USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 933 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 70 LYS NZ :NH3+ 152:sc= 0.559 (180deg=-0.544) USER MOD Set 1.2: B 119 A O3' : rot -163:sc= 1.47 USER MOD Set 2.1: A 109 ASN : amide:sc= 0.827 K(o=1.8,f=-2.9) USER MOD Set 2.2: A 112 LYS NZ :NH3+ 158:sc= 0.957 (180deg=0) USER MOD Set 3.1: A 48 MET CE :methyl 178:sc= -0.272 (180deg=-0.152) USER MOD Set 3.2: A 90 MET CE :methyl 163:sc= -0.581 (180deg=-1.49) USER MOD Set 4.1: A 79 ASN : amide:sc= 0.169 K(o=0.51,f=1.2) USER MOD Set 4.2: A 82 SER OG : rot -80:sc= 0.337 USER MOD Set 5.1: A 43 GLN : amide:sc= 0.578 K(o=0.78,f=-0.83) USER MOD Set 5.2: A 47 GLN : amide:sc= 0.197 K(o=0.78,f=-0.83) USER MOD Set 6.1: A 35 HIS : no HE2:sc= -0.121 K(o=1.2,f=-12!) USER MOD Set 6.2: B 115 U O2' : rot 154:sc= 1.3 USER MOD Set 7.1: A 19 SER OG : rot -140:sc= -0.168 USER MOD Set 7.2: A 21 MET CE :methyl -174:sc= -0.0329 (180deg=-0.125) USER MOD Set 8.1: A 10 HIS : no HD1:sc= 1.23 K(o=1.7,f=-5.9!) USER MOD Set 8.2: A 12 SER OG : rot -82:sc= 0.51 USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0116 (180deg=-0.284) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -34:sc= 0.432 USER MOD Single : A 4 SER OG : rot 130:sc= 0.221 USER MOD Single : A 5 HIS : no HD1:sc= 0.462 K(o=0.46,f=-3!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0.317 K(o=0.32,f=-1.3) USER MOD Single : A 11 SER OG : rot 180:sc= 0.576 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.0712 K(o=0.071,f=-0.47) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 1.82 (180deg=1.03) USER MOD Single : A 30 ASN : amide:sc= 0.626 K(o=0.63,f=-7.3!) USER MOD Single : A 34 TYR OH : rot -115:sc= 1.25 USER MOD Single : A 38 GLN : amide:sc= 0.406 K(o=0.41,f=-7.8!) USER MOD Single : A 50 MET CE :methyl -116:sc= -1.02 (180deg=-1.43) USER MOD Single : A 54 ASN : amide:sc= -0.0759 X(o=-0.076,f=-0.51) USER MOD Single : A 57 SER OG : rot 100:sc=-0.00339 USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= 1.26 (180deg=1.14) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 1 (180deg=0.987) USER MOD Single : A 65 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.11) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 69 SER OG : rot 180:sc= 0.198 USER MOD Single : A 71 CYS SG : rot -30:sc= 0.906 USER MOD Single : A 76 SER OG : rot -162:sc= 0.475 USER MOD Single : A 77 TYR OH : rot 29:sc= 0.435 USER MOD Single : A 84 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.59) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 91 ASN : amide:sc=-0.00492 K(o=-0.0049,f=-1.4) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.041) USER MOD Single : A 101 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.084) USER MOD Single : A 103 GLN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= -0.0592 (180deg=-0.4) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= 1.26 (180deg=0.965) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 U O5' : rot 31:sc= 1.99 USER MOD Single : B 116 U O2' : rot -42:sc= 1.18 USER MOD Single : B 117 U O2' : rot 27:sc= 0.229 USER MOD Single : B 118 A O2' : rot 23:sc= 1.68 USER MOD Single : B 119 A O2' : rot 180:sc=0.000781 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.581 20.077 -50.469 1.00 0.00 N ATOM 2 CA MET A 1 36.267 20.822 -49.235 1.00 0.00 C ATOM 3 C MET A 1 37.214 20.430 -48.105 1.00 0.00 C ATOM 4 O MET A 1 37.061 19.364 -47.507 1.00 0.00 O ATOM 5 CB MET A 1 34.798 20.620 -48.840 1.00 0.00 C ATOM 6 CG MET A 1 34.475 21.308 -47.514 1.00 0.00 C ATOM 7 SD MET A 1 34.666 23.110 -47.530 1.00 0.00 S ATOM 8 CE MET A 1 33.348 23.554 -48.694 1.00 0.00 C ATOM 0 H1 MET A 1 35.923 20.361 -51.223 1.00 0.00 H new ATOM 0 H2 MET A 1 37.556 20.287 -50.763 1.00 0.00 H new ATOM 0 H3 MET A 1 36.485 19.057 -50.292 1.00 0.00 H new ATOM 0 HA MET A 1 36.414 21.885 -49.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 34.152 21.016 -49.623 1.00 0.00 H new ATOM 0 HB3 MET A 1 34.585 19.554 -48.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.449 21.067 -47.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 35.121 20.895 -46.739 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.157 24.625 -48.636 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.655 23.295 -49.707 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.439 23.009 -48.440 1.00 0.00 H new ATOM 20 N GLY A 2 38.197 21.286 -47.808 1.00 0.00 N ATOM 21 CA GLY A 2 39.197 21.014 -46.782 1.00 0.00 C ATOM 22 C GLY A 2 38.631 21.088 -45.363 1.00 0.00 C ATOM 23 O GLY A 2 39.293 20.666 -44.416 1.00 0.00 O ATOM 0 H GLY A 2 38.318 22.185 -48.274 1.00 0.00 H new ATOM 0 HA2 GLY A 2 39.620 20.023 -46.948 1.00 0.00 H new ATOM 0 HA3 GLY A 2 40.014 21.729 -46.879 1.00 0.00 H new ATOM 27 N SER A 3 37.414 21.617 -45.207 1.00 0.00 N ATOM 28 CA SER A 3 36.748 21.699 -43.915 1.00 0.00 C ATOM 29 C SER A 3 36.201 20.335 -43.478 1.00 0.00 C ATOM 30 O SER A 3 35.703 20.207 -42.358 1.00 0.00 O ATOM 31 CB SER A 3 35.630 22.740 -43.999 1.00 0.00 C ATOM 32 OG SER A 3 35.026 22.922 -42.733 1.00 0.00 O ATOM 0 H SER A 3 36.866 22.000 -45.978 1.00 0.00 H new ATOM 0 HA SER A 3 37.472 22.004 -43.160 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.034 23.688 -44.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.881 22.420 -44.723 1.00 0.00 H new ATOM 0 HG SER A 3 35.022 22.071 -42.247 1.00 0.00 H new ATOM 38 N SER A 4 36.297 19.326 -44.354 1.00 0.00 N ATOM 39 CA SER A 4 35.777 17.978 -44.146 1.00 0.00 C ATOM 40 C SER A 4 34.255 17.929 -43.971 1.00 0.00 C ATOM 41 O SER A 4 33.625 18.888 -43.526 1.00 0.00 O ATOM 42 CB SER A 4 36.519 17.302 -42.988 1.00 0.00 C ATOM 43 OG SER A 4 35.987 16.018 -42.730 1.00 0.00 O ATOM 0 H SER A 4 36.756 19.435 -45.258 1.00 0.00 H new ATOM 0 HA SER A 4 35.968 17.413 -45.058 1.00 0.00 H new ATOM 0 HB2 SER A 4 37.579 17.219 -43.229 1.00 0.00 H new ATOM 0 HB3 SER A 4 36.443 17.919 -42.092 1.00 0.00 H new ATOM 0 HG SER A 4 36.716 15.364 -42.692 1.00 0.00 H new ATOM 49 N HIS A 5 33.662 16.785 -44.325 1.00 0.00 N ATOM 50 CA HIS A 5 32.238 16.523 -44.150 1.00 0.00 C ATOM 51 C HIS A 5 31.954 16.073 -42.718 1.00 0.00 C ATOM 52 O HIS A 5 31.205 15.123 -42.491 1.00 0.00 O ATOM 53 CB HIS A 5 31.756 15.507 -45.192 1.00 0.00 C ATOM 54 CG HIS A 5 32.523 14.211 -45.181 1.00 0.00 C ATOM 55 ND1 HIS A 5 33.874 14.057 -45.512 1.00 0.00 N ATOM 56 CD2 HIS A 5 31.992 12.987 -44.890 1.00 0.00 C ATOM 57 CE1 HIS A 5 34.118 12.740 -45.410 1.00 0.00 C ATOM 58 NE2 HIS A 5 33.008 12.075 -45.041 1.00 0.00 N ATOM 0 H HIS A 5 34.168 16.007 -44.747 1.00 0.00 H new ATOM 0 HA HIS A 5 31.675 17.442 -44.313 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.701 15.295 -45.018 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.832 15.954 -46.183 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.973 12.777 -44.598 1.00 0.00 H new ATOM 0 HE1 HIS A 5 35.076 12.277 -45.599 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.934 11.068 -44.898 1.00 0.00 H new ATOM 66 N HIS A 6 32.570 16.763 -41.755 1.00 0.00 N ATOM 67 CA HIS A 6 32.495 16.453 -40.329 1.00 0.00 C ATOM 68 C HIS A 6 33.018 15.062 -39.985 1.00 0.00 C ATOM 69 O HIS A 6 32.756 14.559 -38.893 1.00 0.00 O ATOM 70 CB HIS A 6 31.084 16.702 -39.788 1.00 0.00 C ATOM 71 CG HIS A 6 30.608 18.107 -40.037 1.00 0.00 C ATOM 72 ND1 HIS A 6 31.147 19.255 -39.447 1.00 0.00 N ATOM 73 CD2 HIS A 6 29.570 18.457 -40.850 1.00 0.00 C ATOM 74 CE1 HIS A 6 30.415 20.277 -39.929 1.00 0.00 C ATOM 75 NE2 HIS A 6 29.469 19.828 -40.775 1.00 0.00 N ATOM 0 H HIS A 6 33.152 17.577 -41.954 1.00 0.00 H new ATOM 0 HA HIS A 6 33.170 17.141 -39.820 1.00 0.00 H new ATOM 0 HB2 HIS A 6 30.392 16.000 -40.253 1.00 0.00 H new ATOM 0 HB3 HIS A 6 31.069 16.502 -38.717 1.00 0.00 H new ATOM 0 HD2 HIS A 6 28.952 17.792 -41.435 1.00 0.00 H new ATOM 0 HE1 HIS A 6 30.566 21.315 -39.672 1.00 0.00 H new ATOM 0 HE2 HIS A 6 28.793 20.405 -41.275 1.00 0.00 H new ATOM 83 N HIS A 7 33.759 14.433 -40.903 1.00 0.00 N ATOM 84 CA HIS A 7 34.369 13.138 -40.650 1.00 0.00 C ATOM 85 C HIS A 7 35.689 13.302 -39.902 1.00 0.00 C ATOM 86 O HIS A 7 36.076 12.425 -39.129 1.00 0.00 O ATOM 87 CB HIS A 7 34.596 12.438 -41.992 1.00 0.00 C ATOM 88 CG HIS A 7 35.272 11.102 -41.854 1.00 0.00 C ATOM 89 ND1 HIS A 7 34.708 9.966 -41.268 1.00 0.00 N ATOM 90 CD2 HIS A 7 36.520 10.799 -42.315 1.00 0.00 C ATOM 91 CE1 HIS A 7 35.640 9.007 -41.388 1.00 0.00 C ATOM 92 NE2 HIS A 7 36.735 9.478 -42.008 1.00 0.00 N ATOM 0 H HIS A 7 33.948 14.809 -41.832 1.00 0.00 H new ATOM 0 HA HIS A 7 33.708 12.536 -40.026 1.00 0.00 H new ATOM 0 HB2 HIS A 7 33.637 12.303 -42.491 1.00 0.00 H new ATOM 0 HB3 HIS A 7 35.201 13.080 -42.632 1.00 0.00 H new ATOM 0 HD2 HIS A 7 37.203 11.466 -42.821 1.00 0.00 H new ATOM 0 HE1 HIS A 7 35.525 7.993 -41.034 1.00 0.00 H new ATOM 0 HE2 HIS A 7 37.580 8.946 -42.215 1.00 0.00 H new ATOM 100 N HIS A 8 36.386 14.422 -40.127 1.00 0.00 N ATOM 101 CA HIS A 8 37.635 14.716 -39.436 1.00 0.00 C ATOM 102 C HIS A 8 37.352 15.317 -38.059 1.00 0.00 C ATOM 103 O HIS A 8 38.162 15.189 -37.146 1.00 0.00 O ATOM 104 CB HIS A 8 38.437 15.699 -40.293 1.00 0.00 C ATOM 105 CG HIS A 8 39.826 15.984 -39.779 1.00 0.00 C ATOM 106 ND1 HIS A 8 40.578 17.116 -40.100 1.00 0.00 N ATOM 107 CD2 HIS A 8 40.556 15.185 -38.943 1.00 0.00 C ATOM 108 CE1 HIS A 8 41.740 16.974 -39.443 1.00 0.00 C ATOM 109 NE2 HIS A 8 41.754 15.824 -38.740 1.00 0.00 N ATOM 0 H HIS A 8 36.098 15.142 -40.790 1.00 0.00 H new ATOM 0 HA HIS A 8 38.205 13.799 -39.289 1.00 0.00 H new ATOM 0 HB2 HIS A 8 38.512 15.302 -41.306 1.00 0.00 H new ATOM 0 HB3 HIS A 8 37.887 16.638 -40.358 1.00 0.00 H new ATOM 0 HD2 HIS A 8 40.250 14.237 -38.525 1.00 0.00 H new ATOM 0 HE1 HIS A 8 42.553 17.684 -39.474 1.00 0.00 H new ATOM 0 HE2 HIS A 8 42.521 15.487 -38.158 1.00 0.00 H new ATOM 117 N HIS A 9 36.201 15.975 -37.914 1.00 0.00 N ATOM 118 CA HIS A 9 35.780 16.578 -36.659 1.00 0.00 C ATOM 119 C HIS A 9 35.057 15.557 -35.782 1.00 0.00 C ATOM 120 O HIS A 9 34.810 14.426 -36.202 1.00 0.00 O ATOM 121 CB HIS A 9 34.892 17.788 -36.958 1.00 0.00 C ATOM 122 CG HIS A 9 35.576 18.811 -37.828 1.00 0.00 C ATOM 123 ND1 HIS A 9 36.738 19.511 -37.490 1.00 0.00 N ATOM 124 CD2 HIS A 9 35.141 19.230 -39.051 1.00 0.00 C ATOM 125 CE1 HIS A 9 36.983 20.323 -38.534 1.00 0.00 C ATOM 126 NE2 HIS A 9 36.043 20.174 -39.485 1.00 0.00 N ATOM 0 H HIS A 9 35.533 16.103 -38.674 1.00 0.00 H new ATOM 0 HA HIS A 9 36.656 16.913 -36.104 1.00 0.00 H new ATOM 0 HB2 HIS A 9 33.979 17.451 -37.450 1.00 0.00 H new ATOM 0 HB3 HIS A 9 34.594 18.256 -36.020 1.00 0.00 H new ATOM 0 HD2 HIS A 9 34.261 18.888 -39.576 1.00 0.00 H new ATOM 0 HE1 HIS A 9 37.820 21.002 -38.600 1.00 0.00 H new ATOM 0 HE2 HIS A 9 36.006 20.674 -40.373 1.00 0.00 H new ATOM 134 N HIS A 10 34.715 15.955 -34.553 1.00 0.00 N ATOM 135 CA HIS A 10 33.999 15.098 -33.621 1.00 0.00 C ATOM 136 C HIS A 10 32.610 14.770 -34.176 1.00 0.00 C ATOM 137 O HIS A 10 32.052 15.538 -34.959 1.00 0.00 O ATOM 138 CB HIS A 10 33.922 15.790 -32.259 1.00 0.00 C ATOM 139 CG HIS A 10 33.358 14.915 -31.169 1.00 0.00 C ATOM 140 ND1 HIS A 10 32.002 14.640 -30.964 1.00 0.00 N ATOM 141 CD2 HIS A 10 34.092 14.284 -30.206 1.00 0.00 C ATOM 142 CE1 HIS A 10 31.960 13.839 -29.886 1.00 0.00 C ATOM 143 NE2 HIS A 10 33.197 13.609 -29.411 1.00 0.00 N ATOM 0 H HIS A 10 34.929 16.881 -34.182 1.00 0.00 H new ATOM 0 HA HIS A 10 34.529 14.154 -33.492 1.00 0.00 H new ATOM 0 HB2 HIS A 10 34.921 16.118 -31.970 1.00 0.00 H new ATOM 0 HB3 HIS A 10 33.307 16.685 -32.350 1.00 0.00 H new ATOM 0 HD2 HIS A 10 35.166 14.310 -30.091 1.00 0.00 H new ATOM 0 HE1 HIS A 10 31.055 13.434 -29.458 1.00 0.00 H new ATOM 0 HE2 HIS A 10 33.430 13.034 -28.602 1.00 0.00 H new ATOM 151 N SER A 11 32.053 13.627 -33.772 1.00 0.00 N ATOM 152 CA SER A 11 30.777 13.144 -34.282 1.00 0.00 C ATOM 153 C SER A 11 29.631 14.109 -33.975 1.00 0.00 C ATOM 154 O SER A 11 28.635 14.139 -34.696 1.00 0.00 O ATOM 155 CB SER A 11 30.511 11.762 -33.681 1.00 0.00 C ATOM 156 OG SER A 11 29.237 11.288 -34.062 1.00 0.00 O ATOM 0 H SER A 11 32.479 13.011 -33.079 1.00 0.00 H new ATOM 0 HA SER A 11 30.831 13.075 -35.368 1.00 0.00 H new ATOM 0 HB2 SER A 11 31.279 11.062 -34.012 1.00 0.00 H new ATOM 0 HB3 SER A 11 30.575 11.814 -32.594 1.00 0.00 H new ATOM 0 HG SER A 11 29.086 10.403 -33.669 1.00 0.00 H new ATOM 162 N SER A 12 29.760 14.906 -32.911 1.00 0.00 N ATOM 163 CA SER A 12 28.733 15.872 -32.537 1.00 0.00 C ATOM 164 C SER A 12 28.598 16.976 -33.583 1.00 0.00 C ATOM 165 O SER A 12 27.596 17.691 -33.596 1.00 0.00 O ATOM 166 CB SER A 12 29.069 16.467 -31.170 1.00 0.00 C ATOM 167 OG SER A 12 30.281 17.193 -31.226 1.00 0.00 O ATOM 0 H SER A 12 30.571 14.898 -32.293 1.00 0.00 H new ATOM 0 HA SER A 12 27.775 15.356 -32.483 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.261 17.122 -30.844 1.00 0.00 H new ATOM 0 HB3 SER A 12 29.150 15.670 -30.431 1.00 0.00 H new ATOM 0 HG SER A 12 31.037 16.575 -31.141 1.00 0.00 H new ATOM 173 N GLY A 13 29.596 17.125 -34.460 1.00 0.00 N ATOM 174 CA GLY A 13 29.541 18.091 -35.542 1.00 0.00 C ATOM 175 C GLY A 13 28.812 17.519 -36.756 1.00 0.00 C ATOM 176 O GLY A 13 28.300 18.272 -37.580 1.00 0.00 O ATOM 0 H GLY A 13 30.457 16.579 -34.433 1.00 0.00 H new ATOM 0 HA2 GLY A 13 29.034 18.994 -35.202 1.00 0.00 H new ATOM 0 HA3 GLY A 13 30.553 18.382 -35.825 1.00 0.00 H new ATOM 180 N LEU A 14 28.759 16.187 -36.869 1.00 0.00 N ATOM 181 CA LEU A 14 28.067 15.522 -37.961 1.00 0.00 C ATOM 182 C LEU A 14 26.572 15.407 -37.645 1.00 0.00 C ATOM 183 O LEU A 14 25.740 15.478 -38.546 1.00 0.00 O ATOM 184 CB LEU A 14 28.708 14.145 -38.170 1.00 0.00 C ATOM 185 CG LEU A 14 27.969 13.294 -39.212 1.00 0.00 C ATOM 186 CD1 LEU A 14 28.014 13.957 -40.586 1.00 0.00 C ATOM 187 CD2 LEU A 14 28.641 11.926 -39.308 1.00 0.00 C ATOM 0 H LEU A 14 29.195 15.548 -36.204 1.00 0.00 H new ATOM 0 HA LEU A 14 28.158 16.100 -38.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 29.744 14.276 -38.484 1.00 0.00 H new ATOM 0 HB3 LEU A 14 28.728 13.611 -37.220 1.00 0.00 H new ATOM 0 HG LEU A 14 26.929 13.192 -38.901 1.00 0.00 H new ATOM 0 HD11 LEU A 14 27.484 13.335 -41.307 1.00 0.00 H new ATOM 0 HD12 LEU A 14 27.539 14.937 -40.533 1.00 0.00 H new ATOM 0 HD13 LEU A 14 29.051 14.073 -40.