.983 -2.030 0.554 1.00 0.00 C ATOM 0 H VAL A 119 -17.813 0.997 1.233 1.00 0.00 H new ATOM 0 HA VAL A 119 -15.016 0.718 0.473 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.090 -1.373 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -16.638 -1.634 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.913 -0.010 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.591 -0.259 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.015 -2.925 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -17.992 -1.637 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -16.572 -2.282 -0.424 1.00 0.00 H new ATOM 1887 N CYS A 120 -15.244 -0.388 -1.813 1.00 0.00 N ATOM 1888 CA CYS A 120 -15.350 -0.730 -3.236 1.00 0.00 C ATOM 1889 C CYS A 120 -16.791 -1.028 -3.641 1.00 0.00 C ATOM 1890 O CYS A 120 -17.448 -1.849 -3.017 1.00 0.00 O ATOM 1891 CB CYS A 120 -14.470 -1.945 -3.539 1.00 0.00 C ATOM 1892 SG CYS A 120 -15.077 -3.498 -2.844 1.00 0.00 S ATOM 0 H CYS A 120 -14.300 -0.471 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 120 -15.012 0.131 -3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -14.383 -2.054 -4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -13.467 -1.757 -3.155 1.00 0.00 H new ATOM 1897 N ARG A 121 -17.277 -0.360 -4.686 1.00 0.00 N ATOM 1898 CA ARG A 121 -18.645 -0.577 -5.158 1.00 0.00 C ATOM 1899 C ARG A 121 -18.915 -2.068 -5.327 1.00 0.00 C ATOM 1900 O ARG A 121 -18.733 -2.623 -6.410 1.00 0.00 O ATOM 1901 CB ARG A 121 -18.869 0.144 -6.486 1.00 0.00 C ATOM 1902 CG ARG A 121 -17.757 -0.093 -7.492 1.00 0.00 C ATOM 1903 CD ARG A 121 -18.155 0.367 -8.886 1.00 0.00 C ATOM 1904 NE ARG A 121 -19.267 -0.413 -9.426 1.00 0.00 N ATOM 1905 CZ ARG A 121 -20.550 -0.084 -9.283 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -20.896 1.003 -8.603 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -21.492 -0.849 -9.818 1.00 0.00 N ATOM 0 H ARG A 121 -16.749 0.331 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.334 -0.174 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.815 -0.186 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.959 1.214 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -16.860 0.439 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.507 -1.154 -7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.434 1.420 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.297 0.284 -9.553 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.047 -1.263 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.177 1.594 -8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.881 1.247 -8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.234 -1.688 -10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.475 -0.599 -9.710 1.00 0.00 H new ATOM 1921 N CYS A 122 -19.328 -2.713 -4.245 1.00 0.00 N ATOM 1922 CA CYS A 122 -19.595 -4.146 -4.276 1.00 0.00 C ATOM 1923 C CYS A 122 -21.079 -4.457 -4.281 1.00 0.00 C ATOM 1924 O CYS A 122 -21.925 -3.563 -4.297 1.00 0.00 O ATOM 1925 CB CYS A 122 -18.932 -4.870 -3.098 1.00 0.00 C ATOM 1926 SG CYS A 122 -18.628 -3.874 -1.616 1.00 0.00 S ATOM 0 H CYS A 122 -19.485 -2.271 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 122 -19.164 -4.509 -5.209 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.560 -5.716 -2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -17.980 -5.277 -3.438 1.00 0.00 H new ATOM 1931 N ALA A 123 -21.376 -5.750 -4.260 1.00 0.00 N ATOM 1932 CA ALA A 123 -22.738 -6.231 -4.255 1.00 0.00 C ATOM 1933 C ALA A 123 -22.748 -7.696 -3.859 1.00 0.00 C ATOM 1934 O ALA A 123 -23.703 -8.179 -3.250 1.00 0.00 O ATOM 1935 CB ALA A 123 -23.385 -6.035 -5.619 1.00 0.00 C ATOM 0 H ALA A 123 -20.674 -6.490 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 123 -23.318 -5.660 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -24.410 -6.404 