USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HD1:sc= -4.46 K(o=-6.7,f=-9.5!) USER MOD Set 1.2: A 120 CYS SG : rot -112:sc= -3.75! USER MOD Set 1.3: A 122 CYS SG : rot -85:sc= 0.515 USER MOD Set 1.4: A 127 CYS SG : rot -79:sc= 1.01 USER MOD Set 2.1: A 23 ASN : amide:sc= -3.29 K(o=-3.3,f=-5.6!) USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0.00901 USER MOD Set 3.1: A 61 ASN : amide:sc= -1.18 K(o=-1,f=-3.3) USER MOD Set 3.2: A 63 LYS NZ :NH3+ -129:sc= 0.14 (180deg=-0.577) USER MOD Set 4.1: A 56 SER OG : rot -150:sc= -3.33 USER MOD Set 4.2: A 60 GLN : amide:sc= -2.24 K(o=-5.6,f=-6.1!) USER MOD Set 5.1: A 43 SER OG : rot 104:sc= -0.213 USER MOD Set 5.2: A 72 SER OG : rot 180:sc= -1.47! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 26:sc= -0.0414 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 65:sc= -0.466 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.98! USER MOD Single : A 14 GLN : amide:sc= -8.89! C(o=-8.9!,f=-10!) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -3.17! C(o=-3.8!,f=-3.2!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.0495 F(o=-0.65,f=-0.049) USER MOD Single : A 46 TYR OH : rot 180:sc= -5.22! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.583 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= -14! C(o=-14!,f=-14!) USER MOD Single : A 75 SER OG : rot -53:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.62 F(o=-2.9!,f=-1.6) USER MOD Single : A 81 THR OG1 : rot -174:sc= -0.843 USER MOD Single : A 82 CYS SG : rot 47:sc= 0.726 USER MOD Single : A 88 ASN : amide:sc= -3.09! C(o=-3.1!,f=-8.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.441 USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.962 (180deg=-1.56) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -75:sc= 0.517 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.902 K(o=-0.9,f=-2.3!) USER MOD Single : A 103 MET CE :methyl -162:sc= -0.0812 (180deg=-0.489) USER MOD Single : A 110 ASN : amide:sc= -0.74 K(o=-0.74,f=-2.4) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -162:sc= -0.0369 (180deg=-0.337) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.010 21.783 10.383 1.00 0.00 N ATOM 2 CA MET A 1 8.034 22.739 9.245 1.00 0.00 C ATOM 3 C MET A 1 7.715 22.037 7.929 1.00 0.00 C ATOM 4 O MET A 1 8.591 21.438 7.306 1.00 0.00 O ATOM 5 CB MET A 1 9.421 23.381 9.179 1.00 0.00 C ATOM 6 CG MET A 1 9.433 24.728 8.476 1.00 0.00 C ATOM 7 SD MET A 1 11.071 25.480 8.445 1.00 0.00 S ATOM 8 CE MET A 1 11.220 25.892 6.709 1.00 0.00 C ATOM 0 H1 MET A 1 8.230 22.288 11.265 1.00 0.00 H new ATOM 0 H2 MET A 1 7.065 21.354 10.456 1.00 0.00 H new ATOM 0 H3 MET A 1 8.717 21.037 10.225 1.00 0.00 H new ATOM 0 HA MET A 1 7.273 23.503 9.402 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.804 23.505 10.192 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.102 22.704 8.662 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.075 24.603 7.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.738 25.401 8.977 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.185 26.367 6.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.146 24.983 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.420 26.577 6.428 1.00 0.00 H new ATOM 18 N ALA A 2 6.455 22.115 7.513 1.00 0.00 N ATOM 19 CA ALA A 2 6.020 21.486 6.270 1.00 0.00 C ATOM 20 C ALA A 2 6.220 19.975 6.317 1.00 0.00 C ATOM 21 O ALA A 2 6.892 19.455 7.207 1.00 0.00 O ATOM 22 CB ALA A 2 6.766 22.083 5.087 1.00 0.00 C ATOM 0 H ALA A 2 5.718 22.607 8.018 1.00 0.00 H new ATOM 0 HA ALA A 2 4.954 21.680 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.431 21.604 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.566 23.153 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.836 21.920 5.212 1.00 0.00 H new ATOM 28 N MET A 3 5.631 19.276 5.353 1.00 0.00 N ATOM 29 CA MET A 3 5.743 17.824 5.282 1.00 0.00 C ATOM 30 C MET A 3 6.753 17.408 4.216 1.00 0.00 C ATOM 31 O MET A 3 6.532 17.614 3.023 1.00 0.00 O ATOM 32 CB MET A 3 4.377 17.202 4.981 1.00 0.00 C ATOM 33 CG MET A 3 3.244 17.786 5.812 1.00 0.00 C ATOM 34 SD MET A 3 2.614 16.630 7.044 1.00 0.00 S ATOM 35 CE MET A 3 1.120 17.470 7.564 1.00 0.00 C ATOM 0 H MET A 3 5.071 19.692 4.609 1.00 0.00 H new ATOM 0 HA MET A 3 6.094 17.462 6.248 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.149 17.340 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.430 16.128 5.158 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.595 18.688 6.313 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.431 18.084 5.151 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.616 16.877 8.327 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.376 18.447 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.458 17.598 6.708 1.00 0.00 H new ATOM 45 N ALA A 4 7.864 16.825 4.656 1.00 0.00 N ATOM 46 CA ALA A 4 8.912 16.383 3.742 1.00 0.00 C ATOM 47 C ALA A 4 9.187 14.887 3.898 1.00 0.00 C ATOM 48 O ALA A 4 8.351 14.146 4.417 1.00 0.00 O ATOM 49 CB ALA A 4 10.182 17.190 3.978 1.00 0.00 C ATOM 0 H ALA A 4 8.062 16.648 5.641 1.00 0.00 H new ATOM 0 HA ALA A 4 8.570 16.551 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.959 16.854 3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.979 18.247 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.518 17.047 5.005 1.00 0.00 H new ATOM 55 N ARG A 5 10.364 14.450 3.449 1.00 0.00 N ATOM 56 CA ARG A 5 10.756 13.043 3.538 1.00 0.00 C ATOM 57 C ARG A 5 10.014 12.192 2.511 1.00 0.00 C ATOM 58 O ARG A 5 8.784 12.150 2.496 1.00 0.00 O ATOM 59 CB ARG A 5 10.497 12.494 4.945 1.00 0.00 C ATOM 60 CG ARG A 5 10.972 13.412 6.060 1.00 0.00 C ATOM 61 CD ARG A 5 10.400 12.991 7.405 1.00 0.00 C ATOM 62 NE ARG A 5 8.940 12.942 7.387 1.00 0.00 N ATOM 63 CZ ARG A 5 8.201 12.428 8.368 1.00 0.00 C ATOM 64 NH1 ARG A 5 8.781 11.914 9.445 1.00 0.00 N ATOM 65 NH2 ARG A 5 6.878 12.427 8.270 1.00 0.00 N ATOM 0 H ARG A 5 11.065 15.053 3.018 1.00 0.00 H new ATOM 0 HA ARG A 5 11.824 12.990 3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.428 12.316 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.994 11.529 5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.061 13.399 6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.675 14.437 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.792 12.011 7.675 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.730 13.689 8.174 1.00 0.00 H new ATOM 0 HE ARG A 5 8.458 13.325 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.798 11.911 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.210 11.522 10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.428 12.820 7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.311 12.033 9.021 1.00 0.00 H new ATOM 79 N SER A 6 10.773 11.508 1.657 1.00 0.00 N ATOM 80 CA SER A 6 10.190 10.649 0.633 1.00 0.00 C ATOM 81 C SER A 6 9.424 9.499 1.276 1.00 0.00 C ATOM 82 O SER A 6 8.198 9.438 1.193 1.00 0.00 O ATOM 83 CB SER A 6 11.283 10.099 -0.286 1.00 0.00 C ATOM 84 OG SER A 6 11.973 11.148 -0.943 1.00 0.00 O ATOM 0 H SER A 6 11.793 11.533 1.655 1.00 0.00 H new ATOM 0 HA SER A 6 9.496 11.244 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.987 9.505 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.839 9.432 -1.025 1.00 0.00 H new ATOM 0 HG SER A 6 12.667 10.770 -1.523 1.00 0.00 H new ATOM 90 N ILE A 7 10.158 8.595 1.920 1.00 0.00 N ATOM 91 CA ILE A 7 9.550 7.449 2.589 1.00 0.00 C ATOM 92 C ILE A 7 8.669 7.913 3.749 1.00 0.00 C ATOM 93 O ILE A 7 8.994 7.716 4.918 1.00 0.00 O ATOM 94 CB ILE A 7 10.622 6.447 3.093 1.00 0.00 C ATOM 95 CG1 ILE A 7 11.484 7.040 4.222 1.00 0.00 C ATOM 96 CG2 ILE A 7 11.507 6.003 1.937 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.357 8.200 3.795 1.00 0.00 C ATOM 0 H ILE A 7 11.175 8.634 1.992 1.00 0.00 H new ATOM 0 HA ILE A 7 8.929 6.931 1.858 1.00 0.00 H new ATOM 0 HB ILE A 7 10.096 5.584 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.829 7.371 5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.119 6.253 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.256 5.300 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.895 5.519 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.004 6.871 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.931 8.558 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.040 7.872 3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.730 9.007 3.416 1.00 0.00 H new ATOM 109 N SER A 8 7.555 8.560 3.416 1.00 0.00 N ATOM 110 CA SER A 8 6.650 9.084 4.437 1.00 0.00 C ATOM 111 C SER A 8 5.200 9.075 3.974 1.00 0.00 C ATOM 112 O SER A 8 4.908 8.827 2.805 1.00 0.00 O ATOM 113 CB SER A 8 7.057 10.507 4.821 1.00 0.00 C ATOM 114 OG SER A 8 8.044 10.496 5.839 1.00 0.00 O ATOM 0 H SER A 8 7.258 8.733 2.456 1.00 0.00 H new ATOM 0 HA SER A 8 6.728 8.430 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.440 11.029 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.182 11.059 5.164 1.00 0.00 H new ATOM 0 HG SER A 8 8.551 9.659 5.794 1.00 0.00 H new ATOM 120 N TYR A 9 4.293 9.366 4.900 1.00 0.00 N ATOM 121 CA TYR A 9 2.880 9.412 4.594 1.00 0.00 C ATOM 122 C TYR A 9 2.478 10.832 4.229 1.00 0.00 C ATOM 123 O TYR A 9 3.173 11.781 4.588 1.00 0.00 O ATOM 124 CB TYR A 9 2.074 8.870 5.763 1.00 0.00 C ATOM 125 CG TYR A 9 2.149 9.719 6.985 1.00 0.00 C ATOM 126 CD1 TYR A 9 1.523 10.933 6.990 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.836 9.313 8.121 1.00 0.00 C ATOM 128 CE1 TYR A 9 1.566 11.746 8.090 1.00 0.00 C ATOM 129 CE2 TYR A 9 2.887 10.120 9.240 1.00 0.00 C ATOM 130 CZ TYR A 9 2.248 11.341 9.218 1.00 0.00 C ATOM 131 OH TYR A 9 2.292 12.159 10.325 1.00 0.00 O ATOM 0 H TYR A 9 4.520 9.574 5.873 1.00 0.00 H new ATOM 0 HA TYR A 9 2.668 8.778 3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.031 8.774 5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.429 7.868 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.985 11.257 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.336 8.356 8.129 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.067 12.703 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.421 9.798 10.122 1.00 0.00 H new ATOM 0 HH TYR A 9 2.812 11.724 11.033 1.00 0.00 H new ATOM 141 N ILE A 10 1.393 10.989 3.466 1.00 0.00 N ATOM 142 CA ILE A 10 0.997 12.330 3.031 1.00 0.00 C ATOM 143 C ILE A 10 -0.457 12.690 3.429 1.00 0.00 C ATOM 144 O ILE A 10 -1.229 11.830 3.851 1.00 0.00 O ATOM 145 CB ILE A 10 1.287 12.535 1.528 1.00 0.00 C ATOM 146 CG1 ILE A 10 2.073 11.350 0.948 1.00 0.00 C ATOM 147 CG2 ILE A 10 2.069 13.827 1.322 1.00 0.00 C ATOM 148 CD1 ILE A 10 3.514 11.293 1.408 1.00 0.00 C ATOM 0 H ILE A 10 0.790 10.231 3.145 1.00 0.00 H new ATOM 0 HA ILE A 10 1.618 13.043 3.574 1.00 0.00 H new ATOM 0 HB ILE A 10 0.334 12.600 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.574 10.422 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.050 11.408 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.270 13.965 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.485 14.669 1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.012 13.772 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.006 10.431 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.029 12.204 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.546 11.203 2.494 1.00 0.00 H new ATOM 160 N THR A 11 -0.765 14.003 3.393 1.00 0.00 N ATOM 161 CA THR A 11 -2.066 14.553 3.857 1.00 0.00 C ATOM 162 C THR A 11 -3.117 14.825 2.777 1.00 0.00 C ATOM 163 O THR A 11 -2.840 14.804 1.593 1.00 0.00 O ATOM 164 CB THR A 11 -1.819 15.842 4.642 1.00 0.00 C ATOM 165 OG1 THR A 11 -3.039 16.388 5.108 1.00 0.00 O ATOM 166 CG2 THR A 11 -1.117 16.912 3.835 1.00 0.00 C ATOM 0 H THR A 11 -0.124 14.715 3.043 1.00 0.00 H new ATOM 0 HA THR A 11 -2.493 13.760 4.471 1.00 0.00 H new ATOM 0 HB THR A 11 -1.173 15.553 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.446 15.775 5.755 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.974 17.798 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.147 16.540 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.723 17.169 2.967 1.00 0.00 H new ATOM 174 N SER A 12 -4.341 15.130 3.228 1.00 0.00 N ATOM 175 CA SER A 12 -5.455 15.449 2.326 1.00 0.00 C ATOM 176 C SER A 12 -4.991 16.307 1.148 1.00 0.00 C ATOM 177 O SER A 12 -5.284 16.003 -0.005 1.00 0.00 O ATOM 178 CB SER A 12 -6.563 16.176 3.091 1.00 0.00 C ATOM 179 OG SER A 12 -7.473 16.797 2.202 1.00 0.00 O ATOM 0 H SER A 12 -4.585 15.162 4.218 1.00 0.00 H new ATOM 0 HA SER A 12 -5.843 14.510 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.096 15.468 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.123 16.926 3.749 1.00 0.00 H new ATOM 0 HG SER A 12 -8.172 17.253 2.715 1.00 0.00 H new ATOM 185 N THR A 13 -4.243 17.366 1.446 1.00 0.00 N ATOM 186 CA THR A 13 -3.715 18.247 0.408 1.00 0.00 C ATOM 187 C THR A 13 -2.807 17.456 -0.508 1.00 0.00 C ATOM 188 O THR A 13 -2.756 17.694 -1.713 1.00 0.00 O ATOM 189 CB THR A 13 -2.960 19.429 1.005 1.00 0.00 C ATOM 190 OG1 THR A 13 -2.067 18.998 2.017 1.00 0.00 O ATOM 191 CG2 THR A 13 -3.868 20.481 1.606 1.00 0.00 C ATOM 0 H THR A 13 -3.989 17.635 2.397 1.00 0.00 H new ATOM 0 HA THR A 13 -4.554 18.648 -0.160 1.00 0.00 H new ATOM 0 HB THR A 13 -2.421 19.876 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.592 19.772 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.265 21.293 2.012 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.531 20.873 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.462 20.036 2.404 1.00 0.00 H new ATOM 199 N GLN A 14 -2.103 16.498 0.075 1.00 0.00 N ATOM 200 CA GLN A 14 -1.209 15.645 -0.683 1.00 0.00 C ATOM 201 C GLN A 14 -1.991 14.978 -1.810 1.00 0.00 C ATOM 202 O GLN A 14 -1.415 14.522 -2.799 1.00 0.00 O ATOM 203 CB GLN A 14 -0.581 14.605 0.266 1.00 0.00 C ATOM 204 CG GLN A 14 -1.382 13.310 0.449 1.00 0.00 C ATOM 205 CD GLN A 14 -1.719 12.597 -0.847 1.00 0.00 C ATOM 206 OE1 GLN A 14 -2.890 12.432 -1.193 1.00 0.00 O ATOM 207 NE2 GLN A 14 -0.692 12.171 -1.572 1.00 0.00 N ATOM 0 H GLN A 14 -2.136 16.294 1.074 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.404 16.229 -1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.410 14.349 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.443 15.067 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.814 12.632 1.086 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.308 13.541 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.262 12.329 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.857 11.686 -2.454 1.00 0.00 H new ATOM 216 N LEU A 15 -3.317 14.956 -1.665 1.00 0.00 N ATOM 217 CA LEU A 15 -4.186 14.392 -2.677 1.00 0.00 C ATOM 218 C LEU A 15 -4.293 15.340 -3.867 1.00 0.00 C ATOM 219 O LEU A 15 -4.545 14.908 -4.990 1.00 0.00 O ATOM 220 CB LEU A 15 -5.581 14.123 -2.102 1.00 0.00 C ATOM 221 CG LEU A 15 -6.612 13.610 -3.113 1.00 0.00 C ATOM 222 CD1 LEU A 15 -7.039 12.190 -2.775 1.00 0.00 C ATOM 223 CD2 LEU A 15 -7.821 14.533 -3.159 1.00 0.00 C ATOM 0 H LEU A 15 -3.806 15.326 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.756 13.447 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.491 13.394 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.958 15.044 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.146 13.601 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.771 11.846 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.169 11.534 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.483 12.171 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.542 14.152 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.284 14.576 