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 28.121 11.316 -40.047 1.00 0.00 H new ATOM 0 HD22 LEU A 14 29.681 12.052 -39.609 1.00 0.00 H new ATOM 0 HD23 LEU A 14 28.601 11.432 -38.337 1.00 0.00 H new ATOM 199 N VAL A 15 26.234 15.234 -36.363 1.00 0.00 N ATOM 200 CA VAL A 15 24.852 15.168 -35.910 1.00 0.00 C ATOM 201 C VAL A 15 24.745 15.506 -34.420 1.00 0.00 C ATOM 202 O VAL A 15 25.516 14.975 -33.618 1.00 0.00 O ATOM 203 CB VAL A 15 24.257 13.790 -36.235 1.00 0.00 C ATOM 204 CG1 VAL A 15 24.856 12.679 -35.372 1.00 0.00 C ATOM 205 CG2 VAL A 15 22.745 13.796 -36.020 1.00 0.00 C ATOM 0 H VAL A 15 26.918 15.136 -35.613 1.00 0.00 H new ATOM 0 HA VAL A 15 24.268 15.917 -36.444 1.00 0.00 H new ATOM 0 HB VAL A 15 24.497 13.591 -37.279 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.402 11.725 -35.641 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.932 12.629 -35.539 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.661 12.890 -34.321 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.340 12.812 -36.255 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.526 14.040 -34.980 1.00 0.00 H new ATOM 0 HG23 VAL A 15 22.288 14.541 -36.671 1.00 0.00 H new ATOM 215 N PRO A 16 23.807 16.379 -34.030 1.00 0.00 N ATOM 216 CA PRO A 16 23.570 16.720 -32.637 1.00 0.00 C ATOM 217 C PRO A 16 22.844 15.580 -31.921 1.00 0.00 C ATOM 218 O PRO A 16 22.085 14.838 -32.541 1.00 0.00 O ATOM 219 CB PRO A 16 22.704 17.980 -32.680 1.00 0.00 C ATOM 220 CG PRO A 16 21.902 17.793 -33.967 1.00 0.00 C ATOM 221 CD PRO A 16 22.906 17.114 -34.898 1.00 0.00 C ATOM 0 HA PRO A 16 24.498 16.885 -32.089 1.00 0.00 H new ATOM 0 HB2 PRO A 16 22.056 18.056 -31.807 1.00 0.00 H new ATOM 0 HB3 PRO A 16 23.309 18.886 -32.708 1.00 0.00 H new ATOM 0 HG2 PRO A 16 21.018 17.176 -33.806 1.00 0.00 H new ATOM 0 HG3 PRO A 16 21.557 18.745 -34.370 1.00 0.00 H new ATOM 0 HD2 PRO A 16 22.403 16.446 -35.597 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.448 17.849 -35.493 1.00 0.00 H new ATOM 229 N ARG A 17 23.080 15.443 -30.613 1.00 0.00 N ATOM 230 CA ARG A 17 22.429 14.437 -29.783 1.00 0.00 C ATOM 231 C ARG A 17 22.516 14.850 -28.314 1.00 0.00 C ATOM 232 O ARG A 17 23.201 15.816 -27.981 1.00 0.00 O ATOM 233 CB ARG A 17 23.066 13.056 -30.005 1.00 0.00 C ATOM 234 CG ARG A 17 24.384 12.822 -29.253 1.00 0.00 C ATOM 235 CD ARG A 17 25.496 13.808 -29.618 1.00 0.00 C ATOM 236 NE ARG A 17 25.881 13.675 -31.028 1.00 0.00 N ATOM 237 CZ ARG A 17 26.728 12.752 -31.491 1.00 0.00 C ATOM 238 NH1 ARG A 17 27.295 11.869 -30.674 1.00 0.00 N ATOM 239 NH2 ARG A 17 27.011 12.714 -32.789 1.00 0.00 N ATOM 0 H ARG A 17 23.734 16.034 -30.100 1.00 0.00 H new ATOM 0 HA ARG A 17 21.379 14.366 -30.066 1.00 0.00 H new ATOM 0 HB2 ARG A 17 22.352 12.290 -29.703 1.00 0.00 H new ATOM 0 HB3 ARG A 17 23.245 12.922 -31.072 1.00 0.00 H new ATOM 0 HG2 ARG A 17 24.194 12.885 -28.181 1.00 0.00 H new ATOM 0 HG3 ARG A 17 24.731 11.809 -29.456 1.00 0.00 H new ATOM 0 HD2 ARG A 17 25.160 14.827 -29.424 1.00 0.00 H new ATOM 0 HD3 ARG A 17 26.364 13.632 -28.983 1.00 0.00 H new ATOM 0 HE ARG A 17 25.476 14.329 -31.697 1.00 0.00 H new ATOM 0 HH11 ARG A 17 27.085 11.890 -29.676 1.00 0.00 H new ATOM 0 HH12 ARG A 17 27.940 11.171 -31.045 1.00 0.00 H new ATOM 0 HH21 ARG A 17 26.582 13.387 -33.424 1.00 0.00 H new ATOM 0 HH22 ARG A 17 27.657 12.012 -33.150 1.00 0.00 H new ATOM 253 N GLY A 18 21.825 14.121 -27.437 1.00 0.00 N ATOM 254 CA GLY A 18 21.879 14.385 -26.009 1.00 0.00 C ATOM 255 C GLY A 18 21.392 13.191 -25.197 1.00 0.00 C ATOM 256 O GLY A 18 20.478 12.482 -25.617 1.00 0.00 O ATOM 0 H GLY A 18 21.221 13.342 -27.697 1.00 0.00 H new ATOM 0 HA2 GLY A 18 22.902 14.627 -25.722 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.268 15.257 -25.777 1.00 0.00 H new ATOM 260 N SER A 19 22.021 12.988 -24.035 1.00 0.00 N ATOM 261 CA SER A 19 21.731 11.913 -23.092 1.00 0.00 C ATOM 262 C SER A 19 21.881 10.511 -23.682 1.00 0.00 C ATOM 263 O SER A 19 21.926 10.320 -24.896 1.00 0.00 O ATOM 264 CB SER A 19 20.350 12.125 -22.468 1.00 0.00 C ATOM 265 OG SER A 19 20.072 11.111 -21.522 1.00 0.00 O ATOM 0 H SER A 19 22.776 13.595 -23.717 1.00 0.00 H new ATOM 0 HA SER A 19 22.489 11.966 -22.310 1.00 0.00 H new ATOM 0 HB2 SER A 19 20.309 13.102 -21.986 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.588 12.122 -23.247 1.00 0.00 H new ATOM 0 HG SER A 19 19.133 10.841 -21.599 1.00 0.00 H new ATOM 271 N HIS A 20 21.959 9.519 -22.794 1.00 0.00 N ATOM 272 CA HIS A 20 22.074 8.115 -23.153 1.00 0.00 C ATOM 273 C HIS A 20 20.705 7.462 -23.334 1.00 0.00 C ATOM 274 O HIS A 20 20.624 6.335 -23.815 1.00 0.00 O ATOM 275 CB HIS A 20 22.849 7.408 -22.043 1.00 0.00 C ATOM 276 CG HIS A 20 24.233 7.973 -21.840 1.00 0.00 C ATOM 277 ND1 HIS A 20 25.281 7.901 -22.765 1.00 0.00 N ATOM 278 CD2 HIS A 20 24.669 8.608 -20.715 1.00 0.00 C ATOM 279 CE1 HIS A 20 26.323 8.502 -22.164 1.00 0.00 C ATOM 280 NE2 HIS A 20 25.984 8.941 -20.940 1.00 0.00 N ATOM 0 H HIS A 20 21.943 9.678 -21.787 1.00 0.00 H new ATOM 0 HA HIS A 20 22.596 8.031 -24.106 1.00 0.00 H new ATOM 0 HB2 HIS A 20 22.290 7.486 -21.110 1.00 0.00 H new ATOM 0 HB3 HIS A 20 22.927 6.347 -22.280 1.00 0.00 H new ATOM 0 HD2 HIS A 20 24.095 8.810 -19.823 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.302 8.617 -22.606 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.596 9.435 -20.291 1.00 0.00 H new ATOM 288 N MET A 21 19.628 8.162 -22.952 1.00 0.00 N ATOM 289 CA MET A 21 18.277 7.630 -23.054 1.00 0.00 C ATOM 290 C MET A 21 17.810 7.570 -24.508 1.00 0.00 C ATOM 291 O MET A 21 18.407 8.191 -25.389 1.00 0.00 O ATOM 292 CB MET A 21 17.316 8.475 -22.215 1.00 0.00 C ATOM 293 CG MET A 21 17.711 8.451 -20.737 1.00 0.00 C ATOM 294 SD MET A 21 16.501 9.222 -19.626 1.00 0.00 S ATOM 295 CE MET A 21 16.545 10.927 -20.229 1.00 0.00 C ATOM 0 H MET A 21 19.676 9.105 -22.567 1.00 0.00 H new ATOM 0 HA MET A 21 18.283 6.611 -22.668 1.00 0.00 H new ATOM 0 HB2 MET A 21 17.317 9.503 -22.579 1.00 0.00 H new ATOM 0 HB3 MET A 21 16.300 8.098 -22.330 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.860 7.416 -20.430 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.668 8.959 -20.621 1.00 0.00 H new ATOM 0 HE1 MET A 21 15.935 11.558 -19.582 1.00 0.00 H new ATOM 0 HE2 MET A 21 17.573 11.288 -20.223 1.00 0.00 H new ATOM 0 HE3 MET A 21 16.153 10.964 -21.245 1.00 0.00 H new ATOM 305 N GLN A 22 16.737 6.816 -24.754 1.00 0.00 N ATOM 306 CA GLN A 22 16.155 6.652 -26.079 1.00 0.00 C ATOM 307 C GLN A 22 15.462 7.946 -26.508 1.00 0.00 C ATOM 308 O GLN A 22 15.006 8.715 -25.666 1.00 0.00 O ATOM 309 CB GLN A 22 15.160 5.492 -26.062 1.00 0.00 C ATOM 310 CG GLN A 22 15.695 4.274 -25.305 1.00 0.00 C ATOM 311 CD GLN A 22 17.130 3.928 -25.680 1.00 0.00 C ATOM 312 OE1 GLN A 22 17.508 3.966 -26.846 1.00 0.00 O ATOM 313 NE2 GLN A 22 17.946 3.587 -24.685 1.00 0.00 N ATOM 0 H GLN A 22 16.245 6.297 -24.027 1.00 0.00 H new ATOM 0 HA GLN A 22 16.944 6.428 -26.796 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.229 5.822 -25.601 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.924 5.205 -27.087 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.641 4.466 -24.233 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.054 3.416 -25.508 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.599 3.565 -23.726 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.918 3.347 -24.882 1.00 0.00 H new ATOM 322 N LYS A 23 15.388 8.189 -27.820 1.00 0.00 N ATOM 323 CA LYS A 23 14.776 9.397 -28.359 1.00 0.00 C ATOM 324 C LYS A 23 13.362 9.128 -28.858 1.00 0.00 C ATOM 325 O LYS A 23 13.028 8.007 -29.240 1.00 0.00 O ATOM 326 CB LYS A 23 15.643 10.016 -29.467 1.00 0.00 C ATOM 327 CG LYS A 23 16.850 10.797 -28.932 1.00 0.00 C ATOM 328 CD LYS A 23 17.845 9.904 -28.194 1.00 0.00 C ATOM 329 CE LYS A 23 19.049 10.730 -27.752 1.00 0.00 C ATOM 330 NZ LYS A 23 20.014 9.894 -27.016 1.00 0.00 N ATOM 0 H LYS A 23 15.750 7.554 -28.532 1.00 0.00 H new ATOM 0 HA LYS A 23 14.709 10.119 -27.546 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.996 9.224 -30.127 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.027 10.683 -30.070 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.356 11.290 -29.762 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.502 11.581 -28.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.366 9.449 -27.327 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.169 9.090 -28.843 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.533 11.171 -28.623 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.718 11.554 -27.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.578 10.493 -26.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.501 9.182 -26.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.645 9.416 -27.691 1.00 0.00 H new ATOM 344 N GLU A 24 12.529 10.167 -28.856 1.00 0.00 N ATOM 345 CA GLU A 24 11.130 10.064 -29.227 1.00 0.00 C ATOM 346 C GLU A 24 10.832 10.879 -30.482 1.00 0.00 C ATOM 347 O GLU A 24 11.491 11.884 -30.755 1.00 0.00 O ATOM 348 CB GLU A 24 10.262 10.559 -28.068 1.00 0.00 C ATOM 349 CG GLU A 24 10.768 10.062 -26.708 1.00 0.00 C ATOM 350 CD GLU A 24 11.861 10.949 -26.097 1.00 0.00 C ATOM 351 OE1 GLU A 24 12.265 10.635 -24.956 1.00 0.00 O ATOM 352 OE2 GLU A 24 12.286 11.924 -26.756 1.00 0.00 O ATOM 0 H GLU A 24 12.815 11.110 -28.593 1.00 0.00 H new ATOM 0 HA GLU A 24 10.903 9.020 -29.441 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.244 11.649 -28.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.236 10.223 -28.216 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.928 10.006 -26.016 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.155 9.049 -26.822 1.00 0.00 H new ATOM 359 N GLY A 25 9.828 10.441 -31.243 1.00 0.00 N ATOM 360 CA GLY A 25 9.335 11.163 -32.404 1.00 0.00 C ATOM 361 C GLY A 25 8.245 12.159 -32.013 1.00 0.00 C ATOM 362 O GLY A 25 7.908 12.276 -30.834 1.00 0.00 O ATOM 0 H GLY A 25 9.334 9.567 -31.065 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.159 11.691 -32.884 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.941 10.457 -33.134 1.00 0.00 H new ATOM 366 N PRO A 26 7.687 12.881 -32.993 1.00 0.00 N ATOM 367 CA PRO A 26 6.586 13.809 -32.795 1.00 0.00 C ATOM 368 C PRO A 26 5.307 13.050 -32.444 1.00 0.00 C ATOM 369 O PRO A 26 5.307 11.822 -32.338 1.00 0.00 O ATOM 370 CB PRO A 26 6.461 14.560 -34.123 1.00 0.00 C ATOM 371 CG PRO A 26 6.961 13.545 -35.149 1.00 0.00 C ATOM 372 CD PRO A 26 8.083 12.842 -34.391 1.00 0.00 C ATOM 0 HA PRO A 26 6.758 14.498 -31.968 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.432 14.858 -34.321 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.063 15.469 -34.130 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.176 12.851 -35.450 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.324 14.029 -36.056 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.207 11.815 -34.736 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.037 13.347 -34.544 1.00 0.00 H new ATOM 380 N GLU A 27 4.204 13.777 -32.264 1.00 0.00 N ATOM 381 CA GLU A 27 2.933 13.175 -31.892 1.00 0.00 C ATOM 382 C GLU A 27 2.503 12.123 -32.917 1.00 0.00 C ATOM 383 O GLU A 27 2.517 12.376 -34.122 1.00 0.00 O ATOM 384 CB GLU A 27 1.881 14.281 -31.755 1.00 0.00 C ATOM 385 CG GLU A 27 0.510 13.739 -31.333 1.00 0.00 C ATOM 386 CD GLU A 27 0.492 13.212 -29.899 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.579 12.710 -29.490 1.00 0.00 O ATOM 388 OE2 GLU A 27 1.536 13.308 -29.214 1.00 0.00 O ATOM 0 H GLU A 27 4.170 14.791 -32.372 1.00 0.00 H new ATOM 0 HA GLU A 27 3.040 12.663 -30.936 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.221 15.012 -31.021 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.784 14.805 -32.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.234 14.530 -31.433 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.217 12.938 -32.012 1.00 0.00 H new ATOM 395 N GLY A 28 2.121 10.938 -32.430 1.00 0.00 N ATOM 396 CA GLY A 28 1.617 9.855 -33.258 1.00 0.00 C ATOM 397 C GLY A 28 2.725 9.079 -33.976 1.00 0.00 C ATOM 398 O GLY A 28 2.426 8.157 -34.735 1.00 0.00 O ATOM 0 H GLY A 28 2.156 10.708 -31.437 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.045 9.167 -32.636 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.929 10.262 -33.999 1.00 0.00 H new ATOM 402 N ALA A 29 3.991 9.441 -33.745 1.00 0.00 N ATOM 403 CA ALA A 29 5.122 8.839 -34.435 1.00 0.00 C ATOM 404 C ALA A 29 5.839 7.767 -33.605 1.00 0.00 C ATOM 405 O ALA A 29 6.891 7.283 -34.016 1.00 0.00 O ATOM 406 CB ALA A 29 6.087 9.948 -34.842 1.00 0.00 C ATOM 0 H ALA A 29 4.254 10.161 -33.072 1.00 0.00 H new ATOM 0 HA ALA A 29 4.742 8.320 -35.315 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.942 9.514 -35.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.578 10.649 -35.504 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.432 10.475 -33.952 1.00 0.00 H new ATOM 412 N ASN A 30 5.292 7.392 -32.446 1.00 0.00 N ATOM 413 CA ASN A 30 5.924 6.427 -31.555 1.00 0.00 C ATOM 414 C ASN A 30 5.141 5.115 -31.551 1.00 0.00 C ATOM 415 O ASN A 30 3.911 5.133 -31.546 1.00 0.00 O ATOM 416 CB ASN A 30 6.040 7.025 -30.154 1.00 0.00 C ATOM 417 CG ASN A 30 6.870 8.300 -30.172 1.00 0.00 C ATOM 418 OD1 ASN A 30 8.059 8.269 -30.475 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.255 9.434 -29.853 1.00 0.00 N ATOM 0 H ASN A 30 4.401 7.750 -32.103 1.00 0.00 H new ATOM 0 HA ASN A 30 6.929 6.202 -31.911 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.045 7.240 -29.763 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.497 6.299 -29.482 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.773 10.313 -29.855 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.265 9.425 -29.606 1.00 0.00 H new ATOM 426 N LEU A 31 5.847 3.978 -31.555 1.00 0.00 N ATOM 427 CA LEU A 31 5.221 2.668 -31.682 1.00 0.00 C ATOM 428 C LEU A 31 5.609 1.704 -30.567 1.00 0.00 C ATOM 429 O LEU A 31 6.628 1.869 -29.898 1.00 0.00 O ATOM 430 CB LEU A 31 5.605 2.016 -33.013 1.00 0.00 C ATOM 431 CG LEU A 31 5.221 2.819 -34.256 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.533 1.963 -35.479 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.731 3.142 -34.275 1.00 0.00 C ATOM 0 H LEU A 31 6.863 3.946 -31.470 1.00 0.00 H new ATOM 0 HA LEU A 31 4.148 2.851 -31.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.682 1.851 -33.023 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.132 1.036 -33.071 1.00 0.00 H new ATOM 0 HG LEU A 31 5.779 3.755 -34.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.269 2.511 -36.384 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.597 1.726 -35.496 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.957 1.039 -35.433 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.494 3.713 -35.172 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.158 2.215 -34.273 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.475 3.729 -33.393 1.00 0.00 H new ATOM 445 N PHE A 32 4.760 0.693 -30.401 1.00 0.00 N ATOM 446 CA PHE A 32 4.963 -0.457 -29.542 1.00 0.00 C ATOM 447 C PHE A 32 5.019 -1.788 -30.271 1.00 0.00 C ATOM 448 O PHE A 32 4.276 -2.000 -31.226 1.00 0.00 O ATOM 449 CB PHE A 32 3.988 -0.486 -28.369 1.00 0.00 C ATOM 450 CG PHE A 32 4.445 0.336 -27.199 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.927 -0.316 -26.061 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.392 1.734 -27.248 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.381 0.424 -24.966 1.00 0.00 C ATOM 454 CE2 PHE A 32 4.857 2.478 -26.154 1.00 0.00 C ATOM 455 CZ PHE A 32 5.354 1.825 -25.016 1.00 0.00 C ATOM 0 H PHE A 32 3.866 0.658 -30.891 1.00 0.00 H new ATOM 0 HA PHE A 32 5.964 -0.319 -29.133 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.017 -0.122 -28.703 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.848 -1.518 -28.047 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.949 -1.395 -26.028 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.997 2.235 -28.120 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.751 -0.081 -24.086 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.832 3.557 -26.188 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.716 2.402 -24.178 1.00 0.00 H new ATOM 465 N ILE A 33 5.898 -2.683 -29.820 1.00 0.00 N ATOM 466 CA ILE A 33 6.051 -3.992 -30.417 1.00 0.00 C ATOM 467 C ILE A 33 6.152 -5.018 -29.296 1.00 0.00 C ATOM 468 O ILE A 33 6.911 -4.818 -28.351 1.00 0.00 O ATOM 469 CB ILE A 33 7.295 -4.033 -31.318 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.337 -2.900 -32.356 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.334 -5.374 -32.051 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.966 -1.615 -31.809 1.00 0.00 C ATOM 0 H ILE A 33 6.520 -2.512 -29.030 1.00 0.00 H new ATOM 0 HA ILE A 33 5.190 -4.220 -31.045 1.00 0.00 H new ATOM 0 HB ILE A 33 8.160 -3.903 -30.668 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.901 -3.233 -33.227 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.323 -2.687 -32.