USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.141 (180deg=-0.662) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.0268 (180deg=-0.179) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -59:sc= 1.11 USER MOD Single : A 8 THR OG1 : rot 51:sc= 0.213 USER MOD Single : A 12 GLN : amide:sc= -0.539 X(o=-0.54,f=-0.32) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0086) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.016 (180deg=-0.228) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0196 (180deg=-0.258) USER MOD Single : A 42 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot -87:sc= 0.00431 USER MOD Single : A 44 MET CE :methyl 157:sc= 0 (180deg=-0.0311) USER MOD Single : A 46 TYR OH : rot -136:sc= 0.247 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00444) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 2.17 (180deg=1.85) USER MOD Single : A 54 MET CE :methyl 180:sc= -0.493 (180deg=-0.493) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.768 K(o=0.77,f=-1.4!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 74 HIS : no HD1:sc= 0.912 K(o=0.93,f=-4.9!) USER MOD Single : A 83 THR OG1 : rot 89:sc= 0.69 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= -0.017 (180deg=-0.143) USER MOD Single : A 92 ASN : amide:sc= -0.0199 K(o=-0.02,f=-0.89) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc=-0.000983 K(o=-0.00098,f=-1.4) USER MOD Single : A 96 ASN : amide:sc= -0.744 K(o=-0.74,f=-2.6) USER MOD Single : A 99 HIS : no HE2:sc= 0.392 K(o=0.39,f=-4.9!) USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= -0.013 (180deg=-0.137) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.0443 (180deg=-0.275) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 112 ASN : amide:sc= 0.781 K(o=0.78,f=-0.25) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -52:sc= 1.24 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.994 16.915 -15.570 1.00 0.00 N ATOM 2 CA MET A 1 15.626 16.494 -15.191 1.00 0.00 C ATOM 3 C MET A 1 15.643 15.799 -13.836 1.00 0.00 C ATOM 4 O MET A 1 16.507 14.965 -13.566 1.00 0.00 O ATOM 5 CB MET A 1 15.033 15.564 -16.260 1.00 0.00 C ATOM 6 CG MET A 1 15.842 14.296 -16.502 1.00 0.00 C ATOM 7 SD MET A 1 15.172 13.283 -17.836 1.00 0.00 S ATOM 8 CE MET A 1 15.390 14.377 -19.239 1.00 0.00 C ATOM 0 H1 MET A 1 17.135 16.762 -16.589 1.00 0.00 H new ATOM 0 H2 MET A 1 17.120 17.924 -15.351 1.00 0.00 H new ATOM 0 H3 MET A 1 17.690 16.356 -15.036 1.00 0.00 H new ATOM 0 HA MET A 1 14.999 17.382 -15.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.022 15.285 -15.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.950 16.113 -17.198 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.871 14.567 -16.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.870 13.708 -15.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.365 13.796 -20.161 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.588 15.115 -19.253 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.350 14.887 -19.157 1.00 0.00 H new ATOM 20 N GLU A 2 14.694 16.156 -12.985 1.00 0.00 N ATOM 21 CA GLU A 2 14.621 15.596 -11.644 1.00 0.00 C ATOM 22 C GLU A 2 13.549 14.526 -11.558 1.00 0.00 C ATOM 23 O GLU A 2 12.465 14.669 -12.120 1.00 0.00 O ATOM 24 CB GLU A 2 14.338 16.695 -10.624 1.00 0.00 C ATOM 25 CG GLU A 2 15.425 17.750 -10.555 1.00 0.00 C ATOM 26 CD GLU A 2 16.791 17.152 -10.299 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.607 17.090 -11.246 1.00 0.00 O ATOM 28 OE2 GLU A 2 17.055 16.739 -9.153 1.00 0.00 O ATOM 0 H GLU A 2 13.962 16.833 -13.200 1.00 0.00 H new ATOM 0 HA GLU A 2 15.584 15.138 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.392 17.175 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.218 16.244 -9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.445 18.309 -11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.188 18.461 -9.764 1.00 0.00 H new ATOM 35 N PHE A 3 13.867 13.444 -10.870 1.00 0.00 N ATOM 36 CA PHE A 3 12.900 12.389 -10.632 1.00 0.00 C ATOM 37 C PHE A 3 12.040 12.738 -9.429 1.00 0.00 C ATOM 38 O PHE A 3 12.546 13.200 -8.405 1.00 0.00 O ATOM 39 CB PHE A 3 13.600 11.045 -10.418 1.00 0.00 C ATOM 40 CG PHE A 3 12.651 9.915 -10.134 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.914 9.345 -11.156 1.00 0.00 C ATOM 42 CD2 PHE A 3 12.494 9.428 -8.846 1.00 0.00 C ATOM 43 CE1 PHE A 3 11.033 8.311 -10.901 1.00 0.00 C ATOM 44 CE2 PHE A 3 11.616 8.393 -8.585 1.00 0.00 C ATOM 45 CZ PHE A 3 10.884 7.835 -9.614 1.00 0.00 C ATOM 0 H PHE A 3 14.788 13.273 -10.466 1.00 0.00 H new ATOM 0 HA PHE A 3 12.261 12.299 -11.511 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.185 10.804 -11.305 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.301 11.137 -9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.028 9.712 -12.165 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.064 9.862 -8.038 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.462 7.876 -11.708 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.503 8.021 -7.577 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.196 7.027 -9.412 1.00 0.00 H new ATOM 55 N THR A 4 10.747 12.531 -9.562 1.00 0.00 N ATOM 56 CA THR A 4 9.815 12.842 -8.495 1.00 0.00 C ATOM 57 C THR A 4 9.280 11.576 -7.843 1.00 0.00 C ATOM 58 O THR A 4 8.843 10.644 -8.521 1.00 0.00 O ATOM 59 CB THR A 4 8.634 13.674 -9.011 1.00 0.00 C ATOM 60 OG1 THR A 4 8.971 14.277 -10.268 1.00 0.00 O ATOM 61 CG2 THR A 4 8.287 14.753 -8.004 1.00 0.00 C ATOM 0 H THR A 4 10.314 12.147 -10.402 1.00 0.00 H new ATOM 0 HA THR A 4 10.366 13.422 -7.755 1.00 0.00 H new ATOM 0 HB THR A 4 7.773 13.020 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.211 14.805 -10.592 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.448 15.341 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.015 14.291 -7.055 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.149 15.404 -7.857 1.00 0.00 H new ATOM 69 N VAL A 5 9.337 11.552 -6.523 1.00 0.00 N ATOM 70 CA VAL A 5 8.763 10.463 -5.746 1.00 0.00 C ATOM 71 C VAL A 5 7.426 10.916 -5.172 1.00 0.00 C ATOM 72 O VAL A 5 7.218 12.104 -4.921 1.00 0.00 O ATOM 73 CB VAL A 5 9.703 9.994 -4.598 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.154 10.095 -5.028 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.471 10.759 -3.304 1.00 0.00 C ATOM 0 H VAL A 5 9.778 12.280 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 5 8.624 9.611 -6.411 1.00 0.00 H new ATOM 0 HB VAL A 5 9.463 8.950 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.799 9.763 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.319 9.465 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.388 11.130 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.153 10.392 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.651 11.821 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.442 10.613 -2.975 1.00 0.00 H new ATOM 85 N SER A 6 6.520 9.970 -4.999 1.00 0.00 N ATOM 86 CA SER A 6 5.174 10.272 -4.538 1.00 0.00 C ATOM 87 C SER A 6 5.156 10.626 -3.048 1.00 0.00 C ATOM 88 O SER A 6 5.068 9.748 -2.191 1.00 0.00 O ATOM 89 CB SER A 6 4.259 9.077 -4.812 1.00 0.00 C ATOM 90 OG SER A 6 4.347 8.681 -6.173 1.00 0.00 O ATOM 0 H SER A 6 6.693 8.980 -5.172 1.00 0.00 H new ATOM 0 HA SER A 6 4.812 11.142 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.537 8.244 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.229 9.338 -4.570 1.00 0.00 H new ATOM 0 HG SER A 6 3.757 7.915 -6.330 1.00 0.00 H new ATOM 96 N THR A 7 5.256 11.918 -2.753 1.00 0.00 N ATOM 97 CA THR A 7 5.180 12.401 -1.379 1.00 0.00 C ATOM 98 C THR A 7 3.725 12.504 -0.925 1.00 0.00 C ATOM 99 O THR A 7 2.818 12.079 -1.642 1.00 0.00 O ATOM 100 CB THR A 7 5.859 13.778 -1.226 1.00 0.00 C ATOM 101 OG1 THR A 7 5.232 14.745 -2.084 1.00 0.00 O ATOM 102 CG2 THR A 7 7.342 13.693 -1.551 1.00 0.00 C ATOM 0 H THR A 7 5.390 12.651 -3.449 1.00 0.00 H new ATOM 0 HA THR A 7 5.707 11.681 -0.754 1.00 0.00 H new ATOM 0 HB THR A 7 5.746 14.092 -0.188 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.298 14.447 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.797 14.677 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.823 12.989 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.470 13.352 -2.578 1.00 0.00 H new ATOM 110 N THR A 8 3.502 13.072 0.255 1.00 0.00 N ATOM 111 CA THR A 8 2.154 13.243 0.776 1.00 0.00 C ATOM 112 C THR A 8 1.315 14.102 -0.175 1.00 0.00 C ATOM 113 O THR A 8 0.139 13.818 -0.411 1.00 0.00 O ATOM 114 CB THR A 8 2.176 13.879 2.181 1.00 0.00 C ATOM 115 OG1 THR A 8 3.131 13.201 3.011 1.00 0.00 O ATOM 116 CG2 THR A 8 0.806 13.802 2.830 1.00 0.00 C ATOM 0 H THR A 8 4.239 13.421 0.868 1.00 0.00 H new ATOM 0 HA THR A 8 1.700 12.255 0.854 1.00 0.00 H new ATOM 0 HB THR A 8 2.458 14.927 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.991 13.148 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.846 14.257 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.081 14.335 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.505 12.758 2.922 1.00 0.00 H new ATOM 124 N GLU A 9 1.946 15.129 -0.740 1.00 0.00 N ATOM 125 CA GLU A 9 1.306 15.987 -1.734 1.00 0.00 C ATOM 126 C GLU A 9 0.787 15.161 -2.906 1.00 0.00 C ATOM 127 O GLU A 9 -0.394 15.224 -3.256 1.00 0.00 O ATOM 128 CB GLU A 9 2.294 17.042 -2.240 1.00 0.00 C ATOM 129 CG GLU A 9 1.755 17.879 -3.384 1.00 0.00 C ATOM 130 CD GLU A 9 2.809 18.787 -3.984 1.00 0.00 C ATOM 131 OE1 GLU A 9 3.413 18.407 -5.011 1.00 0.00 O ATOM 132 OE2 GLU A 9 3.041 19.881 -3.430 1.00 0.00 O ATOM 0 H GLU A 9 2.908 15.389 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 9 0.462 16.487 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.564 17.701 -1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.209 16.545 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.363 17.220 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.920 18.482 -3.027 1.00 0.00 H new ATOM 139 N ASP A 10 1.680 14.373 -3.492 1.00 0.00 N ATOM 140 CA ASP A 10 1.343 13.545 -4.641 1.00 0.00 C ATOM 141 C ASP A 10 0.275 12.530 -4.258 1.00 0.00 C ATOM 142 O ASP A 10 -0.654 12.270 -5.023 1.00 0.00 O ATOM 143 CB ASP A 10 2.582 12.809 -5.165 1.00 0.00 C ATOM 144 CG ASP A 10 3.748 13.734 -5.455 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.561 13.977 -4.532 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.865 14.212 -6.605 1.00 0.00 O ATOM 0 H ASP A 10 2.650 14.291 -3.187 1.00 0.00 H new ATOM 0 HA ASP A 10 0.962 14.196 -5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.891 12.064 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.319 12.270 -6.075 1.00 0.00 H new ATOM 151 N LEU A 11 0.407 11.985 -3.055 1.00 0.00 N ATOM 152 CA LEU A 11 -0.510 10.973 -2.558 1.00 0.00 C ATOM 153 C LEU A 11 -1.937 11.504 -2.487 1.00 0.00 C ATOM 154 O LEU A 11 -2.889 10.774 -2.751 1.00 0.00 O ATOM 155 CB LEU A 11 -0.056 10.471 -1.185 1.00 0.00 C ATOM 156 CG LEU A 11 -0.975 9.441 -0.540 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.013 8.176 -1.377 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.518 9.133 0.876 1.00 0.00 C ATOM 0 H LEU A 11 1.150 12.232 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.500 10.138 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.939 10.037 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.035 11.325 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.982 9.854 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.673 7.448 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.385 8.411 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.009 7.760 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.186 8.396 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.497 8.736 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.537 10.046 1.471 1.00 0.00 H new ATOM 170 N GLN A 12 -2.082 12.785 -2.161 1.00 0.00 N ATOM 171 CA GLN A 12 -3.404 13.386 -2.037 1.00 0.00 C ATOM 172 C GLN A 12 -4.103 13.431 -3.389 1.00 0.00 C ATOM 173 O GLN A 12 -5.317 13.245 -3.483 1.00 0.00 O ATOM 174 CB GLN A 12 -3.315 14.789 -1.439 1.00 0.00 C ATOM 175 CG GLN A 12 -2.841 14.804 0.008 1.00 0.00 C ATOM 176 CD GLN A 12 -3.644 13.869 0.895 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.663 14.258 1.462 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.185 12.634 1.029 1.00 0.00 N ATOM 0 H GLN A 12 -1.306 13.422 -1.979 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.992 12.764 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.634 15.390 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.295 15.263 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.789 14.520 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.911 15.819 0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.335 12.350 0.541 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.681 11.967 1.620 1.00 0.00 H new ATOM 187 N ARG A 13 -3.318 13.653 -4.431 1.00 0.00 N ATOM 188 CA ARG A 13 -3.828 13.673 -5.793 1.00 0.00 C ATOM 189 C ARG A 13 -4.388 12.305 -6.179 1.00 0.00 C ATOM 190 O ARG A 13 -5.553 12.183 -6.560 1.00 0.00 O ATOM 191 CB ARG A 13 -2.713 14.068 -6.759 1.00 0.00 C ATOM 192 CG ARG A 13 -3.117 13.968 -8.217 1.00 0.00 C ATOM 193 CD ARG A 13 -1.970 14.333 -9.138 1.00 0.00 C ATOM 194 NE ARG A 13 -2.300 14.085 -10.540 1.00 0.00 N ATOM 195 CZ ARG A 13 -1.408 13.732 -11.464 1.00 0.00 C ATOM 196 NH1 ARG A 13 -0.121 13.634 -11.151 1.00 0.00 N ATOM 197 NH2 ARG A 13 -1.804 13.489 -12.708 1.00 0.00 N ATOM 0 H ARG A 13 -2.315 13.824 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.633 14.406 -5.851 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.402 15.091 -6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.848 13.429 -6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.451 12.953 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.962 14.629 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.717 15.385 -9.005 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.087 13.756 -8.865 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.273 14.189 -10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.189 