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.504 15.533 -3.454 1.00 0.00 H new ATOM 235 N LEU A 16 -4.121 16.645 -3.624 1.00 0.00 N ATOM 236 CA LEU A 16 -4.227 17.618 -4.709 1.00 0.00 C ATOM 237 C LEU A 16 -3.195 17.345 -5.813 1.00 0.00 C ATOM 238 O LEU A 16 -3.554 17.239 -6.986 1.00 0.00 O ATOM 239 CB LEU A 16 -4.076 19.045 -4.159 1.00 0.00 C ATOM 240 CG LEU A 16 -3.572 20.094 -5.157 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.296 21.416 -4.957 1.00 0.00 C ATOM 242 CD2 LEU A 16 -2.068 20.284 -5.016 1.00 0.00 C ATOM 0 H LEU A 16 -3.913 17.041 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.216 17.518 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.043 19.371 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.390 19.017 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.783 19.737 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.924 22.147 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.366 21.271 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.118 21.779 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.727 21.032 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.837 20.618 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.562 19.338 -5.211 1.00 0.00 H new ATOM 254 N PRO A 17 -1.898 17.242 -5.463 1.00 0.00 N ATOM 255 CA PRO A 17 -0.829 17.001 -6.430 1.00 0.00 C ATOM 256 C PRO A 17 -0.436 15.527 -6.560 1.00 0.00 C ATOM 257 O PRO A 17 0.637 15.214 -7.076 1.00 0.00 O ATOM 258 CB PRO A 17 0.316 17.790 -5.811 1.00 0.00 C ATOM 259 CG PRO A 17 0.131 17.610 -4.338 1.00 0.00 C ATOM 260 CD PRO A 17 -1.350 17.390 -4.105 1.00 0.00 C ATOM 0 HA PRO A 17 -1.115 17.289 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.284 17.412 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.273 18.842 -6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.709 16.760 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.481 18.487 -3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.533 16.502 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.802 18.231 -3.580 1.00 0.00 H new ATOM 268 N LEU A 18 -1.291 14.623 -6.081 1.00 0.00 N ATOM 269 CA LEU A 18 -0.993 13.189 -6.147 1.00 0.00 C ATOM 270 C LEU A 18 -0.506 12.772 -7.537 1.00 0.00 C ATOM 271 O LEU A 18 0.352 11.901 -7.660 1.00 0.00 O ATOM 272 CB LEU A 18 -2.215 12.349 -5.746 1.00 0.00 C ATOM 273 CG LEU A 18 -3.535 12.710 -6.437 1.00 0.00 C ATOM 274 CD1 LEU A 18 -3.644 12.025 -7.787 1.00 0.00 C ATOM 275 CD2 LEU A 18 -4.713 12.316 -5.561 1.00 0.00 C ATOM 0 H LEU A 18 -2.185 14.852 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.189 13.001 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.995 11.302 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.355 12.439 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.551 13.789 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.589 12.297 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.818 12.341 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.604 10.944 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.644 12.578 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.688 11.241 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.653 12.846 -4.610 1.00 0.00 H new ATOM 287 N HIS A 19 -1.071 13.396 -8.575 1.00 0.00 N ATOM 288 CA HIS A 19 -0.728 13.106 -9.975 1.00 0.00 C ATOM 289 C HIS A 19 -1.658 12.038 -10.536 1.00 0.00 C ATOM 290 O HIS A 19 -2.123 12.137 -11.670 1.00 0.00 O ATOM 291 CB HIS A 19 0.735 12.669 -10.125 1.00 0.00 C ATOM 292 CG HIS A 19 1.700 13.553 -9.397 1.00 0.00 C ATOM 293 ND1 HIS A 19 2.591 13.276 -8.416 1.00 0.00 N flip ATOM 294 CD2 HIS A 19 1.823 14.902 -9.654 1.00 0.00 C flip ATOM 295 CE1 HIS A 19 3.229 14.451 -8.103 1.00 0.00 C flip ATOM 296 NE2 HIS A 19 2.748 15.417 -8.864 1.00 0.00 N flip ATOM 0 H HIS A 19 -1.782 14.120 -8.470 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.856 14.027 -10.543 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.841 11.648 -9.757 1.00 0.00 H new ATOM 0 HB3 HIS A 19 0.995 12.655 -11.183 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.252 15.452 -10.387 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.000 14.566 -7.355 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.041 16.394 -8.845 1.00 0.00 H new ATOM 305 N ARG A 20 -1.940 11.034 -9.712 1.00 0.00 N ATOM 306 CA ARG A 20 -2.843 9.936 -10.071 1.00 0.00 C ATOM 307 C ARG A 20 -2.166 8.864 -10.930 1.00 0.00 C ATOM 308 O ARG A 20 -2.661 7.740 -11.021 1.00 0.00 O ATOM 309 CB ARG A 20 -4.099 10.480 -10.777 1.00 0.00 C ATOM 310 CG ARG A 20 -4.059 10.405 -12.299 1.00 0.00 C ATOM 311 CD ARG A 20 -4.712 11.621 -12.932 1.00 0.00 C ATOM 312 NE ARG A 20 -4.534 11.639 -14.382 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.342 12.746 -15.098 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.321 13.937 -14.511 1.00 0.00 N ATOM 315 NH2 ARG A 20 -4.174 12.661 -16.410 1.00 0.00 N ATOM 0 H ARG A 20 -1.550 10.955 -8.773 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.135 9.452 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.967 9.925 -10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.243 11.519 -10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.024 10.330 -12.634 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.568 9.501 -12.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.776 11.626 -12.696 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.286 12.528 -12.502 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.558 10.748 -14.877 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.453 14.011 -13.502 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.173 14.778 -15.069 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.192 11.750 -16.868 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.027 13.507 -16.961 1.00 0.00 H new ATOM 329 N ARG A 21 -1.047 9.200 -11.564 1.00 0.00 N ATOM 330 CA ARG A 21 -0.351 8.235 -12.410 1.00 0.00 C ATOM 331 C ARG A 21 1.173 8.282 -12.238 1.00 0.00 C ATOM 332 O ARG A 21 1.909 8.120 -13.210 1.00 0.00 O ATOM 333 CB ARG A 21 -0.721 8.480 -13.878 1.00 0.00 C ATOM 334 CG ARG A 21 -0.107 7.489 -14.863 1.00 0.00 C ATOM 335 CD ARG A 21 0.012 6.090 -14.276 1.00 0.00 C ATOM 336 NE ARG A 21 0.447 5.118 -15.275 1.00 0.00 N ATOM 337 CZ ARG A 21 1.673 5.084 -15.792 1.00 0.00 C ATOM 338 NH1 ARG A 21 2.598 5.947 -15.384 1.00 0.00 N ATOM 339 NH2 ARG A 21 1.979 4.184 -16.715 1.00 0.00 N ATOM 0 H ARG A 21 -0.607 10.119 -11.510 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.672 7.241 -12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.806 8.444 -13.976 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.409 9.487 -14.154 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.717 7.451 -15.765 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.881 7.841 -15.161 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.721 6.102 -13.448 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.951 5.784 -13.867 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.228 4.424 -15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.370 6.640 -14.671 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.536 5.916 -15.784 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.275 3.517 -17.030 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.919 4.159 -17.111 1.00 0.00 H new ATOM 353 N PRO A 22 1.687 8.499 -11.010 1.00 0.00 N ATOM 354 CA PRO A 22 3.120 8.553 -10.770 1.00 0.00 C ATOM 355 C PRO A 22 3.703 7.210 -10.337 1.00 0.00 C ATOM 356 O PRO A 22 4.237 7.090 -9.233 1.00 0.00 O ATOM 357 CB PRO A 22 3.214 9.568 -9.638 1.00 0.00 C ATOM 358 CG PRO A 22 1.954 9.387 -8.850 1.00 0.00 C ATOM 359 CD PRO A 22 0.942 8.716 -9.758 1.00 0.00 C ATOM 0 HA PRO A 22 3.684 8.813 -11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.095 9.390 -9.021 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.295 10.584 -10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.139 8.778 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.578 10.349 -8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.586 7.776 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.067 9.346 -9.917 1.00 0.00 H new ATOM 367 N ASN A 23 3.610 6.203 -11.211 1.00 0.00 N ATOM 368 CA ASN A 23 4.142 4.867 -10.914 1.00 0.00 C ATOM 369 C ASN A 23 3.873 4.478 -9.464 1.00 0.00 C ATOM 370 O ASN A 23 4.806 4.312 -8.689 1.00 0.00 O ATOM 371 CB ASN A 23 5.652 4.810 -11.192 1.00 0.00 C ATOM 372 CG ASN A 23 6.304 6.179 -11.237 1.00 0.00 C ATOM 373 OD1 ASN A 23 6.511 6.748 -12.309 1.00 0.00 O ATOM 374 ND2 ASN A 23 6.632 6.716 -10.069 1.00 0.00 N ATOM 0 H ASN A 23 3.172 6.286 -12.129 1.00 0.00 H new ATOM 0 HA ASN A 23 3.632 4.158 -11.566 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.134 4.210 -10.420 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.821 4.303 -12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.074 7.635 -10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.443 6.210 -9.204 1.00 0.00 H new ATOM 381 N ILE A 24 2.599 4.365 -9.089 1.00 0.00 N ATOM 382 CA ILE A 24 2.252 4.031 -7.705 1.00 0.00 C ATOM 383 C ILE A 24 1.296 2.860 -7.563 1.00 0.00 C ATOM 384 O ILE A 24 0.422 2.629 -8.397 1.00 0.00 O ATOM 385 CB ILE A 24 1.637 5.236 -6.959 1.00 0.00 C ATOM 386 CG1 ILE A 24 0.141 5.385 -7.268 1.00 0.00 C ATOM 387 CG2 ILE A 24 2.369 6.502 -7.324 1.00 0.00 C ATOM 388 CD1 ILE A 24 -0.169 5.499 -8.745 1.00 0.00 C ATOM 0 H ILE A 24 1.801 4.497 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 24 3.206 3.746 -7.261 1.00 0.00 H new ATOM 0 HB ILE A 24 1.742 5.055 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.392 4.526 -6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.240 6.269 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.927 7.344 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.419 6.408 -7.046 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.292 6.670 -8.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.245 5.601 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.335 6.374 -9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.180 4.604 -9.260 1.00 0.00 H new ATOM 400 N ALA A 25 1.453 2.167 -6.442 1.00 0.00 N ATOM 401 CA ALA A 25 0.597 1.056 -6.090 1.00 0.00 C ATOM 402 C ALA A 25 0.597 0.897 -4.574 1.00 0.00 C ATOM 403 O ALA A 25 1.573 1.243 -3.913 1.00 0.00 O ATOM 404 CB ALA A 25 1.024 -0.229 -6.780 1.00 0.00 C ATOM 0 H ALA A 25 2.180 2.365 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.415 1.267 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.355 -1.038 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.980 -0.094 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.044 -0.478 -6.487 1.00 0.00 H new ATOM 410 N ILE A 26 -0.505 0.417 -4.015 1.00 0.00 N ATOM 411 CA ILE A 26 -0.610 0.275 -2.567 1.00 0.00 C ATOM 412 C ILE A 26 -0.471 -1.175 -2.095 1.00 0.00 C ATOM 413 O ILE A 26 -1.169 -2.071 -2.565 1.00 0.00 O ATOM 414 CB ILE A 26 -1.949 0.855 -2.070 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.004 2.361 -2.338 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.168 0.563 -0.591 1.00 0.00 C ATOM 417 CD1 ILE A 26 -2.697 2.722 -3.634 1.00 0.00 C ATOM 0 H ILE A 26 -1.332 0.122 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 26 0.223 0.834 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.753 0.369 -2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.520 2.850 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.988 2.755 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.121 0.986 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.178 -0.515 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.362 1.009 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.698 3.805 -3.757 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.169 2.263 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.724 2.359 -3.611 1.00 0.00 H new ATOM 429 N ILE A 27 0.435 -1.381 -1.136 1.00 0.00 N ATOM 430 CA ILE A 27 0.665 -2.696 -0.560 1.00 0.00 C ATOM 431 C ILE A 27 -0.141 -2.867 0.731 1.00 0.00 C ATOM 432 O ILE A 27 -0.201 -1.962 1.564 1.00 0.00 O ATOM 433 CB ILE A 27 2.162 -2.938 -0.276 1.00 0.00 C ATOM 434 CG1 ILE A 27 2.385 -4.373 0.206 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.683 -1.940 0.745 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.039 -5.259 -0.831 1.00 0.00 C ATOM 0 H ILE A 27 1.022 -0.645 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 27 0.334 -3.433 -1.291 1.00 0.00 H new ATOM 0 HB ILE A 27 2.718 -2.795 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.006 -4.355 1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.426 -4.806 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.740 -2.128 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.557 -0.928 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.126 -2.048 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.168 -6.262 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.409 -5.306 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.013 -4.848 -1.098 1.00 0.00 H new ATOM 448 N ASP A 28 -0.755 -4.034 0.882 1.00 0.00 N ATOM 449 CA ASP A 28 -1.556 -4.330 2.063 1.00 0.00 C ATOM 450 C ASP A 28 -1.290 -5.749 2.561 1.00 0.00 C ATOM 451 O ASP A 28 -1.531 -6.719 1.849 1.00 0.00 O ATOM 452 CB ASP A 28 -3.044 -4.153 1.750 1.00 0.00 C ATOM 453 CG ASP A 28 -3.935 -4.485 2.932 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.402 -4.651 4.050 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.164 -4.583 2.738 1.00 0.00 O ATOM 0 H ASP A 28 -0.713 -4.792 0.200 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.272 -3.632 2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.226 -3.124 1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.312 -4.791 0.908 1.00 0.00 H new ATOM 460 N VAL A 29 -0.793 -5.859 3.784 1.00 0.00 N ATOM 461 CA VAL A 29 -0.497 -7.159 4.378 1.00 0.00 C ATOM 462 C VAL A 29 -0.522 -7.081 5.898 1.00 0.00 C ATOM 463 O VAL A 29 0.205 -6.287 6.494 1.00 0.00 O ATOM 464 CB VAL A 29 0.881 -7.679 3.927 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.980 -6.699 4.310 1.00 0.00 C ATOM 466 CG2 VAL A 29 1.154 -9.055 4.514 1.00 0.00 C ATOM 0 H VAL A 29 -0.585 -5.063 4.387 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.268 -7.849 4.037 1.00 0.00 H new ATOM 0 HB VAL A 29 0.873 -7.769 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.944 -7.087 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.793 -5.738 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.991 -6.569 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.132 -9.404 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.139 -8.996 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.387 -9.753 4.178 1.00 0.00 H new ATOM 476 N ARG A 30 -1.359 -7.903 6.531 1.00 0.00 N ATOM 477 CA ARG A 30 -1.446 -7.892 7.994 1.00 0.00 C ATOM 478 C ARG A 30 -2.398 -8.956 8.543 1.00 0.00 C ATOM 479 O ARG A 30 -2.863 -8.844 9.676 1.00 0.00 O ATOM 480 CB ARG A 30 -1.884 -6.508 8.494 1.00 0.00 C ATOM 481 CG ARG A 30 -2.762 -5.732 7.518 1.00 0.00 C ATOM 482 CD ARG A 30 -3.966 -6.545 7.064 1.00 0.00 C ATOM 483 NE ARG A 30 -3.941 -6.801 5.624 1.00 0.00 N ATOM 484 CZ ARG A 30 -4.336 -7.942 5.059 1.00 0.00 C ATOM 485 NH1 ARG A 30 -4.785 -8.947 5.804 1.00 0.00 N ATOM 486 NH2 ARG A 30 -4.283 -8.079 3.741 1.00 0.00 N ATOM 0 H ARG A 30 -1.975 -8.572 6.068 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.447 -8.125 8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.425 -6.629 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.995 -5.916 8.713 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.104 -4.811 