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.214 -5.412 -32.693 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.380 -6.185 -31.324 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.436 -5.482 -32.659 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.968 -0.851 -32.587 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.388 -1.262 -30.955 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.990 -1.816 -31.495 1.00 0.00 H new ATOM 484 N TYR A 34 5.397 -6.114 -29.389 1.00 0.00 N ATOM 485 CA TYR A 34 5.406 -7.160 -28.378 1.00 0.00 C ATOM 486 C TYR A 34 5.459 -8.490 -29.132 1.00 0.00 C ATOM 487 O TYR A 34 5.484 -8.529 -30.362 1.00 0.00 O ATOM 488 CB TYR A 34 4.112 -7.087 -27.563 1.00 0.00 C ATOM 489 CG TYR A 34 3.637 -5.703 -27.170 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.735 -5.011 -27.995 1.00 0.00 C ATOM 491 CD2 TYR A 34 4.074 -5.120 -25.972 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.255 -3.751 -27.614 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.621 -3.848 -25.599 1.00 0.00 C ATOM 494 CZ TYR A 34 2.698 -3.163 -26.413 1.00 0.00 C ATOM 495 OH TYR A 34 2.234 -1.937 -26.037 1.00 0.00 O ATOM 0 H TYR A 34 4.765 -6.297 -30.168 1.00 0.00 H new ATOM 0 HA TYR A 34 6.252 -7.054 -27.699 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.320 -7.569 -28.136 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.248 -7.672 -26.653 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.410 -5.452 -28.926 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.763 -5.654 -25.334 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.546 -3.231 -28.241 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.979 -3.393 -24.688 1.00 0.00 H new ATOM 0 HH TYR A 34 2.975 -1.295 -26.028 1.00 0.00 H new ATOM 505 N HIS A 35 5.475 -9.588 -28.366 1.00 0.00 N ATOM 506 CA HIS A 35 5.532 -10.960 -28.864 1.00 0.00 C ATOM 507 C HIS A 35 6.843 -11.272 -29.591 1.00 0.00 C ATOM 508 O HIS A 35 6.887 -12.183 -30.416 1.00 0.00 O ATOM 509 CB HIS A 35 4.299 -11.289 -29.714 1.00 0.00 C ATOM 510 CG HIS A 35 2.971 -11.060 -29.038 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.739 -11.401 -29.564 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.747 -10.485 -27.817 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.789 -11.055 -28.674 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.383 -10.490 -27.607 1.00 0.00 N ATOM 0 H HIS A 35 5.448 -9.539 -27.348 1.00 0.00 H new ATOM 0 HA HIS A 35 5.516 -11.618 -27.995 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.334 -10.688 -30.623 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.357 -12.334 -30.020 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.577 -11.839 -30.471 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.498 -10.099 -27.143 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.273 -11.206 -28.796 1.00 0.00 H new ATOM 523 N LEU A 36 7.905 -10.522 -29.291 1.00 0.00 N ATOM 524 CA LEU A 36 9.217 -10.737 -29.886 1.00 0.00 C ATOM 525 C LEU A 36 9.885 -11.966 -29.269 1.00 0.00 C ATOM 526 O LEU A 36 9.846 -12.138 -28.052 1.00 0.00 O ATOM 527 CB LEU A 36 10.101 -9.506 -29.660 1.00 0.00 C ATOM 528 CG LEU A 36 9.525 -8.245 -30.311 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.374 -7.043 -29.907 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.550 -8.377 -31.830 1.00 0.00 C ATOM 0 H LEU A 36 7.875 -9.748 -28.627 1.00 0.00 H new ATOM 0 HA LEU A 36 9.091 -10.901 -30.956 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.218 -9.338 -28.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.096 -9.698 -30.063 1.00 0.00 H new ATOM 0 HG LEU A 36 8.495 -8.112 -29.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.970 -6.141 -30.367 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.359 -6.935 -28.822 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.400 -7.193 -30.243 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.138 -7.474 -32.281 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.578 -8.514 -32.166 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.952 -9.238 -32.130 1.00 0.00 H new ATOM 542 N PRO A 37 10.510 -12.827 -30.086 1.00 0.00 N ATOM 543 CA PRO A 37 11.280 -13.962 -29.616 1.00 0.00 C ATOM 544 C PRO A 37 12.600 -13.491 -29.003 1.00 0.00 C ATOM 545 O PRO A 37 12.979 -12.328 -29.140 1.00 0.00 O ATOM 546 CB PRO A 37 11.493 -14.844 -30.846 1.00 0.00 C ATOM 547 CG PRO A 37 11.513 -13.829 -31.988 1.00 0.00 C ATOM 548 CD PRO A 37 10.517 -12.763 -31.537 1.00 0.00 C ATOM 0 HA PRO A 37 10.771 -14.517 -28.829 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.426 -15.404 -30.786 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.691 -15.572 -30.966 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.509 -13.411 -32.136 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.215 -14.283 -32.933 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.816 -11.774 -31.885 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.524 -12.957 -31.943 1.00 0.00 H new ATOM 556 N GLN A 38 13.306 -14.400 -28.325 1.00 0.00 N ATOM 557 CA GLN A 38 14.525 -14.079 -27.590 1.00 0.00 C ATOM 558 C GLN A 38 15.698 -13.721 -28.505 1.00 0.00 C ATOM 559 O GLN A 38 16.719 -13.233 -28.028 1.00 0.00 O ATOM 560 CB GLN A 38 14.900 -15.270 -26.703 1.00 0.00 C ATOM 561 CG GLN A 38 13.926 -15.453 -25.535 1.00 0.00 C ATOM 562 CD GLN A 38 14.055 -14.344 -24.495 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.977 -13.535 -24.535 1.00 0.00 O ATOM 564 NE2 GLN A 38 13.126 -14.294 -23.545 1.00 0.00 N ATOM 0 H GLN A 38 13.043 -15.384 -28.272 1.00 0.00 H new ATOM 0 HA GLN A 38 14.321 -13.195 -26.985 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.916 -16.178 -27.305 1.00 0.00 H new ATOM 0 HB3 GLN A 38 15.908 -15.127 -26.314 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.905 -15.474 -25.916 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.109 -16.417 -25.060 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.370 -14.979 -23.535 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.169 -13.571 -22.827 1.00 0.00 H new ATOM 573 N GLU A 39 15.569 -13.958 -29.812 1.00 0.00 N ATOM 574 CA GLU A 39 16.638 -13.668 -30.756 1.00 0.00 C ATOM 575 C GLU A 39 16.694 -12.184 -31.131 1.00 0.00 C ATOM 576 O GLU A 39 17.625 -11.764 -31.814 1.00 0.00 O ATOM 577 CB GLU A 39 16.484 -14.556 -31.993 1.00 0.00 C ATOM 578 CG GLU A 39 15.121 -14.373 -32.669 1.00 0.00 C ATOM 579 CD GLU A 39 14.957 -15.274 -33.895 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.936 -15.964 -34.260 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.841 -15.261 -34.465 1.00 0.00 O ATOM 0 H GLU A 39 14.730 -14.352 -30.237 1.00 0.00 H new ATOM 0 HA GLU A 39 17.589 -13.894 -30.274 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.275 -14.324 -32.706 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.609 -15.600 -31.707 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.330 -14.591 -31.952 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.003 -13.331 -32.967 1.00 0.00 H new ATOM 588 N PHE A 40 15.714 -11.382 -30.698 1.00 0.00 N ATOM 589 CA PHE A 40 15.707 -9.942 -30.934 1.00 0.00 C ATOM 590 C PHE A 40 16.647 -9.107 -30.067 1.00 0.00 C ATOM 591 O PHE A 40 17.058 -9.527 -28.986 1.00 0.00 O ATOM 592 CB PHE A 40 14.290 -9.369 -30.996 1.00 0.00 C ATOM 593 CG PHE A 40 13.577 -9.582 -32.316 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.353 -10.878 -32.798 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.133 -8.480 -33.064 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.692 -11.076 -34.021 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.466 -8.675 -34.281 1.00 0.00 C ATOM 598 CZ PHE A 40 12.249 -9.974 -34.762 1.00 0.00 C ATOM 0 H PHE A 40 14.905 -11.718 -30.175 1.00 0.00 H new ATOM 0 HA PHE A 40 16.148 -9.848 -31.926 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.696 -9.819 -30.201 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.336 -8.299 -30.792 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.691 -11.730 -32.226 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.306 -7.478 -32.700 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.526 -12.077 -34.390 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.119 -7.824 -34.849 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.741 -10.124 -35.703 1.00 0.00 H new ATOM 608 N GLY A 41 16.981 -7.912 -30.557 1.00 0.00 N ATOM 609 CA GLY A 41 17.824 -6.961 -29.851 1.00 0.00 C ATOM 610 C GLY A 41 17.581 -5.551 -30.379 1.00 0.00 C ATOM 611 O GLY A 41 16.835 -5.370 -31.341 1.00 0.00 O ATOM 0 H GLY A 41 16.666 -7.578 -31.468 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.612 -6.999 -28.782 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.873 -7.229 -29.978 1.00 0.00 H new ATOM 615 N ASP A 42 18.208 -4.549 -29.756 1.00 0.00 N ATOM 616 CA ASP A 42 17.982 -3.153 -30.117 1.00 0.00 C ATOM 617 C ASP A 42 18.327 -2.908 -31.584 1.00 0.00 C ATOM 618 O ASP A 42 17.664 -2.121 -32.256 1.00 0.00 O ATOM 619 CB ASP A 42 18.872 -2.263 -29.243 1.00 0.00 C ATOM 620 CG ASP A 42 18.640 -2.453 -27.749 1.00 0.00 C ATOM 621 OD1 ASP A 42 17.662 -3.141 -27.387 1.00 0.00 O ATOM 622 OD2 ASP A 42 19.448 -1.899 -26.970 1.00 0.00 O ATOM 0 H ASP A 42 18.877 -4.683 -28.998 1.00 0.00 H new ATOM 0 HA ASP A 42 16.929 -2.917 -29.960 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.917 -2.473 -29.470 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.693 -1.219 -29.501 1.00 0.00 H new ATOM 627 N GLN A 43 19.364 -3.584 -32.080 1.00 0.00 N ATOM 628 CA GLN A 43 19.806 -3.428 -33.455 1.00 0.00 C ATOM 629 C GLN A 43 18.907 -4.212 -34.408 1.00 0.00 C ATOM 630 O GLN A 43 18.670 -3.785 -35.537 1.00 0.00 O ATOM 631 CB GLN A 43 21.248 -3.927 -33.562 1.00 0.00 C ATOM 632 CG GLN A 43 21.817 -3.743 -34.971 1.00 0.00 C ATOM 633 CD GLN A 43 21.925 -2.276 -35.378 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.873 -1.378 -34.545 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.074 -2.025 -36.677 1.00 0.00 N ATOM 0 H GLN A 43 19.915 -4.250 -31.539 1.00 0.00 H new ATOM 0 HA GLN A 43 19.751 -2.376 -33.735 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.871 -3.390 -32.847 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.287 -4.982 -33.290 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.804 -4.203 -35.022 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.183 -4.268 -35.685 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.114 -2.796 -37.344 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.149 -1.062 -37.005 1.00 0.00 H new ATOM 644 N ASP A 44 18.403 -5.358 -33.955 1.00 0.00 N ATOM 645 CA ASP A 44 17.555 -6.198 -34.782 1.00 0.00 C ATOM 646 C ASP A 44 16.167 -5.624 -35.032 1.00 0.00 C ATOM 647 O ASP A 44 15.646 -5.744 -36.140 1.00 0.00 O ATOM 648 CB ASP A 44 17.495 -7.622 -34.228 1.00 0.00 C ATOM 649 CG ASP A 44 18.796 -8.399 -34.440 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.834 -9.570 -34.000 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.744 -7.831 -35.027 1.00 0.00 O ATOM 0 H ASP A 44 18.571 -5.722 -33.017 1.00 0.00 H new ATOM 0 HA ASP A 44 18.025 -6.229 -35.765 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.271 -7.583 -33.162 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.675 -8.158 -34.706 1.00 0.00 H new ATOM 656 N ILE A 45 15.561 -5.003 -34.015 1.00 0.00 N ATOM 657 CA ILE A 45 14.264 -4.365 -34.182 1.00 0.00 C ATOM 658 C ILE A 45 14.449 -3.046 -34.935 1.00 0.00 C ATOM 659 O ILE A 45 13.529 -2.587 -35.609 1.00 0.00 O ATOM 660 CB ILE A 45 13.612 -4.156 -32.811 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.142 -3.770 -32.997 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.337 -3.079 -32.003 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.411 -3.693 -31.658 1.00 0.00 C ATOM 0 H ILE A 45 15.950 -4.932 -33.075 1.00 0.00 H new ATOM 0 HA ILE A 45 13.599 -4.999 -34.768 1.00 0.00 H new ATOM 0 HB ILE A 45 13.681 -5.091 -32.255 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.079 -2.807 -33.503 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.651 -4.501 -33.640 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.847 -2.958 -31.037 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.374 -3.376 -31.849 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.307 -2.134 -32.546 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.370 -3.417 -31.827 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.453 -4.664 -31.164 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.887 -2.943 -31.026 1.00 0.00 H new ATOM 675 N LEU A 46 15.632 -2.434 -34.827 1.00 0.00 N ATOM 676 CA LEU A 46 15.943 -1.209 -35.544 1.00 0.00 C ATOM 677 C LEU A 46 15.956 -1.483 -37.044 1.00 0.00 C ATOM 678 O LEU A 46 15.258 -0.807 -37.799 1.00 0.00 O ATOM 679 CB LEU A 46 17.288 -0.675 -35.022 1.00 0.00 C ATOM 680 CG LEU A 46 17.873 0.562 -35.716 1.00 0.00 C ATOM 681 CD1 LEU A 46 18.526 0.211 -37.047 1.00 0.00 C ATOM 682 CD2 LEU A 46 16.827 1.659 -35.902 1.00 0.00 C ATOM 0 H LEU A 46 16.393 -2.777 -34.241 1.00 0.00 H new ATOM 0 HA LEU A 46 15.186 -0.444 -35.373 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.171 -0.443 -33.963 1.00 0.00 H new ATOM 0 HB3 LEU A 46 18.020 -1.479 -35.093 1.00 0.00 H new ATOM 0 HG LEU A 46 18.649 0.949 -35.055 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.927 1.115 -37.505 1.00 0.00 H new ATOM 0 HD12 LEU A 46 19.335 -0.500 -36.879 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.784 -0.233 -37.710 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.283 2.516 -36.397 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.008 1.281 -36.513 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.443 1.964 -34.929 1.00 0.00 H new ATOM 694 N GLN A 47 16.736 -2.474 -37.483 1.00 0.00 N ATOM 695 CA GLN A 47 16.839 -2.779 -38.902 1.00 0.00 C ATOM 696 C GLN A 47 15.541 -3.370 -39.444 1.00 0.00 C ATOM 697 O GLN A 47 15.282 -3.285 -40.642 1.00 0.00 O ATOM 698 CB GLN A 47 18.000 -3.744 -39.146 1.00 0.00 C ATOM 699 CG GLN A 47 19.340 -3.082 -38.807 1.00 0.00 C ATOM 700 CD GLN A 47 20.521 -3.896 -39.322 1.00 0.00 C ATOM 701 OE1 GLN A 47 21.485 -4.130 -38.601 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.458 -4.335 -40.575 1.00 0.00 N ATOM 0 H GLN A 47 17.299 -3.071 -36.878 1.00 0.00 H new ATOM 0 HA GLN A 47 17.026 -1.846 -39.433 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.868 -4.639 -38.539 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.000 -4.063 -40.188 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.371 -2.082 -39.240 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.424 -2.964 -37.727 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.642 -4.123 -41.149 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.226 -4.884 -40.962 1.00 0.00 H new ATOM 711 N MET A 48 14.720 -3.964 -38.574 1.00 0.00 N ATOM 712 CA MET A 48 13.433 -4.510 -38.982 1.00 0.00 C ATOM 713 C MET A 48 12.441 -3.383 -39.268 1.00 0.00 C ATOM 714 O MET A 48 11.517 -3.562 -40.060 1.00 0.00 O ATOM 715 CB MET A 48 12.912 -5.429 -37.878 1.00 0.00 C ATOM 716 CG MET A 48 11.680 -6.208 -38.333 1.00 0.00 C ATOM 717 SD MET A 48 12.035 -7.423 -39.632 1.00 0.00 S ATOM 718 CE MET A 48 10.393 -8.160 -39.821 1.00 0.00 C ATOM 0 H MET A 48 14.929 -4.077 -37.582 1.00 0.00 H new ATOM 0 HA MET A 48 13.553 -5.085 -39.900 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.696 -6.126 -37.583 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.664 -4.837 -36.997 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.246 -6.721 -37.475 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.930 -5.506 -38.697 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.420 -8.910 -40.612 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.096 -8.631 -38.884 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.673 -7.384 -40.081 1.00 0.00 H new ATOM 728 N PHE A 49 12.628 -2.221 -38.631 1.00 0.00 N ATOM 729 CA PHE A 49 11.749 -1.071 -38.790 1.00 0.00 C ATOM 730 C PHE A 49 12.236 0.089 -39.665 1.00 0.00 C ATOM 731 O PHE A 49 11.465 0.997 -39.967 1.00 0.00 O ATOM 732 CB PHE A 49 11.158 -0.631 -37.449 1.00 0.00 C ATOM 733 CG PHE A 49 10.026 -1.507 -36.951 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.714 -1.006 -36.919 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.279 -2.817 -36.516 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.661 -1.814 -36.480 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.227 -3.627 -36.068 1.00 0.00 C ATOM 738 CZ PHE A 49 7.915 -3.128 -36.061 1.00 0.00 C ATOM 0 H PHE A 49 13.402 -2.058 -37.987 1.00 0.00 H new ATOM 0 HA PHE A 49 10.943 -1.455 -39.415 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.951 -0.621 -36.701 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.796 0.393 -37.543 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.518 0.008 -37.235 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.288 -3.202 -36.527 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.653 -1.427 -36.464 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.425 -4.633 -35.729 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.100 -3.757 -35.733 1.00 0.00 H new ATOM 748 N MET A 50 13.509 0.076 -40.083 1.00 0.00 N ATOM 749 CA MET A 50 14.036 1.133 -40.936 1.00 0.00 C ATOM 750 C MET A 50 13.438 1.194 -42.350 1.00 0.00 C ATOM 751 O MET A 50 13.354 2.295 -42.890 1.00 0.00 O ATOM 752 CB MET A 50 15.561 1.039 -41.039 1.00 0.00 C ATOM 753 CG MET A 50 16.230 1.639 -39.802 1.00 0.00 C ATOM 754 SD MET A 50 17.967 2.098 -40.058 1.00 0.00 S ATOM 755 CE MET A 50 18.656 0.486 -40.493 1.00 0.00 C ATOM 0 H MET A 50 14.183 -0.651 -39.843 1.00 0.00 H new ATOM 0 HA MET A 50 13.734 2.055 -40.440 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.858 -0.004 -41.148 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.902 1.563 -41.932 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.672 2.523 -39.492 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.170 0.921 -38.984 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.377 0.182 -39.735 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.854 -0.250 -40.547 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.153 0.552 -41.461 1.00 0.00 H new ATOM 765 N PRO A 51 13.015 0.091 -42.992 1.00 0.00 N ATOM 766 CA PRO A 51 12.476 0.174 -44.341 1.00 0.00 C ATOM 767 C PRO A 51 11.093 0.833 -44.358 1.00 0.00 C ATOM 768 O PRO A 51 10.562 1.119 -45.429 1.00 0.00 O ATOM 769 CB PRO A 51 12.415 -1.268 -44.841 1.00 0.00 C ATOM 770 CG PRO A 51 12.201 -2.066 -43.562 1.00 0.00 C ATOM 771 CD PRO A 51 13.025 -1.288 -42.537 1.00 0.00 C ATOM 0 HA PRO A 51 13.100 0.796 -44.983 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.600 -1.415 -45.550 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.335 -1.558 -45.349 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.148 -2.111 -43.285 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.548 -3.094 -43.664 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.593 -1.375 -41.540 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.043 -1.674 -42.478 1.00 0.00 H new ATOM 779 N PHE A 52 10.508 1.077 -43.180 1.00 0.00 N ATOM 780 CA PHE A 52 9.205 1.719 -43.063 1.00 0.00 C ATOM 781 C PHE A 52 9.351 3.241 -42.992 1.00 0.00 C ATOM 782 O PHE A 52 8.361 3.954 -43.162 1.00 0.00 O ATOM 783 CB PHE A 52 8.515 1.182 -41.810 1.00 0.00 C ATOM 784 CG PHE A 52 8.376 -0.326 -41.787 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.666 -1.037 -40.613 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.965 -1.015 -42.937 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.557 -2.433 -40.591 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.872 -2.412 -42.919 1.00 0.00 C ATOM 789 CZ PHE A 52 8.164 -3.123 -41.747 1.00 0.00 C ATOM 0 H PHE A 52 10.929 0.833 -42.284 1.00 0.00 H new ATOM 0 HA PHE A 52 8.603 1.493 -43.943 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.078 1.499 -40.932 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.524 1.630 -41.732 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.974 -0.507 -39.724 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.720 -0.469 -43.836 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.775 -2.978 -39.684 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.574 -2.943 -43.811 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.087 -4.200 -41.734 1.00 0.00 H new ATOM 799 N GLY A 53 10.564 3.746 -42.741 1.00 0.00 N ATOM 800 CA GLY A 53 10.829 5.172 -42.647 1.00 0.00 C ATOM 801 C GLY A 53 12.010 5.471 -41.728 1.00 0.00 C ATOM 802 O GLY A 53 12.679 4.556 -41.251 1.00 0.00 O ATOM 0 H GLY A 53 11.391 3.166 -42.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.033 5.570 -43.641 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.941 5.683 -42.275 1.00 0.00 H new ATOM 806 N ASN A 54 12.272 6.756 -41.474 1.00 0.00 N ATOM 807 CA ASN A 54 13.390 7.167 -40.649 1.00 0.00 C ATOM 808 C ASN A 54 13.092 6.914 -39.172 1.00 0.00 C ATOM 809 O ASN A 54 12.313 7.635 -38.552 1.00 0.00 O ATOM 810 CB ASN A 54 13.694 8.644 -40.905 1.00 0.00 C ATOM 811 CG ASN A 54 14.806 9.141 -39.990 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.736 8.406 -39.673 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.713 10.394 -39.560 1.00 0.00 N ATOM 0 H ASN A 54 11.714 7.529 -41.836 1.00 0.00 H new ATOM 0 HA ASN A 54 14.268 6.577 -40.912 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.986 8.783 -41.946 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.794 9.237 -40.744 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.430 10.776 -38.944 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.924 10.974 -39.846 1.00 0.00 H new ATOM 820 N VAL A 55 13.722 5.877 -38.619 1.00 0.00 N ATOM 821 CA VAL A 55 13.607 5.532 -37.214 1.00 0.00 C ATOM 822 C VAL A 55 14.595 6.380 -36.418 1.00 0.00 C ATOM 823 O VAL A 55 15.792 6.358 -36.700 1.00 0.00 O ATOM 824 CB VAL A 55 13.899 4.035 -37.041 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.895 3.632 -35.571 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.843 3.209 -37.777 1.00 0.00 C ATOM 0 H VAL A 55 14.331 5.251 -39.145 1.00 0.00 H new ATOM 0 HA VAL A 55 12.600 5.732 -36.847 1.00 0.00 H new ATOM 0 HB VAL A 55 14.889 3.844 -37.456 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.105 2.566 -35.485 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.659 4.197 -35.037 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.918 3.845 -35.138 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.057 2.148 -37.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.857 3.432 -37.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.861 3.458 -38.838 1.00 0.00 H new ATOM 836 N ILE A 56 14.110 7.133 -35.423 1.00 0.00 N ATOM 837 CA ILE A 56 14.976 7.979 -34.613 1.00 0.00 C ATOM 838 C ILE A 56 15.643 7.156 -33.515 1.00 0.00 C ATOM 839 O ILE A 56 16.790 7.417 -33.153 1.00 0.00 O ATOM 840 CB ILE A 56 14.171 9.133 -33.993 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.468 9.942 -35.089 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.123 10.033 -33.198 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.869 11.238 -34.549 1.00 0.00 C ATOM 0 H ILE A 56 13.124 7.169 -35.165 1.00 0.00 H new ATOM 0 HA ILE A 56 15.749 8.399 -35.257 1.00 0.00 H new ATOM 0 HB ILE A 56 13.409 8.728 -33.327 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.180 10.174 -35.881 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.679 9.337 -35.537 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.561 10.855 -32.754 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.600 9.451 -32.409 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.887 10.434 -33.865 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.381 11.779 -35.360 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.137 11.006 -33.776 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.661 11.856 -34.125 1.00 0.00 H new ATOM 855 N SER A 57 14.926 6.165 -32.982 1.00 0.00 N ATOM 856 CA SER A 57 15.420 5.348 -31.887 1.00 0.00 C ATOM 857 C SER A 57 14.717 3.997 -31.873 1.00 0.00 C ATOM 858 O SER A 57 13.613 3.857 -32.397 1.00 0.00 O ATOM 859 CB SER A 57 15.193 6.094 -30.571 1.00 0.00 C ATOM 860 OG SER A 57 15.757 5.382 -29.491 1.00 0.00 O ATOM 0 H SER A 57 13.991 5.912 -33.300 1.00 0.00 H new ATOM 0 HA SER A 57 16.487 5.165 -32.017 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.637 7.088 -30.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.125 6.231 -30.404 1.00 0.00 H new ATOM 0 HG SER A 57 16.624 5.775 -29.257 1.00 0.00 H new ATOM 866 N ALA A 58 15.371 3.003 -31.266 1.00 0.00 N ATOM 867 CA ALA A 58 14.844 1.654 -31.172 1.00 0.00 C ATOM 868 C ALA A 58 15.421 0.961 -29.939 1.00 0.00 C ATOM 869 O ALA A 58 16.556 1.234 -29.546 1.00 0.00 O ATOM 870 CB ALA A 58 15.205 0.900 -32.449 1.00 0.00 C ATOM 0 H ALA A 58 16.284 3.120 -30.827 1.00 0.00 H new ATOM 0 HA ALA A 58 13.759 1.674 -31.067 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.816 -0.117 -32.394 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.769 1.410 -33.308 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.289 0.868 -32.558 1.00 0.00 H new ATOM 876 N LYS A 59 14.637 0.066 -29.330 1.00 0.00 N ATOM 877 CA LYS A 59 15.008 -0.580 -28.082 1.00 0.00 C ATOM 878 C LYS A 59 14.210 -1.864 -27.872 1.00 0.00 C ATOM 879 O LYS A 59 12.990 -1.861 -28.015 1.00 0.00 O ATOM 880 CB LYS A 59 14.738 0.417 -26.951 1.00 0.00 C ATOM 881 CG LYS A 59 14.802 -0.162 -25.537 1.00 0.00 C ATOM 882 CD LYS A 59 16.176 -0.731 -25.177 1.00 0.00 C ATOM 883 CE LYS A 59 17.283 0.305 -25.387 1.00 0.00 C ATOM 884 NZ LYS A 59 18.593 -0.230 -24.979 1.00 0.00 N ATOM 0 H LYS A 59 13.730 -0.226 -29.693 1.00 0.00 H new ATOM 0 HA LYS A 59 16.061 -0.860 -28.101 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.461 1.230 -27.026 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.751 0.854 -27.102 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.540 0.617 -24.821 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.054 -0.949 -25.440 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.175 -1.058 -24.137 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.378 -1.611 -25.788 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.317 0.598 -26.436 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.058 1.204 -24.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.160 0.529 -24.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.456 -0.993 -24.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.090 -0.604 -25.812 1.00 0.00 H new ATOM 898 N VAL A 60 14.888 -2.956 -27.528 1.00 0.00 N ATOM 899 CA VAL A 60 14.227 -4.174 -27.075 1.00 0.00 C ATOM 900 C VAL A 60 14.397 -4.199 -25.562 1.00 0.00 C ATOM 901 O VAL A 60 15.507 -4.035 -25.056 1.00 0.00 O ATOM 902 CB VAL A 60 14.864 -5.406 -27.728 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.412 -6.689 -27.030 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.445 -5.468 -29.194 1.00 0.00 C ATOM 0 H VAL A 60 15.906 -3.020 -27.556 1.00 0.00 H new ATOM 0 HA VAL A 60 13.173 -4.190 -27.351 1.00 0.00 H new ATOM 0 HB VAL A 60 15.947 -5.322 -27.642 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.878 -7.549 -27.512 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.708 -6.656 -25.981 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.328 -6.778 -27.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.895 -6.342 -29.664 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.359 -5.539 -29.259 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.781 -4.567 -29.707 1.00 0.00 H new ATOM 914 N PHE A 61 13.303 -4.396 -24.826 1.00 0.00 N ATOM 915 CA PHE A 61 13.341 -4.330 -23.377 1.00 0.00 C ATOM 916 C PHE A 61 13.994 -5.529 -22.690 1.00 0.00 C ATOM 917 O PHE A 61 13.923 -6.645 -23.206 1.00 0.00 O ATOM 918 CB PHE A 61 11.963 -3.972 -22.824 1.00 0.00 C ATOM 919 CG PHE A 61 11.561 -2.543 -23.113 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.389 -2.273 -23.834 1.00 0.00 C ATOM 921 CD2 PHE A 61 12.360 -1.483 -22.671 1.00 0.00 C ATOM 922 CE1 PHE A 61 10.015 -0.947 -24.100 1.00 0.00 C ATOM 923 CE2 PHE A 61 11.985 -0.159 -22.929 1.00 0.00 C ATOM 924 CZ PHE A 61 10.815 0.109 -23.646 1.00 0.00 C ATOM 0 H PHE A 61 12.383 -4.602 -25.215 1.00 0.00 H new ATOM 0 HA PHE A 61 14.023 -3.519 -23.122 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.220 -4.646 -23.251 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.957 -4.134 -21.746 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.773 -3.087 -24.185 1.00 0.00 H new ATOM 0 HD2 PHE A 61 13.271 -1.687 -22.128 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.111 -0.741 -24.654 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.599 0.655 -22.574 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.528 1.130 -23.850 1.00 0.00 H new ATOM 934 N ILE A 62 14.623 -5.309 -21.531 1.00 0.00 N ATOM 935 CA ILE A 62 15.369 -6.349 -20.826 1.00 0.00 C ATOM 936 C ILE A 62 14.999 -6.360 -19.343 1.00 0.00 C ATOM 937 O ILE A 62 14.598 -5.334 -18.797 1.00 0.00 O ATOM 938 CB ILE A 62 16.878 -6.115 -21.011 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.308 -6.078 -22.483 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.671 -7.195 -20.278 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.150 -7.424 -23.185 1.00 0.00 C ATOM 0 H ILE A 62 14.628 -4.405 -21.058 1.00 0.00 H new ATOM 0 HA ILE A 62 15.110 -7.322 -21.243 1.00 0.00 H new ATOM 0 HB ILE A 62 17.091 -5.133 -20.588 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.717 -5.328 -23.010 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.350 -5.763 -22.544 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.738 -7.020 -20.416 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.432 -7.163 -19.215 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.410 -8.174 -20.680 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.470 -7.333 -24.223 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.762 -8.172 -22.680 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.104 -7.730 -23.154 1.00 0.00 H new ATOM 953 N ASP A 63 15.133 -7.517 -18.683 1.00 0.00 N ATOM 954 CA ASP A 63 14.889 -7.631 -17.250 1.00 0.00 C ATOM 955 C ASP A 63 16.249 -7.760 -16.566 1.00 0.00 C ATOM 956 O ASP A 63 17.134 -8.455 -17.062 1.00 0.00 O ATOM 957 CB ASP A 63 14.065 -8.890 -16.980 1.00 0.00 C ATOM 958 CG ASP A 63 13.459 -8.875 -15.578 1.00 0.00 C ATOM 959 OD1 ASP A 63 12.860 -9.907 -15.206 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.597 -7.834 -14.901 1.00 0.00 O ATOM 0 H ASP A 63 15.412 -8.391 -19.128 1.00 0.00 H new ATOM 0 HA ASP A 63 14.347 -6.763 -16.875 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.269 -8.970 -17.720 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.697 -9.771 -17.095 1.00 0.00 H new ATOM 965 N LYS A 64 16.424 -7.090 -15.426 1.00 0.00 N ATOM 966 CA LYS A 64 17.690 -7.095 -14.700 1.00 0.00 C ATOM 967 C LYS A 64 17.866 -8.364 -13.863 1.00 0.00 C ATOM 968 O LYS A 64 18.956 -8.613 -13.351 1.00 0.00 O ATOM 969 CB LYS A 64 17.791 -5.831 -13.835 1.00 0.00 C ATOM 970 CG LYS A 64 16.987 -5.867 -12.529 1.00 0.00 C ATOM 971 CD LYS A 64 15.481 -6.078 -12.703 1.00 0.00 C ATOM 972 CE LYS A 64 14.836 -4.969 -13.528 1.00 0.00 C ATOM 973 NZ LYS A 64 13.398 -5.241 -13.710 1.00 0.00 N ATOM 0 H LYS A 64 15.694 -6.532 -14.983 1.00 0.00 H new ATOM 0 HA LYS A 64 18.503 -7.092 -15.426 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.840 -5.659 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.456 -4.978 -14.426 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.380 -6.665 -11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.148 -4.931 -11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.304 -7.039 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.006 -6.122 -11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.972 -4.009 -13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.326 -4.896 -14.