13.829 -10.199 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.558 13.363 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.790 13.573 -12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.122 13.219 -13.417 1.00 0.00 H new ATOM 211 N TYR A 14 -3.553 11.278 -6.056 1.00 0.00 N ATOM 212 CA TYR A 14 -3.926 9.926 -6.465 1.00 0.00 C ATOM 213 C TYR A 14 -5.087 9.401 -5.632 1.00 0.00 C ATOM 214 O TYR A 14 -5.968 8.710 -6.142 1.00 0.00 O ATOM 215 CB TYR A 14 -2.736 8.978 -6.331 1.00 0.00 C ATOM 216 CG TYR A 14 -1.475 9.493 -6.986 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.489 9.964 -8.292 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.269 9.512 -6.296 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.341 10.442 -8.890 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.885 9.987 -6.889 1.00 0.00 C ATOM 221 CZ TYR A 14 0.843 10.452 -8.185 1.00 0.00 C ATOM 222 OH TYR A 14 1.988 10.934 -8.778 1.00 0.00 O ATOM 0 H TYR A 14 -2.610 11.356 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.236 9.972 -7.509 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.540 8.802 -5.273 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.997 8.016 -6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.414 9.956 -8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.233 9.149 -5.279 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.370 10.807 -9.906 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.815 9.994 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 14 2.735 10.872 -8.146 1.00 0.00 H new ATOM 232 N ARG A 15 -5.085 9.743 -4.354 1.00 0.00 N ATOM 233 CA ARG A 15 -6.113 9.284 -3.436 1.00 0.00 C ATOM 234 C ARG A 15 -7.467 9.884 -3.797 1.00 0.00 C ATOM 235 O ARG A 15 -8.490 9.209 -3.731 1.00 0.00 O ATOM 236 CB ARG A 15 -5.686 9.598 -1.996 1.00 0.00 C ATOM 237 CG ARG A 15 -6.760 10.183 -1.090 1.00 0.00 C ATOM 238 CD ARG A 15 -6.246 10.265 0.341 1.00 0.00 C ATOM 239 NE ARG A 15 -7.241 10.778 1.277 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.381 10.323 2.521 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.660 9.287 2.943 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.254 10.893 3.341 1.00 0.00 N ATOM 0 H ARG A 15 -4.378 10.341 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.228 8.203 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.316 8.680 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.850 10.296 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.043 11.175 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.656 9.564 -1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.929 9.274 0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.365 10.906 0.368 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.862 11.524 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.996 8.837 2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.771 8.943 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.818 11.680 3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.361 10.545 4.294 1.00 0.00 H new ATOM 256 N THR A 16 -7.458 11.142 -4.215 1.00 0.00 N ATOM 257 CA THR A 16 -8.663 11.797 -4.694 1.00 0.00 C ATOM 258 C THR A 16 -9.151 11.140 -5.985 1.00 0.00 C ATOM 259 O THR A 16 -10.330 10.811 -6.122 1.00 0.00 O ATOM 260 CB THR A 16 -8.393 13.288 -4.949 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.946 13.917 -3.741 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.638 13.984 -5.472 1.00 0.00 C ATOM 0 H THR A 16 -6.625 11.730 -4.231 1.00 0.00 H new ATOM 0 HA THR A 16 -9.433 11.696 -3.929 1.00 0.00 H new ATOM 0 HB THR A 16 -7.614 13.372 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.019 13.656 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.420 15.038 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.948 13.520 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.440 13.894 -4.739 1.00 0.00 H new ATOM 270 N GLU A 17 -8.223 10.953 -6.918 1.00 0.00 N ATOM 271 CA GLU A 17 -8.499 10.288 -8.189 1.00 0.00 C ATOM 272 C GLU A 17 -9.218 8.954 -7.965 1.00 0.00 C ATOM 273 O GLU A 17 -10.264 8.684 -8.562 1.00 0.00 O ATOM 274 CB GLU A 17 -7.172 10.101 -8.948 1.00 0.00 C ATOM 275 CG GLU A 17 -7.020 8.786 -9.701 1.00 0.00 C ATOM 276 CD GLU A 17 -7.767 8.750 -11.022 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.467 7.866 -11.849 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.648 9.603 -11.246 1.00 0.00 O ATOM 0 H GLU A 17 -7.255 11.259 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.167 10.905 -8.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.063 10.920 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.352 10.187 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.961 8.604 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.377 7.972 -9.069 1.00 0.00 H new ATOM 285 N CYS A 18 -8.666 8.140 -7.075 1.00 0.00 N ATOM 286 CA CYS A 18 -9.230 6.833 -6.772 1.00 0.00 C ATOM 287 C CYS A 18 -10.564 6.950 -6.048 1.00 0.00 C ATOM 288 O CYS A 18 -11.477 6.162 -6.297 1.00 0.00 O ATOM 289 CB CYS A 18 -8.246 6.006 -5.950 1.00 0.00 C ATOM 290 SG CYS A 18 -6.718 5.607 -6.855 1.00 0.00 S ATOM 0 H CYS A 18 -7.822 8.365 -6.547 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.413 6.325 -7.719 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.991 6.552 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.730 5.080 -5.640 1.00 0.00 H new ATOM 295 N VAL A 19 -10.694 7.944 -5.178 1.00 0.00 N ATOM 296 CA VAL A 19 -11.935 8.152 -4.453 1.00 0.00 C ATOM 297 C VAL A 19 -13.054 8.523 -5.417 1.00 0.00 C ATOM 298 O VAL A 19 -14.134 7.928 -5.395 1.00 0.00 O ATOM 299 CB VAL A 19 -11.788 9.237 -3.361 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.143 9.806 -2.973 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.093 8.660 -2.140 1.00 0.00 C ATOM 0 H VAL A 19 -9.957 8.615 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.186 7.215 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.182 10.048 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.011 10.567 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.614 10.253 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.777 9.007 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.995 9.433 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.681 7.832 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.103 8.300 -2.421 1.00 0.00 H new ATOM 311 N SER A 20 -12.770 9.489 -6.273 1.00 0.00 N ATOM 312 CA SER A 20 -13.725 9.950 -7.267 1.00 0.00 C ATOM 313 C SER A 20 -14.100 8.830 -8.248 1.00 0.00 C ATOM 314 O SER A 20 -15.246 8.742 -8.690 1.00 0.00 O ATOM 315 CB SER A 20 -13.130 11.143 -8.020 1.00 0.00 C ATOM 316 OG SER A 20 -14.090 11.748 -8.870 1.00 0.00 O ATOM 0 H SER A 20 -11.874 9.975 -6.299 1.00 0.00 H new ATOM 0 HA SER A 20 -14.639 10.255 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.759 11.878 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.275 10.813 -8.610 1.00 0.00 H new ATOM 0 HG SER A 20 -13.682 12.507 -9.336 1.00 0.00 H new ATOM 322 N SER A 21 -13.144 7.961 -8.568 1.00 0.00 N ATOM 323 CA SER A 21 -13.364 6.924 -9.569 1.00 0.00 C ATOM 324 C SER A 21 -14.104 5.722 -8.981 1.00 0.00 C ATOM 325 O SER A 21 -15.079 5.245 -9.558 1.00 0.00 O ATOM 326 CB SER A 21 -12.027 6.475 -10.163 1.00 0.00 C ATOM 327 OG SER A 21 -12.215 5.532 -11.205 1.00 0.00 O ATOM 0 H SER A 21 -12.214 7.955 -8.150 1.00 0.00 H new ATOM 0 HA SER A 21 -13.987 7.348 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.488 7.341 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.408 6.036 -9.380 1.00 0.00 H new ATOM 0 HG SER A 21 -11.344 5.265 -11.566 1.00 0.00 H new ATOM 333 N LEU A 22 -13.650 5.243 -7.827 1.00 0.00 N ATOM 334 CA LEU A 22 -14.219 4.042 -7.226 1.00 0.00 C ATOM 335 C LEU A 22 -15.479 4.350 -6.421 1.00 0.00 C ATOM 336 O LEU A 22 -15.993 3.485 -5.713 1.00 0.00 O ATOM 337 CB LEU A 22 -13.183 3.366 -6.328 1.00 0.00 C ATOM 338 CG LEU A 22 -11.996 2.762 -7.068 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.918 2.349 -6.085 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.441 1.569 -7.887 1.00 0.00 C ATOM 0 H LEU A 22 -12.892 5.666 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.499 3.369 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.812 4.097 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.676 2.580 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.585 3.515 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.076 1.919 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.582 3.222 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.320 1.608 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.583 1.147 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.871 0.815 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.190 1.885 -8.613 1.00 0.00 H new ATOM 352 N ASN A 23 -15.964 5.588 -6.538 1.00 0.00 N ATOM 353 CA ASN A 23 -17.161 6.039 -5.821 1.00 0.00 C ATOM 354 C ASN A 23 -17.023 5.835 -4.315 1.00 0.00 C ATOM 355 O ASN A 23 -17.998 5.531 -3.629 1.00 0.00 O ATOM 356 CB ASN A 23 -18.410 5.316 -6.331 1.00 0.00 C ATOM 357 CG ASN A 23 -18.728 5.644 -7.775 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.267 4.968 -8.698 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.517 6.683 -7.982 1.00 0.00 N ATOM 0 H ASN A 23 -15.541 6.304 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.267 7.107 -6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.268 4.240 -6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.261 5.585 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.766 6.953 -8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.877 7.216 -7.190 1.00 0.00 H new ATOM 366 N ILE A 24 -15.804 5.996 -3.811 1.00 0.00 N ATOM 367 CA ILE A 24 -15.533 5.855 -2.390 1.00 0.00 C ATOM 368 C ILE A 24 -16.264 6.937 -1.602 1.00 0.00 C ATOM 369 O ILE A 24 -16.049 8.129 -1.824 1.00 0.00 O ATOM 370 CB ILE A 24 -14.021 5.956 -2.092 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.220 5.026 -3.014 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.749 5.630 -0.629 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.511 3.551 -2.818 1.00 0.00 C ATOM 0 H ILE A 24 -14.984 6.226 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.887 4.870 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.699 6.979 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.431 5.291 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.156 5.199 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.680 5.705 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.285 6.335 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.088 4.617 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.904 2.965 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.273 3.266 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.566 3.360 -3.012 1.00 0.00 H new ATOM 385 N PRO A 25 -17.145 6.529 -0.680 1.00 0.00 N ATOM 386 CA PRO A 25 -17.878 7.460 0.175 1.00 0.00 C ATOM 387 C PRO A 25 -16.937 8.263 1.061 1.00 0.00 C ATOM 388 O PRO A 25 -15.931 7.746 1.561 1.00 0.00 O ATOM 389 CB PRO A 25 -18.776 6.562 1.027 1.00 0.00 C ATOM 390 CG PRO A 25 -18.788 5.237 0.354 1.00 0.00 C ATOM 391 CD PRO A 25 -17.492 5.130 -0.399 1.00 0.00 C ATOM 0 HA PRO A 25 -18.438 8.192 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.393 6.479 2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.783 6.972 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.881 4.432 1.083 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.638 5.153 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.722 4.636 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.607 4.552 -1.316 1.00 0.00 H new ATOM 399 N ALA A 26 -17.285 9.535 1.241 1.00 0.00 N ATOM 400 CA ALA A 26 -16.488 10.474 2.024 1.00 0.00 C ATOM 401 C ALA A 26 -16.234 9.949 3.427 1.00 0.00 C ATOM 402 O ALA A 26 -15.201 10.240 4.026 1.00 0.00 O ATOM 403 CB ALA A 26 -17.200 11.811 2.097 1.00 0.00 C ATOM 0 H ALA A 26 -18.132 9.944 0.846 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.524 10.596 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.602 12.510 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.337 12.206 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.173 11.680 2.571 1.00 0.00 H new ATOM 409 N ASP A 27 -17.187 9.177 3.939 1.00 0.00 N ATOM 410 CA ASP A 27 -17.070 8.564 5.260 1.00 0.00 C ATOM 411 C ASP A 27 -15.779 7.755 5.383 1.00 0.00 C ATOM 412 O ASP A 27 -15.020 7.922 6.343 1.00 0.00 O ATOM 413 CB ASP A 27 -18.270 7.663 5.532 1.00 0.00 C ATOM 414 CG ASP A 27 -18.253 7.094 6.936 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.724 5.982 7.129 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.769 7.767 7.856 1.00 0.00 O ATOM 0 H ASP A 27 -18.058 8.959 3.454 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.044 9.365 5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.189 8.230 5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.279 6.846 4.811 1.00 0.00 H new ATOM 421 N TYR A 28 -15.535 6.879 4.406 1.00 0.00 N ATOM 422 CA TYR A 28 -14.311 6.089 4.367 1.00 0.00 C ATOM 423 C TYR A 28 -13.081 6.982 4.260 1.00 0.00 C ATOM 424 O TYR A 28 -12.052 6.704 4.868 1.00 0.00 O ATOM 425 CB TYR A 28 -14.347 5.110 3.195 1.00 0.00 C ATOM 426 CG TYR A 28 -15.155 3.865 3.479 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.542 2.696 3.919 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.530 3.859 3.307 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.282 1.559 4.177 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.277 2.726 3.562 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.649 1.578 3.997 1.00 0.00 C ATOM 432 OH TYR A 28 -17.388 0.448 4.251 1.00 0.00 O ATOM 0 H TYR A 28 -16.174 6.701 3.631 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.246 5.529 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.764 5.614 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.327 4.822 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.472 2.678 4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.026 