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.171 -5.444 6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.987 -7.493 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.881 -6.013 7.322 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.599 -6.059 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.830 -8.850 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.085 -9.816 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.941 -7.312 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.585 -8.951 3.306 1.00 0.00 H new ATOM 500 N ASP A 31 -2.687 -9.988 7.753 1.00 0.00 N ATOM 501 CA ASP A 31 -3.585 -11.053 8.196 1.00 0.00 C ATOM 502 C ASP A 31 -4.900 -10.483 8.727 1.00 0.00 C ATOM 503 O ASP A 31 -5.086 -9.268 8.777 1.00 0.00 O ATOM 504 CB ASP A 31 -2.917 -11.889 9.287 1.00 0.00 C ATOM 505 CG ASP A 31 -1.620 -12.525 8.823 1.00 0.00 C ATOM 506 OD1 ASP A 31 -0.595 -11.813 8.770 1.00 0.00 O ATOM 507 OD2 ASP A 31 -1.632 -13.734 8.512 1.00 0.00 O ATOM 0 H ASP A 31 -2.316 -10.110 6.811 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.802 -11.683 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.718 -11.257 10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.604 -12.670 9.613 1.00 0.00 H new ATOM 512 N GLU A 32 -5.804 -11.373 9.135 1.00 0.00 N ATOM 513 CA GLU A 32 -7.101 -10.968 9.677 1.00 0.00 C ATOM 514 C GLU A 32 -7.972 -10.307 8.610 1.00 0.00 C ATOM 515 O GLU A 32 -9.055 -10.798 8.291 1.00 0.00 O ATOM 516 CB GLU A 32 -6.911 -10.016 10.858 1.00 0.00 C ATOM 517 CG GLU A 32 -5.961 -10.547 11.920 1.00 0.00 C ATOM 518 CD GLU A 32 -6.629 -10.721 13.270 1.00 0.00 C ATOM 519 OE1 GLU A 32 -6.930 -9.697 13.918 1.00 0.00 O ATOM 520 OE2 GLU A 32 -6.853 -11.880 13.677 1.00 0.00 O ATOM 0 H GLU A 32 -5.661 -12.382 9.100 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.611 -11.868 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.533 -9.063 10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.881 -9.819 11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.557 -11.505 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.118 -9.863 12.022 1.00 0.00 H new ATOM 527 N GLU A 33 -7.496 -9.192 8.065 1.00 0.00 N ATOM 528 CA GLU A 33 -8.233 -8.463 7.036 1.00 0.00 C ATOM 529 C GLU A 33 -8.590 -9.365 5.856 1.00 0.00 C ATOM 530 O GLU A 33 -9.474 -9.040 5.065 1.00 0.00 O ATOM 531 CB GLU A 33 -7.418 -7.263 6.549 1.00 0.00 C ATOM 532 CG GLU A 33 -7.711 -5.982 7.312 1.00 0.00 C ATOM 533 CD GLU A 33 -8.960 -5.280 6.815 1.00 0.00 C ATOM 534 OE1 GLU A 33 -9.169 -5.241 5.583 1.00 0.00 O ATOM 535 OE2 GLU A 33 -9.729 -4.770 7.656 1.00 0.00 O ATOM 0 H GLU A 33 -6.602 -8.772 8.319 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.162 -8.110 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.357 -7.495 6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.622 -7.101 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.825 -6.212 8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.860 -5.307 7.223 1.00 0.00 H new ATOM 542 N ARG A 34 -7.910 -10.505 5.746 1.00 0.00 N ATOM 543 CA ARG A 34 -8.180 -11.444 4.669 1.00 0.00 C ATOM 544 C ARG A 34 -9.579 -12.031 4.817 1.00 0.00 C ATOM 545 O ARG A 34 -10.130 -12.594 3.872 1.00 0.00 O ATOM 546 CB ARG A 34 -7.137 -12.566 4.664 1.00 0.00 C ATOM 547 CG ARG A 34 -6.778 -13.060 3.271 1.00 0.00 C ATOM 548 CD ARG A 34 -5.397 -13.701 3.244 1.00 0.00 C ATOM 549 NE ARG A 34 -5.409 -14.995 2.565 1.00 0.00 N ATOM 550 CZ ARG A 34 -4.342 -15.785 2.455 1.00 0.00 C ATOM 551 NH1 ARG A 34 -3.178 -15.419 2.976 1.00 0.00 N ATOM 552 NH2 ARG A 34 -4.441 -16.947 1.822 1.00 0.00 N ATOM 0 H ARG A 34 -7.173 -10.796 6.388 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.122 -10.908 3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.233 -12.212 5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.514 -13.403 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.522 -13.783 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.807 -12.226 2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.697 -13.034 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.037 -13.830 4.265 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.286 -15.312 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.096 -14.528 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.365 -16.029 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.333 -17.234 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.625 -17.553 1.737 1.00 0.00 H new ATOM 566 N ASN A 35 -10.151 -11.893 6.012 1.00 0.00 N ATOM 567 CA ASN A 35 -11.485 -12.406 6.279 1.00 0.00 C ATOM 568 C ASN A 35 -12.540 -11.520 5.624 1.00 0.00 C ATOM 569 O ASN A 35 -13.390 -12.000 4.875 1.00 0.00 O ATOM 570 CB ASN A 35 -11.732 -12.496 7.787 1.00 0.00 C ATOM 571 CG ASN A 35 -11.620 -13.916 8.307 1.00 0.00 C ATOM 572 OD1 ASN A 35 -12.584 -14.476 8.828 1.00 0.00 O ATOM 573 ND2 ASN A 35 -10.437 -14.504 8.171 1.00 0.00 N ATOM 0 H ASN A 35 -9.709 -11.431 6.806 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.559 -13.407 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.014 -11.863 8.309 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.724 -12.106 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.300 -15.458 8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.665 -14.002 7.733 1.00 0.00 H new ATOM 580 N TYR A 36 -12.469 -10.222 5.907 1.00 0.00 N ATOM 581 CA TYR A 36 -13.411 -9.263 5.337 1.00 0.00 C ATOM 582 C TYR A 36 -13.322 -9.284 3.818 1.00 0.00 C ATOM 583 O TYR A 36 -14.335 -9.305 3.120 1.00 0.00 O ATOM 584 CB TYR A 36 -13.126 -7.850 5.862 1.00 0.00 C ATOM 585 CG TYR A 36 -12.690 -7.810 7.312 1.00 0.00 C ATOM 586 CD1 TYR A 36 -13.163 -8.742 8.229 1.00 0.00 C ATOM 587 CD2 TYR A 36 -11.802 -6.840 7.762 1.00 0.00 C ATOM 588 CE1 TYR A 36 -12.764 -8.707 9.551 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.399 -6.800 9.083 1.00 0.00 C ATOM 590 CZ TYR A 36 -11.882 -7.735 9.973 1.00 0.00 C ATOM 591 OH TYR A 36 -11.483 -7.698 11.289 1.00 0.00 O ATOM 0 H TYR A 36 -11.771 -9.811 6.526 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.419 -9.547 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -12.350 -7.394 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -14.023 -7.242 5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -13.853 -9.506 7.902 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.421 -6.106 7.068 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.141 -9.438 10.251 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.709 -6.039 9.417 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.860 -6.953 11.421 1.00 0.00 H new ATOM 601 N ASP A 37 -12.094 -9.299 3.319 1.00 0.00 N ATOM 602 CA ASP A 37 -11.843 -9.341 1.885 1.00 0.00 C ATOM 603 C ASP A 37 -12.536 -8.199 1.144 1.00 0.00 C ATOM 604 O ASP A 37 -12.879 -8.340 -0.029 1.00 0.00 O ATOM 605 CB ASP A 37 -12.300 -10.682 1.309 1.00 0.00 C ATOM 606 CG ASP A 37 -11.372 -11.189 0.222 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.699 -10.355 -0.419 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.320 -12.419 0.013 1.00 0.00 O ATOM 0 H ASP A 37 -11.250 -9.283 3.891 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.769 -9.224 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.354 -11.419 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.307 -10.577 0.904 1.00 0.00 H new ATOM 613 N GLY A 38 -12.725 -7.063 1.815 1.00 0.00 N ATOM 614 CA GLY A 38 -13.358 -5.923 1.160 1.00 0.00 C ATOM 615 C GLY A 38 -12.712 -5.637 -0.184 1.00 0.00 C ATOM 616 O GLY A 38 -11.666 -6.206 -0.491 1.00 0.00 O ATOM 0 H GLY A 38 -12.456 -6.910 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.420 -6.123 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.280 -5.043 1.799 1.00 0.00 H new ATOM 620 N HIS A 39 -13.313 -4.768 -0.995 1.00 0.00 N ATOM 621 CA HIS A 39 -12.729 -4.471 -2.299 1.00 0.00 C ATOM 622 C HIS A 39 -13.160 -3.122 -2.874 1.00 0.00 C ATOM 623 O HIS A 39 -12.985 -2.883 -4.067 1.00 0.00 O ATOM 624 CB HIS A 39 -13.038 -5.585 -3.297 1.00 0.00 C ATOM 625 CG HIS A 39 -12.256 -6.839 -3.059 1.00 0.00 C ATOM 626 ND1 HIS A 39 -12.855 -7.982 -2.586 1.00 0.00 N ATOM 627 CD2 HIS A 39 -10.935 -7.076 -3.249 1.00 0.00 C ATOM 628 CE1 HIS A 39 -11.893 -8.884 -2.500 1.00 0.00 C ATOM 629 NE2 HIS A 39 -10.712 -8.381 -2.890 1.00 0.00 N ATOM 0 H HIS A 39 -14.178 -4.271 -0.781 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.653 -4.410 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -14.102 -5.817 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -12.833 -5.225 -4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.200 -6.373 -3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.039 -9.898 -2.159 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.820 -8.874 -2.915 1.00 0.00 H new ATOM 637 N ILE A 40 -13.653 -2.209 -2.036 1.00 0.00 N ATOM 638 CA ILE A 40 -14.006 -0.868 -2.520 1.00 0.00 C ATOM 639 C ILE A 40 -12.717 -0.051 -2.642 1.00 0.00 C ATOM 640 O ILE A 40 -12.724 1.178 -2.718 1.00 0.00 O ATOM 641 CB ILE A 40 -14.983 -0.140 -1.569 1.00 0.00 C ATOM 642 CG1 ILE A 40 -15.515 1.134 -2.231 1.00 0.00 C ATOM 643 CG2 ILE A 40 -14.306 0.186 -0.244 1.00 0.00 C ATOM 644 CD1 ILE A 40 -16.945 1.013 -2.711 1.00 0.00 C ATOM 0 H ILE A 40 -13.815 -2.364 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.507 -0.970 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 40 -15.824 -0.803 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -15.447 1.958 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -14.876 1.388 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -15.012 0.698 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -13.975 -0.737 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -13.446 0.830 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.256 1.952 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.016 0.210 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -17.595 0.789 -1.865 1.00 0.00 H new ATOM 656 N ALA A 41 -11.617 -0.795 -2.636 1.00 0.00 N ATOM 657 CA ALA A 41 -10.262 -0.289 -2.719 1.00 0.00 C ATOM 658 C ALA A 41 -9.403 -1.233 -3.561 1.00 0.00 C ATOM 659 O ALA A 41 -9.615 -2.444 -3.553 1.00 0.00 O ATOM 660 CB ALA A 41 -9.671 -0.128 -1.327 1.00 0.00 C ATOM 0 H ALA A 41 -11.653 -1.812 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.279 0.690 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.653 0.253 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.277 0.573 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.659 -1.094 -0.823 1.00 0.00 H new ATOM 666 N GLY A 42 -8.458 -0.692 -4.308 1.00 0.00 N ATOM 667 CA GLY A 42 -7.592 -1.527 -5.117 1.00 0.00 C ATOM 668 C GLY A 42 -6.445 -2.087 -4.296 1.00 0.00 C ATOM 669 O GLY A 42 -6.674 -2.826 -3.338 1.00 0.00 O ATOM 0 H GLY A 42 -8.272 0.309 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.169 -2.346 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.196 -0.946 -5.950 1.00 0.00 H new ATOM 673 N SER A 43 -5.210 -1.735 -4.646 1.00 0.00 N ATOM 674 CA SER A 43 -4.051 -2.216 -3.898 1.00 0.00 C ATOM 675 C SER A 43 -4.013 -3.742 -3.860 1.00 0.00 C ATOM 676 O SER A 43 -4.819 -4.409 -4.509 1.00 0.00 O ATOM 677 CB SER A 43 -4.096 -1.666 -2.470 1.00 0.00 C ATOM 678 OG SER A 43 -4.833 -0.458 -2.411 1.00 0.00 O ATOM 0 H SER A 43 -4.987 -1.126 -5.433 1.00 0.00 H new ATOM 0 HA SER A 43 -3.150 -1.865 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.548 -2.404 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.081 -1.494 -2.111 1.00 0.00 H new ATOM 0 HG SER A 43 -5.716 -0.632 -2.023 1.00 0.00 H new ATOM 684 N LEU A 44 -3.077 -4.285 -3.086 1.00 0.00 N ATOM 685 CA LEU A 44 -2.939 -5.732 -2.952 1.00 0.00 C ATOM 686 C LEU A 44 -2.947 -6.139 -1.480 1.00 0.00 C ATOM 687 O LEU A 44 -2.102 -5.700 -0.705 1.00 0.00 O ATOM 688 CB LEU A 44 -1.649 -6.210 -3.620 1.00 0.00 C ATOM 689 CG LEU A 44 -0.370 -5.533 -3.119 1.00 0.00 C ATOM 690 CD1 LEU A 44 0.703 -6.569 -2.824 1.00 0.00 C ATOM 691 CD2 LEU A 44 0.131 -4.518 -4.136 1.00 0.00 C ATOM 0 H LEU A 44 -2.403 -3.745 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.788 -6.202 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.556 -7.285 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.732 -6.046 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.601 -5.006 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.604 -6.069 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.344 -7.256 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.931 -7.126 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.040 -4.047 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.344 -5.022 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.632 -3.756 -4.296 1.00 0.00 H new ATOM 703 N HIS A 45 -3.912 -6.973 -1.099 1.00 0.00 N ATOM 704 CA HIS A 45 -4.028 -7.420 0.287 1.00 0.00 C ATOM 705 C HIS A 45 -3.546 -8.861 0.460 1.00 0.00 C ATOM 706 O HIS A 45 -3.857 -9.731 -0.355 1.00 0.00 O ATOM 707 CB HIS A 45 -5.478 -7.293 0.765 1.00 0.00 C ATOM 708 CG HIS A 45 -6.406 -8.311 0.172 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.749 -8.557 -1.116 1.00 0.00 N flip ATOM 710 CD2 HIS A 45 -7.104 -9.225 0.933 1.00 0.00 C flip ATOM 711 CE1 HIS A 45 -7.639 -9.603 -1.108 1.00 0.00 C flip ATOM 712 NE2 HIS A 45 -7.836 -9.989 0.140 1.00 0.00 N flip ATOM 0 H HIS A 45 -4.621 -7.351 -1.727 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.389 -6.779 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.501 -7.384 1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.845 -6.296 0.521 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.060 -9.304 2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.103 -10.039 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.448 -10.747 0.441 1.00 0.00 H new ATOM 721 N TYR A 46 -2.799 -9.110 1.537 1.00 0.00 N ATOM 722 CA TYR A 46 -2.296 -10.451 1.823 1.00 0.00 C ATOM 723 C TYR A 46 -1.838 -10.580 3.281 1.00 0.00 C ATOM 724 O TYR A 46 -2.199 -9.765 4.129 1.00 0.00 O ATOM 725 CB TYR A 46 -1.174 -10.831 0.849 1.00 0.00 C ATOM 726 CG TYR A 46 0.023 -9.907 0.858 1.00 0.00 C ATOM 727 CD1 TYR A 46 -0.100 -8.561 0.534 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.288 -10.393 1.167 1.00 0.00 C ATOM 729 CE1 TYR A 46 1.002 -7.727 0.519 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.392 -9.564 1.160 1.00 0.00 C ATOM 731 CZ TYR A 46 2.245 -8.233 0.835 1.00 0.00 C ATOM 732 OH TYR A 46 3.345 -7.407 0.823 1.00 0.00 O ATOM 0 H TYR A 46 -2.531 -8.403 2.222 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.117 -11.153 1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.836 -11.840 1.084 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.584 -10.859 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.073 -8.160 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.409 -11.437 1.417 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.890 -6.684 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.367 -9.957 1.408 1.00 0.00 H new ATOM 0 HH TYR A 46 4.142 -7.920 1.070 1.00 0.00 H new ATOM 742 N ALA A 47 -1.075 -11.634 3.571 1.00 0.00 N ATOM 743 CA ALA A 47 -0.606 -11.892 4.931 1.00 0.00 C ATOM 744 C ALA A 47 0.913 -12.037 5.000 1.00 0.00 C ATOM 745 O ALA A 47 1.630 -11.662 4.073 1.00 0.00 O ATOM 746 CB ALA A 47 -1.259 -13.158 5.460 1.00 0.00 C ATOM 0 H ALA A 47 -0.769 -12.322 2.883 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.884 -11.035 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.910 -13.351 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.342 -13.033 5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.995 -13.999 4.819 1.00 0.00 H new ATOM 