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.983 -4.516 -14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.274 -6.178 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.921 -5.221 -12.786 1.00 0.00 H new ATOM 987 N GLN A 65 16.807 -9.165 -13.719 1.00 0.00 N ATOM 988 CA GLN A 65 16.842 -10.386 -12.922 1.00 0.00 C ATOM 989 C GLN A 65 17.343 -11.582 -13.725 1.00 0.00 C ATOM 990 O GLN A 65 17.838 -12.548 -13.147 1.00 0.00 O ATOM 991 CB GLN A 65 15.433 -10.705 -12.436 1.00 0.00 C ATOM 992 CG GLN A 65 14.916 -9.696 -11.408 1.00 0.00 C ATOM 993 CD GLN A 65 15.729 -9.734 -10.121 1.00 0.00 C ATOM 994 OE1 GLN A 65 15.454 -10.532 -9.228 1.00 0.00 O ATOM 995 NE2 GLN A 65 16.744 -8.879 -10.018 1.00 0.00 N ATOM 0 H GLN A 65 15.902 -8.982 -14.153 1.00 0.00 H new ATOM 0 HA GLN A 65 17.525 -10.214 -12.091 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.756 -10.726 -13.290 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.423 -11.702 -11.996 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.954 -8.693 -11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.871 -9.908 -11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.944 -8.230 -10.779 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.322 -8.873 -9.178 1.00 0.00 H new ATOM 1004 N THR A 66 17.214 -11.521 -15.053 1.00 0.00 N ATOM 1005 CA THR A 66 17.514 -12.644 -15.932 1.00 0.00 C ATOM 1006 C THR A 66 18.264 -12.268 -17.200 1.00 0.00 C ATOM 1007 O THR A 66 18.804 -13.135 -17.884 1.00 0.00 O ATOM 1008 CB THR A 66 16.256 -13.461 -16.243 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.658 -12.952 -17.414 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.222 -13.402 -15.124 1.00 0.00 C ATOM 0 H THR A 66 16.897 -10.686 -15.546 1.00 0.00 H new ATOM 0 HA THR A 66 18.205 -13.272 -15.370 1.00 0.00 H new ATOM 0 HB THR A 66 16.569 -14.499 -16.361 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.853 -13.470 -17.622 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.353 -13.999 -15.400 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.657 -13.797 -14.206 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.916 -12.368 -14.965 1.00 0.00 H new ATOM 1018 N ASN A 67 18.283 -10.966 -17.500 1.00 0.00 N ATOM 1019 CA ASN A 67 18.918 -10.411 -18.692 1.00 0.00 C ATOM 1020 C ASN A 67 18.301 -10.935 -19.992 1.00 0.00 C ATOM 1021 O ASN A 67 18.817 -10.651 -21.072 1.00 0.00 O ATOM 1022 CB ASN A 67 20.433 -10.615 -18.627 1.00 0.00 C ATOM 1023 CG ASN A 67 21.081 -9.847 -17.483 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.473 -8.962 -16.886 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.331 -10.182 -17.165 1.00 0.00 N ATOM 0 H ASN A 67 17.849 -10.258 -16.908 1.00 0.00 H new ATOM 0 HA ASN A 67 18.727 -9.338 -18.704 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.648 -11.678 -18.513 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.879 -10.299 -19.570 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.811 -9.699 -16.406 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.808 -10.922 -17.681 1.00 0.00 H new ATOM 1032 N LEU A 68 17.206 -11.691 -19.895 1.00 0.00 N ATOM 1033 CA LEU A 68 16.477 -12.164 -21.061 1.00 0.00 C ATOM 1034 C LEU A 68 15.594 -11.048 -21.603 1.00 0.00 C ATOM 1035 O LEU A 68 15.322 -10.069 -20.906 1.00 0.00 O ATOM 1036 CB LEU A 68 15.632 -13.385 -20.689 1.00 0.00 C ATOM 1037 CG LEU A 68 16.486 -14.559 -20.203 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.571 -15.715 -19.815 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.438 -15.027 -21.305 1.00 0.00 C ATOM 0 H LEU A 68 16.805 -11.989 -19.006 1.00 0.00 H new ATOM 0 HA LEU A 68 17.186 -12.457 -21.835 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.922 -13.108 -19.910 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.049 -13.697 -21.555 1.00 0.00 H new ATOM 0 HG LEU A 68 17.073 -14.233 -19.344 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.173 -16.555 -19.468 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.900 -15.396 -19.018 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.985 -16.022 -20.681 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.036 -15.862 -20.939 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.861 -15.347 -22.173 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.097 -14.206 -21.590 1.00 0.00 H new ATOM 1051 N SER A 69 15.139 -11.191 -22.851 1.00 0.00 N ATOM 1052 CA SER A 69 14.270 -10.201 -23.462 1.00 0.00 C ATOM 1053 C SER A 69 12.909 -10.192 -22.778 1.00 0.00 C ATOM 1054 O SER A 69 12.380 -11.241 -22.409 1.00 0.00 O ATOM 1055 CB SER A 69 14.115 -10.485 -24.956 1.00 0.00 C ATOM 1056 OG SER A 69 13.198 -9.573 -25.520 1.00 0.00 O ATOM 0 H SER A 69 15.362 -11.985 -23.452 1.00 0.00 H new ATOM 0 HA SER A 69 14.723 -9.217 -23.339 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.081 -10.400 -25.454 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.767 -11.507 -25.108 1.00 0.00 H new ATOM 0 HG SER A 69 13.102 -9.756 -26.478 1.00 0.00 H new ATOM 1062 N LYS A 70 12.341 -8.994 -22.615 1.00 0.00 N ATOM 1063 CA LYS A 70 10.989 -8.811 -22.106 1.00 0.00 C ATOM 1064 C LYS A 70 9.942 -9.201 -23.151 1.00 0.00 C ATOM 1065 O LYS A 70 8.753 -8.997 -22.927 1.00 0.00 O ATOM 1066 CB LYS A 70 10.797 -7.350 -21.701 1.00 0.00 C ATOM 1067 CG LYS A 70 11.625 -6.944 -20.484 1.00 0.00 C ATOM 1068 CD LYS A 70 11.031 -7.571 -19.221 1.00 0.00 C ATOM 1069 CE LYS A 70 11.510 -6.823 -17.976 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.996 -5.438 -17.939 1.00 0.00 N ATOM 0 H LYS A 70 12.816 -8.119 -22.836 1.00 0.00 H new ATOM 0 HA LYS A 70 10.855 -9.460 -21.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.063 -6.710 -22.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.742 -7.175 -21.488 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.658 -7.268 -20.611 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.641 -5.858 -20.389 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.943 -7.545 -19.272 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.322 -8.620 -19.157 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.184 -7.356 -17.083 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.600 -6.807 -17.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.915 -5.124 -16.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.651 -4.811 -18.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.060 -5.403 -18.391 1.00 0.00 H new ATOM 1084 N CYS A 71 10.398 -9.758 -24.279 1.00 0.00 N ATOM 1085 CA CYS A 71 9.601 -10.155 -25.434 1.00 0.00 C ATOM 1086 C CYS A 71 8.814 -8.988 -26.038 1.00 0.00 C ATOM 1087 O CYS A 71 7.828 -9.211 -26.741 1.00 0.00 O ATOM 1088 CB CYS A 71 8.749 -11.402 -25.142 1.00 0.00 C ATOM 1089 SG CYS A 71 7.246 -11.024 -24.200 1.00 0.00 S ATOM 0 H CYS A 71 11.390 -9.953 -24.413 1.00 0.00 H new ATOM 0 HA CYS A 71 10.297 -10.453 -26.218 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.472 -11.876 -26.084 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.348 -12.124 -24.587 1.00 0.00 H new ATOM 0 HG CYS A 71 7.463 -9.999 -23.430 1.00 0.00 H new ATOM 1095 N PHE A 72 9.229 -7.745 -25.774 1.00 0.00 N ATOM 1096 CA PHE A 72 8.580 -6.586 -26.373 1.00 0.00 C ATOM 1097 C PHE A 72 9.624 -5.468 -26.356 1.00 0.00 C ATOM 1098 O PHE A 72 10.682 -5.592 -25.736 1.00 0.00 O ATOM 1099 CB PHE A 72 7.357 -6.210 -25.529 1.00 0.00 C ATOM 1100 CG PHE A 72 7.576 -5.248 -24.383 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.055 -3.949 -24.462 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.276 -5.651 -23.238 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.214 -3.061 -23.392 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.439 -4.763 -22.166 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.901 -3.471 -22.240 1.00 0.00 C ATOM 0 H PHE A 72 10.007 -7.521 -25.153 1.00 0.00 H new ATOM 0 HA PHE A 72 8.235 -6.775 -27.390 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.608 -5.779 -26.193 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.932 -7.128 -25.123 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.530 -3.633 -25.351 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.690 -6.647 -23.182 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.808 -2.062 -23.453 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.979 -5.074 -21.284 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.016 -2.790 -21.409 1.00 0.00 H new ATOM 1115 N GLY A 73 9.320 -4.368 -27.045 1.00 0.00 N ATOM 1116 CA GLY A 73 10.243 -3.262 -27.211 1.00 0.00 C ATOM 1117 C GLY A 73 9.541 -1.979 -27.650 1.00 0.00 C ATOM 1118 O GLY A 73 8.313 -1.889 -27.659 1.00 0.00 O ATOM 0 H GLY A 73 8.420 -4.225 -27.503 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.765 -3.084 -26.271 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.999 -3.530 -27.949 1.00 0.00 H new ATOM 1122 N PHE A 74 10.362 -0.993 -28.013 1.00 0.00 N ATOM 1123 CA PHE A 74 9.957 0.349 -28.396 1.00 0.00 C ATOM 1124 C PHE A 74 10.695 0.924 -29.608 1.00 0.00 C ATOM 1125 O PHE A 74 11.897 0.705 -29.755 1.00 0.00 O ATOM 1126 CB PHE A 74 9.932 1.260 -27.163 1.00 0.00 C ATOM 1127 CG PHE A 74 10.154 2.726 -27.448 1.00 0.00 C ATOM 1128 CD1 PHE A 74 9.213 3.463 -28.180 1.00 0.00 C ATOM 1129 CD2 PHE A 74 11.319 3.347 -26.975 1.00 0.00 C ATOM 1130 CE1 PHE A 74 9.459 4.808 -28.484 1.00 0.00 C ATOM 1131 CE2 PHE A 74 11.566 4.692 -27.286 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.640 5.422 -28.046 1.00 0.00 C ATOM 0 H PHE A 74 11.373 -1.120 -28.048 1.00 0.00 H new ATOM 0 HA PHE A 74 8.937 0.286 -28.774 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.970 1.144 -26.664 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.697 0.921 -26.464 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.298 2.994 -28.510 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.023 2.792 -26.373 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.738 5.372 -29.057 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.472 5.167 -26.939 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.837 6.455 -28.293 1.00 0.00 H new ATOM 1142 N VAL A 75 9.983 1.656 -30.474 1.00 0.00 N ATOM 1143 CA VAL A 75 10.542 2.239 -31.692 1.00 0.00 C ATOM 1144 C VAL A 75 9.865 3.589 -31.948 1.00 0.00 C ATOM 1145 O VAL A 75 8.719 3.789 -31.546 1.00 0.00 O ATOM 1146 CB VAL A 75 10.338 1.278 -32.875 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.818 1.894 -34.189 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.088 -0.041 -32.675 1.00 0.00 C ATOM 0 H VAL A 75 8.992 1.860 -30.344 1.00 0.00 H new ATOM 0 HA VAL A 75 11.614 2.399 -31.577 1.00 0.00 H new ATOM 0 HB VAL A 75 9.266 1.088 -32.921 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.658 1.186 -35.002 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.259 2.808 -34.388 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.880 2.127 -34.115 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.917 -0.691 -33.533 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.155 0.158 -32.578 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.727 -0.532 -31.771 1.00 0.00 H new ATOM 1158 N SER A 76 10.558 4.519 -32.612 1.00 0.00 N ATOM 1159 CA SER A 76 10.025 5.850 -32.881 1.00 0.00 C ATOM 1160 C SER A 76 10.451 6.370 -34.249 1.00 0.00 C ATOM 1161 O SER A 76 11.526 6.037 -34.745 1.00 0.00 O ATOM 1162 CB SER A 76 10.478 6.805 -31.775 1.00 0.00 C ATOM 1163 OG SER A 76 11.886 6.923 -31.783 1.00 0.00 O ATOM 0 H SER A 76 11.499 4.368 -32.975 1.00 0.00 H new ATOM 0 HA SER A 76 8.937 5.789 -32.892 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.022 7.784 -31.920 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.141 6.437 -30.806 1.00 0.00 H new ATOM 0 HG SER A 76 12.189 7.284 -30.924 1.00 0.00 H new ATOM 1169 N TYR A 77 9.594 7.198 -34.856 1.00 0.00 N ATOM 1170 CA TYR A 77 9.819 7.787 -36.170 1.00 0.00 C ATOM 1171 C TYR A 77 9.980 9.303 -36.212 1.00 0.00 C ATOM 1172 O TYR A 77 9.612 9.991 -35.266 1.00 0.00 O ATOM 1173 CB TYR A 77 8.739 7.323 -37.149 1.00 0.00 C ATOM 1174 CG TYR A 77 8.878 5.884 -37.559 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.635 5.543 -38.690 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.248 4.889 -36.801 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.771 4.200 -39.062 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.378 3.544 -37.168 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.142 3.196 -38.296 1.00 0.00 C ATOM 1180 OH TYR A 77 9.265 1.886 -38.638 1.00 0.00 O ATOM 0 H TYR A 77 8.709 7.480 -34.435 1.00 0.00 H new ATOM 0 HA TYR A 77 10.798 7.415 -36.474 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.760 7.469 -36.693 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.773 7.951 -38.039 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.113 6.316 -39.273 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.663 5.159 -35.934 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.355 3.934 -39.931 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.892 2.775 -36.586 1.00 0.00 H new ATOM 0 HH TYR A 77 10.121 1.746 -39.094 1.00 0.00 H new ATOM 1190 N ASP A 78 10.532 9.829 -37.308 1.00 0.00 N ATOM 1191 CA ASP A 78 10.626 11.269 -37.514 1.00 0.00 C ATOM 1192 C ASP A 78 9.306 11.896 -37.971 1.00 0.00 C ATOM 1193 O ASP A 78 9.150 13.115 -38.000 1.00 0.00 O ATOM 1194 CB ASP A 78 11.815 11.569 -38.432 1.00 0.00 C ATOM 1195 CG ASP A 78 11.909 13.025 -38.884 1.00 0.00 C ATOM 1196 OD1 ASP A 78 11.779 13.918 -38.015 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.114 13.236 -40.102 1.00 0.00 O ATOM 0 H ASP A 78 10.922 9.272 -38.068 1.00 0.00 H new ATOM 0 HA ASP A 78 10.816 11.753 -36.556 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.736 