4.756 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.792 0.659 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.348 2.739 3.421 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.335 0.630 4.075 1.00 0.00 H new ATOM 442 N VAL A 29 -13.202 8.056 3.489 1.00 0.00 N ATOM 443 CA VAL A 29 -12.104 8.995 3.289 1.00 0.00 C ATOM 444 C VAL A 29 -11.630 9.582 4.622 1.00 0.00 C ATOM 445 O VAL A 29 -10.424 9.694 4.871 1.00 0.00 O ATOM 446 CB VAL A 29 -12.523 10.127 2.336 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.382 11.102 2.118 1.00 0.00 C ATOM 448 CG2 VAL A 29 -12.990 9.550 1.012 1.00 0.00 C ATOM 0 H VAL A 29 -14.057 8.300 2.988 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.276 8.445 2.841 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.349 10.672 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.704 11.893 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.089 11.539 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.532 10.576 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.284 10.361 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.179 8.982 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.843 8.893 1.182 1.00 0.00 H new ATOM 458 N GLU A 30 -12.582 9.935 5.482 1.00 0.00 N ATOM 459 CA GLU A 30 -12.263 10.472 6.805 1.00 0.00 C ATOM 460 C GLU A 30 -11.540 9.428 7.653 1.00 0.00 C ATOM 461 O GLU A 30 -10.682 9.766 8.470 1.00 0.00 O ATOM 462 CB GLU A 30 -13.526 10.940 7.522 1.00 0.00 C ATOM 463 CG GLU A 30 -14.501 11.645 6.603 1.00 0.00 C ATOM 464 CD GLU A 30 -15.629 12.321 7.348 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.463 13.500 7.734 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.686 11.689 7.545 1.00 0.00 O ATOM 0 H GLU A 30 -13.581 9.859 5.288 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.604 11.329 6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.019 10.080 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.248 11.613 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.964 12.389 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.918 10.923 5.901 1.00 0.00 H new ATOM 473 N LYS A 31 -11.884 8.159 7.446 1.00 0.00 N ATOM 474 CA LYS A 31 -11.210 7.063 8.137 1.00 0.00 C ATOM 475 C LYS A 31 -9.756 6.969 7.694 1.00 0.00 C ATOM 476 O LYS A 31 -8.845 6.958 8.520 1.00 0.00 O ATOM 477 CB LYS A 31 -11.900 5.723 7.878 1.00 0.00 C ATOM 478 CG LYS A 31 -13.345 5.674 8.340 1.00 0.00 C ATOM 479 CD LYS A 31 -13.922 4.274 8.202 1.00 0.00 C ATOM 480 CE LYS A 31 -15.418 4.255 8.502 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.712 4.588 9.921 1.00 0.00 N ATOM 0 H LYS A 31 -12.623 7.865 6.807 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.258 7.277 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.863 5.507 6.810 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.341 4.935 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.408 5.995 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.940 6.374 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.748 3.905 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.405 3.597 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.926 4.967 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.820 3.269 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.735 4.513 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.208 3.925 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.398 5.559 10.122 1.00 0.00 H new ATOM 495 N PHE A 32 -9.550 6.918 6.380 1.00 0.00 N ATOM 496 CA PHE A 32 -8.215 6.791 5.804 1.00 0.00 C ATOM 497 C PHE A 32 -7.329 7.955 6.232 1.00 0.00 C ATOM 498 O PHE A 32 -6.130 7.794 6.447 1.00 0.00 O ATOM 499 CB PHE A 32 -8.288 6.744 4.276 1.00 0.00 C ATOM 500 CG PHE A 32 -9.253 5.725 3.737 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.964 5.974 2.574 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.453 4.523 4.393 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.855 5.044 2.077 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.342 3.590 3.900 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.043 3.849 2.741 1.00 0.00 C ATOM 0 H PHE A 32 -10.299 6.963 5.689 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.782 5.860 6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.573 7.729 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.294 6.531 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.819 6.907 2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.907 4.313 5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.404 5.251 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.489 2.656 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.738 3.118 2.354 1.00 0.00 H new ATOM 515 N LYS A 33 -7.940 9.124 6.370 1.00 0.00 N ATOM 516 CA LYS A 33 -7.227 10.328 6.772 1.00 0.00 C ATOM 517 C LYS A 33 -6.644 10.164 8.175 1.00 0.00 C ATOM 518 O LYS A 33 -5.634 10.778 8.513 1.00 0.00 O ATOM 519 CB LYS A 33 -8.169 11.529 6.739 1.00 0.00 C ATOM 520 CG LYS A 33 -7.443 12.850 6.557 1.00 0.00 C ATOM 521 CD LYS A 33 -8.415 14.017 6.497 1.00 0.00 C ATOM 522 CE LYS A 33 -7.691 15.335 6.277 1.00 0.00 C ATOM 523 NZ LYS A 33 -6.985 15.365 4.972 1.00 0.00 N ATOM 0 H LYS A 33 -8.937 9.264 6.208 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.408 10.495 6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.885 11.400 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.741 11.560 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.745 12.999 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.853 12.819 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.130 13.855 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.986 14.065 7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.408 16.155 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.974 15.494 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.707 16.342 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.136 14.766 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.617 15.007 4.227 1.00 0.00 H new ATOM 537 N LYS A 34 -7.281 9.318 8.980 1.00 0.00 N ATOM 538 CA LYS A 34 -6.826 9.059 10.340 1.00 0.00 C ATOM 539 C LYS A 34 -6.015 7.768 10.400 1.00 0.00 C ATOM 540 O LYS A 34 -5.708 7.268 11.485 1.00 0.00 O ATOM 541 CB LYS A 34 -8.020 8.968 11.297 1.00 0.00 C ATOM 542 CG LYS A 34 -8.792 10.267 11.439 1.00 0.00 C ATOM 543 CD LYS A 34 -9.967 10.107 12.389 1.00 0.00 C ATOM 544 CE LYS A 34 -10.792 11.381 12.482 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.401 11.744 11.175 1.00 0.00 N ATOM 0 H LYS A 34 -8.117 8.799 8.711 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.188 9.888 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.698 8.190 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.663 8.659 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.128 11.049 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.152 10.588 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.600 9.287 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.600 9.838 13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.579 11.251 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.159 12.199 12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.146 12.454 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.670 12.137 10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.813 10.896 10.737 1.00 0.00 H new ATOM 559 N TRP A 35 -5.667 7.252 9.223 1.00 0.00 N ATOM 560 CA TRP A 35 -4.935 5.994 9.087 1.00 0.00 C ATOM 561 C TRP A 35 -5.735 4.821 9.654 1.00 0.00 C ATOM 562 O TRP A 35 -5.215 3.998 10.411 1.00 0.00 O ATOM 563 CB TRP A 35 -3.561 6.089 9.753 1.00 0.00 C ATOM 564 CG TRP A 35 -2.635 7.049 9.067 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.444 8.364 9.379 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.774 6.772 7.954 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.517 8.919 8.533 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.091 7.964 7.649 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.514 5.633 7.187 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.165 8.049 6.613 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.595 5.717 6.159 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.071 6.916 5.878 1.00 0.00 C ATOM 0 H TRP A 35 -5.886 7.697 8.332 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.786 5.810 8.023 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.688 6.397 10.791 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.103 5.100 9.767 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.949 8.891 10.175 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.197 9.887 8.559 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.023 4.703 7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.349 8.974 6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.387 4.842 5.561 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.784 6.949 5.067 1.00 0.00 H new ATOM 583 N GLU A 36 -7.005 4.764 9.287 1.00 0.00 N ATOM 584 CA GLU A 36 -7.878 3.666 9.674 1.00 0.00 C ATOM 585 C GLU A 36 -8.451 2.990 8.438 1.00 0.00 C ATOM 586 O GLU A 36 -9.264 3.572 7.717 1.00 0.00 O ATOM 587 CB GLU A 36 -9.010 4.164 10.569 1.00 0.00 C ATOM 588 CG GLU A 36 -8.545 4.693 11.910 1.00 0.00 C ATOM 589 CD GLU A 36 -9.695 5.163 12.773 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.359 4.309 13.405 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.945 6.385 12.830 1.00 0.00 O ATOM 0 H GLU A 36 -7.459 5.475 8.714 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.288 2.941 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.553 4.952 10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.714 3.349 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.995 3.912 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.852 5.519 11.751 1.00 0.00 H new ATOM 598 N PHE A 37 -8.008 1.771 8.190 1.00 0.00 N ATOM 599 CA PHE A 37 -8.444 1.023 7.018 1.00 0.00 C ATOM 600 C PHE A 37 -9.240 -0.211 7.445 1.00 0.00 C ATOM 601 O PHE A 37 -8.655 -1.250 7.765 1.00 0.00 O ATOM 602 CB PHE A 37 -7.228 0.603 6.175 1.00 0.00 C ATOM 603 CG PHE A 37 -6.312 1.749 5.826 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.396 2.384 4.595 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.369 2.195 6.741 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.559 3.441 4.287 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.531 3.248 6.437 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.625 3.872 5.210 1.00 0.00 C ATOM 0 H PHE A 37 -7.345 1.274 8.784 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.087 1.663 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.661 -0.151 6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.578 0.135 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.123 2.049 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.290 1.712 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.635 3.929 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.802 3.584 7.159 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.969 4.696 4.971 1.00 0.00 H new ATOM 618 N PRO A 38 -10.583 -0.105 7.489 1.00 0.00 N ATOM 619 CA PRO A 38 -11.458 -1.234 7.831 1.00 0.00 C ATOM 620 C PRO A 38 -11.383 -2.360 6.813 1.00 0.00 C ATOM 621 O PRO A 38 -11.102 -2.134 5.631 1.00 0.00 O ATOM 622 CB PRO A 38 -12.863 -0.626 7.826 1.00 0.00 C ATOM 623 CG PRO A 38 -12.652 0.840 7.949 1.00 0.00 C ATOM 624 CD PRO A 38 -11.363 1.118 7.228 1.00 0.00 C ATOM 0 HA PRO A 38 -11.171 -1.681 8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.395 -0.872 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.461 -1.009 8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.478 1.395 7.505 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.591 1.142 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.521 1.279 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.865 2.007 7.614 1.00 0.00 H new ATOM 632 N GLU A 39 -11.634 -3.572 7.280 1.00 0.00 N ATOM 633 CA GLU A 39 -11.645 -4.734 6.411 1.00 0.00 C ATOM 634 C GLU A 39 -12.943 -4.777 5.614 1.00 0.00 C ATOM 635 O GLU A 39 -13.933 -5.380 6.028 1.00 0.00 O ATOM 636 CB GLU A 39 -11.456 -6.018 7.220 1.00 0.00 C ATOM 637 CG GLU A 39 -11.353 -7.269 6.359 1.00 0.00 C ATOM 638 CD GLU A 39 -10.994 -8.504 7.156 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.791 -8.737 7.390 1.00 0.00 O ATOM 640 OE2 GLU A 39 -11.912 -9.252 7.549 1.00 0.00 O ATOM 0 H GLU A 39 -11.833 -3.776 8.259 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.812 -4.657 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.554 -5.927 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.292 -6.129 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.303 -7.434 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.602 -7.111 5.585 1.00 0.00 H new ATOM 647 N ASP A 40 -12.924 -4.105 4.476 1.00 0.00 N ATOM 648 CA ASP A 40 -14.088 -4.006 3.600 1.00 0.00 C ATOM 649 C ASP A 40 -13.613 -3.839 2.165 1.00 0.00 C ATOM 650 O ASP A 40 -12.582 -3.210 1.913 1.00 0.00 O ATOM 651 CB ASP A 40 -14.976 -2.820 4.009 1.00 0.00 C ATOM 652 CG ASP A 40 -16.210 -2.687 3.139 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.110 -2.109 2.041 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.289 -3.163 3.552 1.00 0.00 O ATOM 0 H ASP A 40 -12.102 -3.611 4.129 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.682 -4.916 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.281 -2.941 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.395 -1.900 3.952 1.00 0.00 H new ATOM 659 N ASP A 41 -14.373 -4.412 1.232 1.00 0.00 N ATOM 660 CA ASP A 41 -13.976 -4.465 -0.179 1.00 0.00 C ATOM 661 C ASP A 41 -13.825 -3.069 -0.775 1.00 0.00 C ATOM 662 O ASP A 41 -13.088 -2.884 -1.746 1.00 0.00 O ATOM 663 CB ASP A 41 -14.982 -5.273 -1.012 1.00 0.00 C ATOM 664 CG ASP A 41 -16.356 -4.638 -1.062 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.630 -3.875 -2.012 1.00 0.00 O ATOM 666 OD2 ASP A 41 -17.172 -4.905 -0.155 1.00 0.00 O ATOM 0 H ASP A 41 -15.273 -4.849 1.428 