752 N SER A 48 1.389 -12.603 6.111 1.00 0.00 N ATOM 753 CA SER A 48 2.816 -12.820 6.314 1.00 0.00 C ATOM 754 C SER A 48 3.250 -14.173 5.760 1.00 0.00 C ATOM 755 O SER A 48 4.271 -14.726 6.169 1.00 0.00 O ATOM 756 CB SER A 48 3.167 -12.725 7.800 1.00 0.00 C ATOM 757 OG SER A 48 2.728 -13.874 8.504 1.00 0.00 O ATOM 0 H SER A 48 0.802 -12.919 6.883 1.00 0.00 H new ATOM 0 HA SER A 48 3.352 -12.040 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.245 -12.614 7.915 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.707 -11.835 8.229 1.00 0.00 H new ATOM 0 HG SER A 48 2.966 -13.788 9.451 1.00 0.00 H new ATOM 763 N GLY A 49 2.478 -14.690 4.814 1.00 0.00 N ATOM 764 CA GLY A 49 2.807 -15.960 4.196 1.00 0.00 C ATOM 765 C GLY A 49 3.699 -15.762 2.991 1.00 0.00 C ATOM 766 O GLY A 49 4.495 -16.633 2.638 1.00 0.00 O ATOM 0 H GLY A 49 1.627 -14.251 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.307 -16.603 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.892 -16.470 3.895 1.00 0.00 H new ATOM 770 N SER A 50 3.570 -14.593 2.371 1.00 0.00 N ATOM 771 CA SER A 50 4.369 -14.238 1.211 1.00 0.00 C ATOM 772 C SER A 50 4.974 -12.847 1.387 1.00 0.00 C ATOM 773 O SER A 50 5.494 -12.261 0.438 1.00 0.00 O ATOM 774 CB SER A 50 3.517 -14.276 -0.056 1.00 0.00 C ATOM 775 OG SER A 50 4.204 -14.919 -1.116 1.00 0.00 O ATOM 0 H SER A 50 2.911 -13.870 2.660 1.00 0.00 H new ATOM 0 HA SER A 50 5.175 -14.965 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.583 -14.800 0.146 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.255 -13.260 -0.352 1.00 0.00 H new ATOM 0 HG SER A 50 3.636 -14.931 -1.914 1.00 0.00 H new ATOM 781 N PHE A 51 4.912 -12.327 2.615 1.00 0.00 N ATOM 782 CA PHE A 51 5.458 -11.017 2.921 1.00 0.00 C ATOM 783 C PHE A 51 6.970 -11.009 2.751 1.00 0.00 C ATOM 784 O PHE A 51 7.605 -9.956 2.807 1.00 0.00 O ATOM 785 CB PHE A 51 5.080 -10.599 4.347 1.00 0.00 C ATOM 786 CG PHE A 51 5.822 -11.338 5.433 1.00 0.00 C ATOM 787 CD1 PHE A 51 5.956 -12.719 5.400 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.381 -10.643 6.492 1.00 0.00 C ATOM 789 CE1 PHE A 51 6.636 -13.388 6.401 1.00 0.00 C ATOM 790 CE2 PHE A 51 7.062 -11.306 7.496 1.00 0.00 C ATOM 791 CZ PHE A 51 7.189 -12.680 7.450 1.00 0.00 C ATOM 0 H PHE A 51 4.486 -12.801 3.412 1.00 0.00 H new ATOM 0 HA PHE A 51 5.031 -10.298 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.265 -9.531 4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.010 -10.753 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.524 -13.278 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.284 -9.568 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.735 -14.463 6.363 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.494 -10.750 8.315 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.720 -13.200 8.233 1.00 0.00 H new ATOM 801 N ASP A 52 7.547 -12.187 2.537 1.00 0.00 N ATOM 802 CA ASP A 52 8.981 -12.299 2.353 1.00 0.00 C ATOM 803 C ASP A 52 9.320 -12.771 0.940 1.00 0.00 C ATOM 804 O ASP A 52 10.473 -12.708 0.516 1.00 0.00 O ATOM 805 CB ASP A 52 9.587 -13.260 3.379 1.00 0.00 C ATOM 806 CG ASP A 52 9.137 -12.961 4.796 1.00 0.00 C ATOM 807 OD1 ASP A 52 8.476 -11.925 5.003 1.00 0.00 O ATOM 808 OD2 ASP A 52 9.449 -13.765 5.699 1.00 0.00 O ATOM 0 H ASP A 52 7.042 -13.072 2.488 1.00 0.00 H new ATOM 0 HA ASP A 52 9.409 -11.308 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.309 -14.282 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.674 -13.202 3.327 1.00 0.00 H new ATOM 813 N ASP A 53 8.309 -13.245 0.215 1.00 0.00 N ATOM 814 CA ASP A 53 8.508 -13.723 -1.144 1.00 0.00 C ATOM 815 C ASP A 53 7.714 -12.886 -2.144 1.00 0.00 C ATOM 816 O ASP A 53 7.542 -13.286 -3.296 1.00 0.00 O ATOM 817 CB ASP A 53 8.099 -15.194 -1.255 1.00 0.00 C ATOM 818 CG ASP A 53 9.049 -16.117 -0.519 1.00 0.00 C ATOM 819 OD1 ASP A 53 10.224 -16.211 -0.933 1.00 0.00 O ATOM 820 OD2 ASP A 53 8.620 -16.745 0.471 1.00 0.00 O ATOM 0 H ASP A 53 7.347 -13.307 0.548 1.00 0.00 H new ATOM 0 HA ASP A 53 9.567 -13.627 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.093 -15.319 -0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.062 -15.479 -2.306 1.00 0.00 H new ATOM 825 N LYS A 54 7.228 -11.724 -1.706 1.00 0.00 N ATOM 826 CA LYS A 54 6.453 -10.851 -2.585 1.00 0.00 C ATOM 827 C LYS A 54 7.123 -9.494 -2.743 1.00 0.00 C ATOM 828 O LYS A 54 7.092 -8.898 -3.819 1.00 0.00 O ATOM 829 CB LYS A 54 5.031 -10.672 -2.052 1.00 0.00 C ATOM 830 CG LYS A 54 4.172 -11.918 -2.181 1.00 0.00 C ATOM 831 CD LYS A 54 3.939 -12.290 -3.636 1.00 0.00 C ATOM 832 CE LYS A 54 3.213 -11.183 -4.386 1.00 0.00 C ATOM 833 NZ LYS A 54 2.143 -11.722 -5.271 1.00 0.00 N ATOM 0 H LYS A 54 7.356 -11.369 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 54 6.406 -11.327 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.079 -10.381 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.551 -9.853 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.655 -12.748 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.213 -11.752 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.895 -12.491 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.356 -13.209 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.776 -10.486 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.929 -10.619 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.672 -10.937 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.563 -12.368 -5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.446 -12.238 -4.698 1.00 0.00 H new ATOM 847 N ILE A 55 7.737 -9.016 -1.666 1.00 0.00 N ATOM 848 CA ILE A 55 8.430 -7.732 -1.689 1.00 0.00 C ATOM 849 C ILE A 55 9.307 -7.627 -2.932 1.00 0.00 C ATOM 850 O ILE A 55 9.212 -6.674 -3.706 1.00 0.00 O ATOM 851 CB ILE A 55 9.342 -7.533 -0.457 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.789 -8.213 0.801 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.556 -6.058 -0.192 1.00 0.00 C ATOM 854 CD1 ILE A 55 7.400 -7.788 1.181 1.00 0.00 C ATOM 0 H ILE A 55 7.769 -9.497 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 55 7.655 -6.966 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 55 10.295 -8.007 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.796 -9.292 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.459 -8.005 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.200 -5.934 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.027 -5.597 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.595 -5.579 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.090 -8.319 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.387 -6.715 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.713 -8.021 0.368 1.00 0.00 H new ATOM 866 N SER A 56 10.163 -8.627 -3.106 1.00 0.00 N ATOM 867 CA SER A 56 11.067 -8.670 -4.241 1.00 0.00 C ATOM 868 C SER A 56 10.422 -9.298 -5.457 1.00 0.00 C ATOM 869 O SER A 56 10.943 -9.213 -6.562 1.00 0.00 O ATOM 870 CB SER A 56 12.394 -9.347 -3.911 1.00 0.00 C ATOM 871 OG SER A 56 13.481 -8.667 -4.516 1.00 0.00 O ATOM 0 H SER A 56 10.247 -9.420 -2.471 1.00 0.00 H new ATOM 0 HA SER A 56 11.292 -7.632 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.534 -9.372 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.373 -10.381 -4.254 1.00 0.00 H new ATOM 0 HG SER A 56 14.198 -9.306 -4.712 1.00 0.00 H new ATOM 877 N HIS A 57 9.249 -9.846 -5.265 1.00 0.00 N ATOM 878 CA HIS A 57 8.488 -10.382 -6.378 1.00 0.00 C ATOM 879 C HIS A 57 8.173 -9.190 -7.263 1.00 0.00 C ATOM 880 O HIS A 57 8.209 -9.256 -8.493 1.00 0.00 O ATOM 881 CB HIS A 57 7.205 -11.069 -5.905 1.00 0.00 C ATOM 882 CG HIS A 57 6.456 -11.757 -7.004 1.00 0.00 C ATOM 883 ND1 HIS A 57 5.483 -11.132 -7.758 1.00 0.00 N ATOM 884 CD2 HIS A 57 6.540 -13.023 -7.476 1.00 0.00 C ATOM 885 CE1 HIS A 57 5.001 -11.985 -8.645 1.00 0.00 C ATOM 886 NE2 HIS A 57 5.627 -13.138 -8.495 1.00 0.00 N ATOM 0 H HIS A 57 8.797 -9.935 -4.355 1.00 0.00 H new ATOM 0 HA HIS A 57 9.053 -11.146 -6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.456 -11.798 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.555 -10.327 -5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.202 -13.798 -7.118 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.227 -11.775 -9.369 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.459 -13.979 -9.047 1.00 0.00 H new ATOM 895 N LEU A 58 7.934 -8.070 -6.580 1.00 0.00 N ATOM 896 CA LEU A 58 7.688 -6.807 -7.228 1.00 0.00 C ATOM 897 C LEU A 58 9.034 -6.241 -7.631 1.00 0.00 C ATOM 898 O LEU A 58 9.152 -5.543 -8.636 1.00 0.00 O ATOM 899 CB LEU A 58 6.958 -5.841 -6.292 1.00 0.00 C ATOM 900 CG LEU A 58 6.764 -4.428 -6.844 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.424 -4.311 -7.554 1.00 0.00 C ATOM 902 CD2 LEU A 58 6.868 -3.400 -5.727 1.00 0.00 C ATOM 0 H LEU A 58 7.908 -8.026 -5.561 1.00 0.00 H new ATOM 0 HA LEU A 58 7.049 -6.948 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.980 -6.259 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.513 -5.776 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 58 7.554 -4.230 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.304 -3.299 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.387 -5.021 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.620 -4.529 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.727 -2.400 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.100 -3.596 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.852 -3.466 -5.262 1.00 0.00 H new ATOM 914 N VAL A 59 10.071 -6.603 -6.857 1.00 0.00 N ATOM 915 CA VAL A 59 11.426 -6.173 -7.178 1.00 0.00 C ATOM 916 C VAL A 59 11.766 -6.683 -8.576 1.00 0.00 C ATOM 917 O VAL A 59 12.448 -6.020 -9.359 1.00 0.00 O ATOM 918 CB VAL A 59 12.467 -6.749 -6.188 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.839 -6.768 -6.812 1.00 0.00 C ATOM 920 CG2 VAL A 59 12.487 -5.989 -4.866 1.00 0.00 C ATOM 0 H VAL A 59 9.992 -7.182 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 59 11.463 -5.085 -7.117 1.00 0.00 H new ATOM 0 HB VAL A 59 12.168 -7.773 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.557 -7.176 -6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.823 -7.389 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.131 -5.753 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.233 -6.430 -4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.738 -4.944 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.505 -6.049 -4.397 1.00 0.00 H new ATOM 930 N GLN A 60 11.266 -7.882 -8.857 1.00 0.00 N ATOM 931 CA GLN A 60 11.468 -8.552 -10.128 1.00 0.00 C ATOM 932 C GLN A 60 10.624 -7.905 -11.215 1.00 0.00 C ATOM 933 O GLN A 60 10.995 -7.905 -12.389 1.00 0.00 O ATOM 934 CB GLN A 60 11.090 -10.030 -9.979 1.00 0.00 C ATOM 935 CG GLN A 60 12.237 -10.930 -9.540 1.00 0.00 C ATOM 936 CD GLN A 60 13.151 -10.282 -8.514 1.00 0.00 C ATOM 937 OE1 GLN A 60 12.933 -10.400 -7.310 1.00 0.00 O ATOM 938 NE2 GLN A 60 14.185 -9.596 -8.990 1.00 0.00 N ATOM 0 H GLN A 60 10.703 -8.419 -8.197 1.00 0.00 H new ATOM 0 HA GLN A 60 12.516 -8.466 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.280 -10.114 -9.254 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.704 -10.392 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.828 -11.850 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.825 -11.210 -10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.329 -9.523 -9.997 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.835 -9.142 -8.348 1.00 0.00 H new ATOM 947 N ASN A 61 9.479 -7.359 -10.818 1.00 0.00 N ATOM 948 CA ASN A 61 8.577 -6.715 -11.761 1.00 0.00 C ATOM 949 C ASN A 61 8.473 -5.219 -11.484 1.00 0.00 C ATOM 950 O ASN A 61 7.415 -4.617 -11.665 1.00 0.00 O ATOM 951 CB ASN A 61 7.193 -7.360 -11.690 1.00 0.00 C ATOM 952 CG ASN A 61 7.115 -8.653 -12.479 1.00 0.00 C ATOM 953 OD1 ASN A 61 6.237 -8.825 -13.324 1.00 0.00 O ATOM 954 ND2 ASN A 61 8.037 -9.574 -12.209 1.00 0.00 N ATOM 0 H ASN A 61 9.156 -7.351 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 61 8.982 -6.848 -12.764 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.941 -7.558 -10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.449 -6.660 -12.071 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.033 -10.462 -12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.748 -9.392 -11.501 1.00 0.00 H new ATOM 961 N VAL A 62 9.578 -4.624 -11.047 1.00 0.00 N ATOM 962 CA VAL A 62 9.610 -3.198 -10.747 1.00 0.00 C ATOM 963 C VAL A 62 9.252 -2.371 -11.974 1.00 0.00 C ATOM 964 O VAL A 62 8.588 -1.340 -11.870 1.00 0.00 O ATOM 965 CB VAL A 62 10.996 -2.761 -10.244 1.00 0.00 C ATOM 966 CG1 VAL A 62 11.262 -3.328 -8.861 1.00 0.00 C ATOM 967 CG2 VAL A 62 12.082 -3.190 -11.219 1.00 0.00 C ATOM 0 H VAL A 62 10.463 -5.107 -10.893 1.00 0.00 H new ATOM 0 HA VAL A 62 8.873 -3.025 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 62 11.010 -1.673 -10.178 1.00 0.00 H new ATOM 0 HG11 VAL A 62 12.247 -3.009 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.503 -2.966 -8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.227 -4.417 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.054 -2.871 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.071 -4.275 -11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.900 -2.732 -12.191 1.00 0.00 H new ATOM 977 N LYS A 63 9.701 -2.830 -13.136 1.00 0.00 N ATOM 978 CA LYS A 63 9.434 -2.132 -14.389 1.00 0.00 C ATOM 979 C LYS A 63 9.875 -0.673 -14.312 1.00 0.00 C ATOM 980 O LYS A 63 9.354 0.179 -15.032 1.00 0.00 O ATOM 981 CB LYS A 63 7.945 -2.206 -14.730 1.00 0.00 C ATOM 982 CG LYS A 63 7.555 -3.468 -15.484 1.00 0.00 C ATOM 983 CD LYS A 63 6.236 -4.033 -14.980 1.00 0.00 C ATOM 984 CE LYS A 63 5.907 -5.360 -15.644 1.00 0.00 C ATOM 985 NZ LYS A 63 6.524 -6.511 -14.927 1.00 0.00 N ATOM 0 H LYS A 63 10.252 -3.683 -13.237 1.00 0.00 H new ATOM 0 HA LYS A 63 10.008 -2.623 -15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.366 -2.150 -13.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.674 -1.337 -15.329 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.474 -3.247 -16.548 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.339 -4.217 -15.372 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.286 -4.168 -13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.435 -3.319 -15.175 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.825 -5.491 -15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.257 -5.346 -16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.043 -7.104 -15.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.181 -6.157 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.779 -7.076 -14.472 1.00 0.00 H new ATOM 999 N ASP A 64 10.836 -0.388 -13.434 1.00 0.00 N ATOM 1000 CA ASP A 64 11.343 0.972 -13.261 1.00 0.00 C ATOM 1001 C ASP A 64 10.305 1.854 -12.573 1.00 0.00 C ATOM 1002 O ASP A 64 10.563 2.426 -11.514 1.00 0.00 O ATOM 1003 CB ASP A 64 11.732 1.580 -14.612 1.00 0.00 C ATOM 1004 CG ASP A 64 12.551 0.628 -15.461 1.00 0.00 C ATOM 1005 OD1 ASP A 64 13.756 0.462 -15.175 1.00 0.00 O ATOM 1006 OD2 ASP A 64 11.989 0.048 -16.414 1.00 0.00 O ATOM 0 H ASP A 64 11.279 -1.081 -12.831 1.00 0.00 H new ATOM 0 HA ASP A 64 12.230 0.921 -12.630 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.829 1.861 -15.154 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.301 2.495 -14.445 1.00 0.00 H new ATOM 1011 N LYS A 65 9.130 1.956 -13.185 1.00 0.00 N ATOM 1012 CA LYS A 65 8.043 2.762 -12.641 1.00 0.00 C ATOM 1013 C LYS A 65 7.344 2.025 -11.509 1.00 0.00 C ATOM 1014 O LYS A 65 6.456 1.206 -11.744 1.00 0.00 O ATOM 1015 CB LYS A 65 7.036 3.070 -13.739 1.00 0.00 C ATOM 1016 CG LYS A 65 7.095 4.500 -14.253 1.00 0.00 C ATOM 1017 CD LYS A 65 7.025 4.552 -15.772 1.00 0.00 C ATOM 1018 CE LYS A 65 5.647 4.160 -16.285 1.00 0.00 C ATOM 1019 NZ LYS A 65 5.697 2.935 -17.131 1.00 0.00 N ATOM 0 H LYS A 65 8.905 1.488 -14.063 1.00 0.00 H new ATOM 0 HA LYS A 65 8.461 3.690 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.204 2.388 -14.573 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.032 2.872 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.270 5.074 -13.830 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.018 4.971 -13.914 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.268 5.558 -16.113 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.775 3.883 -16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.980 3.991 -15.440 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.227 4.983 -16.