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -23.388 -4.975 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -22.821 -6.586 -6.372 1.00 0.00 H new ATOM 1941 N GLU A 124 -21.675 -8.407 -4.214 1.00 0.00 N ATOM 1942 CA GLU A 124 -21.577 -9.811 -3.898 1.00 0.00 C ATOM 1943 C GLU A 124 -20.163 -10.365 -4.111 1.00 0.00 C ATOM 1944 O GLU A 124 -19.258 -10.105 -3.317 1.00 0.00 O ATOM 1945 CB GLU A 124 -22.575 -10.576 -4.747 1.00 0.00 C ATOM 1946 CG GLU A 124 -22.822 -9.970 -6.122 1.00 0.00 C ATOM 1947 CD GLU A 124 -22.740 -10.995 -7.235 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -22.950 -12.194 -6.955 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -22.466 -10.599 -8.388 1.00 0.00 O ATOM 0 H GLU A 124 -20.873 -8.026 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 124 -21.804 -9.935 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -22.219 -11.599 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -23.523 -10.631 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -23.806 -9.501 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -22.091 -9.182 -6.304 1.00 0.00 H new ATOM 1956 N VAL A 125 -19.992 -11.152 -5.174 1.00 0.00 N ATOM 1957 CA VAL A 125 -18.704 -11.770 -5.482 1.00 0.00 C ATOM 1958 C VAL A 125 -17.746 -10.828 -6.219 1.00 0.00 C ATOM 1959 O VAL A 125 -16.529 -10.973 -6.097 1.00 0.00 O ATOM 1960 CB VAL A 125 -18.880 -13.060 -6.310 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -19.636 -14.110 -5.510 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -19.591 -12.769 -7.623 1.00 0.00 C ATOM 0 H VAL A 125 -20.733 -11.376 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 125 -18.261 -12.011 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 125 -17.890 -13.453 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -19.750 -15.012 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -19.080 -14.346 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -20.620 -13.725 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -19.703 -13.694 -8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -20.575 -12.347 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -19.005 -12.057 -8.204 1.00 0.00 H new ATOM 1972 N PRO A 126 -18.256 -9.847 -6.992 1.00 0.00 N ATOM 1973 CA PRO A 126 -17.399 -8.913 -7.719 1.00 0.00 C ATOM 1974 C PRO A 126 -16.915 -7.759 -6.841 1.00 0.00 C ATOM 1975 O PRO A 126 -16.409 -6.755 -7.342 1.00 0.00 O ATOM 1976 CB PRO A 126 -18.312 -8.403 -8.830 1.00 0.00 C ATOM 1977 CG PRO A 126 -19.689 -8.469 -8.259 1.00 0.00 C ATOM 1978 CD PRO A 126 -19.687 -9.563 -7.218 1.00 0.00 C ATOM 0 HA PRO A 126 -16.486 -9.386 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -18.052 -7.384 -9.118 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -18.226 -9.019 -9.725 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -19.967 -7.514 -7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -20.420 -8.681 -9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -20.178 -9.240 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.218 -10.448 -7.569 1.00 0.00 H new ATOM 1986 N CYS A 127 -17.079 -7.910 -5.528 1.00 0.00 N ATOM 1987 CA CYS A 127 -16.665 -6.888 -4.574 1.00 0.00 C ATOM 1988 C CYS A 127 -15.156 -6.655 -4.622 1.00 0.00 C ATOM 1989 O CYS A 127 -14.428 -7.124 -3.747 1.00 0.00 O ATOM 1990 CB CYS A 127 -17.090 -7.310 -3.155 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.334 -6.378 -1.805 1.00 0.00 S ATOM 0 H CYS A 127 -17.498 -8.736 -5.101 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.153 -5.951 -4.842 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -18.173 -7.215 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -16.852 -8.365 -3.022 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.680 -5.914 -5.629 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.249 -5.627 -5.724 1.00 0.00 C