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.007 -4.963 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.601 -5.381 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.067 -6.277 -0.595 1.00 0.00 H new ATOM 671 N THR A 42 -14.526 -2.096 -0.201 1.00 0.00 N ATOM 672 CA THR A 42 -14.412 -0.709 -0.625 1.00 0.00 C ATOM 673 C THR A 42 -12.993 -0.191 -0.382 1.00 0.00 C ATOM 674 O THR A 42 -12.315 0.267 -1.306 1.00 0.00 O ATOM 675 CB THR A 42 -15.411 0.167 0.147 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.706 -0.450 0.144 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.499 1.553 -0.461 1.00 0.00 C ATOM 0 H THR A 42 -15.183 -2.247 0.564 1.00 0.00 H new ATOM 0 HA THR A 42 -14.635 -0.659 -1.691 1.00 0.00 H new ATOM 0 HB THR A 42 -15.059 0.264 1.174 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.753 -1.115 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.213 2.153 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.519 2.028 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.829 1.476 -1.497 1.00 0.00 H new ATOM 685 N THR A 43 -12.555 -0.291 0.869 1.00 0.00 N ATOM 686 CA THR A 43 -11.211 0.102 1.268 1.00 0.00 C ATOM 687 C THR A 43 -10.148 -0.639 0.456 1.00 0.00 C ATOM 688 O THR A 43 -9.115 -0.075 0.093 1.00 0.00 O ATOM 689 CB THR A 43 -10.993 -0.202 2.763 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.045 0.385 3.542 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.647 0.325 3.241 1.00 0.00 C ATOM 0 H THR A 43 -13.125 -0.648 1.636 1.00 0.00 H new ATOM 0 HA THR A 43 -11.114 1.172 1.082 1.00 0.00 H new ATOM 0 HB THR A 43 -11.004 -1.284 2.892 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.811 1.311 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.521 0.096 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.848 -0.147 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.607 1.405 3.096 1.00 0.00 H new ATOM 699 N MET A 44 -10.427 -1.899 0.157 1.00 0.00 N ATOM 700 CA MET A 44 -9.467 -2.762 -0.513 1.00 0.00 C ATOM 701 C MET A 44 -9.202 -2.306 -1.944 1.00 0.00 C ATOM 702 O MET A 44 -8.050 -2.157 -2.352 1.00 0.00 O ATOM 703 CB MET A 44 -9.967 -4.203 -0.503 1.00 0.00 C ATOM 704 CG MET A 44 -10.153 -4.759 0.894 1.00 0.00 C ATOM 705 SD MET A 44 -10.823 -6.427 0.893 1.00 0.00 S ATOM 706 CE MET A 44 -10.953 -6.711 2.653 1.00 0.00 C ATOM 0 H MET A 44 -11.317 -2.349 0.370 1.00 0.00 H new ATOM 0 HA MET A 44 -8.525 -2.701 0.032 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.915 -4.256 -1.038 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.260 -4.830 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.194 -4.757 1.412 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.820 -4.104 1.455 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.698 -7.484 2.843 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.987 -7.034 3.042 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.253 -5.788 3.149 1.00 0.00 H new ATOM 716 N CYS A 45 -10.267 -2.078 -2.699 1.00 0.00 N ATOM 717 CA CYS A 45 -10.135 -1.622 -4.078 1.00 0.00 C ATOM 718 C CYS A 45 -9.532 -0.225 -4.122 1.00 0.00 C ATOM 719 O CYS A 45 -8.822 0.125 -5.067 1.00 0.00 O ATOM 720 CB CYS A 45 -11.489 -1.647 -4.792 1.00 0.00 C ATOM 721 SG CYS A 45 -12.222 -3.315 -4.918 1.00 0.00 S ATOM 0 H CYS A 45 -11.229 -2.200 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.464 -2.304 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.182 -0.994 -4.261 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.369 -1.236 -5.794 1.00 0.00 H new ATOM 726 N TYR A 46 -9.799 0.563 -3.084 1.00 0.00 N ATOM 727 CA TYR A 46 -9.210 1.885 -2.956 1.00 0.00 C ATOM 728 C TYR A 46 -7.690 1.784 -2.913 1.00 0.00 C ATOM 729 O TYR A 46 -6.991 2.472 -3.658 1.00 0.00 O ATOM 730 CB TYR A 46 -9.752 2.571 -1.698 1.00 0.00 C ATOM 731 CG TYR A 46 -8.947 3.774 -1.253 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.915 4.938 -2.013 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.227 3.748 -0.063 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.192 6.039 -1.598 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.499 4.845 0.354 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.485 5.987 -0.416 1.00 0.00 C ATOM 737 OH TYR A 46 -6.780 7.090 -0.001 1.00 0.00 O ATOM 0 H TYR A 46 -10.422 0.304 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.481 2.487 -3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.780 2.883 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.780 1.845 -0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.464 4.982 -2.942 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.238 2.855 0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.181 6.937 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.943 4.808 1.279 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.898 6.812 0.324 1.00 0.00 H new ATOM 747 N ILE A 47 -7.191 0.899 -2.058 1.00 0.00 N ATOM 748 CA ILE A 47 -5.760 0.674 -1.930 1.00 0.00 C ATOM 749 C ILE A 47 -5.167 0.182 -3.249 1.00 0.00 C ATOM 750 O ILE A 47 -4.065 0.579 -3.627 1.00 0.00 O ATOM 751 CB ILE A 47 -5.448 -0.339 -0.804 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.862 0.233 0.565 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.972 -0.723 -0.812 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.192 1.551 0.920 1.00 0.00 C ATOM 0 H ILE A 47 -7.763 0.323 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.303 1.629 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.029 -1.243 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.943 0.374 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.629 -0.500 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.777 -1.436 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.719 -1.176 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.363 0.168 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.539 1.883 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.111 1.414 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.445 2.301 0.171 1.00 0.00 H new ATOM 766 N LYS A 48 -5.916 -0.665 -3.952 1.00 0.00 N ATOM 767 CA LYS A 48 -5.473 -1.202 -5.232 1.00 0.00 C ATOM 768 C LYS A 48 -5.201 -0.056 -6.202 1.00 0.00 C ATOM 769 O LYS A 48 -4.099 0.071 -6.736 1.00 0.00 O ATOM 770 CB LYS A 48 -6.538 -2.152 -5.807 1.00 0.00 C ATOM 771 CG LYS A 48 -6.045 -3.083 -6.922 1.00 0.00 C ATOM 772 CD LYS A 48 -5.648 -2.348 -8.203 1.00 0.00 C ATOM 773 CE LYS A 48 -6.837 -1.690 -8.895 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.745 -2.682 -9.529 1.00 0.00 N ATOM 0 H LYS A 48 -6.834 -0.993 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.553 -1.767 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.935 -2.761 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.365 -1.555 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.188 -3.650 -6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.829 -3.804 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.904 -1.587 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.176 -3.051 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.397 -1.102 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.474 -0.997 -9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.518 -2.184 -10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.212 -3.250 -10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.141 -3.307 -8.798 1.00 0.00 H new ATOM 788 N CYS A 49 -6.218 0.774 -6.415 1.00 0.00 N ATOM 789 CA CYS A 49 -6.113 1.904 -7.330 1.00 0.00 C ATOM 790 C CYS A 49 -4.956 2.829 -6.955 1.00 0.00 C ATOM 791 O CYS A 49 -4.147 3.189 -7.810 1.00 0.00 O ATOM 792 CB CYS A 49 -7.428 2.688 -7.362 1.00 0.00 C ATOM 793 SG CYS A 49 -7.330 4.275 -8.261 1.00 0.00 S ATOM 0 H CYS A 49 -7.128 0.684 -5.963 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.911 1.505 -8.324 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.197 2.068 -7.824 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.748 2.882 -6.338 1.00 0.00 H new ATOM 798 N VAL A 50 -4.867 3.193 -5.677 1.00 0.00 N ATOM 799 CA VAL A 50 -3.858 4.131 -5.213 1.00 0.00 C ATOM 800 C VAL A 50 -2.453 3.595 -5.454 1.00 0.00 C ATOM 801 O VAL A 50 -1.602 4.278 -6.027 1.00 0.00 O ATOM 802 CB VAL A 50 -4.041 4.447 -3.716 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.910 5.311 -3.196 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.369 5.134 -3.489 1.00 0.00 C ATOM 0 H VAL A 50 -5.487 2.848 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.985 5.050 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.026 3.506 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.067 5.517 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.963 4.788 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.886 6.250 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.489 5.353 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.399 6.064 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.177 4.481 -3.818 1.00 0.00 H new ATOM 814 N PHE A 51 -2.236 2.354 -5.047 1.00 0.00 N ATOM 815 CA PHE A 51 -0.936 1.716 -5.175 1.00 0.00 C ATOM 816 C PHE A 51 -0.554 1.555 -6.642 1.00 0.00 C ATOM 817 O PHE A 51 0.622 1.553 -6.998 1.00 0.00 O ATOM 818 CB PHE A 51 -0.959 0.359 -4.468 1.00 0.00 C ATOM 819 CG PHE A 51 -0.625 0.422 -3.004 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.920 1.551 -2.253 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.027 -0.658 -2.375 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.619 1.601 -0.905 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.276 -0.612 -1.029 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.021 0.518 -0.293 1.00 0.00 C ATOM 0 H PHE A 51 -2.951 1.764 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.183 2.348 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.949 -0.082 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.252 -0.308 -4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.390 2.400 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.205 -1.546 -2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.851 2.486 -0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.745 -1.460 -0.552 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.214 0.554 0.760 1.00 0.00 H new ATOM 834 N ASN A 52 -1.564 1.444 -7.490 1.00 0.00 N ATOM 835 CA ASN A 52 -1.353 1.276 -8.922 1.00 0.00 C ATOM 836 C ASN A 52 -0.978 2.609 -9.564 1.00 0.00 C ATOM 837 O ASN A 52 -0.060 2.684 -10.381 1.00 0.00 O ATOM 838 CB ASN A 52 -2.621 0.708 -9.570 1.00 0.00 C ATOM 839 CG ASN A 52 -2.475 0.448 -11.061 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.289 0.044 -11.494 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.436 0.583 -11.818 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.545 1.467 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.532 0.577 -9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.889 -0.223 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.445 1.404 -9.409 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.335 0.896 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.334 0.382 -12.813 1.00 0.00 H new ATOM 848 N LYS A 53 -1.673 3.664 -9.158 1.00 0.00 N ATOM 849 CA LYS A 53 -1.456 4.999 -9.706 1.00 0.00 C ATOM 850 C LYS A 53 -0.104 5.553 -9.263 1.00 0.00 C ATOM 851 O LYS A 53 0.525 6.343 -9.970 1.00 0.00 O ATOM 852 CB LYS A 53 -2.584 5.930 -9.249 1.00 0.00 C ATOM 853 CG LYS A 53 -3.955 5.566 -9.811 1.00 0.00 C ATOM 854 CD LYS A 53 -4.054 5.789 -11.313 1.00 0.00 C ATOM 855 CE LYS A 53 -5.267 5.075 -11.895 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.536 5.470 -11.226 1.00 0.00 N ATOM 0 H LYS A 53 -2.400 3.620 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.457 4.936 -10.794 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.634 5.916 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.341 6.951 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.168 4.520 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.718 6.161 -9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.122 6.857 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.148 5.427 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.338 5.295 -12.960 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.130 3.998 -11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.343 5.078 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.545 5.102 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.609 6.507 -11.204 1.00 0.00 H new ATOM 870 N MET A 54 0.337 5.121 -8.087 1.00 0.00 N ATOM 871 CA MET A 54 1.616 5.546 -7.527 1.00 0.00 C ATOM 872 C MET A 54 2.771 4.717 -8.079 1.00 0.00 C ATOM 873 O MET A 54 3.914 4.860 -7.640 1.00 0.00 O ATOM 874 CB MET A 54 1.576 5.431 -6.004 1.00 0.00 C ATOM 875 CG MET A 54 0.748 6.514 -5.349 1.00 0.00 C ATOM 876 SD MET A 54 0.367 6.163 -3.624 1.00 0.00 S ATOM 877 CE MET A 54 1.929 6.522 -2.834 1.00 0.00 C ATOM 0 H MET A 54 -0.179 4.469 -7.496 1.00 0.00 H new ATOM 0 HA MET A 54 1.782 6.585 -7.814 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.172 4.457 -5.730 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.593 5.475 -5.615 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.284 7.461 -5.411 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.183 6.637 -5.903 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.843 6.349 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.702 5.873 -3.245 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.196 7.563 -3.013 1.00 0.00 H new ATOM 887 N GLN A 55 2.454 3.850 -9.044 1.00 0.00 N ATOM 888 CA GLN A 55 3.434 2.965 -9.662 1.00 0.00 C ATOM 889 C GLN A 55 4.141 2.103 -8.621 1.00 0.00 C ATOM 890 O GLN A 55 5.347 1.872 -8.693 1.00 0.00 O ATOM 891 CB GLN A 55 4.438 3.777 -10.479 1.00 0.00 C ATOM 892 CG GLN A 55 3.912 4.153 -11.851 1.00 0.00 C ATOM 893 CD GLN A 55 4.864 5.042 -12.628 1.00 0.00 C ATOM 894 OE1 GLN A 55 4.812 6.268 -12.522 1.00 0.00 O ATOM 895 NE2 GLN A 55 5.736 4.435 -13.418 1.00 0.00 N ATOM 0 H GLN A 55 1.510 3.745 -9.416 1.00 0.00 H new ATOM 0 HA GLN A 55 2.906 2.290 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.695 