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.739 2.701 -17.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.314 3.104 -17.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.074 2.143 -16.573 1.00 0.00 H new ATOM 1033 N ASP A 66 7.740 2.322 -10.283 1.00 0.00 N ATOM 1034 CA ASP A 66 7.127 1.676 -9.126 1.00 0.00 C ATOM 1035 C ASP A 66 7.240 2.481 -7.837 1.00 0.00 C ATOM 1036 O ASP A 66 8.322 2.684 -7.308 1.00 0.00 O ATOM 1037 CB ASP A 66 7.748 0.291 -8.915 1.00 0.00 C ATOM 1038 CG ASP A 66 6.714 -0.818 -8.942 1.00 0.00 C ATOM 1039 OD1 ASP A 66 6.435 -1.344 -10.039 1.00 0.00 O ATOM 1040 OD2 ASP A 66 6.184 -1.162 -7.864 1.00 0.00 O ATOM 0 H ASP A 66 8.472 2.996 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 66 6.064 1.597 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.493 0.108 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.271 0.273 -7.959 1.00 0.00 H new ATOM 1045 N THR A 67 6.081 2.852 -7.307 1.00 0.00 N ATOM 1046 CA THR A 67 5.970 3.546 -6.031 1.00 0.00 C ATOM 1047 C THR A 67 5.076 2.692 -5.140 1.00 0.00 C ATOM 1048 O THR A 67 4.086 2.144 -5.624 1.00 0.00 O ATOM 1049 CB THR A 67 5.393 4.957 -6.204 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.287 5.778 -6.932 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.094 5.657 -4.896 1.00 0.00 C ATOM 0 H THR A 67 5.182 2.677 -7.756 1.00 0.00 H new ATOM 0 HA THR A 67 6.955 3.676 -5.582 1.00 0.00 H new ATOM 0 HB THR A 67 4.455 4.815 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.901 6.673 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.689 6.649 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.365 5.076 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.012 5.751 -4.316 1.00 0.00 H new ATOM 1059 N LEU A 68 5.407 2.544 -3.867 1.00 0.00 N ATOM 1060 CA LEU A 68 4.581 1.711 -2.998 1.00 0.00 C ATOM 1061 C LEU A 68 4.074 2.467 -1.779 1.00 0.00 C ATOM 1062 O LEU A 68 4.844 3.083 -1.049 1.00 0.00 O ATOM 1063 CB LEU A 68 5.367 0.479 -2.544 1.00 0.00 C ATOM 1064 CG LEU A 68 5.324 -0.709 -3.508 1.00 0.00 C ATOM 1065 CD1 LEU A 68 6.094 -1.891 -2.938 1.00 0.00 C ATOM 1066 CD2 LEU A 68 3.883 -1.100 -3.801 1.00 0.00 C ATOM 0 H LEU A 68 6.216 2.974 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 68 3.713 1.406 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.407 0.766 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.981 0.157 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 68 5.799 -0.412 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.051 -2.725 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.133 -1.605 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.650 -2.191 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.868 -1.946 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.385 -1.378 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.362 -0.256 -4.253 1.00 0.00 H new ATOM 1078 N VAL A 69 2.771 2.371 -1.539 1.00 0.00 N ATOM 1079 CA VAL A 69 2.163 2.999 -0.382 1.00 0.00 C ATOM 1080 C VAL A 69 1.485 1.906 0.427 1.00 0.00 C ATOM 1081 O VAL A 69 0.714 1.128 -0.122 1.00 0.00 O ATOM 1082 CB VAL A 69 1.158 4.119 -0.774 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.005 4.215 -2.286 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.198 3.915 -0.113 1.00 0.00 C ATOM 0 H VAL A 69 2.118 1.862 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 69 2.933 3.493 0.210 1.00 0.00 H new ATOM 0 HB VAL A 69 1.568 5.061 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.296 5.006 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.972 4.442 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.637 3.266 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.873 4.718 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.614 2.957 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.080 3.924 0.971 1.00 0.00 H new ATOM 1094 N PHE A 70 1.808 1.795 1.709 1.00 0.00 N ATOM 1095 CA PHE A 70 1.239 0.707 2.503 1.00 0.00 C ATOM 1096 C PHE A 70 0.086 1.138 3.391 1.00 0.00 C ATOM 1097 O PHE A 70 -0.012 2.295 3.794 1.00 0.00 O ATOM 1098 CB PHE A 70 2.323 0.058 3.372 1.00 0.00 C ATOM 1099 CG PHE A 70 3.313 1.029 3.955 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.421 1.432 3.225 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.137 1.533 5.233 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.336 2.319 3.761 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.047 2.422 5.773 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.148 2.815 5.037 1.00 0.00 C ATOM 0 H PHE A 70 2.439 2.420 2.211 1.00 0.00 H new ATOM 0 HA PHE A 70 0.841 -0.008 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.843 -0.486 4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.862 -0.676 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.571 1.049 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.279 1.228 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.196 2.624 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.897 2.809 6.770 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.861 3.509 5.458 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.767 0.147 3.693 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.955 0.300 4.552 1.00 0.00 C ATOM 1116 C HIS A 71 -3.181 -0.342 3.894 1.00 0.00 C ATOM 1117 O HIS A 71 -3.322 -1.565 3.912 1.00 0.00 O ATOM 1118 CB HIS A 71 -2.261 1.761 4.909 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.671 2.204 6.210 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.658 1.415 7.343 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -1.100 3.377 6.566 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -1.108 2.088 8.337 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -0.759 3.280 7.893 1.00 0.00 N ATOM 0 H HIS A 71 -0.649 -0.803 3.341 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.723 -0.214 5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.886 2.405 4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.342 1.897 4.947 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.017 0.462 7.403 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.941 4.232 5.925 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.968 1.724 9.344 1.00 0.00 H new ATOM 1132 N SER A 72 -4.068 0.482 3.314 1.00 0.00 N ATOM 1133 CA SER A 72 -5.277 -0.019 2.658 1.00 0.00 C ATOM 1134 C SER A 72 -5.882 -1.199 3.420 1.00 0.00 C ATOM 1135 O SER A 72 -6.447 -2.113 2.818 1.00 0.00 O ATOM 1136 CB SER A 72 -4.963 -0.433 1.219 1.00 0.00 C ATOM 1137 OG SER A 72 -5.107 0.662 0.330 1.00 0.00 O ATOM 0 H SER A 72 -3.967 1.497 3.288 1.00 0.00 H new ATOM 0 HA SER A 72 -6.010 0.788 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.946 -0.820 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.629 -1.241 0.916 1.00 0.00 H new ATOM 0 HG SER A 72 -4.897 0.372 -0.582 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.754 -1.177 4.745 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.283 -2.251 5.577 1.00 0.00 C ATOM 1145 C ALA A 73 -6.564 -1.772 6.998 1.00 0.00 C ATOM 1146 O ALA A 73 -7.624 -2.055 7.557 1.00 0.00 O ATOM 1147 CB ALA A 73 -5.314 -3.424 5.596 1.00 0.00 C ATOM 0 H ALA A 73 -5.290 -0.430 5.262 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.229 -2.576 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.719 -4.220 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.172 -3.795 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.356 -3.098 6.000 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.613 -1.047 7.581 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.769 -0.537 8.936 1.00 0.00 C ATOM 1155 C LEU A 74 -5.598 0.977 8.958 1.00 0.00 C ATOM 1156 O LEU A 74 -6.491 1.704 9.394 1.00 0.00 O ATOM 1157 CB LEU A 74 -4.758 -1.197 9.878 1.00 0.00 C ATOM 1158 CG LEU A 74 -4.139 -2.498 9.361 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -2.894 -2.204 8.539 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -3.811 -3.429 10.518 1.00 0.00 C ATOM 0 H LEU A 74 -4.729 -0.801 7.136 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.774 -0.780 9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.956 -0.487 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.250 -1.400 10.829 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.865 -2.995 8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.466 -3.140 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.159 -1.576 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.163 -1.686 9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.372 -4.349 10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.102 -2.942 11.187 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.724 -3.665 11.065 1.00 0.00 H new ATOM 1172 N SER A 75 -4.447 1.449 8.487 1.00 0.00 N ATOM 1173 CA SER A 75 -4.170 2.882 8.456 1.00 0.00 C ATOM 1174 C SER A 75 -3.975 3.429 9.866 1.00 0.00 C ATOM 1175 O SER A 75 -4.046 4.639 10.087 1.00 0.00 O ATOM 1176 CB SER A 75 -5.314 3.628 7.763 1.00 0.00 C ATOM 1177 OG SER A 75 -4.847 4.810 7.137 1.00 0.00 O ATOM 0 H SER A 75 -3.695 0.864 8.123 1.00 0.00 H new ATOM 0 HA SER A 75 -3.249 3.037 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.779 2.979 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.083 3.879 8.493 1.00 0.00 H new ATOM 0 HG SER A 75 -4.351 5.350 7.787 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.732 2.533 10.820 1.00 0.00 N ATOM 1184 CA GLN A 76 -3.534 2.937 12.209 1.00 0.00 C ATOM 1185 C GLN A 76 -2.054 3.164 12.510 1.00 0.00 C ATOM 1186 O GLN A 76 -1.598 4.304 12.601 1.00 0.00 O ATOM 1187 CB GLN A 76 -4.111 1.891 13.170 1.00 0.00 C ATOM 1188 CG GLN A 76 -5.371 1.204 12.664 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.456 -0.242 13.105 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -4.396 -1.002 12.851 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -6.462 -0.674 13.669 1.00 0.00 N flip ATOM 0 H GLN A 76 -3.668 1.528 10.658 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.065 3.878 12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.351 1.134 13.363 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.331 2.372 14.123 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.246 1.744 13.026 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.395 1.251 11.575 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.254 -0.055 13.844 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.503 -1.651 13.961 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.306 2.075 12.673 1.00 0.00 N ATOM 1201 CA VAL A 77 0.120 2.169 12.971 1.00 0.00 C ATOM 1202 C VAL A 77 0.898 0.949 12.476 1.00 0.00 C ATOM 1203 O VAL A 77 2.122 0.905 12.586 1.00 0.00 O ATOM 1204 CB VAL A 77 0.366 2.338 14.481 1.00 0.00 C ATOM 1205 CG1 VAL A 77 0.026 3.753 14.921 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -0.438 1.317 15.272 1.00 0.00 C ATOM 0 H VAL A 77 -1.662 1.122 12.604 1.00 0.00 H new ATOM 0 HA VAL A 77 0.481 3.050 12.440 1.00 0.00 H new ATOM 0 HB VAL A 77 1.423 2.164 14.680 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.206 3.854 15.991 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.651 4.463 14.379 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.023 3.958 14.708 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.251 1.453 16.337 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.500 1.455 15.070 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.140 0.311 14.976 1.00 0.00 H new ATOM 1216 N ARG A 78 0.194 -0.037 11.924 1.00 0.00 N ATOM 1217 CA ARG A 78 0.838 -1.240 11.410 1.00 0.00 C ATOM 1218 C ARG A 78 1.487 -0.965 10.064 1.00 0.00 C ATOM 1219 O ARG A 78 2.443 -1.638 9.682 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.173 -2.383 11.288 1.00 0.00 C ATOM 1221 CG ARG A 78 -0.212 -3.295 12.503 1.00 0.00 C ATOM 1222 CD ARG A 78 -1.066 -2.707 13.615 1.00 0.00 C ATOM 1223 NE ARG A 78 -1.622 -3.740 14.486 1.00 0.00 N ATOM 1224 CZ ARG A 78 -0.944 -4.322 15.474 1.00 0.00 C ATOM 1225 NH1 ARG A 78 0.316 -3.981 15.715 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -1.528 -5.248 16.222 1.00 0.00 N ATOM 0 H ARG A 78 -0.821 -0.025 11.822 1.00 0.00 H new ATOM 0 HA ARG A 78 1.614 -1.538 12.115 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.166 -1.963 11.128 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.068 -2.977 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.608 -4.269 12.215 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.802 -3.458 12.869 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.464 -2.019 14.208 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.878 -2.126 13.179 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.586 -4.033 14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.770 -3.270 15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.830 -4.430 16.473 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.496 -5.514 16.041 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.009 -5.694 16.979 1.00 0.00 H new ATOM 1240 N GLY A 79 0.968 0.035 9.352 1.00 0.00 N ATOM 1241 CA GLY A 79 1.519 0.398 8.057 1.00 0.00 C ATOM 1242 C GLY A 79 3.039 0.325 8.047 1.00 0.00 C ATOM 1243 O GLY A 79 3.624 -0.394 7.238 1.00 0.00 O ATOM 0 H GLY A 79 0.174 0.601 9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.118 -0.268 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.202 1.408 7.798 1.00 0.00 H new ATOM 1247 N PRO A 80 3.706 1.050 8.970 1.00 0.00 N ATOM 1248 CA PRO A 80 5.163 1.033 9.072 1.00 0.00 C ATOM 1249 C PRO A 80 5.674 -0.380 9.314 1.00 0.00 C ATOM 1250 O PRO A 80 6.722 -0.767 8.798 1.00 0.00 O ATOM 1251 CB PRO A 80 5.469 1.937 10.272 1.00 0.00 C ATOM 1252 CG PRO A 80 4.184 2.051 11.017 1.00 0.00 C ATOM 1253 CD PRO A 80 3.096 1.917 9.993 1.00 0.00 C ATOM 0 HA PRO A 80 5.648 1.376 8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.250 1.507 10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.823 2.915 9.947 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.103 1.273 11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.117 3.008 11.534 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.197 1.470 10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.808 2.884 9.582 1.00 0.00 H new ATOM 1261 N THR A 81 4.911 -1.162 10.083 1.00 0.00 N ATOM 1262 CA THR A 81 5.285 -2.542 10.355 1.00 0.00 C ATOM 1263 C THR A 81 5.359 -3.308 9.041 1.00 0.00 C ATOM 1264 O THR A 81 6.256 -4.125 8.829 1.00 0.00 O ATOM 1265 CB THR A 81 4.274 -3.200 11.293 1.00 0.00 C ATOM 1266 OG1 THR A 81 3.749 -2.255 12.208 1.00 0.00 O ATOM 1267 CG2 THR A 81 4.857 -4.344 12.096 1.00 0.00 C ATOM 0 H THR A 81 4.040 -0.862 10.522 1.00 0.00 H new ATOM 0 HA THR A 81 6.259 -2.558 10.843 1.00 0.00 H new ATOM 0 HB THR A 81 3.493 -3.596 10.643 