ATOM 1998 C LYS A 128 -12.825 -5.043 -7.066 1.00 0.00 C ATOM 1999 O LYS A 128 -13.040 -5.641 -8.119 1.00 0.00 O ATOM 2000 CB LYS A 128 -12.415 -6.901 -5.449 1.00 0.00 C ATOM 2001 CG LYS A 128 -11.326 -7.210 -6.479 1.00 0.00 C ATOM 2002 CD LYS A 128 -11.878 -7.998 -7.659 1.00 0.00 C ATOM 2003 CE LYS A 128 -11.207 -7.596 -8.963 1.00 0.00 C ATOM 2004 NZ LYS A 128 -11.016 -8.760 -9.871 1.00 0.00 N ATOM 0 H LYS A 128 -15.251 -5.512 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.057 -4.869 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -11.947 -6.804 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.092 -7.753 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -10.887 -6.278 -6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -10.526 -7.778 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -11.730 -9.064 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -12.953 -7.834 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -11.811 -6.840 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -10.240 -7.140 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -10.556 -8.444 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -10.418 -9.471 -9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -11.940 -9.180 -10.097 1.00 0.00 H new ATOM 2018 N GLY A 129 -12.110 -3.925 -6.997 1.00 0.00 N ATOM 2019 CA GLY A 129 -11.532 -3.350 -8.186 1.00 0.00 C ATOM 2020 C GLY A 129 -10.275 -4.133 -8.459 1.00 0.00 C ATOM 2021 O GLY A 129 -10.042 -4.650 -9.551 1.00 0.00 O ATOM 0 H GLY A 129 -11.923 -3.411 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.223 -3.416 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.309 -2.293 -8.039 1.00 0.00 H new ATOM 2025 N ASP A 130 -9.511 -4.259 -7.382 1.00 0.00 N ATOM 2026 CA ASP A 130 -8.283 -5.027 -7.340 1.00 0.00 C ATOM 2027 C ASP A 130 -8.170 -5.736 -5.980 1.00 0.00 C ATOM 2028 O ASP A 130 -8.109 -5.098 -4.928 1.00 0.00 O ATOM 2029 CB ASP A 130 -7.068 -4.131 -7.573 1.00 0.00 C ATOM 2030 CG ASP A 130 -6.916 -3.731 -9.028 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -7.487 -2.692 -9.422 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -6.225 -4.458 -9.774 1.00 0.00 O ATOM 0 H ASP A 130 -9.738 -3.816 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 130 -8.307 -5.770 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.158 -3.234 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.168 -4.652 -7.246 1.00 0.00 H new ATOM 2037 N CYS A 131 -8.137 -7.059 -6.022 1.00 0.00 N ATOM 2038 CA CYS A 131 -8.025 -7.875 -4.817 1.00 0.00 C ATOM 2039 C CYS A 131 -7.977 -9.358 -5.181 1.00 0.00 C ATOM 2040 O CYS A 131 -7.316 -10.150 -4.509 1.00 0.00 O ATOM 2041 CB CYS A 131 -9.189 -7.577 -3.857 1.00 0.00 C ATOM 2042 SG CYS A 131 -9.783 -8.995 -2.899 1.00 0.00 S ATOM 0 H CYS A 131 -8.187 -7.598 -6.887 1.00 0.00 H new ATOM 0 HA CYS A 131 -7.095 -7.622 -4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -8.876 -6.796 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -10.021 -7.175 -4.435 1.00 0.00 H new ATOM 0 HG CYS A 131 -9.454 -8.844 -1.650 1.00 0.00 H new ATOM 2048 N ALA A 132 -8.678 -9.726 -6.249 1.00 0.00 N ATOM 2049 CA ALA A 132 -8.711 -11.112 -6.701 1.00 0.00 C ATOM 2050 C ALA A 132 -7.991 -11.269 -8.037 1.00 0.00 C ATOM 2051 O ALA A 132 -7.342 -12.317 -8.238 1.00 0.00 O ATOM 2052 CB ALA A 132 -10.148 -11.596 -6.815 1.00 0.00 C ATOM 2053 OXT ALA A 132 -8.084 -10.345 -8.871 1.00 0.00 O ATOM 0 H ALA A 132 -9.230 -9.084 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 132 -8.192 -11.722 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -10.157 -12.632 -7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -10.633 -11.528 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -10.685 -10.975 -7.532 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -16.084 -4.256 -1.172 1.00 0.00 ZN