4.684 -9.932 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.357 3.202 -10.592 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.723 3.245 -12.423 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.956 4.664 -11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.747 3.417 -13.478 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.397 4.986 -13.966 1.00 0.00 H new ATOM 904 N LEU A 56 3.368 1.617 -7.665 1.00 0.00 N ATOM 905 CA LEU A 56 3.907 0.859 -6.550 1.00 0.00 C ATOM 906 C LEU A 56 3.365 -0.567 -6.557 1.00 0.00 C ATOM 907 O LEU A 56 3.906 -1.461 -5.902 1.00 0.00 O ATOM 908 CB LEU A 56 3.563 1.572 -5.232 1.00 0.00 C ATOM 909 CG LEU A 56 4.683 2.442 -4.658 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.220 3.154 -3.396 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.913 1.605 -4.364 1.00 0.00 C ATOM 0 H LEU A 56 2.355 1.736 -7.640 1.00 0.00 H new ATOM 0 HA LEU A 56 4.991 0.801 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.684 2.196 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.290 0.821 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 56 4.942 3.193 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.032 3.767 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.366 3.790 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.930 2.416 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.698 2.242 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.661 0.831 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.265 1.140 -5.285 1.00 0.00 H new ATOM 923 N PHE A 57 2.296 -0.767 -7.312 1.00 0.00 N ATOM 924 CA PHE A 57 1.661 -2.068 -7.436 1.00 0.00 C ATOM 925 C PHE A 57 1.120 -2.235 -8.847 1.00 0.00 C ATOM 926 O PHE A 57 0.544 -1.306 -9.417 1.00 0.00 O ATOM 927 CB PHE A 57 0.532 -2.219 -6.402 1.00 0.00 C ATOM 928 CG PHE A 57 -0.258 -3.495 -6.524 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.177 -4.657 -5.908 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.440 -3.527 -7.249 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.550 -5.827 -6.013 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.170 -4.694 -7.358 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.724 -5.845 -6.739 1.00 0.00 C ATOM 0 H PHE A 57 1.845 -0.031 -7.856 1.00 0.00 H new ATOM 0 HA PHE A 57 2.400 -2.846 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.963 -2.167 -5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.149 -1.374 -6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.095 -4.648 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.793 -2.629 -7.734 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.200 -6.726 -5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.088 -4.707 -7.926 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.293 -6.759 -6.823 1.00 0.00 H new ATOM 943 N ASP A 58 1.323 -3.413 -9.401 1.00 0.00 N ATOM 944 CA ASP A 58 0.856 -3.734 -10.739 1.00 0.00 C ATOM 945 C ASP A 58 -0.015 -4.985 -10.682 1.00 0.00 C ATOM 946 O ASP A 58 0.224 -5.872 -9.869 1.00 0.00 O ATOM 947 CB ASP A 58 2.054 -3.947 -11.671 1.00 0.00 C ATOM 948 CG ASP A 58 1.636 -4.316 -13.077 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.797 -5.489 -13.459 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.124 -3.433 -13.799 1.00 0.00 O ATOM 0 H ASP A 58 1.816 -4.177 -8.938 1.00 0.00 H new ATOM 0 HA ASP A 58 0.261 -2.909 -11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.653 -3.037 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.690 -4.734 -11.266 1.00 0.00 H new ATOM 955 N ASP A 59 -1.033 -5.052 -11.535 1.00 0.00 N ATOM 956 CA ASP A 59 -1.991 -6.157 -11.496 1.00 0.00 C ATOM 957 C ASP A 59 -1.388 -7.434 -12.067 1.00 0.00 C ATOM 958 O ASP A 59 -1.965 -8.515 -11.939 1.00 0.00 O ATOM 959 CB ASP A 59 -3.273 -5.795 -12.254 1.00 0.00 C ATOM 960 CG ASP A 59 -3.044 -5.538 -13.730 1.00 0.00 C ATOM 961 OD1 ASP A 59 -3.266 -6.458 -14.547 1.00 0.00 O ATOM 962 OD2 ASP A 59 -2.663 -4.402 -14.082 1.00 0.00 O ATOM 0 H ASP A 59 -1.217 -4.358 -12.260 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.241 -6.336 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.995 -6.604 -12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.716 -4.907 -11.802 1.00 0.00 H new ATOM 967 N THR A 60 -0.234 -7.306 -12.701 1.00 0.00 N ATOM 968 CA THR A 60 0.478 -8.456 -13.222 1.00 0.00 C ATOM 969 C THR A 60 1.618 -8.870 -12.285 1.00 0.00 C ATOM 970 O THR A 60 1.581 -9.946 -11.686 1.00 0.00 O ATOM 971 CB THR A 60 1.033 -8.160 -14.628 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.046 -7.998 -15.559 1.00 0.00 O ATOM 973 CG2 THR A 60 1.964 -9.263 -15.097 1.00 0.00 C ATOM 0 H THR A 60 0.229 -6.412 -12.867 1.00 0.00 H new ATOM 0 HA THR A 60 -0.230 -9.282 -13.289 1.00 0.00 H new ATOM 0 HB THR A 60 1.606 -7.234 -14.576 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.316 -7.808 -16.450 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.339 -9.024 -16.092 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.802 -9.351 -14.405 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.421 -10.208 -15.131 1.00 0.00 H new ATOM 981 N GLU A 61 2.619 -8.002 -12.153 1.00 0.00 N ATOM 982 CA GLU A 61 3.804 -8.300 -11.353 1.00 0.00 C ATOM 983 C GLU A 61 3.515 -8.230 -9.853 1.00 0.00 C ATOM 984 O GLU A 61 4.294 -8.728 -9.038 1.00 0.00 O ATOM 985 CB GLU A 61 4.920 -7.317 -11.685 1.00 0.00 C ATOM 986 CG GLU A 61 5.029 -6.989 -13.158 1.00 0.00 C ATOM 987 CD GLU A 61 6.133 -5.996 -13.443 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.318 -6.396 -13.426 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.828 -4.810 -13.688 1.00 0.00 O ATOM 0 H GLU A 61 2.632 -7.082 -12.593 1.00 0.00 H new ATOM 0 HA GLU A 61 4.109 -9.318 -11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.756 -6.394 -11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.869 -7.731 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.213 -7.905 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.080 -6.585 -13.509 1.00 0.00 H new ATOM 996 N GLY A 62 2.400 -7.611 -9.491 1.00 0.00 N ATOM 997 CA GLY A 62 2.082 -7.416 -8.089 1.00 0.00 C ATOM 998 C GLY A 62 2.847 -6.254 -7.487 1.00 0.00 C ATOM 999 O GLY A 62 3.099 -5.261 -8.171 1.00 0.00 O ATOM 0 H GLY A 62 1.709 -7.240 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.012 -7.239 -7.982 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.312 -8.326 -7.536 1.00 0.00 H new ATOM 1003 N PRO A 63 3.228 -6.343 -6.204 1.00 0.00 N ATOM 1004 CA PRO A 63 3.958 -5.270 -5.523 1.00 0.00 C ATOM 1005 C PRO A 63 5.339 -5.045 -6.131 1.00 0.00 C ATOM 1006 O PRO A 63 6.179 -5.948 -6.155 1.00 0.00 O ATOM 1007 CB PRO A 63 4.061 -5.754 -4.070 1.00 0.00 C ATOM 1008 CG PRO A 63 3.830 -7.222 -4.121 1.00 0.00 C ATOM 1009 CD PRO A 63 2.973 -7.494 -5.322 1.00 0.00 C ATOM 0 HA PRO A 63 3.452 -4.309 -5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.040 -5.526 -3.649 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.320 -5.262 -3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.776 -7.758 -4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.338 -7.566 -3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.245 -8.434 -5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.919 -7.566 -5.053 1.00 0.00 H new ATOM 1017 N LEU A 64 5.561 -3.833 -6.624 1.00 0.00 N ATOM 1018 CA LEU A 64 6.805 -3.488 -7.305 1.00 0.00 C ATOM 1019 C LEU A 64 7.892 -3.193 -6.287 1.00 0.00 C ATOM 1020 O LEU A 64 8.031 -2.065 -5.814 1.00 0.00 O ATOM 1021 CB LEU A 64 6.596 -2.282 -8.226 1.00 0.00 C ATOM 1022 CG LEU A 64 5.417 -2.426 -9.191 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.204 -1.150 -9.986 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.648 -3.595 -10.129 1.00 0.00 C ATOM 0 H LEU A 64 4.891 -3.066 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 64 7.115 -4.336 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.443 -1.394 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.506 -2.118 -8.804 1.00 0.00 H new ATOM 0 HG LEU A 64 4.518 -2.614 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.360 -1.280 -10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.997 -0.326 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.102 -0.927 -10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.802 -3.687 -10.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.560 -3.427 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.748 -4.512 -9.549 1.00 0.00 H new ATOM 1036 N VAL A 65 8.653 -4.232 -5.971 1.00 0.00 N ATOM 1037 CA VAL A 65 9.663 -4.195 -4.920 1.00 0.00 C ATOM 1038 C VAL A 65 10.624 -3.017 -5.062 1.00 0.00 C ATOM 1039 O VAL A 65 10.919 -2.343 -4.080 1.00 0.00 O ATOM 1040 CB VAL A 65 10.467 -5.509 -4.894 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.622 -5.431 -3.908 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.553 -6.670 -4.554 1.00 0.00 C ATOM 0 H VAL A 65 8.586 -5.134 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 65 9.123 -4.069 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 65 10.890 -5.669 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.169 -6.374 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.292 -4.621 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.234 -5.243 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.130 -7.595 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.104 -6.505 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.767 -6.746 -5.305 1.00 0.00 H new ATOM 1052 N ASP A 66 11.098 -2.762 -6.275 1.00 0.00 N ATOM 1053 CA ASP A 66 12.087 -1.708 -6.501 1.00 0.00 C ATOM 1054 C ASP A 66 11.567 -0.345 -6.052 1.00 0.00 C ATOM 1055 O ASP A 66 12.226 0.354 -5.277 1.00 0.00 O ATOM 1056 CB ASP A 66 12.488 -1.651 -7.971 1.00 0.00 C ATOM 1057 CG ASP A 66 13.513 -0.568 -8.250 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.128 0.512 -8.750 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.707 -0.787 -7.965 1.00 0.00 O ATOM 0 H ASP A 66 10.817 -3.266 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 66 12.964 -1.952 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.893 -2.617 -8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.601 -1.474 -8.580 1.00 0.00 H new ATOM 1064 N ASN A 67 10.383 0.024 -6.528 1.00 0.00 N ATOM 1065 CA ASN A 67 9.777 1.297 -6.156 1.00 0.00 C ATOM 1066 C ASN A 67 9.372 1.287 -4.691 1.00 0.00 C ATOM 1067 O ASN A 67 9.435 2.310 -4.012 1.00 0.00 O ATOM 1068 CB ASN A 67 8.568 1.608 -7.038 1.00 0.00 C ATOM 1069 CG ASN A 67 8.965 1.975 -8.455 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.076 2.444 -8.696 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.054 1.801 -9.399 1.00 0.00 N ATOM 0 H ASN A 67 9.825 -0.539 -7.170 1.00 0.00 H new ATOM 0 HA ASN A 67 10.520 2.080 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.907 0.742 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.002 2.429 -6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.263 2.059 -10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.143 1.409 -9.162 1.00 0.00 H new ATOM 1078 N LEU A 68 8.972 0.117 -4.208 1.00 0.00 N ATOM 1079 CA LEU A 68 8.586 -0.053 -2.813 1.00 0.00 C ATOM 1080 C LEU A 68 9.744 0.272 -1.884 1.00 0.00 C ATOM 1081 O LEU A 68 9.580 0.980 -0.897 1.00 0.00 O ATOM 1082 CB LEU A 68 8.089 -1.478 -2.573 1.00 0.00 C ATOM 1083 CG LEU A 68 6.625 -1.714 -2.946 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.331 -3.201 -3.040 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.712 -1.064 -1.921 1.00 0.00 C ATOM 0 H LEU A 68 8.906 -0.734 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 68 7.776 0.642 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.711 -2.167 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.226 -1.724 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 68 6.440 -1.263 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.284 -3.349 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.967 -3.650 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.531 -3.673 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.672 -1.239 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.904 -1.495 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.904 0.009 -1.891 1.00 0.00 H new ATOM 1097 N VAL A 69 10.916 -0.239 -2.215 1.00 0.00 N ATOM 1098 CA VAL A 69 12.119 0.029 -1.448 1.00 0.00 C ATOM 1099 C VAL A 69 12.561 1.477 -1.616 1.00 0.00 C ATOM 1100 O VAL A 69 12.956 2.131 -0.655 1.00 0.00 O ATOM 1101 CB VAL A 69 13.255 -0.906 -1.878 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.515 -0.596 -1.105 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.852 -2.353 -1.674 1.00 0.00 C ATOM 0 H VAL A 69 11.061 -0.849 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 69 11.888 -0.149 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 69 13.453 -0.747 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.312 -1.269 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.814 0.435 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.330 -0.730 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.669 -3.005 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.631 -2.524 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.967 -2.572 -2.271 1.00 0.00 H new ATOM 1113 N HIS A 70 12.476 1.981 -2.838 1.00 0.00 N ATOM 1114 CA HIS A 70 12.888 3.348 -3.127 1.00 0.00 C ATOM 1115 C HIS A 70 12.011 4.351 -2.379 1.00 0.00 C ATOM 1116 O HIS A 70 12.444 5.459 -2.066 1.00 0.00 O ATOM 1117 CB HIS A 70 12.822 3.610 -4.633 1.00 0.00 C ATOM 1118 CG HIS A 70 13.391 4.937 -5.032 1.00 0.00 C ATOM 1119 ND1 HIS A 70 12.642 5.940 -5.608 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.653 5.422 -4.935 1.00 0.00 C ATOM 1121 CE1 HIS A 70 13.417 6.982 -5.848 1.00 0.00 C ATOM 1122 NE2 HIS A 70 14.640 6.694 -5.447 1.00 0.00 N ATOM 0 H HIS A 70 12.126 1.465 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 70 13.916 3.475 -2.788 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.361 2.820 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.783 3.556 -4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.509 