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.176 -2.713 12.858 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.086 -4.766 12.741 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.224 -5.114 11.418 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.681 -3.976 12.708 1.00 0.00 H new ATOM 1275 N CYS A 82 4.418 -3.003 8.148 1.00 0.00 N ATOM 1276 CA CYS A 82 4.382 -3.626 6.836 1.00 0.00 C ATOM 1277 C CYS A 82 5.659 -3.270 6.095 1.00 0.00 C ATOM 1278 O CYS A 82 6.257 -4.106 5.418 1.00 0.00 O ATOM 1279 CB CYS A 82 3.159 -3.153 6.048 1.00 0.00 C ATOM 1280 SG CYS A 82 1.620 -3.163 6.998 1.00 0.00 S ATOM 0 H CYS A 82 3.672 -2.327 8.314 1.00 0.00 H new ATOM 0 HA CYS A 82 4.308 -4.708 6.947 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.343 -2.142 5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.037 -3.789 5.171 1.00 0.00 H new ATOM 0 HG CYS A 82 1.820 -2.604 8.154 1.00 0.00 H new ATOM 1286 N ALA A 83 6.090 -2.022 6.270 1.00 0.00 N ATOM 1287 CA ALA A 83 7.325 -1.560 5.657 1.00 0.00 C ATOM 1288 C ALA A 83 8.494 -2.320 6.262 1.00 0.00 C ATOM 1289 O ALA A 83 9.478 -2.621 5.585 1.00 0.00 O ATOM 1290 CB ALA A 83 7.492 -0.060 5.848 1.00 0.00 C ATOM 0 H ALA A 83 5.603 -1.320 6.828 1.00 0.00 H new ATOM 0 HA ALA A 83 7.291 -1.751 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.422 0.265 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.653 0.461 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.520 0.170 6.913 1.00 0.00 H new ATOM 1296 N ARG A 84 8.355 -2.663 7.545 1.00 0.00 N ATOM 1297 CA ARG A 84 9.375 -3.429 8.241 1.00 0.00 C ATOM 1298 C ARG A 84 9.537 -4.772 7.547 1.00 0.00 C ATOM 1299 O ARG A 84 10.640 -5.307 7.442 1.00 0.00 O ATOM 1300 CB ARG A 84 8.990 -3.627 9.710 1.00 0.00 C ATOM 1301 CG ARG A 84 9.987 -3.023 10.687 1.00 0.00 C ATOM 1302 CD ARG A 84 10.106 -1.519 10.502 1.00 0.00 C ATOM 1303 NE ARG A 84 10.469 -0.842 11.745 1.00 0.00 N ATOM 1304 CZ ARG A 84 9.620 -0.622 12.746 1.00 0.00 C ATOM 1305 NH1 ARG A 84 8.358 -1.026 12.654 1.00 0.00 N ATOM 1306 NH2 ARG A 84 10.031 0.001 13.841 1.00 0.00 N ATOM 0 H ARG A 84 7.546 -2.420 8.116 1.00 0.00 H new ATOM 0 HA ARG A 84 10.320 -2.887 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.010 -3.183 9.883 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.897 -4.694 9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.675 -3.242 11.708 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.963 -3.487 10.546 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.856 -1.306 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.159 -1.123 10.136 1.00 0.00 H new ATOM 0 HE ARG A 84 11.430 -0.519 11.852 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.036 -1.507 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.711 -0.855 13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.999 0.313 13.917 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.379 0.169 14.607 1.00 0.00 H new ATOM 1320 N ARG A 85 8.420 -5.295 7.043 1.00 0.00 N ATOM 1321 CA ARG A 85 8.431 -6.555 6.319 1.00 0.00 C ATOM 1322 C ARG A 85 9.148 -6.357 4.990 1.00 0.00 C ATOM 1323 O ARG A 85 9.868 -7.234 4.519 1.00 0.00 O ATOM 1324 CB ARG A 85 7.005 -7.060 6.107 1.00 0.00 C ATOM 1325 CG ARG A 85 6.268 -7.309 7.413 1.00 0.00 C ATOM 1326 CD ARG A 85 4.791 -7.587 7.189 1.00 0.00 C ATOM 1327 NE ARG A 85 4.146 -8.088 8.401 1.00 0.00 N ATOM 1328 CZ ARG A 85 2.898 -7.796 8.762 1.00 0.00 C ATOM 1329 NH1 ARG A 85 2.139 -7.019 7.998 1.00 0.00 N ATOM 1330 NH2 ARG A 85 2.405 -8.286 9.891 1.00 0.00 N ATOM 0 H ARG A 85 7.500 -4.863 7.125 1.00 0.00 H new ATOM 0 HA ARG A 85 8.963 -7.309 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.451 -6.331 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.034 -7.984 5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.722 -8.155 7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.379 -6.441 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.294 -6.673 6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.675 -8.316 6.387 1.00 0.00 H new ATOM 0 HE ARG A 85 4.687 -8.701 9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.511 -6.641 7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.184 -6.801 8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.981 -8.886 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.449 -8.063 10.169 1.00 0.00 H new ATOM 1344 N LEU A 86 8.983 -5.162 4.417 1.00 0.00 N ATOM 1345 CA LEU A 86 9.661 -4.827 3.174 1.00 0.00 C ATOM 1346 C LEU A 86 11.158 -4.966 3.412 1.00 0.00 C ATOM 1347 O LEU A 86 11.901 -5.469 2.568 1.00 0.00 O ATOM 1348 CB LEU A 86 9.317 -3.395 2.745 1.00 0.00 C ATOM 1349 CG LEU A 86 8.916 -3.232 1.278 1.00 0.00 C ATOM 1350 CD1 LEU A 86 8.092 -1.968 1.087 1.00 0.00 C ATOM 1351 CD2 LEU A 86 10.151 -3.203 0.390 1.00 0.00 C ATOM 0 H LEU A 86 8.391 -4.421 4.793 1.00 0.00 H new ATOM 0 HA LEU A 86 9.341 -5.496 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.501 -3.032 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.178 -2.757 2.942 1.00 0.00 H new ATOM 0 HG LEU A 86 8.304 -4.087 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.816 -1.869 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.190 -2.027 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.679 -1.101 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.848 -3.087 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.787 -2.366 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.704 -4.135 0.505 1.00 0.00 H new ATOM 1363 N VAL A 87 11.567 -4.549 4.611 1.00 0.00 N ATOM 1364 CA VAL A 87 12.949 -4.649 5.036 1.00 0.00 C ATOM 1365 C VAL A 87 13.345 -6.113 5.130 1.00 0.00 C ATOM 1366 O VAL A 87 14.475 -6.487 4.826 1.00 0.00 O ATOM 1367 CB VAL A 87 13.178 -3.981 6.408 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.664 -3.927 6.734 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.568 -2.588 6.438 1.00 0.00 C ATOM 0 H VAL A 87 10.946 -4.135 5.307 1.00 0.00 H new ATOM 0 HA VAL A 87 13.560 -4.131 4.297 1.00 0.00 H new ATOM 0 HB VAL A 87 12.682 -4.583 7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.806 -3.453 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.067 -4.939 6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.184 -3.350 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.741 -2.136 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.029 -1.972 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.496 -2.656 6.255 1.00 0.00 H new ATOM 1379 N ASN A 88 12.391 -6.935 5.561 1.00 0.00 N ATOM 1380 CA ASN A 88 12.615 -8.367 5.715 1.00 0.00 C ATOM 1381 C ASN A 88 13.039 -9.006 4.399 1.00 0.00 C ATOM 1382 O ASN A 88 14.051 -9.704 4.348 1.00 0.00 O ATOM 1383 CB ASN A 88 11.342 -9.043 6.264 1.00 0.00 C ATOM 1384 CG ASN A 88 10.723 -10.057 5.309 1.00 0.00 C ATOM 1385 OD1 ASN A 88 11.282 -11.131 5.081 1.00 0.00 O ATOM 1386 ND2 ASN A 88 9.565 -9.721 4.745 1.00 0.00 N ATOM 0 H ASN A 88 11.450 -6.630 5.811 1.00 0.00 H new ATOM 0 HA ASN A 88 13.428 -8.512 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.583 -9.542 7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.603 -8.275 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.108 -10.363 4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.135 -8.822 4.960 1.00 0.00 H new ATOM 1393 N TYR A 89 12.272 -8.778 3.335 1.00 0.00 N ATOM 1394 CA TYR A 89 12.623 -9.367 2.048 1.00 0.00 C ATOM 1395 C TYR A 89 13.925 -8.773 1.527 1.00 0.00 C ATOM 1396 O TYR A 89 14.860 -9.505 1.205 1.00 0.00 O ATOM 1397 CB TYR A 89 11.506 -9.193 1.026 1.00 0.00 C ATOM 1398 CG TYR A 89 11.628 -10.078 -0.212 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.858 -10.558 -0.653 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.504 -10.416 -0.954 1.00 0.00 C ATOM 1401 CE1 TYR A 89 12.957 -11.348 -1.782 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.598 -11.208 -2.087 1.00 0.00 C ATOM 1403 CZ TYR A 89 11.824 -11.673 -2.492 1.00 0.00 C ATOM 1404 OH TYR A 89 11.922 -12.462 -3.615 1.00 0.00 O ATOM 0 H TYR A 89 11.427 -8.206 3.336 1.00 0.00 H new ATOM 0 HA TYR A 89 12.763 -10.437 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 89 10.553 -9.401 1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.482 -8.150 0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.752 -10.308 -0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.536 -10.054 -0.641 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.921 -11.710 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.710 -11.458 -2.649 1.00 0.00 H new ATOM 0 HH TYR A 89 11.030 -12.598 -3.998 1.00 0.00 H new ATOM 1414 N LEU A 90 14.006 -7.442 1.460 1.00 0.00 N ATOM 1415 CA LEU A 90 15.232 -6.811 0.984 1.00 0.00 C ATOM 1416 C LEU A 90 16.411 -7.317 1.801 1.00 0.00 C ATOM 1417 O LEU A 90 17.533 -7.418 1.304 1.00 0.00 O ATOM 1418 CB LEU A 90 15.141 -5.284 1.033 1.00 0.00 C ATOM 1419 CG LEU A 90 14.719 -4.690 2.369 1.00 0.00 C ATOM 1420 CD1 LEU A 90 15.930 -4.468 3.261 1.00 0.00 C ATOM 1421 CD2 LEU A 90 13.969 -3.383 2.147 1.00 0.00 C ATOM 0 H LEU A 90 13.259 -6.799 1.722 1.00 0.00 H new ATOM 0 HA LEU A 90 15.378 -7.082 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.114 -4.872 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.434 -4.956 0.271 1.00 0.00 H new ATOM 0 HG LEU A 90 14.053 -5.393 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.609 -4.043 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 90 16.430 -5.420 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 90 16.621 -3.782 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.671 -2.966 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.617 -2.675 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.081 -3.571 1.543 1.00 0.00 H new ATOM 1433 N ASP A 91 16.136 -7.692 3.043 1.00 0.00 N ATOM 1434 CA ASP A 91 17.162 -8.251 3.902 1.00 0.00 C ATOM 1435 C ASP A 91 17.535 -9.625 3.374 1.00 0.00 C ATOM 1436 O ASP A 91 18.702 -10.017 3.379 1.00 0.00 O ATOM 1437 CB ASP A 91 16.676 -8.361 5.352 1.00 0.00 C ATOM 1438 CG ASP A 91 17.825 -8.437 6.339 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.444 -7.387 6.609 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.105 -9.546 6.841 1.00 0.00 O ATOM 0 H ASP A 91 15.214 -7.618 3.474 1.00 0.00 H new ATOM 0 HA ASP A 91 18.030 -7.592 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.052 -7.500 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.050 -9.247 5.457 1.00 0.00 H new ATOM 1445 N GLU A 92 16.521 -10.342 2.892 1.00 0.00 N ATOM 1446 CA GLU A 92 16.721 -11.665 2.330 1.00 0.00 C ATOM 1447 C GLU A 92 17.705 -11.592 1.173 1.00 0.00 C ATOM 1448 O GLU A 92 18.791 -12.167 1.241 1.00 0.00 O ATOM 1449 CB GLU A 92 15.388 -12.246 1.853 1.00 0.00 C ATOM 1450 CG GLU A 92 15.268 -13.746 2.067 1.00 0.00 C ATOM 1451 CD GLU A 92 15.787 -14.544 0.888 1.00 0.00 C ATOM 1452 OE1 GLU A 92 15.037 -14.703 -0.098 1.00 0.00 O ATOM 1453 OE2 GLU A 92 16.944 -15.010 0.950 1.00 0.00 O ATOM 0 H GLU A 92 15.552 -10.023 2.882 1.00 0.00 H new ATOM 0 HA GLU A 92 17.128 -12.318 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.574 -11.746 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.264 -12.027 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.821 -14.027 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.223 -14.002 2.243 1.00 0.00 H new ATOM 1460 N LYS A 93 17.331 -10.867 0.115 1.00 0.00 N ATOM 1461 CA LYS A 93 18.208 -10.713 -1.048 1.00 0.00 C ATOM 1462 C LYS A 93 17.506 -10.025 -2.207 1.00 0.00 C ATOM 1463 O LYS A 93 17.263 -10.626 -3.255 1.00 0.00 O ATOM 1464 CB LYS A 93 18.734 -12.062 -1.504 1.00 0.00 C ATOM 1465 CG LYS A 93 19.568 -12.003 -2.774 1.00 0.00 C ATOM 1466 CD LYS A 93 20.729 -12.982 -2.724 1.00 0.00 C ATOM 1467 CE LYS A 93 21.939 -12.377 -2.030 1.00 0.00 C ATOM 1468 NZ LYS A 93 21.709 -12.199 -0.570 1.00 0.00 N ATOM 0 H LYS A 93 16.437 -10.382 0.040 1.00 0.00 H new ATOM 0 HA LYS A 93 19.040 -10.083 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.337 -12.494 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.891 -12.733 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.938 -12.228 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.949 -10.991 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.421 -13.886 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.000 -13.279 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.806 -13.019 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.172 -11.413 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.621 -12.063 -0.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.107 -11.366 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.238 -13.044 -0.187 1.00 0.00 H new ATOM 1482 N LYS A 94 17.204 -8.762 -2.015 1.00 0.00 N ATOM 1483 CA LYS A 94 16.550 -7.970 -3.058 1.00 0.00 C ATOM 1484 C LYS A 94 17.585 -7.222 -3.902 1.00 0.00 C ATOM 1485 O LYS A 94 18.780 -7.508 -3.826 1.00 0.00 O ATOM 1486 CB LYS A 94 15.541 -6.987 -2.449 1.00 0.00 C ATOM 1487 CG LYS A 94 16.128 -5.638 -2.034 1.00 0.00 C ATOM 1488 CD LYS A 94 17.427 -5.784 -1.253 1.00 0.00 C ATOM 1489 CE LYS A 94 18.260 -4.514 -1.317 1.00 0.00 C ATOM 1490 NZ LYS A 94 19.060 -4.311 -0.077 1.00 0.00 N ATOM 0 H LYS A 94 17.396 -8.252 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 94 16.007 -8.656 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.744 -6.813 -3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.084 -7.452 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 94 16.308 -5.035 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.401 -5.100 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.203 -6.022 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.002 -6.619 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 94 18.929 -4.561 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.604 -3.657 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.614 -3.435 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.421 -4.240 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.704 -5.116 0.056 1.00 0.00 H new ATOM 1504 N GLU A 95 17.122 -6.261 -4.697 1.00 0.00 N ATOM 1505 CA GLU A 95 18.014 -5.473 -5.541 1.00 0.00 C ATOM 1506 C GLU A 95 18.069 -4.021 -5.062 1.00 0.00 C ATOM 1507 O GLU A 95 17.727 -3.725 -3.918 1.00 0.00 O ATOM 1508 CB GLU A 95 17.561 -5.541 -7.004 1.00 0.00 C ATOM 1509 CG GLU A 95 16.328 -4.707 -7.308 1.00 0.00 C ATOM 1510 CD GLU A 95 15.833 -4.894 -8.728 1.00 0.00 C ATOM 1511 OE1 GLU A 95 15.654 -6.058 -9.147 1.00 0.00 O ATOM 1512 OE2 GLU A 95 15.624 -3.877 -9.424 1.00 0.00 O ATOM 0 H GLU A 95 16.136 -6.010 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 95 19.017 -5.893 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 95 18.379 -5.208 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 95 17.357 -6.580 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.533 -4.974 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.556 -3.654 -7.143 1.00 0.00 H new ATOM 1519 N ASP A 96 18.502 -3.116 -5.937 1.00 0.00 N ATOM 1520 CA ASP A 96 18.596 -1.703 -5.585 1.00 0.00 C ATOM 1521 C ASP A 96 17.209 -1.088 -5.413 1.00 0.00 C ATOM 1522 O ASP A 96 16.750 -0.318 -6.256 1.00 0.00 O ATOM 1523 CB ASP A 96 19.382 -0.937 -6.652 1.00 0.00 C ATOM 1524 CG ASP A 96 18.862 -1.193 -8.053 1.00 0.00 C ATOM 1525 OD1 ASP A 96 19.096 -2.301 -8.580 1.00 0.00 O ATOM 1526 OD2 ASP A 96 18.224 -0.285 -8.624 1.00 0.00 O ATOM 0 H ASP A 96 18.792 -3.335 -6.890 1.00 0.00 H new ATOM 0 HA ASP A 96 19.125 -1.628 -4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 96 19.332 0.131 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 96 20.432 -1.223 -6.600 1.00 0.00 H new ATOM 1531 N THR A 97 16.547 -1.438 -4.309 1.00 0.00 N ATOM 1532 CA THR A 97 15.206 -0.932 -4.002 1.00 0.00 C ATOM 1533 C THR A 97 14.311 -0.910 -5.236 1.00 0.00 C ATOM 1534 O THR A 97 14.325 0.047 -6.010 1.00 0.00 O ATOM 1535 CB THR A 97 15.274 0.469 -3.390 1.00 0.00 C ATOM 1536 OG1 THR A 97 14.025 1.129 -3.508 1.00 0.00 O ATOM 1537 CG2 THR A 97 16.321 1.361 -4.024 1.00 0.00 C ATOM 0 H THR A 97 16.921 -2.076 -3.606 1.00 0.00 H new ATOM 0 HA THR A 97 14.769 -1.618 -3.276 1.00 0.00 H new ATOM 0 HB THR A 97 15.545 0.308 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.900 1.429 -4.432 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.310 2.337 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 97 17.305 0.908 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 97 16.102 1.481 -5.085 1.00 0.00 H new ATOM 1545 N GLY A 98 13.523 -1.963 -5.402 1.00 0.00 N ATOM 1546 CA GLY A 98 12.619 -2.037 -6.531 1.00 0.00 C ATOM 1547 C GLY A 98 11.573 -0.942 -6.501 1.00 0.00 C ATOM 1548 O GLY A 98 10.964 -0.623 -7.522 1.00 0.00 O ATOM 0 H GLY A 98 13.494 -2.767 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.190 -1.966 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.125 -3.009 -6.535 1.00 0.00 H new ATOM 1552 N ILE A 99 11.367 -0.373 -5.322 1.00 0.00 N ATOM 1553 CA ILE A 99 10.384 0.696 -5.146 1.00 0.00 C ATOM 1554 C ILE A 99 10.996 2.064 -5.392 1.00 0.00 C ATOM 1555 O ILE A 99 12.131 2.333 -4.997 1.00 0.00 O ATOM 1556 CB ILE A 99 9.744 0.712 -3.740 1.00 0.00 C ATOM 1557 CG1 ILE A 99 10.608 -0.036 -2.720 1.00 0.00 C ATOM 1558 CG2 ILE A 99 8.342 0.129 -3.785 1.00 0.00 C ATOM 1559 CD1 ILE A 99 10.058 0.009 -1.311 1.00 0.00 C ATOM 0 H ILE A 99 11.866 -0.631 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 99 9.609 0.484 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 99 9.679 1.751 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.703 -1.076 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.611 0.391 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.908 0.149 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.724 0.720 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.387 -0.900 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.721 -0.541 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.989 1.045 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.067 -0.445 -1.293 1.00 0.00 H new ATOM 1571 N LYS A 100 10.227 2.929 -6.034 1.00 0.00 N ATOM 1572 CA LYS A 100 10.678 4.283 -6.323 1.00 0.00 C ATOM 1573 C LYS A 100 10.496 5.183 -5.102 1.00 0.00 C ATOM 1574 O LYS A 100 11.408 5.918 -4.722 1.00 0.00 O ATOM 1575 CB LYS A 100 9.913 4.861 -7.516 1.00 0.00 C ATOM 1576 CG LYS A 100 10.348 6.266 -7.895 1.00 0.00 C ATOM 1577 CD LYS A 100 11.844 6.337 -8.152 1.00 0.00 C ATOM 1578 CE LYS A 100 12.250 5.458 -9.324 1.00 0.00 C ATOM 1579 NZ LYS A 100 13.632 5.757 -9.789 1.00 0.00 N ATOM 0 H LYS A 100 9.286 2.718 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 100 11.738 4.241 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.047 4.204 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.848 4.870 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.809 6.586 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.082 6.958 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.131 7.369 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.383 6.025 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.184 4.410 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.550 5.604 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.871 5.137 -10.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.689 6.750 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.303 5.593 -9.011 1.00 0.00 H new ATOM 1593 N ASN A 101 9.311 5.127 -4.495 1.00 0.00 N ATOM 1594 CA ASN A 101 9.014 5.944 -3.320 1.00 0.00 C ATOM 1595 C ASN A 101 7.946 5.294 -2.438 1.00 0.00 C ATOM 1596 O ASN A 101 6.857 4.966 -2.909 1.00 0.00 O ATOM 1597 CB ASN A 101 8.547 7.332 -3.761 1.00 0.00 C ATOM 1598 CG ASN A 101 9.236 8.447 -2.999 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.728 8.930 -1.987 1.00 0.00 O ATOM 1600 ND2 ASN A 101 10.401 8.861 -3.484 1.00 0.00 N ATOM 0 H ASN A 101 8.544 4.526 -4.797 1.00 0.00 H new ATOM 0 HA ASN A 101 9.927 6.031 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.737 7.454 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.469 7.411 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.912 9.608 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.784 8.432 -4.326 1.00 0.00 H new ATOM 1607 N ILE A 102 8.261 5.115 -1.155 1.00 0.00 N ATOM 1608 CA ILE A 102 7.319 4.511 -0.215 1.00 0.00 C ATOM 1609 C ILE A 102 6.586 5.571 0.615 1.00 0.00 C ATOM 1610 O ILE A 102 7.204 6.411 1.270 1.00 0.00 O ATOM 1611 CB ILE A 102 8.014 3.510 0.730 1.00 0.00 C ATOM 1612 CG1 ILE A 102 9.153 4.184 1.496 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.534 2.317 -0.058 1.00 0.00 C ATOM 1614 CD1 ILE A 102 9.862 3.250 2.455 1.00 0.00 C ATOM 0 H ILE A 102 9.157 5.379 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 102 6.589 3.972 -0.819 1.00 0.00 H new ATOM 0 HB ILE A 102 7.281 3.158 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.876 4.581 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.756 5.033 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.023 1.618 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.702 1.819 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.251 2.659 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.659 3.790 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.150 2.873 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.288 2.414 1.900 1.00 0.00 H new ATOM 1626 N MET A 103 5.258 5.528 0.572 1.00 0.00 N ATOM 1627 CA MET A 103 4.438 6.484 1.309 1.00 0.00 C ATOM 1628 C MET A 103 3.194 5.816 1.900 1.00 0.00 C ATOM 1629 O MET A 103 2.890 4.667 1.603 1.00 0.00 O ATOM 1630 CB MET A 103 4.031 7.643 0.399 1.00 0.00 C ATOM 1631 CG MET A 103 5.208 8.453 -0.120 1.00 0.00 C ATOM 1632 SD MET A 103 4.700 9.835 -1.161 1.00 0.00 S ATOM 1633 CE MET A 103 3.945 8.971 -2.536 1.00 0.00 C ATOM 0 H MET A 103 4.727 4.842 0.035 1.00 0.00 H new ATOM 0 HA MET A 103 5.036 6.869 2.135 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.470 7.249 -0.449 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.359 8.304 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.783 8.832 0.725 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.870 7.800 -0.688 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.872 9.642 -3.392 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.555 8.108 -2.803 1.00 0.00 H new ATOM 0 HE3 MET A 103 2.947 8.636 -2.252 1.00 0.00 H new ATOM 1643 N ILE A 104 2.479 6.556 2.741 1.00 0.00 N ATOM 1644 CA ILE A 104 1.267 6.048 3.369 1.00 0.00 C ATOM 1645 C ILE A 104 0.063 6.914 3.004 1.00 0.00 C ATOM 1646 O ILE A 104 0.177 8.127 2.832 1.00 0.00 O ATOM 1647 CB ILE A 104 1.426 5.952 4.911 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.591 4.490 5.326 1.00 0.00 C ATOM 1649 CG2 ILE A 104 0.249 6.591 5.658 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.724 4.294 6.821 1.00 0.00 C ATOM 0 H ILE A 104 2.720 7.512 3.003 1.00 0.00 H new ATOM 0 HA ILE A 104 1.095 5.041 2.989 1.00 0.00 H new ATOM 0 HB ILE A 104 2.320 6.512 5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.733 3.921 4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.473 4.079 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.407 6.498 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.178 7.645 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.676 6.084 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.837 3.232 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.599 4.835 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.832 4.674 7.319 1.00 0.00 H new ATOM 1662 N LEU A 105 -1.090 6.261 2.886 1.00 0.00 N ATOM 1663 CA LEU A 105 -2.330 6.944 2.541 1.00 0.00 C ATOM 1664 C LEU A 105 -2.849 7.756 3.722 1.00 0.00 C ATOM 1665 O LEU A 105 -2.804 7.312 4.868 1.00 0.00 O ATOM 1666 CB LEU A 105 -3.409 5.950 2.058 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.457 4.576 2.742 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -2.475 3.611 2.094 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.207 4.697 4.239 1.00 0.00 C ATOM 0 H LEU A 105 -1.190 5.255 3.025 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.109 7.625 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.383 6.423 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.266 5.790 0.989 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.460 4.170 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.528 2.645 2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.728 3.487 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.464 4.009 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.247 3.708 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.224 5.136 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.971 5.334 4.685 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.330 8.959 3.431 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.857 9.853 4.461 1.00 0.00 C ATOM 1683 C GLU A 106 -4.768 9.102 5.431 1.00 0.00 C ATOM 1684 O GLU A 106 -4.431 8.920 6.601 1.00 0.00 O ATOM 1685 CB GLU A 106 -4.634 11.005 3.819 1.00 0.00 C ATOM 1686 CG GLU A 106 -3.901 11.680 2.669 1.00 0.00 C ATOM 1687 CD GLU A 106 -4.851 12.258 1.637 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -6.053 11.920 1.679 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -4.394 13.047 0.785 1.00 0.00 O ATOM 0 H GLU A 106 -3.367 9.341 2.486 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.010 10.252 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.590 10.627 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.856 11.750 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.268 12.476 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.242 10.957 2.188 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.925 8.672 4.934 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.889 7.946 5.752 1.00 0.00 C ATOM 1698 C ARG A 107 -7.181 6.559 5.177 1.00 0.00 C ATOM 1699 O ARG A 107 -7.834 5.740 5.825 1.00 0.00 O ATOM 1700 CB ARG A 107 -8.189 8.745 5.866 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.715 8.852 7.287 1.00 0.00 C ATOM 1702 CD ARG A 107 -7.765 9.638 8.175 1.00 0.00 C ATOM 1703 NE ARG A 107 -7.752 9.132 9.545 1.00 0.00 N ATOM 1704 CZ ARG A 107 -7.104 9.721 10.547 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -6.413 10.835 10.336 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -7.145 9.194 11.763 1.00 0.00 N ATOM 0 H ARG A 107 -6.217 8.815 3.967 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.453 7.816 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.025 9.748 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.949 8.277 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.692 9.336 7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.858 7.853 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.758 9.589 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.058 10.688 8.179 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.270 8.277 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.377 11.244 9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.918 11.282 11.108 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.673 8.337 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.648 9.645 12.531 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.700 6.298 3.963 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.932 5.008 3.338 1.00 0.00 C ATOM 1722 C GLY A 108 -8.407 4.680 3.222 1.00 0.00 C ATOM 1723 O GLY A 108 -9.049 5.017 2.227 1.00 0.00 O ATOM 0 H GLY A 108 -6.156 6.955 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.482 5.002 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.434 4.231 3.918 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.947 4.027 4.246 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.358 3.660 4.257 1.00 0.00 C ATOM 1729 C PHE A 109 -10.890 3.557 5.688 1.00 0.00 C ATOM 1730 O PHE A 109 -11.924 2.934 5.929 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.576 2.341 3.500 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.311 1.101 4.313 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.305 1.077 5.265 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -11.072 -0.041 4.119 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -9.063 -0.060 6.009 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -10.834 -1.183 4.861 1.00 0.00 C ATOM 1737 CZ PHE A 109 -9.828 -1.192 5.807 1.00 0.00 C ATOM 0 H PHE A 109 -8.430 3.742 5.077 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.916 4.447 3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -11.604 2.310 3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.929 2.330 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -8.703 1.959 5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -11.860 -0.039 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -8.276 -0.065 6.749 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -11.434 -2.067 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 109 -9.640 -2.083 6.388 1.00 0.00 H new ATOM 1747 N ASN A 110 -10.184 4.178 6.632 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.601 4.157 8.029 1.00 0.00 C ATOM 1749 C ASN A 110 -11.934 4.876 8.183 1.00 0.00 C ATOM 1750 O ASN A 110 -12.857 4.367 8.816 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.539 4.813 8.915 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.018 3.873 9.984 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -7.819 3.832 10.261 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -9.920 3.109 10.591 1.00 0.00 N ATOM 0 H ASN A 110 -9.325 4.699 6.454 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.719 3.120 8.344 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.708 5.149 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.962 5.699 9.389 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.629 2.456 11.318 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.904 3.176 10.330 1.00 0.00 H new ATOM 1761 N GLY A 111 -12.028 6.054 7.580 1.00 0.00 N ATOM 1762 CA GLY A 111 -13.249 6.824 7.630 1.00 0.00 C ATOM 1763 C GLY A 111 -14.368 6.130 6.891 1.00 0.00 C ATOM 1764 O GLY A 111 -15.533 6.255 7.257 1.00 0.00 O ATOM 0 H GLY A 111 -11.271 6.490 7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.539 6.981 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.078 7.808 7.194 1.00 0.00 H new ATOM 1768 N TRP A 112 -14.012 5.391 5.843 1.00 0.00 N ATOM 1769 CA TRP A 112 -15.007 4.672 5.065 1.00 0.00 C ATOM 1770 C TRP A 112 -15.645 3.569 5.896 1.00 0.00 C ATOM 1771 O TRP A 112 -16.859 3.496 5.998 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.384 4.069 3.808 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.400 3.381 2.956 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.177 2.323 3.320 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -15.764 3.708 1.614 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -17.012 1.977 2.296 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -16.775 2.808 1.227 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -15.335 4.676 0.699 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -17.362 2.850 -0.037 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -15.919 4.715 -0.553 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -16.922 3.807 -0.910 1.00 0.00 C ATOM 0 H TRP A 112 -13.052 5.277 5.519 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.776 5.386 4.770 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -13.899 4.856 3.230 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.608 3.358 4.093 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.138 1.829 4.280 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.700 1.224 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -14.561 5.380 0.