11.302 -37.913 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.749 10.931 -39.313 1.00 0.00 H new ATOM 1202 N ASN A 79 8.342 11.048 -38.335 1.00 0.00 N ATOM 1203 CA ASN A 79 7.004 11.469 -38.720 1.00 0.00 C ATOM 1204 C ASN A 79 5.998 10.342 -38.501 1.00 0.00 C ATOM 1205 O ASN A 79 6.362 9.169 -38.593 1.00 0.00 O ATOM 1206 CB ASN A 79 6.981 11.965 -40.173 1.00 0.00 C ATOM 1207 CG ASN A 79 7.732 11.077 -41.165 1.00 0.00 C ATOM 1208 OD1 ASN A 79 8.239 11.566 -42.171 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.819 9.776 -40.908 1.00 0.00 N ATOM 0 H ASN A 79 8.476 10.037 -38.369 1.00 0.00 H new ATOM 0 HA ASN A 79 6.713 12.304 -38.083 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.944 12.051 -40.497 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.409 12.967 -40.207 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.315 9.161 -41.553 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.390 9.393 -40.066 1.00 0.00 H new ATOM 1216 N PRO A 80 4.734 10.677 -38.212 1.00 0.00 N ATOM 1217 CA PRO A 80 3.694 9.703 -37.940 1.00 0.00 C ATOM 1218 C PRO A 80 3.314 8.908 -39.185 1.00 0.00 C ATOM 1219 O PRO A 80 2.751 7.821 -39.065 1.00 0.00 O ATOM 1220 CB PRO A 80 2.512 10.526 -37.419 1.00 0.00 C ATOM 1221 CG PRO A 80 2.705 11.884 -38.089 1.00 0.00 C ATOM 1222 CD PRO A 80 4.223 12.031 -38.118 1.00 0.00 C ATOM 0 HA PRO A 80 4.024 8.956 -37.219 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.557 10.076 -37.691 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.527 10.608 -36.332 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.277 11.906 -39.091 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.231 12.686 -37.523 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.544 12.633 -38.968 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.588 12.528 -37.219 1.00 0.00 H new ATOM 1230 N VAL A 81 3.608 9.423 -40.383 1.00 0.00 N ATOM 1231 CA VAL A 81 3.262 8.736 -41.621 1.00 0.00 C ATOM 1232 C VAL A 81 3.973 7.390 -41.719 1.00 0.00 C ATOM 1233 O VAL A 81 3.366 6.379 -42.069 1.00 0.00 O ATOM 1234 CB VAL A 81 3.605 9.617 -42.829 1.00 0.00 C ATOM 1235 CG1 VAL A 81 3.093 8.977 -44.116 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.999 11.012 -42.674 1.00 0.00 C ATOM 0 H VAL A 81 4.085 10.314 -40.517 1.00 0.00 H new ATOM 0 HA VAL A 81 2.189 8.547 -41.618 1.00 0.00 H new ATOM 0 HB VAL A 81 4.690 9.709 -42.881 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.344 9.614 -44.964 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.558 8.000 -44.246 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.011 8.859 -44.058 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.256 11.619 -43.542 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.915 10.931 -42.595 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.394 11.482 -41.773 1.00 0.00 H new ATOM 1246 N SER A 82 5.269 7.383 -41.399 1.00 0.00 N ATOM 1247 CA SER A 82 6.066 6.165 -41.411 1.00 0.00 C ATOM 1248 C SER A 82 5.687 5.249 -40.255 1.00 0.00 C ATOM 1249 O SER A 82 5.846 4.034 -40.355 1.00 0.00 O ATOM 1250 CB SER A 82 7.543 6.529 -41.299 1.00 0.00 C ATOM 1251 OG SER A 82 7.938 7.310 -42.407 1.00 0.00 O ATOM 0 H SER A 82 5.788 8.218 -41.127 1.00 0.00 H new ATOM 0 HA SER A 82 5.875 5.638 -42.346 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.720 7.079 -40.375 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.146 5.622 -41.251 1.00 0.00 H new ATOM 0 HG SER A 82 8.103 6.726 -43.177 1.00 0.00 H new ATOM 1257 N ALA A 83 5.186 5.820 -39.153 1.00 0.00 N ATOM 1258 CA ALA A 83 4.828 5.038 -37.984 1.00 0.00 C ATOM 1259 C ALA A 83 3.553 4.241 -38.242 1.00 0.00 C ATOM 1260 O ALA A 83 3.509 3.047 -37.964 1.00 0.00 O ATOM 1261 CB ALA A 83 4.641 5.971 -36.791 1.00 0.00 C ATOM 0 H ALA A 83 5.023 6.822 -39.055 1.00 0.00 H new ATOM 0 HA ALA A 83 5.629 4.331 -37.767 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.372 5.387 -35.911 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.570 6.508 -36.600 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.847 6.685 -37.009 1.00 0.00 H new ATOM 1267 N GLN A 84 2.509 4.884 -38.774 1.00 0.00 N ATOM 1268 CA GLN A 84 1.249 4.196 -39.018 1.00 0.00 C ATOM 1269 C GLN A 84 1.410 3.140 -40.111 1.00 0.00 C ATOM 1270 O GLN A 84 0.683 2.146 -40.121 1.00 0.00 O ATOM 1271 CB GLN A 84 0.165 5.217 -39.392 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.048 6.247 -38.282 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.368 5.602 -36.938 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.131 4.643 -36.866 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.216 6.124 -35.863 1.00 0.00 N ATOM 0 H GLN A 84 2.515 5.869 -39.040 1.00 0.00 H new ATOM 0 HA GLN A 84 0.944 3.682 -38.107 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.448 5.727 -40.313 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.772 4.697 -39.591 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.848 6.860 -38.183 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.862 6.916 -38.563 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.845 6.921 -35.961 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.035 5.727 -34.941 1.00 0.00 H new ATOM 1284 N ALA A 85 2.359 3.342 -41.031 1.00 0.00 N ATOM 1285 CA ALA A 85 2.651 2.346 -42.048 1.00 0.00 C ATOM 1286 C ALA A 85 3.331 1.141 -41.411 1.00 0.00 C ATOM 1287 O ALA A 85 3.035 0.005 -41.774 1.00 0.00 O ATOM 1288 CB ALA A 85 3.576 2.950 -43.102 1.00 0.00 C ATOM 0 H ALA A 85 2.932 4.184 -41.086 1.00 0.00 H new ATOM 0 HA ALA A 85 1.719 2.029 -42.516 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.795 2.203 -43.865 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.089 3.809 -43.564 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.505 3.270 -42.630 1.00 0.00 H new ATOM 1294 N ALA A 86 4.239 1.386 -40.464 1.00 0.00 N ATOM 1295 CA ALA A 86 4.970 0.321 -39.804 1.00 0.00 C ATOM 1296 C ALA A 86 4.060 -0.532 -38.915 1.00 0.00 C ATOM 1297 O ALA A 86 4.349 -1.707 -38.698 1.00 0.00 O ATOM 1298 CB ALA A 86 6.098 0.930 -38.980 1.00 0.00 C ATOM 0 H ALA A 86 4.481 2.322 -40.141 1.00 0.00 H new ATOM 0 HA ALA A 86 5.380 -0.340 -40.567 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.653 0.136 -38.480 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.769 1.485 -39.636 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.680 1.606 -38.234 1.00 0.00 H new ATOM 1304 N ILE A 87 2.964 0.038 -38.398 1.00 0.00 N ATOM 1305 CA ILE A 87 2.002 -0.751 -37.636 1.00 0.00 C ATOM 1306 C ILE A 87 1.344 -1.762 -38.566 1.00 0.00 C ATOM 1307 O ILE A 87 1.312 -2.952 -38.270 1.00 0.00 O ATOM 1308 CB ILE A 87 0.939 0.146 -37.000 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.573 1.098 -35.979 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.136 -0.718 -36.332 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.525 1.941 -35.251 1.00 0.00 C ATOM 0 H ILE A 87 2.728 1.026 -38.494 1.00 0.00 H new ATOM 0 HA ILE A 87 2.526 -1.270 -36.833 1.00 0.00 H new ATOM 0 HB ILE A 87 0.476 0.749 -37.781 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.143 0.521 -35.251 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.278 1.756 -36.487 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.891 -0.075 -35.880 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.605 -1.358 -37.079 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.322 -1.337 -35.560 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.020 2.600 -34.538 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.028 2.539 -35.975 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.165 1.285 -34.720 1.00 0.00 H new ATOM 1323 N GLN A 88 0.820 -1.284 -39.698 1.00 0.00 N ATOM 1324 CA GLN A 88 0.153 -2.145 -40.663 1.00 0.00 C ATOM 1325 C GLN A 88 1.145 -3.088 -41.338 1.00 0.00 C ATOM 1326 O GLN A 88 0.743 -4.035 -42.015 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.556 -1.280 -41.707 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.632 -0.408 -41.058 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.321 0.503 -42.064 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.986 0.522 -43.246 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.300 1.275 -41.601 1.00 0.00 N ATOM 0 H GLN A 88 0.848 -0.300 -39.964 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.580 -2.758 -40.138 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.172 -0.647 -42.215 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.009 -1.918 -42.466 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.375 -1.047 -40.581 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.181 0.198 -40.272 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.556 1.237 -40.614 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.795 1.905 -42.233 1.00 0.00 H new ATOM 1340 N ALA A 89 2.446 -2.838 -41.158 1.00 0.00 N ATOM 1341 CA ALA A 89 3.486 -3.640 -41.771 1.00 0.00 C ATOM 1342 C ALA A 89 3.851 -4.864 -40.928 1.00 0.00 C ATOM 1343 O ALA A 89 4.204 -5.899 -41.498 1.00 0.00 O ATOM 1344 CB ALA A 89 4.715 -2.760 -41.982 1.00 0.00 C ATOM 0 H ALA A 89 2.798 -2.073 -40.582 1.00 0.00 H new ATOM 0 HA ALA A 89 3.114 -4.016 -42.724 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.509 -3.348 -42.443 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.457 -1.925 -42.633 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.058 -2.378 -41.021 1.00 0.00 H new ATOM 1350 N MET A 90 3.778 -4.769 -39.593 1.00 0.00 N ATOM 1351 CA MET A 90 4.157 -5.893 -38.738 1.00 0.00 C ATOM 1352 C MET A 90 3.071 -6.370 -37.778 1.00 0.00 C ATOM 1353 O MET A 90 3.195 -7.462 -37.227 1.00 0.00 O ATOM 1354 CB MET A 90 5.454 -5.591 -37.994 1.00 0.00 C ATOM 1355 CG MET A 90 6.632 -5.696 -38.959 1.00 0.00 C ATOM 1356 SD MET A 90 8.241 -5.897 -38.161 1.00 0.00 S ATOM 1357 CE MET A 90 7.988 -7.496 -37.344 1.00 0.00 C ATOM 0 H MET A 90 3.465 -3.938 -39.092 1.00 0.00 H new ATOM 0 HA MET A 90 4.311 -6.730 -39.419 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.413 -4.591 -37.561 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.583 -6.291 -37.168 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.464 -6.541 -39.627 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.658 -4.800 -39.579 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.953 -7.917 -37.061 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.378 -7.356 -36.452 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.481 -8.177 -38.027 1.00 0.00 H new ATOM 1367 N ASN A 91 2.013 -5.590 -37.562 1.00 0.00 N ATOM 1368 CA ASN A 91 0.907 -6.066 -36.750 1.00 0.00 C ATOM 1369 C ASN A 91 0.331 -7.317 -37.414 1.00 0.00 C ATOM 1370 O ASN A 91 -0.011 -7.295 -38.595 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.145 -4.962 -36.627 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.238 -5.309 -35.626 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.110 -6.253 -34.849 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.324 -4.541 -35.634 1.00 0.00 N ATOM 0 H ASN A 91 1.903 -4.646 -37.931 1.00 0.00 H new ATOM 0 HA ASN A 91 1.241 -6.321 -35.744 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.340 -4.034 -36.324 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.595 -4.782 -37.604 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.085 -4.727 -34.981 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.396 -3.766 -36.293 1.00 0.00 H new ATOM 1381 N GLY A 92 0.224 -8.412 -36.653 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.292 -9.673 -37.163 1.00 0.00 C ATOM 1383 C GLY A 92 0.750 -10.510 -37.911 1.00 0.00 C ATOM 1384 O GLY A 92 0.404 -11.578 -38.416 1.00 0.00 O ATOM 0 H GLY A 92 0.494 -8.442 -35.670 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.684 -10.257 -36.331 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.128 -9.469 -37.832 1.00 0.00 H new ATOM 1388 N PHE A 93 2.011 -10.066 -37.994 1.00 0.00 N ATOM 1389 CA PHE A 93 3.073 -10.854 -38.614 1.00 0.00 C ATOM 1390 C PHE A 93 3.206 -12.125 -37.783 1.00 0.00 C ATOM 1391 O PHE A 93 3.142 -12.056 -36.559 1.00 0.00 O ATOM 1392 CB PHE A 93 4.387 -10.071 -38.544 1.00 0.00 C ATOM 1393 CG PHE A 93 5.536 -10.710 -39.292 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.338 -11.672 -38.658 1.00 0.00 C ATOM 1395 CD2 PHE A 93 5.806 -10.342 -40.618 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.399 -12.273 -39.350 1.00 0.00 C ATOM 1397 CE2 PHE A 93 6.871 -10.941 -41.306 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.666 -11.908 -40.676 1.00 0.00 C ATOM 0 H PHE A 93 2.317 -9.161 -37.637 1.00 0.00 H new ATOM 0 HA PHE A 93 2.849 -11.077 -39.657 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.221 -9.070 -38.943 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.671 -9.954 -37.498 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.137 -11.950 -37.634 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.195 -9.599 -41.108 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.010 -13.017 -38.861 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.080 -10.656 -42.327 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.482 -12.371 -41.211 1.00 0.00 H new ATOM 1408 N GLN A 94 3.385 -13.288 -38.412 1.00 0.00 N ATOM 1409 CA GLN A 94 3.532 -14.526 -37.659 1.00 0.00 C ATOM 1410 C GLN A 94 4.997 -14.845 -37.381 1.00 0.00 C ATOM 1411 O GLN A 94 5.829 -14.815 -38.288 1.00 0.00 O ATOM 1412 CB GLN A 94 2.839 -15.684 -38.381 1.00 0.00 C ATOM 1413 CG GLN A 94 3.042 -16.973 -37.578 1.00 0.00 C ATOM 1414 CD GLN A 94 2.198 -18.130 -38.093 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.465 -18.008 -39.073 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.298 -19.277 -37.423 1.00 0.00 N ATOM 0 H GLN A 94 3.431 -13.395 -39.425 1.00 0.00 H new ATOM 0 HA GLN A 94 3.045 -14.387 -36.694 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.775 -15.474 -38.492 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.248 -15.799 -39.385 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.095 -17.254 -37.612 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.795 -16.787 -36.533 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.916 -19.343 -36.614 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.757 -20.089 -37.719 1.00 0.00 H new ATOM 1425 N ILE A 95 5.306 -15.152 -36.122 1.00 0.00 N ATOM 1426 CA ILE A 95 6.635 -15.582 -35.710 1.00 0.00 C ATOM 1427 C ILE A 95 6.455 -16.615 -34.597 1.00 0.00 C ATOM 1428 O ILE A 95 5.815 -16.345 -33.579 1.00 0.00 O ATOM 1429 CB ILE A 95 7.454 -14.354 -35.294 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.948 -14.696 -35.266 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.017 -13.775 -33.944 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.784 -13.415 -35.215 1.00 0.00 C ATOM 0 H ILE A 95 4.634 -15.108 -35.356 1.00 0.00 H new ATOM 0 HA ILE A 95 7.194 -16.056 -36.517 1.00 0.00 H new ATOM 0 HB ILE A 95 7.269 -13.584 -36.043 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.170 -15.318 -34.399 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.212 -15.276 -36.150 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.633 -12.908 -33.703 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.971 -13.473 -33.999 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.136 -14.531 -33.168 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.843 -13.672 -35.195 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.574 -12.808 -36.096 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.531 -12.851 -34.317 1.00 0.00 H new ATOM 1444 N GLY A 96 7.016 -17.812 -34.776 1.00 0.00 N ATOM 1445 CA GLY A 96 6.813 -18.879 -33.808 1.00 0.00 C ATOM 1446 C GLY A 96 5.328 -19.232 -33.710 1.00 0.00 C ATOM 1447 O GLY A 96 4.603 -19.209 -34.704 1.00 0.00 O ATOM 0 H GLY A 96 7.605 -18.060 -35.571 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.384 -19.759 -34.102 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.185 -18.569 -32.832 1.00 0.00 H new ATOM 1451 N MET A 97 4.873 -19.559 -32.497 1.00 0.00 N ATOM 1452 CA MET A 97 3.498 -19.964 -32.232 1.00 0.00 C ATOM 1453 C MET A 97 2.552 -18.775 -32.014 1.00 0.00 C ATOM 1454 O MET A 97 1.403 -18.982 -31.616 1.00 0.00 O ATOM 1455 CB MET A 97 3.469 -20.903 -31.026 1.00 0.00 C ATOM 1456 CG MET A 97 4.319 -22.153 -31.273 1.00 0.00 C ATOM 1457 SD MET A 97 3.794 -23.151 -32.689 1.00 0.00 S ATOM 1458 CE MET A 97 4.982 -24.509 -32.541 1.00 0.00 C ATOM 0 H MET A 97 5.461 -19.548 -31.663 1.00 0.00 H new ATOM 0 HA MET A 97 3.133 -20.483 -33.119 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.838 -20.378 -30.145 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.440 -21.196 -30.815 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.355 -21.849 -31.423 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.296 -22.775 -30.378 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.810 -25.231 -33.339 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.996 -24.116 -32.620 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.857 -24.999 -31.575 1.00 0.00 H new ATOM 1468 N LYS A 98 3.007 -17.539 -32.267 1.00 0.00 N ATOM 1469 CA LYS A 98 2.197 -16.338 -32.056 1.00 0.00 C ATOM 1470 C LYS A 98 2.419 -15.319 -33.171 1.00 0.00 C ATOM 1471 O LYS A 98 3.213 -15.541 -34.086 1.00 0.00 O ATOM 1472 CB LYS A 98 2.483 -15.724 -30.678 1.00 0.00 C ATOM 1473 CG LYS A 98 2.009 -16.639 -29.545 1.00 0.00 C ATOM 1474 CD LYS A 98 1.923 -15.872 -28.221 1.00 0.00 C ATOM 1475 CE LYS A 98 3.257 -15.255 -27.800 1.00 0.00 C ATOM 1476 NZ LYS A 98 4.287 -16.288 -27.577 1.00 0.00 N ATOM 0 H LYS A 98 3.944 -17.348 -32.622 1.00 0.00 H new ATOM 0 HA LYS A 98 1.147 -16.631 -32.083 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.553 -15.541 -30.575 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.985 -14.758 -30.599 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.032 -17.055 -29.793 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.696 -17.479 -29.439 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.177 -15.083 -28.313 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.578 -16.547 -27.438 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.597 -14.562 -28.569 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.119 -14.675 -26.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.153 -15.842 -27.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.938 -16.983 -26.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.498 -16.768 -28.475 1.00 0.00 H new ATOM 1490 N ARG A 99 1.712 -14.186 -33.089 1.00 0.00 N ATOM 1491 CA ARG A 99 1.853 -13.103 -34.048 1.00 0.00 C ATOM 1492 C ARG A 99 2.328 -11.825 -33.364 1.00 0.00 C ATOM 1493 O ARG A 99 1.988 -11.587 -32.206 1.00 0.00 O ATOM 1494 CB ARG A 99 0.530 -12.880 -34.782 1.00 0.00 C ATOM 1495 CG ARG A 99 0.154 -14.105 -35.620 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.173 -13.862 -36.336 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.539 -15.010 -37.172 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.316 -15.093 -38.488 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.716 -14.108 -39.150 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.695 -16.177 -39.158 1.00 0.00 N ATOM 0 H ARG A 99 1.029 -14.002 -32.354 1.00 0.00 H new ATOM 0 HA ARG A 99 2.611 -13.381 -34.780 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.260 -12.672 -34.060 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.611 -12.005 -35.427 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.937 -14.311 -36.349 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.075 -14.984 -34.980 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.958 -13.678 -35.602 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.098 -12.967 -36.954 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.996 -15.801 -36.718 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.416 -13.269 -38.654 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.556 -14.192 -40.154 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.155 -16.944 -38.668 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.525 -16.241 -40.162 1.00 0.00 H new ATOM 1514 N LEU A 100 3.104 -11.005 -34.075 1.00 0.00 N ATOM 1515 CA LEU A 100 3.593 -9.723 -33.591 1.00 0.00 C ATOM 1516 C LEU A 100 2.408 -8.829 -33.245 1.00 0.00 C ATOM 1517 O LEU A 100 1.544 -8.586 -34.086 1.00 0.00 O ATOM 1518 CB LEU A 100 4.395 -9.029 -34.701 1.00 0.00 C ATOM 1519 CG LEU A 100 5.845 -9.493 -34.867 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.714 -9.010 -33.715 1.00 0.00 C ATOM 1521 CD2 LEU A 100 5.948 -11.003 -34.988 1.00 0.00 C ATOM 0 H LEU A 100 3.414 -11.223 -35.022 1.00 0.00 H new ATOM 0 HA LEU A 100 4.219 -9.890 -32.714 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.875 -9.180 -35.647 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.397 -7.957 -34.505 1.00 0.00 H new ATOM 0 HG LEU A 100 6.209 -9.051 -35.795 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.737 -9.355 -33.862 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.700 -7.921 -33.681 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.328 -9.408 -32.776 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.994 -11.288 -35.104 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.542 -11.468 -34.090 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.382 -11.338 -35.857 1.00 0.00 H new ATOM 1533 N LYS A 101 2.366 -8.335 -32.006 1.00 0.00 N ATOM 1534 CA LYS A 101 1.407 -7.312 -31.629 1.00 0.00 C ATOM 1535 C LYS A 101 2.078 -5.951 -31.779 1.00 0.00 C ATOM 1536 O LYS A 101 3.186 -5.759 -31.277 1.00 0.00 O ATOM 1537 CB LYS A 101 0.918 -7.569 -30.203 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.068 -6.492 -29.742 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.344 -6.618 -28.242 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.024 -7.941 -27.880 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.383 -8.017 -28.450 1.00 0.00 N ATOM 0 H LYS A 101 2.987 -8.631 -31.252 1.00 0.00 H new ATOM 0 HA LYS A 101 0.529 -7.334 -32.275 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.439 -8.547 -30.153 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.771 -7.597 -29.525 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.337 -5.504 -29.961 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.001 -6.584 -30.298 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.595 -6.534 -27.695 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.975 -5.789 -27.921 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.425 -8.774 -28.249 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.076 -8.042 -26.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.875 -8.849 -28.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.912 -7.157 -28.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.321 -8.099 -29.485 1.00 0.00 H new ATOM 1555 N VAL A 102 1.417 -5.011 -32.459 1.00 0.00 N ATOM 1556 CA VAL A 102 1.947 -3.663 -32.640 1.00 0.00 C ATOM 1557 C VAL A 102 0.868 -2.622 -32.359 1.00 0.00 C ATOM 1558 O VAL A 102 -0.277 -2.794 -32.775 1.00 0.00 O ATOM 1559 CB VAL A 102 2.540 -3.510 -34.050 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.216 -2.149 -34.242 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.575 -4.600 -34.337 1.00 0.00 C ATOM 0 H VAL A 102 0.508 -5.163 -32.895 1.00 0.00 H new ATOM 0 HA VAL A 102 2.752 -3.497 -31.924 1.00 0.00 H new ATOM 0 HB VAL A 102 1.702 -3.598 -34.742 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.621 -2.083 -35.252 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.484 -1.355 -34.092 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.024 -2.039 -33.519 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.976 -4.465 -35.341 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.385 -4.533 -33.611 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.102 -5.579 -34.264 1.00 0.00 H new ATOM 1571 N GLN A 103 1.220 -1.539 -31.651 1.00 0.00 N ATOM 1572 CA GLN A 103 0.240 -0.529 -31.271 1.00 0.00 C ATOM 1573 C GLN A 103 0.902 0.837 -31.076 1.00 0.00 C ATOM 1574 O GLN A 103 2.114 0.922 -30.898 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.455 -0.993 -29.986 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.651 -0.102 -29.639 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.573 -0.745 -28.604 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -3.746 -0.393 -28.512 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -2.059 -1.685 -27.816 1.00 0.00 N ATOM 0 H GLN A 103 2.171 -1.347 -31.335 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.495 -0.413 -32.067 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.790 -2.023 -30.105 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.258 -0.983 -29.162 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.291 0.853 -29.257 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.218 0.110 -30.545 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -1.081 -1.956 -27.917 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -2.643 -2.135 -27.111 1.00 0.00 H new ATOM 1588 N LEU A 104 0.106 1.908 -31.108 1.00 0.00 N ATOM 1589 CA LEU A 104 0.577 3.260 -30.838 1.00 0.00 C ATOM 1590 C LEU A 104 0.804 3.423 -29.330 1.00 0.00 C ATOM 1591 O LEU A 104 0.182 2.725 -28.529 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.478 4.250 -31.351 1.00 0.00 C ATOM 1593 CG LEU A 104 0.119 5.436 -32.112 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.021 6.205 -32.781 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.861 6.395 -31.183 1.00 0.00 C ATOM 0 H LEU A 104 -0.890 1.857 -31.324 1.00 0.00 H new ATOM 0 HA LEU A 104 1.522 3.454 -31.346 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.173 3.722 -32.004 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.056 4.624 -30.506 1.00 0.00 H new ATOM 0 HG LEU A 104 0.829 5.047 -32.842 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.614 7.055 -33.329 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.548 5.547 -33.472 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.715 6.562 -32.020 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.269 7.222 -31.764 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.171 6.783 -30.434 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.674 5.865 -30.687 1.00 0.00 H new ATOM 1607 N LYS A 105 1.688 4.342 -28.935 1.00 0.00 N ATOM 1608 CA LYS A 105 1.931 4.646 -27.528 1.00 0.00 C ATOM 1609 C LYS A 105 0.653 5.171 -26.869 1.00 0.00 C ATOM 1610 O LYS A 105 -0.194 5.761 -27.540 1.00 0.00 O ATOM 1611 CB LYS A 105 3.088 5.647 -27.424 1.00 0.00 C ATOM 1612 CG LYS A 105 3.378 5.961 -25.959 1.00 0.00 C ATOM 1613 CD LYS A 105 4.705 6.704 -25.803 1.00 0.00 C ATOM 1614 CE LYS A 105 4.997 6.921 -24.318 1.00 0.00 C ATOM 1615 NZ LYS A 105 5.185 5.644 -23.593 1.00 0.00 N ATOM 0 H LYS A 105 2.253 4.893 -29.581 1.00 0.00 H new ATOM 0 HA LYS A 105 2.215 3.740 -26.993 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.979 5.236 -27.899 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.836 6.563 -27.958 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.570 6.565 -25.547 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.408 5.035 -25.385 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.511 6.132 -26.263 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.660 7.663 -26.319 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.893 7.533 -24.211 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.176 7.476 -23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.670 5.825 -22.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.258 5.211 -23.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.759 4.998 -24.171 1.00 0.00 H new ATOM 1629 N ARG A 106 0.510 4.958 -25.557 1.00 0.00 N ATOM 1630 CA ARG A 106 -0.680 5.372 -24.819 1.00 0.00 C ATOM 1631 C ARG A 106 -0.812 6.894 -24.818 1.00 0.00 C ATOM 1632 O ARG A 106 0.161 7.606 -25.055 1.00 0.00 O ATOM 1633 CB ARG A 106 -0.630 4.819 -23.392 1.00 0.00 C ATOM 1634 CG ARG A 106 0.524 5.429 -22.591 1.00 0.00 C ATOM 1635 CD ARG A 106 0.696 4.712 -21.253 1.00 0.00 C ATOM 1636 NE ARG A 106 -0.549 4.713 -20.477 1.00 0.00 N ATOM 1637 CZ ARG A 106 -0.912 3.743 -19.632 1.00 0.00 C ATOM 1638 NH1 ARG A 106 -0.114 2.698 -19.412 1.00 0.00 N ATOM 1639 NH2 ARG A 106 -2.083 3.818 -19.006 1.00 0.00 N ATOM 0 H ARG A 106 1.214 4.496 -24.982 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.562 4.965 -25.314 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.574 5.027 -22.887 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.518 3.735 -23.425 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.447 5.361 -23.166 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.333 6.488 -22.419 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.016 3.685 -21.428 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.485 5.197 -20.678 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.180 5.507 -20.590 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.784 2.633 -19.891 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.402 1.964 -18.765 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.700 4.613 -19.172 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.364 3.080 -18.360 1.00 0.00 H new ATOM 1653 N SER A 107 -2.024 7.385 -24.549 1.00 0.00 N ATOM 1654 CA SER A 107 -2.300 8.815 -24.547 1.00 0.00 C ATOM 1655 C SER A 107 -1.499 9.540 -23.469 1.00 0.00 C ATOM 1656 O SER A 107 -1.284 9.004 -22.381 1.00 0.00 O ATOM 1657 CB SER A 107 -3.797 9.065 -24.361 1.00 0.00 C ATOM 1658 OG SER A 107 -4.505 8.631 -25.507 1.00 0.00 O ATOM 0 H SER A 107 -2.833 6.804 -24.329 1.00 0.00 H new ATOM 0 HA SER A 107 -1.991 9.216 -25.512 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.156 8.535 -23.479 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.979 10.126 -24.191 1.00 0.00 H new ATOM 0 HG SER A 107 -5.463 8.793 -25.380 1.00 0.00 H new ATOM 1664 N LYS A 108 -1.058 10.761 -23.773 1.00 0.00 N ATOM 1665 CA LYS A 108 -0.249 11.568 -22.864 1.00 0.00 C ATOM 1666 C LYS A 108 -1.048 12.107 -21.683 1.00 0.00 C ATOM 1667 O LYS A 108 -0.475 12.679 -20.760 1.00 0.00 O ATOM 1668 CB LYS A 108 0.412 12.700 -23.652 1.00 0.00 C ATOM 1669 CG LYS A 108 1.425 12.097 -24.630 1.00 0.00 C ATOM 1670 CD LYS A 108 2.033 13.197 -25.494 1.00 0.00 C ATOM 1671 CE LYS A 108 3.102 12.588 -26.397 1.00 0.00 C ATOM 1672 NZ LYS A 108 3.584 13.566 -27.388 1.00 0.00 N ATOM 0 H LYS A 108 -1.254 11.219 -24.663 1.00 0.00 H new ATOM 0 HA LYS A 108 0.518 10.925 -22.433 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.341 13.272 -24.194 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.910 13.392 -22.973 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.211 11.579 -24.080 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.936 11.355 -25.262 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.259 13.674 -26.096 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.470 13.972 -24.864 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.938 12.239 -25.791 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.695 11.717 -26.