4.903 -4.530 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.102 7.913 -6.297 1.00 0.00 H new ATOM 0 HE2 HIS A 70 15.446 7.317 -5.508 1.00 0.00 H new ATOM 1131 N GLN A 71 10.778 3.958 -2.102 1.00 0.00 N ATOM 1132 CA GLN A 71 9.843 4.818 -1.395 1.00 0.00 C ATOM 1133 C GLN A 71 9.939 4.597 0.112 1.00 0.00 C ATOM 1134 O GLN A 71 10.252 5.516 0.866 1.00 0.00 O ATOM 1135 CB GLN A 71 8.411 4.547 -1.859 1.00 0.00 C ATOM 1136 CG GLN A 71 7.484 5.745 -1.689 1.00 0.00 C ATOM 1137 CD GLN A 71 7.905 6.933 -2.535 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.461 6.775 -3.624 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.657 8.134 -2.038 1.00 0.00 N ATOM 0 H GLN A 71 10.401 3.045 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 71 10.104 5.852 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.426 4.254 -2.909 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.009 3.703 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.468 5.455 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.465 6.039 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.195 8.226 -1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.928 8.968 -2.560 1.00 0.00 H new ATOM 1148 N LEU A 72 9.674 3.367 0.537 1.00 0.00 N ATOM 1149 CA LEU A 72 9.604 3.033 1.957 1.00 0.00 C ATOM 1150 C LEU A 72 10.928 3.248 2.677 1.00 0.00 C ATOM 1151 O LEU A 72 10.950 3.819 3.761 1.00 0.00 O ATOM 1152 CB LEU A 72 9.134 1.592 2.156 1.00 0.00 C ATOM 1153 CG LEU A 72 7.676 1.334 1.781 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.356 -0.147 1.884 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.740 2.137 2.673 1.00 0.00 C ATOM 0 H LEU A 72 9.503 2.578 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 72 8.877 3.715 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.769 0.933 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.279 1.319 3.201 1.00 0.00 H new ATOM 0 HG LEU A 72 7.528 1.654 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.313 -0.314 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.001 -0.707 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.524 -0.485 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.707 1.938 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.892 1.848 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.950 3.200 2.557 1.00 0.00 H new ATOM 1167 N ALA A 73 12.030 2.807 2.075 1.00 0.00 N ATOM 1168 CA ALA A 73 13.351 2.942 2.686 1.00 0.00 C ATOM 1169 C ALA A 73 13.849 4.389 2.669 1.00 0.00 C ATOM 1170 O ALA A 73 15.046 4.645 2.550 1.00 0.00 O ATOM 1171 CB ALA A 73 14.340 2.030 1.991 1.00 0.00 C ATOM 0 H ALA A 73 12.035 2.352 1.162 1.00 0.00 H new ATOM 0 HA ALA A 73 13.263 2.647 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.321 2.138 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.008 0.996 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.404 2.299 0.937 1.00 0.00 H new ATOM 1177 N HIS A 74 12.919 5.321 2.793 1.00 0.00 N ATOM 1178 CA HIS A 74 13.224 6.742 2.802 1.00 0.00 C ATOM 1179 C HIS A 74 13.853 7.123 4.142 1.00 0.00 C ATOM 1180 O HIS A 74 13.173 7.600 5.053 1.00 0.00 O ATOM 1181 CB HIS A 74 11.935 7.543 2.555 1.00 0.00 C ATOM 1182 CG HIS A 74 12.142 9.002 2.302 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.766 9.976 3.197 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.656 9.656 1.233 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.040 11.162 2.692 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.582 10.998 1.501 1.00 0.00 N ATOM 0 H HIS A 74 11.925 5.112 2.891 1.00 0.00 H new ATOM 0 HA HIS A 74 13.935 6.974 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.414 7.111 1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.281 7.428 3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.051 9.204 0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.852 12.110 3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.894 11.746 0.882 1.00 0.00 H new ATOM 1195 N GLY A 75 15.154 6.897 4.253 1.00 0.00 N ATOM 1196 CA GLY A 75 15.861 7.160 5.491 1.00 0.00 C ATOM 1197 C GLY A 75 16.116 5.892 6.286 1.00 0.00 C ATOM 1198 O GLY A 75 16.193 5.925 7.514 1.00 0.00 O ATOM 0 H GLY A 75 15.738 6.533 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.812 7.645 5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.282 7.857 6.097 1.00 0.00 H new ATOM 1202 N ARG A 76 16.242 4.769 5.584 1.00 0.00 N ATOM 1203 CA ARG A 76 16.538 3.483 6.212 1.00 0.00 C ATOM 1204 C ARG A 76 17.252 2.570 5.226 1.00 0.00 C ATOM 1205 O ARG A 76 17.333 2.878 4.037 1.00 0.00 O ATOM 1206 CB ARG A 76 15.259 2.808 6.716 1.00 0.00 C ATOM 1207 CG ARG A 76 14.997 3.015 8.198 1.00 0.00 C ATOM 1208 CD ARG A 76 13.880 2.114 8.699 1.00 0.00 C ATOM 1209 NE ARG A 76 14.180 0.697 8.486 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.258 -0.249 8.312 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.968 0.052 8.358 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.628 -1.505 8.118 1.00 0.00 N ATOM 0 H ARG A 76 16.143 4.724 4.570 1.00 0.00 H new ATOM 0 HA ARG A 76 17.188 3.667 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.410 3.191 6.150 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.320 1.739 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.908 2.813 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.734 4.057 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.718 2.294 9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.952 2.369 8.187 1.00 0.00 H new ATOM 0 HE ARG A 76 15.160 0.415 8.470 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.675 1.014 8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.269 -0.678 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.618 -1.748 8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.923 -2.230 7.985 1.00 0.00 H new ATOM 1226 N ASP A 77 17.770 1.452 5.725 1.00 0.00 N ATOM 1227 CA ASP A 77 18.493 0.503 4.889 1.00 0.00 C ATOM 1228 C ASP A 77 17.563 -0.152 3.878 1.00 0.00 C ATOM 1229 O ASP A 77 16.619 -0.859 4.234 1.00 0.00 O ATOM 1230 CB ASP A 77 19.178 -0.563 5.738 1.00 0.00 C ATOM 1231 CG ASP A 77 19.927 -1.574 4.892 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.351 -2.628 4.569 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.096 -1.311 4.536 1.00 0.00 O ATOM 0 H ASP A 77 17.702 1.182 6.706 1.00 0.00 H new ATOM 0 HA ASP A 77 19.258 1.059 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.872 -0.084 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.432 -1.079 6.342 1.00 0.00 H new ATOM 1238 N ALA A 78 17.857 0.098 2.615 1.00 0.00 N ATOM 1239 CA ALA A 78 17.043 -0.369 1.502 1.00 0.00 C ATOM 1240 C ALA A 78 16.971 -1.890 1.430 1.00 0.00 C ATOM 1241 O ALA A 78 15.945 -2.454 1.051 1.00 0.00 O ATOM 1242 CB ALA A 78 17.605 0.183 0.209 1.00 0.00 C ATOM 0 H ALA A 78 18.675 0.636 2.328 1.00 0.00 H new ATOM 0 HA ALA A 78 16.026 -0.009 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.999 -0.164 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.590 1.272 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.631 -0.162 0.082 1.00 0.00 H new ATOM 1248 N GLU A 79 18.061 -2.548 1.789 1.00 0.00 N ATOM 1249 CA GLU A 79 18.140 -4.002 1.705 1.00 0.00 C ATOM 1250 C GLU A 79 17.200 -4.652 2.712 1.00 0.00 C ATOM 1251 O GLU A 79 16.477 -5.599 2.388 1.00 0.00 O ATOM 1252 CB GLU A 79 19.574 -4.462 1.939 1.00 0.00 C ATOM 1253 CG GLU A 79 20.535 -4.013 0.853 1.00 0.00 C ATOM 1254 CD GLU A 79 21.958 -4.443 1.127 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.711 -3.654 1.735 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.325 -5.576 0.746 1.00 0.00 O ATOM 0 H GLU A 79 18.906 -2.100 2.142 1.00 0.00 H new ATOM 0 HA GLU A 79 17.831 -4.309 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.918 -4.079 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.593 -5.550 2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.213 -4.422 -0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.497 -2.927 0.765 1.00 0.00 H new ATOM 1263 N GLU A 80 17.208 -4.126 3.929 1.00 0.00 N ATOM 1264 CA GLU A 80 16.329 -4.595 4.985 1.00 0.00 C ATOM 1265 C GLU A 80 14.870 -4.355 4.607 1.00 0.00 C ATOM 1266 O GLU A 80 14.036 -5.258 4.702 1.00 0.00 O ATOM 1267 CB GLU A 80 16.674 -3.877 6.284 1.00 0.00 C ATOM 1268 CG GLU A 80 15.777 -4.241 7.446 1.00 0.00 C ATOM 1269 CD GLU A 80 16.208 -3.576 8.734 1.00 0.00 C ATOM 1270 OE1 GLU A 80 16.049 -2.343 8.853 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.703 -4.282 9.637 1.00 0.00 O ATOM 0 H GLU A 80 17.824 -3.363 4.209 1.00 0.00 H new ATOM 0 HA GLU A 80 16.469 -5.667 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.706 -4.105 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.618 -2.801 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.752 -3.951 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.780 -5.323 7.580 1.00 0.00 H new ATOM 1278 N VAL A 81 14.580 -3.135 4.158 1.00 0.00 N ATOM 1279 CA VAL A 81 13.238 -2.761 3.723 1.00 0.00 C ATOM 1280 C VAL A 81 12.729 -3.690 2.623 1.00 0.00 C ATOM 1281 O VAL A 81 11.586 -4.147 2.665 1.00 0.00 O ATOM 1282 CB VAL A 81 13.219 -1.303 3.237 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.897 -0.951 2.572 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.484 -0.386 4.410 1.00 0.00 C ATOM 0 H VAL A 81 15.265 -2.383 4.086 1.00 0.00 H new ATOM 0 HA VAL A 81 12.572 -2.859 4.580 1.00 0.00 H new ATOM 0 HB VAL A 81 14.000 -1.176 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.921 0.087 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.738 -1.602 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.084 -1.086 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.472 0.650 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.712 -0.530 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.459 -0.616 4.839 1.00 0.00 H new ATOM 1294 N ARG A 82 13.588 -3.961 1.643 1.00 0.00 N ATOM 1295 CA ARG A 82 13.283 -4.902 0.572 1.00 0.00 C ATOM 1296 C ARG A 82 12.801 -6.234 1.135 1.00 0.00 C ATOM 1297 O ARG A 82 11.790 -6.779 0.694 1.00 0.00 O ATOM 1298 CB ARG A 82 14.534 -5.142 -0.265 1.00 0.00 C ATOM 1299 CG ARG A 82 14.302 -6.043 -1.461 1.00 0.00 C ATOM 1300 CD ARG A 82 15.520 -6.897 -1.722 1.00 0.00 C ATOM 1301 NE ARG A 82 15.819 -7.753 -0.573 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.732 -8.720 -0.576 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.476 -8.932 -1.654 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.904 -9.463 0.507 1.00 0.00 N ATOM 0 H ARG A 82 14.512 -3.535 1.570 1.00 0.00 H new ATOM 0 HA ARG A 82 12.491 -4.474 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.918 -4.183 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.305 -5.583 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.435 -6.680 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.078 -5.440 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.353 -7.514 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.377 -6.258 -1.936 1.00 0.00 H new ATOM 0 HE ARG A 82 15.292 -7.598 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.349 -8.352 -2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.175 -9.674 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.338 -9.292 1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.603 -10.206 0.510 1.00 0.00 H new ATOM 1318 N THR A 83 13.534 -6.739 2.115 1.00 0.00 N ATOM 1319 CA THR A 83 13.234 -8.025 2.720 1.00 0.00 C ATOM 1320 C THR A 83 11.872 -8.003 3.415 1.00 0.00 C ATOM 1321 O THR A 83 11.045 -8.897 3.216 1.00 0.00 O ATOM 1322 CB THR A 83 14.342 -8.409 3.719 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.504 -8.853 3.001 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.886 -9.486 4.688 1.00 0.00 C ATOM 0 H THR A 83 14.349 -6.271 2.511 1.00 0.00 H new ATOM 0 HA THR A 83 13.194 -8.774 1.929 1.00 0.00 H new ATOM 0 HB THR A 83 14.584 -7.524 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.079 -8.085 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.698 -9.726 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.027 -9.126 5.254 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.605 -10.380 4.132 1.00 0.00 H new ATOM 1332 N GLU A 84 11.646 -6.975 4.227 1.00 0.00 N ATOM 1333 CA GLU A 84 10.378 -6.811 4.928 1.00 0.00 C ATOM 1334 C GLU A 84 9.202 -6.784 3.948 1.00 0.00 C ATOM 1335 O GLU A 84 8.167 -7.405 4.197 1.00 0.00 O ATOM 1336 CB GLU A 84 10.390 -5.537 5.770 1.00 0.00 C ATOM 1337 CG GLU A 84 11.567 -5.448 6.722 1.00 0.00 C ATOM 1338 CD GLU A 84 11.323 -4.488 7.866 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.735 -3.315 7.775 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.702 -4.907 8.866 1.00 0.00 O ATOM 0 H GLU A 84 12.328 -6.240 4.416 1.00 0.00 H new ATOM 0 HA GLU A 84 10.251 -7.669 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.405 -4.673 5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.465 -5.482 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.779 -6.439 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.452 -5.131 6.170 1.00 0.00 H new ATOM 1347 N VAL A 85 9.365 -6.063 2.840 1.00 0.00 N ATOM 1348 CA VAL A 85 8.354 -6.025 1.789 1.00 0.00 C ATOM 1349 C VAL A 85 8.078 -7.425 1.242 1.00 0.00 C ATOM 1350 O VAL A 85 6.926 -7.848 1.153 1.00 0.00 O ATOM 1351 CB VAL A 85 8.794 -5.105 0.630 1.00 0.00 C ATOM 1352 CG1 VAL A 85 7.935 -5.335 -0.603 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.733 -3.651 1.059 1.00 0.00 C ATOM 0 H VAL A 85 10.191 -5.496 2.648 1.00 0.00 H new ATOM 0 HA VAL A 85 7.441 -5.629 2.233 1.00 0.00 H new ATOM 0 HB VAL A 85 9.825 -5.349 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.265 -4.675 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.030 -6.372 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.893 -5.123 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.046 -3.014 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.712 -3.399 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.397 -3.494 1.909 1.00 0.00 H new ATOM 1363 N LEU A 86 9.144 -8.139 