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -18.137 2.152 -0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -15.596 5.458 -1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -17.358 3.863 -1.896 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.831 2.718 6.502 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.363 1.638 7.321 1.00 0.00 C ATOM 1794 C GLU A 113 -16.112 2.206 8.520 1.00 0.00 C ATOM 1795 O GLU A 113 -17.249 1.825 8.797 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.235 0.718 7.793 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.667 -0.161 6.689 1.00 0.00 C ATOM 1798 CD GLU A 113 -13.456 -1.595 7.134 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.922 -1.799 8.244 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -13.827 -2.513 6.373 1.00 0.00 O ATOM 0 H GLU A 113 -13.813 2.752 6.444 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.057 1.055 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.433 1.325 8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -14.607 0.083 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.343 -0.146 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.717 0.254 6.352 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.457 3.117 9.225 1.00 0.00 N ATOM 1808 CA ALA A 114 -16.036 3.752 10.399 1.00 0.00 C ATOM 1809 C ALA A 114 -17.219 4.653 10.054 1.00 0.00 C ATOM 1810 O ALA A 114 -18.272 4.574 10.687 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.976 4.565 11.114 1.00 0.00 C ATOM 0 H ALA A 114 -14.514 3.435 9.001 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.408 2.957 11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.413 5.039 11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.161 3.910 11.422 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.590 5.332 10.442 1.00 0.00 H new ATOM 1817 N SER A 115 -17.032 5.537 9.074 1.00 0.00 N ATOM 1818 CA SER A 115 -18.090 6.475 8.696 1.00 0.00 C ATOM 1819 C SER A 115 -18.610 6.244 7.279 1.00 0.00 C ATOM 1820 O SER A 115 -18.888 7.195 6.548 1.00 0.00 O ATOM 1821 CB SER A 115 -17.588 7.913 8.839 1.00 0.00 C ATOM 1822 OG SER A 115 -18.548 8.727 9.491 1.00 0.00 O ATOM 0 H SER A 115 -16.171 5.624 8.534 1.00 0.00 H new ATOM 0 HA SER A 115 -18.926 6.301 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.656 7.921 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.367 8.324 7.854 1.00 0.00 H new ATOM 0 HG SER A 115 -18.202 9.640 9.571 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.756 4.984 6.902 1.00 0.00 N ATOM 1829 CA GLY A 116 -19.265 4.665 5.573 1.00 0.00 C ATOM 1830 C GLY A 116 -19.029 3.220 5.187 1.00 0.00 C ATOM 1831 O GLY A 116 -18.732 2.920 4.031 1.00 0.00 O ATOM 0 H GLY A 116 -18.534 4.176 7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.334 4.876 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.787 5.315 4.840 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.144 2.333 6.174 1.00 0.00 N ATOM 1836 CA LYS A 117 -18.927 0.894 5.988 1.00 0.00 C ATOM 1837 C LYS A 117 -19.119 0.426 4.542 1.00 0.00 C ATOM 1838 O LYS A 117 -18.193 -0.106 3.942 1.00 0.00 O ATOM 1839 CB LYS A 117 -19.858 0.094 6.900 1.00 0.00 C ATOM 1840 CG LYS A 117 -20.124 -1.313 6.391 1.00 0.00 C ATOM 1841 CD LYS A 117 -20.837 -2.162 7.430 1.00 0.00 C ATOM 1842 CE LYS A 117 -22.297 -2.379 7.066 1.00 0.00 C ATOM 1843 NZ LYS A 117 -22.781 -3.726 7.479 1.00 0.00 N ATOM 0 H LYS A 117 -19.391 2.590 7.130 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.884 0.714 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -19.420 0.037 7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.805 0.624 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -20.728 -1.264 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -19.180 -1.786 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.336 -3.126 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.772 -1.677 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -22.907 -1.612 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -22.423 -2.263 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.781 -3.833 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -22.216 -4.459 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -22.685 -3.829 8.509 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.335 0.604 3.984 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.695 0.194 2.629 1.00 0.00 C ATOM 1859 C PRO A 118 -19.508 0.006 1.681 1.00 0.00 C ATOM 1860 O PRO A 118 -19.268 0.826 0.800 1.00 0.00 O ATOM 1861 CB PRO A 118 -21.586 1.353 2.199 1.00 0.00 C ATOM 1862 CG PRO A 118 -22.285 1.787 3.459 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.495 1.229 4.630 1.00 0.00 C ATOM 0 HA PRO A 118 -21.163 -0.790 2.601 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.999 2.166 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -22.301 1.041 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.337 2.874 3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.310 1.417 3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.195 2.014 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.077 0.505 5.200 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.785 -1.100 1.870 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.632 -1.432 1.034 1.00 0.00 C ATOM 1873 C VAL A 119 -17.888 -2.743 0.292 1.00 0.00 C ATOM 1874 O VAL A 119 -18.585 -3.618 0.804 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.313 -1.519 1.854 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.548 -2.112 3.238 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -15.248 -2.311 1.105 1.00 0.00 C ATOM 0 H VAL A 119 -18.981 -1.785 2.600 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.505 -0.624 0.313 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.950 -0.500 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.603 -2.156 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -17.252 -1.487 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.957 -3.118 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.338 -2.354 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.609 -3.323 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.034 -1.823 0.154 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.335 -2.855 -0.923 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.504 -4.039 -1.779 1.00 0.00 C ATOM 1889 C CYS A 120 -18.638 -4.969 -1.332 1.00 0.00 C ATOM 1890 O CYS A 120 -19.731 -4.933 -1.894 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.203 -4.837 -1.867 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.355 -6.372 -2.812 1.00 0.00 S ATOM 0 H CYS A 120 -16.757 -2.126 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 120 -17.776 -3.650 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.435 -4.214 -2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -15.863 -5.073 -0.859 1.00 0.00 H new ATOM 0 HG CYS A 120 -16.226 -7.389 -2.012 1.00 0.00 H new ATOM 1897 N ARG A 121 -18.339 -5.834 -0.356 1.00 0.00 N ATOM 1898 CA ARG A 121 -19.290 -6.829 0.152 1.00 0.00 C ATOM 1899 C ARG A 121 -19.123 -8.127 -0.634 1.00 0.00 C ATOM 1900 O ARG A 121 -19.247 -9.224 -0.090 1.00 0.00 O ATOM 1901 CB ARG A 121 -20.743 -6.344 0.067 1.00 0.00 C ATOM 1902 CG ARG A 121 -20.973 -4.976 0.690 1.00 0.00 C ATOM 1903 CD ARG A 121 -22.415 -4.810 1.146 1.00 0.00 C ATOM 1904 NE ARG A 121 -23.206 -4.039 0.189 1.00 0.00 N ATOM 1905 CZ ARG A 121 -23.062 -2.731 -0.006 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -22.174 -2.042 0.701 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -23.810 -2.109 -0.908 1.00 0.00 N ATOM 0 H ARG A 121 -17.429 -5.864 0.104 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.072 -6.995 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.044 -6.311 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.388 -7.071 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.303 -4.844 1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.727 -4.199 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.868 -5.792 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.434 -4.313 2.116 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.909 -4.532 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.598 -2.516 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.067 -1.039 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.495 -2.634 -1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.700 -1.106 -1.058 1.00 0.00 H new ATOM 1921 N CYS A 122 -18.821 -7.977 -1.921 1.00 0.00 N ATOM 1922 CA CYS A 122 -18.605 -9.103 -2.820 1.00 0.00 C ATOM 1923 C CYS A 122 -19.908 -9.793 -3.186 1.00 0.00 C ATOM 1924 O CYS A 122 -20.972 -9.491 -2.647 1.00 0.00 O ATOM 1925 CB CYS A 122 -17.629 -10.121 -2.228 1.00 0.00 C ATOM 1926 SG CYS A 122 -16.265 -9.393 -1.286 1.00 0.00 S ATOM 0 H CYS A 122 -18.719 -7.067 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 122 -18.167 -8.690 -3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -18.181 -10.800 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -17.215 -10.722 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 122 -15.307 -9.059 -2.098 1.00 0.00 H new ATOM 1931 N ALA A 123 -19.794 -10.706 -4.136 1.00 0.00 N ATOM 1932 CA ALA A 123 -20.905 -11.466 -4.661 1.00 0.00 C ATOM 1933 C ALA A 123 -20.440 -12.040 -5.977 1.00 0.00 C ATOM 1934 O ALA A 123 -20.843 -13.127 -6.383 1.00 0.00 O ATOM 1935 CB ALA A 123 -22.133 -10.589 -4.858 1.00 0.00 C ATOM 0 H ALA A 123 -18.902 -10.942 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 123 -21.199 -12.252 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -22.951 -11.191 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -22.430 -10.158 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -21.899 -9.788 -5.560 1.00 0.00 H new ATOM 1941 N GLU A 124 -19.547 -11.269 -6.617 1.00 0.00 N ATOM 1942 CA GLU A 124 -18.942 -11.626 -7.880 1.00 0.00 C ATOM 1943 C GLU A 124 -18.466 -10.374 -8.613 1.00 0.00 C ATOM 1944 O GLU A 124 -17.332 -10.309 -9.087 1.00 0.00 O ATOM 1945 CB GLU A 124 -19.925 -12.394 -8.739 1.00 0.00 C ATOM 1946 CG GLU A 124 -19.676 -13.889 -8.734 1.00 0.00 C ATOM 1947 CD GLU A 124 -19.966 -14.537 -10.074 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -19.823 -13.852 -11.109 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -20.336 -15.730 -10.088 1.00 0.00 O ATOM 0 H GLU A 124 -19.230 -10.370 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 124 -18.081 -12.264 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -20.937 -12.199 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -19.869 -12.026 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -18.638 -14.079 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -20.297 -14.354 -7.969 1.00 0.00 H new ATOM 1956 N VAL A 125 -19.350 -9.385 -8.704 1.00 0.00 N ATOM 1957 CA VAL A 125 -19.044 -8.129 -9.383 1.00 0.00 C ATOM 1958 C VAL A 125 -18.541 -7.037 -8.425 1.00 0.00 C ATOM 1959 O VAL A 125 -17.595 -6.320 -8.749 1.00 0.00 O ATOM 1960 CB VAL A 125 -20.278 -7.593 -10.132 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -19.895 -6.422 -11.024 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -20.937 -8.699 -10.943 1.00 0.00 C ATOM 0 H VAL A 125 -20.291 -9.430 -8.313 1.00 0.00 H new ATOM 0 HA VAL A 125 -18.244 -8.361 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 125 -20.999 -7.238 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -20.780 -6.057 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -19.477 -5.621 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -19.153 -6.748 -11.753 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -21.807 -8.299 -11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -20.226 -9.090 -11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -21.251 -9.502 -10.276 1.00 0.00 H new ATOM 1972 N PRO A 126 -19.178 -6.870 -7.244 1.00 0.00 N ATOM 1973 CA PRO A 126 -18.796 -5.839 -6.270 1.00 0.00 C ATOM 1974 C PRO A 126 -17.286 -5.634 -6.134 1.00 0.00 C ATOM 1975 O PRO A 126 -16.817 -4.497 -6.079 1.00 0.00 O ATOM 1976 CB PRO A 126 -19.392 -6.370 -4.973 1.00 0.00 C ATOM 1977 CG PRO A 126 -20.635 -7.067 -5.406 1.00 0.00 C ATOM 1978 CD PRO A 126 -20.337 -7.655 -6.765 1.00 0.00 C ATOM 0 HA PRO A 126 -19.156 -4.854 -6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -18.707 -7.052 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -19.610 -5.563 -4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -20.911 -7.847 -4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.473 -6.372 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -20.100 -8.717 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -21.190 -7.560 -7.437 1.00 0.00 H new ATOM 1986 N CYS A 127 -16.525 -6.726 -6.072 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.069 -6.631 -5.937 1.00 0.00 C ATOM 1988 C CYS A 127 -14.491 -5.641 -6.949 1.00 0.00 C ATOM 1989 O CYS A 127 -14.609 -5.838 -8.158 1.00 0.00 O ATOM 1990 CB CYS A 127 -14.433 -8.011 -6.109 1.00 0.00 C ATOM 1991 SG CYS A 127 -14.885 -9.190 -4.811 1.00 0.00 S ATOM 0 H CYS A 127 -16.886 -7.679 -6.112 1.00 0.00 H new ATOM 0 HA CYS A 127 -14.839 -6.262 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -14.728 -8.419 -7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -13.349 -7.902 -6.126 1.00 0.00 H new ATOM 0 HG CYS A 127 -14.179 -8.954 -3.745 1.00 0.00 H new ATOM 1996 N LYS A 128 -13.897 -4.556 -6.446 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.345 -3.522 -7.316 1.00 0.00 C ATOM 1998 C LYS A 128 -11.859 -3.678 -7.596 1.00 0.00 C ATOM 1999 O LYS A 128 -11.438 -3.541 -8.745 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.560 -2.114 -6.725 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.972 -1.879 -6.209 1.00 0.00 C ATOM 2002 CD LYS A 128 -15.500 -0.517 -6.633 1.00 0.00 C ATOM 2003 CE LYS A 128 -16.964 -0.349 -6.258 1.00 0.00 C ATOM 2004 NZ LYS A 128 -17.837 -1.318 -6.977 1.00 0.00 N ATOM 0 H LYS A 128 -13.788 -4.374 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.887 -3.642 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -12.854 -1.960 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.333 -1.370 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -15.633 -2.660 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -14.980 -1.951 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -14.909 0.267 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -15.383 -0.399 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.081 -0.484 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.283 0.667 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.823 -0.990 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -17.532 -1.391 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.766 -2.251 -6.524 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.036 -3.811 -6.551 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.612 -3.788 -6.795 1.00 0.00 C ATOM 2020 C GLY A 129 -9.363 -2.385 -7.271 1.00 0.00 C ATOM 2021 O GLY A 129 -8.473 -2.085 -8.067 1.00 0.00 O ATOM 0 H GLY A 129 -11.322 -3.929 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.046 -4.012 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.321 -4.524 -7.544 1.00 0.00 H new