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.431 13.192 -27.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.841 13.739 -28.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.821 14.458 -26.909 1.00 0.00 H new ATOM 1686 N ASN A 109 -2.373 11.932 -21.704 1.00 0.00 N ATOM 1687 CA ASN A 109 -3.225 12.339 -20.598 1.00 0.00 C ATOM 1688 C ASN A 109 -2.955 11.488 -19.357 1.00 0.00 C ATOM 1689 O ASN A 109 -3.334 11.879 -18.251 1.00 0.00 O ATOM 1690 CB ASN A 109 -4.687 12.231 -21.024 1.00 0.00 C ATOM 1691 CG ASN A 109 -5.044 13.257 -22.095 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -4.517 14.368 -22.106 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -5.944 12.895 -23.005 1.00 0.00 N ATOM 0 H ASN A 109 -2.875 11.508 -22.484 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.002 13.374 -20.338 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.882 11.228 -21.403 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.330 12.374 -20.155 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.216 13.547 -23.741 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.362 11.965 -22.967 1.00 0.00 H new ATOM 1700 N ASP A 110 -2.301 10.335 -19.526 1.00 0.00 N ATOM 1701 CA ASP A 110 -1.928 9.471 -18.415 1.00 0.00 C ATOM 1702 C ASP A 110 -0.658 9.932 -17.704 1.00 0.00 C ATOM 1703 O ASP A 110 -0.388 9.510 -16.577 1.00 0.00 O ATOM 1704 CB ASP A 110 -1.784 8.029 -18.904 1.00 0.00 C ATOM 1705 CG ASP A 110 -3.107 7.409 -19.360 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -3.056 6.261 -19.852 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -4.155 8.079 -19.221 1.00 0.00 O ATOM 0 H ASP A 110 -2.018 9.979 -20.439 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.729 9.528 -17.677 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.074 8.002 -19.731 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.363 7.421 -18.103 1.00 0.00 H new ATOM 1712 N SER A 111 0.128 10.795 -18.355 1.00 0.00 N ATOM 1713 CA SER A 111 1.366 11.317 -17.796 1.00 0.00 C ATOM 1714 C SER A 111 1.101 12.559 -16.948 1.00 0.00 C ATOM 1715 O SER A 111 1.939 12.948 -16.136 1.00 0.00 O ATOM 1716 CB SER A 111 2.317 11.630 -18.951 1.00 0.00 C ATOM 1717 OG SER A 111 3.536 12.163 -18.470 1.00 0.00 O ATOM 0 H SER A 111 -0.083 11.149 -19.288 1.00 0.00 H new ATOM 0 HA SER A 111 1.819 10.575 -17.138 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.512 10.723 -19.523 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.848 12.341 -19.631 1.00 0.00 H new ATOM 0 HG SER A 111 4.130 12.355 -19.226 1.00 0.00 H new ATOM 1723 N LYS A 112 -0.069 13.185 -17.135 1.00 0.00 N ATOM 1724 CA LYS A 112 -0.458 14.382 -16.401 1.00 0.00 C ATOM 1725 C LYS A 112 -0.695 14.066 -14.925 1.00 0.00 C ATOM 1726 O LYS A 112 -1.071 12.943 -14.587 1.00 0.00 O ATOM 1727 CB LYS A 112 -1.700 15.000 -17.043 1.00 0.00 C ATOM 1728 CG LYS A 112 -1.392 15.509 -18.453 1.00 0.00 C ATOM 1729 CD LYS A 112 -2.661 16.027 -19.119 1.00 0.00 C ATOM 1730 CE LYS A 112 -2.335 16.523 -20.525 1.00 0.00 C ATOM 1731 NZ LYS A 112 -3.556 16.938 -21.240 1.00 0.00 N ATOM 0 H LYS A 112 -0.771 12.868 -17.804 1.00 0.00 H new ATOM 0 HA LYS A 112 0.355 15.106 -16.450 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.498 14.259 -17.086 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.062 15.823 -16.426 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.648 16.304 -18.405 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.962 14.706 -19.051 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.408 15.235 -19.166 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -3.090 16.836 -18.527 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.642 17.362 -20.466 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.833 15.734 -21.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.304 17.595 -22.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.024 16.101 -21.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.202 17.412 -20.577 1.00 0.00 H new ATOM 1745 N PRO A 113 -0.482 15.047 -14.039 1.00 0.00 N ATOM 1746 CA PRO A 113 -0.604 14.886 -12.600 1.00 0.00 C ATOM 1747 C PRO A 113 -2.061 14.871 -12.131 1.00 0.00 C ATOM 1748 O PRO A 113 -2.314 14.647 -10.948 1.00 0.00 O ATOM 1749 CB PRO A 113 0.122 16.106 -12.026 1.00 0.00 C ATOM 1750 CG PRO A 113 -0.168 17.182 -13.069 1.00 0.00 C ATOM 1751 CD PRO A 113 -0.080 16.401 -14.374 1.00 0.00 C ATOM 0 HA PRO A 113 -0.186 13.934 -12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -0.260 16.380 -11.043 1.00 0.00 H new ATOM 0 HB3 PRO A 113 1.191 15.927 -11.914 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -1.152 17.630 -12.929 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.560 17.993 -13.030 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.735 16.829 -15.133 1.00 0.00 H new ATOM 0 HD3 PRO A 113 0.932 16.422 -14.777 1.00 0.00 H new ATOM 1759 N TRP A 114 -3.019 15.107 -13.034 1.00 0.00 N ATOM 1760 CA TRP A 114 -4.429 15.183 -12.664 1.00 0.00 C ATOM 1761 C TRP A 114 -5.015 13.822 -12.276 1.00 0.00 C ATOM 1762 O TRP A 114 -6.126 13.827 -11.703 1.00 0.00 O ATOM 1763 CB TRP A 114 -5.236 15.871 -13.765 1.00 0.00 C ATOM 1764 CG TRP A 114 -5.264 15.250 -15.126 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -4.751 14.054 -15.497 1.00 0.00 C ATOM 1766 CD2 TRP A 114 -5.860 15.803 -16.336 1.00 0.00 C ATOM 1767 NE1 TRP A 114 -5.001 13.829 -16.835 1.00 0.00 N ATOM 1768 CE2 TRP A 114 -5.690 14.881 -17.402 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -6.541 17.000 -16.623 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 -6.165 15.135 -18.694 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 -7.020 17.268 -17.915 1.00 0.00 C ATOM 1772 CH2 TRP A 114 -6.833 16.341 -18.949 1.00 0.00 C ATOM 0 H TRP A 114 -2.839 15.248 -14.028 1.00 0.00 H new ATOM 0 HA TRP A 114 -4.498 15.795 -11.765 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -6.266 15.954 -13.418 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.852 16.886 -13.872 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.224 13.376 -14.842 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -4.713 12.991 -17.341 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -6.698 17.724 -15.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.019 14.412 -19.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.536 18.196 -18.114 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.203 16.555 -19.941 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 0.278 -13.265 -21.734 1.00 0.00 O ATOM 1785 C5' U B 115 1.553 -12.654 -21.719 1.00 0.00 C ATOM 1786 C4' U B 115 1.703 -11.608 -22.826 1.00 0.00 C ATOM 1787 O4' U B 115 1.729 -12.217 -24.107 1.00 0.00 O ATOM 1788 C3' U B 115 0.563 -10.583 -22.807 1.00 0.00 C ATOM 1789 O3' U B 115 1.002 -9.279 -22.487 1.00 0.00 O ATOM 1790 C2' U B 115 0.083 -10.588 -24.259 1.00 0.00 C ATOM 1791 O2' U B 115 0.796 -9.627 -25.017 1.00 0.00 O ATOM 1792 C1' U B 115 0.494 -11.967 -24.759 1.00 0.00 C ATOM 1793 N1 U B 115 -0.477 -13.064 -24.488 1.00 0.00 N ATOM 1794 C2 U B 115 -0.052 -14.359 -24.777 1.00 0.00 C ATOM 1795 O2 U B 115 1.062 -14.605 -25.237 1.00 0.00 O ATOM 1796 N3 U B 115 -0.953 -15.381 -24.525 1.00 0.00 N ATOM 1797 C4 U B 115 -2.237 -15.229 -24.032 1.00 0.00 C ATOM 1798 O4 U B 115 -2.959 -16.207 -23.848 1.00 0.00 O ATOM 1799 C5 U B 115 -2.605 -13.856 -23.772 1.00 0.00 C ATOM 1800 C6 U B 115 -1.742 -12.840 -24.000 1.00 0.00 C ATOM 0 H5' U B 115 2.322 -13.418 -21.836 1.00 0.00 H new ATOM 0 H5'' U B 115 1.717 -12.182 -20.750 1.00 0.00 H new ATOM 0 H4' U B 115 2.647 -11.098 -22.634 1.00 0.00 H new ATOM 0 H3' U B 115 -0.189 -10.838 -22.060 1.00 0.00 H new ATOM 0 H2' U B 115 -0.981 -10.369 -24.343 1.00 0.00 H new ATOM 0 HO2' U B 115 0.808 -9.897 -25.959 1.00 0.00 H new ATOM 0 HO5' U B 115 -0.062 -13.291 -22.653 1.00 0.00 H new ATOM 0 H1' U B 115 0.551 -11.959 -25.847 1.00 0.00 H new ATOM 0 H3 U B 115 -0.641 -16.332 -24.721 1.00 0.00 H new ATOM 0 H5 U B 115 -3.590 -13.637 -23.387 1.00 0.00 H new ATOM 0 H6 U B 115 -2.055 -11.827 -23.793 1.00 0.00 H new ATOM 1811 P U B 116 1.424 -8.880 -20.987 1.00 0.00 P ATOM 1812 OP1 U B 116 2.560 -9.729 -20.560 1.00 0.00 O ATOM 1813 OP2 U B 116 0.199 -8.823 -20.159 1.00 0.00 O ATOM 1814 O5' U B 116 1.963 -7.378 -21.189 1.00 0.00 O ATOM 1815 C5' U B 116 3.199 -7.146 -21.834 1.00 0.00 C ATOM 1816 C4' U B 116 3.470 -5.653 -22.053 1.00 0.00 C ATOM 1817 O4' U B 116 2.869 -5.232 -23.261 1.00 0.00 O ATOM 1818 C3' U B 116 2.909 -4.768 -20.942 1.00 0.00 C ATOM 1819 O3' U B 116 3.733 -3.621 -20.838 1.00 0.00 O ATOM 1820 C2' U B 116 1.517 -4.443 -21.478 1.00 0.00 C ATOM 1821 O2' U B 116 1.023 -3.201 -21.019 1.00 0.00 O ATOM 1822 C1' U B 116 1.727 -4.434 -22.990 1.00 0.00 C ATOM 1823 N1 U B 116 0.543 -4.961 -23.708 1.00 0.00 N ATOM 1824 C2 U B 116 -0.306 -4.066 -24.346 1.00 0.00 C ATOM 1825 O2 U B 116 -0.109 -2.854 -24.353 1.00 0.00 O ATOM 1826 N3 U B 116 -1.405 -4.609 -24.989 1.00 0.00 N ATOM 1827 C4 U B 116 -1.723 -5.954 -25.058 1.00 0.00 C ATOM 1828 O4 U B 116 -2.725 -6.326 -25.661 1.00 0.00 O ATOM 1829 C5 U B 116 -0.788 -6.810 -24.371 1.00 0.00 C ATOM 1830 C6 U B 116 0.292 -6.304 -23.735 1.00 0.00 C ATOM 0 H5' U B 116 3.206 -7.659 -22.796 1.00 0.00 H new ATOM 0 H5'' U B 116 4.004 -7.575 -21.237 1.00 0.00 H new ATOM 0 H4' U B 116 4.555 -5.545 -22.071 1.00 0.00 H new ATOM 0 H3' U B 116 2.872 -5.208 -19.945 1.00 0.00 H new ATOM 0 H2' U B 116 0.769 -5.161 -21.142 1.00 0.00 H new ATOM 0 HO2' U B 116 1.233 -3.097 -20.068 1.00 0.00 H new ATOM 0 H1' U B 116 1.873 -3.412 -23.339 1.00 0.00 H new ATOM 0 H3 U B 116 -2.038 -3.959 -25.454 1.00 0.00 H new ATOM 0 H5 U B 116 -0.954 -7.877 -24.364 1.00 0.00 H new ATOM 0 H6 U B 116 0.973 -6.977 -23.236 1.00 0.00 H new ATOM 1841 P U B 117 3.827 -2.783 -19.464 1.00 0.00 P ATOM 1842 OP1 U B 117 4.994 -3.280 -18.698 1.00 0.00 O ATOM 1843 OP2 U B 117 2.490 -2.764 -18.826 1.00 0.00 O ATOM 1844 O5' U B 117 4.154 -1.295 -19.989 1.00 0.00 O ATOM 1845 C5' U B 117 5.430 -0.984 -20.505 1.00 0.00 C ATOM 1846 C4' U B 117 5.492 0.453 -21.031 1.00 0.00 C ATOM 1847 O4' U B 117 4.668 0.584 -22.173 1.00 0.00 O ATOM 1848 C3' U B 117 4.991 1.475 -20.009 1.00 0.00 C ATOM 1849 O3' U B 117 5.670 2.695 -20.222 1.00 0.00 O ATOM 1850 C2' U B 117 3.531 1.629 -20.427 1.00 0.00 C ATOM 1851 O2' U B 117 2.950 2.829 -19.959 1.00 0.00 O ATOM 1852 C1' U B 117 3.726 1.609 -21.938 1.00 0.00 C ATOM 1853 N1 U B 117 2.496 1.329 -22.704 1.00 0.00 N ATOM 1854 C2 U B 117 2.117 2.229 -23.691 1.00 0.00 C ATOM 1855 O2 U B 117 2.733 3.270 -23.912 1.00 0.00 O ATOM 1856 N3 U B 117 0.996 1.895 -24.431 1.00 0.00 N ATOM 1857 C4 U B 117 0.209 0.775 -24.243 1.00 0.00 C ATOM 1858 O4 U B 117 -0.777 0.578 -24.954 1.00 0.00 O ATOM 1859 C5 U B 117 0.659 -0.086 -23.175 1.00 0.00 C ATOM 1860 C6 U B 117 1.761 0.205 -22.452 1.00 0.00 C ATOM 0 H5' U B 117 5.676 -1.677 -21.309 1.00 0.00 H new ATOM 0 H5'' U B 117 6.181 -1.119 -19.726 1.00 0.00 H new ATOM 0 H4' U B 117 6.540 0.649 -21.256 1.00 0.00 H new ATOM 0 H3' U B 117 5.132 1.192 -18.966 1.00 0.00 H new ATOM 0 H2' U B 117 2.845 0.880 -20.033 1.00 0.00 H new ATOM 0 HO2' U B 117 3.648 3.507 -19.843 1.00 0.00 H new ATOM 0 H1' U B 117 4.047 2.595 -22.273 1.00 0.00 H new ATOM 0 H3 U B 117 0.727 2.532 -25.181 1.00 0.00 H new ATOM 0 H5 U B 117 0.101 -0.983 -22.950 1.00 0.00 H new ATOM 0 H6 U B 117 2.067 -0.462 -21.660 1.00 0.00 H new ATOM 1871 P A B 118 6.320 3.523 -19.007 1.00 0.00 P ATOM 1872 OP1 A B 118 5.644 3.138 -17.748 1.00 0.00 O ATOM 1873 OP2 A B 118 6.368 4.949 -19.405 1.00 0.00 O ATOM 1874 O5' A B 118 7.832 2.970 -18.970 1.00 0.00 O ATOM 1875 C5' A B 118 8.120 1.667 -18.509 1.00 0.00 C ATOM 1876 C4' A B 118 9.611 1.375 -18.664 1.00 0.00 C ATOM 1877 O4' A B 118 9.940 1.202 -20.035 1.00 0.00 O ATOM 1878 C3' A B 118 10.453 2.515 -18.089 1.00 0.00 C ATOM 1879 O3' A B 118 11.529 2.065 -17.292 1.00 0.00 O ATOM 1880 C2' A B 118 10.974 3.240 -19.325 1.00 0.00 C ATOM 1881 O2' A B 118 12.343 3.574 -19.214 1.00 0.00 O ATOM 1882 C1' A B 118 10.732 2.286 -20.491 1.00 0.00 C ATOM 1883 N9 A B 118 10.089 3.040 -21.585 1.00 0.00 N ATOM 1884 C8 A B 118 8.763 3.167 -21.922 1.00 0.00 C ATOM 1885 N7 A B 118 8.545 3.984 -22.918 1.00 0.00 N ATOM 1886 C5 A B 118 9.823 4.411 -23.276 1.00 0.00 C ATOM 1887 C6 A B 118 10.314 5.298 -24.247 1.00 0.00 C ATOM 1888 N6 A B 118 9.529 5.973 -25.091 1.00 0.00 N ATOM 1889 N1 A B 118 11.640 5.482 -24.330 1.00 0.00 N ATOM 1890 C2 A B 118 12.437 4.816 -23.506 1.00 0.00 C ATOM 1891 N3 A B 118 12.111 3.961 -22.554 1.00 0.00 N ATOM 1892 C4 A B 118 10.767 3.809 -22.491 1.00 0.00 C ATOM 0 H5' A B 118 7.538 0.937 -19.071 1.00 0.00 H new ATOM 0 H5'' A B 118 7.829 1.570 -17.463 1.00 0.00 H new ATOM 0 H4' A B 118 9.829 0.459 -18.116 1.00 0.00 H new ATOM 0 H3' A B 118 9.862 3.144 -17.424 1.00 0.00 H new ATOM 0 H2' A B 118 10.459 4.191 -19.462 1.00 0.00 H new ATOM 0 HO2' A B 118 12.773 2.980 -18.564 1.00 0.00 H new ATOM 0 H1' A B 118 11.664 1.872 -20.875 1.00 0.00 H new ATOM 0 H8 A B 118 7.972 2.639 -21.410 1.00 0.00 H new ATOM 0 H61 A B 118 9.942 6.605 -25.777 1.00 0.00 H new ATOM 0 H62 A B 118 8.517 5.857 -25.050 1.00 0.00 H new ATOM 0 H2 A B 118 13.494 4.997 -23.630 1.00 0.00 H new ATOM 1904 P A B 119 11.284 1.416 -15.840 1.00 0.00 P ATOM 1905 OP1 A B 119 9.975 1.883 -15.336 1.00 0.00 O ATOM 1906 OP2 A B 119 12.499 1.635 -15.019 1.00 0.00 O ATOM 1907 O5' A B 119 11.171 -0.151 -16.161 1.00 0.00 O ATOM 1908 C5' A B 119 12.301 -0.875 -16.601 1.00 0.00 C ATOM 1909 C4' A B 119 12.080 -1.359 -18.032 1.00 0.00 C ATOM 1910 O4' A B 119 12.179 -0.290 -18.959 1.00 0.00 O ATOM 1911 C3' A B 119 13.164 -2.366 -18.387 1.00 0.00 C ATOM 1912 O3' A B 119 12.632 -3.344 -19.260 1.00 0.00 O ATOM 1913 C2' A B 119 14.225 -1.520 -19.077 1.00 0.00 C ATOM 1914 O2' A B 119 14.877 -2.239 -20.106 1.00 0.00 O ATOM 1915 C1' A B 119 13.434 -0.330 -19.613 1.00 0.00 C ATOM 1916 N9 A B 119 14.213 0.901 -19.424 1.00 0.00 N ATOM 1917 C8 A B 119 14.413 1.643 -18.292 1.00 0.00 C ATOM 1918 N7 A B 119 15.210 2.666 -18.458 1.00 0.00 N ATOM 1919 C5 A B 119 15.544 2.603 -19.809 1.00 0.00 C ATOM 1920 C6 A B 119 16.355 3.395 -20.646 1.00 0.00 C ATOM 1921 N6 A B 119 17.017 4.474 -20.226 1.00 0.00 N ATOM 1922 N1 A B 119 16.469 3.044 -21.935 1.00 0.00 N ATOM 1923 C2 A B 119 15.816 1.972 -22.366 1.00 0.00 C ATOM 1924 N3 A B 119 15.027 1.151 -21.699 1.00 0.00 N ATOM 1925 C4 A B 119 14.932 1.536 -20.404 1.00 0.00 C ATOM 0 H5' A B 119 12.478 -1.726 -15.943 1.00 0.00 H new ATOM 0 H5'' A B 119 13.189 -0.245 -16.554 1.00 0.00 H new ATOM 0 H4' A B 119 11.084 -1.798 -18.086 1.00 0.00 H new ATOM 0 H3' A B 119 13.565 -2.905 -17.529 1.00 0.00 H new ATOM 0 H2' A B 119 15.031 -1.216 -18.409 1.00 0.00 H new ATOM 0 HO2' A B 119 15.551 -1.666 -20.529 1.00 0.00 H new ATOM 0 HO3' A B 119 13.224 -4.125 -19.276 1.00 0.00 H new ATOM 0 H1' A B 119 13.250 -0.428 -20.683 1.00 0.00 H new ATOM 0 H8 A B 119 13.953 1.405 -17.344 1.00 0.00 H new ATOM 0 H61 A B 119 17.589 5.008 -20.880 1.00 0.00 H new ATOM 0 H62 A B 119 16.951 4.765 -19.251 1.00 0.00 H new ATOM 0 H2 A B 119 15.949 1.738 -23.412 1.00 0.00 H new TER 1937 A B 119