0.892 1.00 0.00 N ATOM 1364 CA LEU A 86 9.033 -9.475 0.310 1.00 0.00 C ATOM 1365 C LEU A 86 8.295 -10.436 1.238 1.00 0.00 C ATOM 1366 O LEU A 86 7.623 -11.360 0.780 1.00 0.00 O ATOM 1367 CB LEU A 86 10.421 -10.025 -0.011 1.00 0.00 C ATOM 1368 CG LEU A 86 11.152 -9.303 -1.135 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.618 -9.691 -1.145 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.507 -9.624 -2.472 1.00 0.00 C ATOM 0 H LEU A 86 10.104 -7.812 1.002 1.00 0.00 H new ATOM 0 HA LEU A 86 8.454 -9.388 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.032 -9.977 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.326 -11.078 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 86 11.081 -8.229 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.128 -9.167 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.073 -9.419 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.709 -10.767 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.039 -9.102 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.553 -10.698 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.466 -9.302 -2.460 1.00 0.00 H new ATOM 1382 N LYS A 87 8.403 -10.197 2.541 1.00 0.00 N ATOM 1383 CA LYS A 87 7.722 -11.025 3.537 1.00 0.00 C ATOM 1384 C LYS A 87 6.216 -10.773 3.517 1.00 0.00 C ATOM 1385 O LYS A 87 5.444 -11.502 4.135 1.00 0.00 O ATOM 1386 CB LYS A 87 8.280 -10.747 4.937 1.00 0.00 C ATOM 1387 CG LYS A 87 9.685 -11.286 5.149 1.00 0.00 C ATOM 1388 CD LYS A 87 10.227 -10.922 6.522 1.00 0.00 C ATOM 1389 CE LYS A 87 11.607 -11.517 6.747 1.00 0.00 C ATOM 1390 NZ LYS A 87 12.162 -11.158 8.079 1.00 0.00 N ATOM 0 H LYS A 87 8.956 -9.436 2.935 1.00 0.00 H new ATOM 0 HA LYS A 87 7.902 -12.070 3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.282 -9.671 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.614 -11.189 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.680 -12.370 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.347 -10.889 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.276 -9.838 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.544 -11.281 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.552 -12.602 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.283 -11.167 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.104 -11.585 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.240 -10.124 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.531 -11.514 8.825 1.00 0.00 H new ATOM 1404 N CYS A 88 5.810 -9.738 2.802 1.00 0.00 N ATOM 1405 CA CYS A 88 4.404 -9.382 2.687 1.00 0.00 C ATOM 1406 C CYS A 88 3.899 -9.609 1.260 1.00 0.00 C ATOM 1407 O CYS A 88 2.697 -9.533 0.994 1.00 0.00 O ATOM 1408 CB CYS A 88 4.206 -7.924 3.105 1.00 0.00 C ATOM 1409 SG CYS A 88 4.230 -7.654 4.911 1.00 0.00 S ATOM 0 H CYS A 88 6.440 -9.123 2.287 1.00 0.00 H new ATOM 0 HA CYS A 88 3.824 -10.023 3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.987 -7.317 2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.254 -7.570 2.708 1.00 0.00 H new ATOM 1414 N VAL A 89 4.827 -9.889 0.345 1.00 0.00 N ATOM 1415 CA VAL A 89 4.493 -10.124 -1.054 1.00 0.00 C ATOM 1416 C VAL A 89 3.958 -11.538 -1.263 1.00 0.00 C ATOM 1417 O VAL A 89 4.715 -12.511 -1.224 1.00 0.00 O ATOM 1418 CB VAL A 89 5.722 -9.912 -1.964 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.389 -10.259 -3.403 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.233 -8.483 -1.866 1.00 0.00 C ATOM 0 H VAL A 89 5.823 -9.958 0.553 1.00 0.00 H new ATOM 0 HA VAL A 89 3.720 -9.404 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 89 6.513 -10.579 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.268 -10.103 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.082 -11.303 -3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.577 -9.621 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.099 -8.361 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.447 -7.794 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.520 -8.269 -0.836 1.00 0.00 H new ATOM 1430 N ASP A 90 2.657 -11.644 -1.489 1.00 0.00 N ATOM 1431 CA ASP A 90 2.018 -12.942 -1.709 1.00 0.00 C ATOM 1432 C ASP A 90 1.634 -13.126 -3.170 1.00 0.00 C ATOM 1433 O ASP A 90 1.722 -12.196 -3.973 1.00 0.00 O ATOM 1434 CB ASP A 90 0.757 -13.106 -0.853 1.00 0.00 C ATOM 1435 CG ASP A 90 1.034 -13.175 0.632 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.317 -12.498 1.397 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.957 -13.911 1.046 1.00 0.00 O ATOM 0 H ASP A 90 2.019 -10.849 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 90 2.749 -13.697 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.084 -12.271 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.237 -14.014 -1.159 1.00 0.00 H new ATOM 1442 N LYS A 91 1.199 -14.338 -3.493 1.00 0.00 N ATOM 1443 CA LYS A 91 0.722 -14.675 -4.829 1.00 0.00 C ATOM 1444 C LYS A 91 -0.767 -14.367 -4.946 1.00 0.00 C ATOM 1445 O LYS A 91 -1.486 -14.350 -3.944 1.00 0.00 O ATOM 1446 CB LYS A 91 0.952 -16.160 -5.106 1.00 0.00 C ATOM 1447 CG LYS A 91 2.313 -16.655 -4.660 1.00 0.00 C ATOM 1448 CD LYS A 91 2.461 -18.161 -4.841 1.00 0.00 C ATOM 1449 CE LYS A 91 2.311 -18.583 -6.296 1.00 0.00 C ATOM 1450 NZ LYS A 91 3.326 -17.944 -7.172 1.00 0.00 N ATOM 0 H LYS A 91 1.167 -15.116 -2.835 1.00 0.00 H new ATOM 0 HA LYS A 91 1.273 -14.079 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.180 -16.740 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.840 -16.344 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.089 -16.144 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.466 -16.399 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.437 -18.475 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.712 -18.673 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.401 -19.667 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.313 -18.321 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.286 -18.372 -8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.131 -16.925 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.273 -18.087 -6.767 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.225 -14.144 -6.169 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.631 -13.840 -6.421 1.00 0.00 C ATOM 1466 C ASN A 92 -3.459 -15.116 -6.462 1.00 0.00 C ATOM 1467 O ASN A 92 -3.888 -15.567 -7.528 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.791 -13.086 -7.739 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.220 -12.623 -7.988 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.993 -12.400 -7.056 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.575 -12.475 -9.257 1.00 0.00 N ATOM 0 H ASN A 92 -0.643 -14.167 -7.007 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.988 -13.211 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.129 -12.220 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.475 -13.729 -8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.519 -12.166 -9.490 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.904 -12.670 -10.000 1.00 0.00 H new ATOM 1478 N THR A 93 -3.659 -15.711 -5.302 1.00 0.00 N ATOM 1479 CA THR A 93 -4.518 -16.873 -5.175 1.00 0.00 C ATOM 1480 C THR A 93 -5.952 -16.434 -4.906 1.00 0.00 C ATOM 1481 O THR A 93 -6.894 -17.227 -4.993 1.00 0.00 O ATOM 1482 CB THR A 93 -4.033 -17.787 -4.036 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.945 -17.040 -2.815 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.673 -18.376 -4.366 1.00 0.00 C ATOM 0 H THR A 93 -3.234 -15.406 -4.426 1.00 0.00 H new ATOM 0 HA THR A 93 -4.480 -17.432 -6.110 1.00 0.00 H new ATOM 0 HB THR A 93 -4.750 -18.599 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.637 -17.628 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.347 -19.019 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.743 -18.961 -5.283 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.951 -17.571 -4.504 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.100 -15.153 -4.589 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.397 -14.571 -4.260 1.00 0.00 C ATOM 1494 C ASP A 94 -8.234 -14.360 -5.509 1.00 0.00 C ATOM 1495 O ASP A 94 -9.464 -14.352 -5.451 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.217 -13.224 -3.554 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.332 -13.317 -2.333 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -5.097 -13.404 -2.494 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.862 -13.285 -1.202 1.00 0.00 O ATOM 0 H ASP A 94 -5.326 -14.489 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.910 -15.269 -3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.789 -12.506 -4.254 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.194 -12.839 -3.261 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.542 -14.188 -6.638 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.175 -13.878 -7.920 1.00 0.00 C ATOM 1506 C ASN A 95 -8.916 -12.548 -7.848 1.00 0.00 C ATOM 1507 O ASN A 95 -9.880 -12.311 -8.575 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.124 -14.998 -8.359 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.397 -16.245 -8.821 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.268 -16.520 -8.410 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.049 -17.026 -9.666 1.00 0.00 N ATOM 0 H ASN A 95 -6.526 -14.260 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.386 -13.796 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.782 -15.255 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.758 -14.633 -9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.618 -17.889 -9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.982 -16.766 -9.985 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.444 -11.679 -6.966 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.065 -10.382 -6.744 1.00 0.00 C ATOM 1520 C ASN A 96 -8.000 -9.359 -6.373 1.00 0.00 C ATOM 1521 O ASN A 96 -7.421 -9.416 -5.286 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.126 -10.496 -5.638 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.626 -9.150 -5.135 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.631 -8.156 -5.861 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.059 -9.112 -3.884 1.00 0.00 N ATOM 0 H ASN A 96 -7.623 -11.852 -6.386 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.557 -10.051 -7.659 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.972 -11.071 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.708 -11.055 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.412 -8.239 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.040 -9.956 -3.312 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.749 -8.431 -7.288 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.694 -7.439 -7.125 1.00 0.00 C ATOM 1534 C ALA A 97 -6.911 -6.579 -5.887 1.00 0.00 C ATOM 1535 O ALA A 97 -5.950 -6.158 -5.244 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.600 -6.562 -8.362 1.00 0.00 C ATOM 0 H ALA A 97 -8.269 -8.345 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.755 -7.977 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.808 -5.825 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.375 -7.181 -9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.549 -6.049 -8.518 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.171 -6.323 -5.546 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.483 -5.512 -4.375 1.00 0.00 C ATOM 1544 C CYS A 98 -7.971 -6.179 -3.100 1.00 0.00 C ATOM 1545 O CYS A 98 -7.424 -5.517 -2.223 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.989 -5.261 -4.257 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.735 -4.455 -5.710 1.00 0.00 S ATOM 0 H CYS A 98 -8.985 -6.662 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.981 -4.553 -4.501 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.491 -6.213 -4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.174 -4.642 -3.379 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.118 -7.498 -3.011 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.717 -8.216 -1.805 1.00 0.00 C ATOM 1554 C HIS A 99 -6.222 -8.513 -1.839 1.00 0.00 C ATOM 1555 O HIS A 99 -5.573 -8.608 -0.799 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.513 -9.518 -1.662 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.541 -10.059 -0.260 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.039 -11.294 0.089 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -9.035 -9.524 0.883 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.226 -11.492 1.380 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.827 -10.436 1.886 1.00 0.00 N ATOM 0 H HIS A 99 -8.507 -8.085 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.930 -7.585 -0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.536 -9.346 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.084 -10.270 -2.324 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.593 -11.952 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.506 -8.557 0.985 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.934 -12.374 1.930 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.687 -8.649 -3.048 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.267 -8.938 -3.242 1.00 0.00 C ATOM 1572 C TRP A 100 -3.415 -7.767 -2.750 1.00 0.00 C ATOM 1573 O TRP A 100 -2.540 -7.932 -1.894 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.991 -9.220 -4.730 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.589 -9.679 -5.028 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.635 -10.062 -4.128 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.994 -9.821 -6.326 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.485 -10.421 -4.785 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.679 -10.287 -6.133 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.443 -9.599 -7.634 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.189 -10.536 -7.194 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.581 -9.847 -8.686 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.279 -10.311 -8.463 1.00 0.00 C ATOM 0 H TRP A 100 -6.218 -8.563 -3.915 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.001 -9.822 -2.662 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.690 -9.980 -5.079 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.193 -8.314 -5.302 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.767 -10.080 -3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.377 -10.737 -4.340 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.445 -9.240 -7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.194 -10.893 -7.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.918 -9.680 -9.698 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.369 -10.495 -9.307 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.698 -6.582 -3.279 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.956 -5.381 -2.923 1.00 0.00 C ATOM 1596 C ALA A 101 -3.178 -5.015 -1.463 1.00 0.00 C ATOM 1597 O ALA A 101 -2.256 -4.577 -0.771 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.371 -4.226 -3.824 1.00 0.00 C ATOM 0 H ALA A 101 -4.441 -6.428 -3.960 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.894 -5.580 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.811 -3.332 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.162 -4.482 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.438 -4.037 -3.705 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.402 -5.218 -0.995 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.772 -4.842 0.358 1.00 0.00 C ATOM 1606 C PHE A 102 -4.036 -5.689 1.393 1.00 0.00 C ATOM 1607 O PHE A 102 -3.678 -5.196 2.461 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.284 -4.954 0.547 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.765 -4.511 1.904 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.234 -5.431 2.831 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.749 -3.168 2.249 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.679 -5.018 4.074 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.190 -2.751 3.490 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.656 -3.676 4.403 1.00 0.00 C ATOM 0 H PHE A 102 -5.156 -5.642 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.476 -3.804 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.781 -4.356 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.584 -5.989 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.252 -6.481 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.387 -2.439 1.539 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.044 -5.743 4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.170 -1.702 3.746 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.002 -3.351 5.373 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.790 -6.958 1.069 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.113 -7.850 2.002 1.00 0.00 C ATOM 1626 C ARG A 103 -1.644 -7.470 2.120 1.00 0.00 C ATOM 1627 O ARG A 103 -1.060 -7.552 3.199 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.248 -9.313 1.581 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.684 -10.266 2.619 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.984 -11.717 2.294 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.499 -12.099 0.970 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.293 -12.544 -0.002 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -4.583 -12.738 0.231 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.800 -12.826 -1.200 1.00 0.00 N ATOM 0 H ARG A 103 -4.046 -7.385 0.179 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.592 -7.739 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.300 -9.544 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.732 -9.465 0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.605 -10.127 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.100 -10.022 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.524 -12.358 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.060 -11.884 2.347 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.500 -12.021 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.969 -12.546 1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.190 -13.079 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.804 -12.703 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.416 -13.166 -1.938 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.057 -7.038 1.009 1.00 0.00 N ATOM 1649 CA GLY A 104 0.323 -6.586 1.027 1.00 0.00 C ATOM 1650 C GLY A 104 0.496 -5.364 1.908 1.00 0.00 C ATOM 1651 O GLY A 104 1.407 -5.303 2.738 1.00 0.00 O ATOM 0 H GLY A 104 -1.511 -6.993 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.965 -7.389 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.644 -6.352 0.012 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.402 -4.404 1.741 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.362 -3.164 2.502 1.00 0.00 C ATOM 1657 C PHE A 105 -0.619 -3.427 3.986 1.00 0.00 C ATOM 1658 O PHE A 105 0.119 -2.950 4.851 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.394 -2.184 1.930 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.628 -0.956 2.768 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.558 -0.208 3.233 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -2.915 -0.538 3.073 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.767 0.928 3.988 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.128 0.597 3.830 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.053 1.331 4.288 1.00 0.00 C ATOM 0 H PHE A 105 -1.175 -4.462 1.078 1.00 0.00 H new ATOM 0 HA PHE A 105 0.631 -2.724 2.416 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.068 -1.873 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.342 -2.708 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.451 -0.518 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.760 -1.107 2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.076 1.502 4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.135 0.910 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.217 2.219 4.880 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.647 -4.220 4.264 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.067 -4.495 5.636 1.00 0.00 C ATOM 1677 C LYS A 106 -0.995 -5.284 6.392 1.00 0.00 C ATOM 1678 O LYS A 106 -0.759 -5.054 7.579 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.417 -5.232 5.635 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.745 -5.953 6.927 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.115 -6.606 6.859 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.491 -7.264 8.178 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.501 -8.287 8.601 1.00 0.00 N ATOM 0 H LYS A 106 -2.210 -4.688 3.553 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.196 -3.548 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.208 -4.512 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.420 -5.956 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.987 -6.711 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.716 -5.248 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.863 -5.857 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.123 -7.352 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.574 -6.500 8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.472 -7.729 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.879 -8.824 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.313 -8.936 7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.616 -7.818 8.882 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.337 -6.197 5.686 1.00 0.00 N ATOM 1698 CA CYS A 107 0.735 -7.004 6.260 1.00 0.00 C ATOM 1699 C CYS A 107 1.906 -6.133 6.705 1.00 0.00 C ATOM 1700 O CYS A 107 2.493 -6.352 7.768 1.00 0.00 O ATOM 1701 CB CYS A 107 1.211 -8.036 5.227 1.00 0.00 C ATOM 1702 SG CYS A 107 2.780 -8.876 5.645 1.00 0.00 S ATOM 0 H CYS A 107 -0.530 -6.398 4.705 1.00 0.00 H new ATOM 0 HA CYS A 107 0.346 -7.517 7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.434 -8.790 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.328 -7.538 4.264 1.00 0.00 H new ATOM 1707 N PHE A 108 2.228 -5.138 5.887 1.00 0.00 N ATOM 1708 CA PHE A 108 3.408 -4.320 6.104 1.00 0.00 C ATOM 1709 C PHE A 108 3.185 -3.296 7.216 1.00 0.00 C ATOM 1710 O PHE A 108 4.004 -3.186 8.132 1.00 0.00 O ATOM 1711 CB PHE A 108 3.793 -3.623 4.799 1.00 0.00 C ATOM 1712 CG PHE A 108 5.165 -3.009 4.818 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.359 -1.709 5.260 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.265 -3.738 4.389 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.623 -1.150 5.274 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.527 -3.182 4.402 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.707 -1.887 4.845 1.00 0.00 C ATOM 0 H PHE A 108 1.683 -4.880 5.064 1.00 0.00 H new ATOM 0 HA PHE A 108 4.224 -4.969 6.422 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.740 -4.345 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.060 -2.845 4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.514 -1.127 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.131 -4.752 4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.762 -0.137 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.375 -3.760 4.065 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.695 -1.452 4.856 1.00 0.00 H new ATOM 1727 N GLN A 109 2.071 -2.564 7.156 1.00 0.00 N ATOM 1728 CA GLN A 109 1.804 -1.503 8.123 1.00 0.00 C ATOM 1729 C GLN A 109 1.630 -2.065 9.530 1.00 0.00 C ATOM 1730 O GLN A 109 1.846 -1.364 10.518 1.00 0.00 O ATOM 1731 CB GLN A 109 0.561 -0.709 7.736 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.700 -1.544 7.637 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.963 -0.706 7.727 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.984 0.454 7.325 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.023 -1.284 8.273 1.00 0.00 N ATOM 0 H GLN A 109 1.344 -2.687 6.451 1.00 0.00 H new ATOM 0 HA GLN A 109 2.668 -0.838 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.404 0.081 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.738 -0.222 6.777 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.697 -2.090 6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.703 -2.287 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.968 -2.250 8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.894 -0.763 8.371 1.00 0.00 H new ATOM 1744 N LYS A 110 1.261 -3.338 9.609 1.00 0.00 N ATOM 1745 CA LYS A 110 1.040 -4.000 10.883 1.00 0.00 C ATOM 1746 C LYS A 110 2.336 -4.073 11.688 1.00 0.00 C ATOM 1747 O LYS A 110 2.315 -4.215 12.911 1.00 0.00 O ATOM 1748 CB LYS A 110 0.484 -5.402 10.638 1.00 0.00 C ATOM 1749 CG LYS A 110 0.005 -6.094 11.895 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.362 -7.546 11.631 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.802 -8.250 12.903 1.00 0.00 C ATOM 1752 NZ LYS A 110 0.277 -8.281 13.927 1.00 0.00 N ATOM 0 H LYS A 110 1.108 -3.935 8.796 1.00 0.00 H new ATOM 0 HA LYS A 110 0.319 -3.423 11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.344 -5.337 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.256 -6.013 10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.784 -6.048 12.656 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.861 -5.566 12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.163 -7.591 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.495 -8.067 11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.676 -7.744 13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.106 -9.270 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.021 -8.950 14.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.168 -8.583 13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.398 -7.331 14.333 1.00 0.00 H new ATOM 1766 N ASN A 111 3.465 -3.974 10.998 1.00 0.00 N ATOM 1767 CA ASN A 111 4.763 -3.990 11.661 1.00 0.00 C ATOM 1768 C ASN A 111 5.486 -2.667 11.453 1.00 0.00 C ATOM 1769 O ASN A 111 6.187 -2.185 12.341 1.00 0.00 O ATOM 1770 CB ASN A 111 5.641 -5.127 11.133 1.00 0.00 C ATOM 1771 CG ASN A 111 4.989 -6.491 11.238 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.168 -6.740 12.119 1.00 0.00 O ATOM 1773 ND2 ASN A 111 5.356 -7.388 10.336 1.00 0.00 N ATOM 0 H ASN A 111 3.509 -3.882 9.983 1.00 0.00 H new ATOM 0 HA ASN A 111 4.583 -4.146 12.725 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.888 -4.930 10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.580 -5.138 11.687 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.954 -8.325 10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 111 6.040 -7.142 9.621 1.00 0.00 H new ATOM 1780 N ASN A 112 5.295 -2.075 10.282 1.00 0.00 N ATOM 1781 CA ASN A 112 6.076 -0.915 9.872 1.00 0.00 C ATOM 1782 C ASN A 112 5.180 0.186 9.312 1.00 0.00 C ATOM 1783 O ASN A 112 5.200 0.455 8.112 1.00 0.00 O ATOM 1784 CB ASN A 112 7.092 -1.330 8.804 1.00 0.00 C ATOM 1785 CG ASN A 112 8.136 -2.304 9.312 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.629 -2.182 10.431 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.455 -3.303 8.501 1.00 0.00 N ATOM 0 H ASN A 112 4.604 -2.380 9.597 1.00 0.00 H new ATOM 0 HA ASN A 112 6.592 -0.527 10.751 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.562 -1.782 7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.592 -0.439 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.132 -4.005 8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.023 -3.369 7.579 1.00 0.00 H new ATOM 1794 N LEU A 113 4.395 0.824 10.171 1.00 0.00 N ATOM 1795 CA LEU A 113 3.493 1.884 9.721 1.00 0.00 C ATOM 1796 C LEU A 113 4.185 3.245 9.739 1.00 0.00 C ATOM 1797 O LEU A 113 3.913 4.104 8.896 1.00 0.00 O ATOM 1798 CB LEU A 113 2.221 1.925 10.571 1.00 0.00 C ATOM 1799 CG LEU A 113 1.278 3.092 10.275 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.746 3.001 8.853 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.135 3.106 11.272 1.00 0.00 C ATOM 0 H LEU A 113 4.362 0.631 11.172 1.00 0.00 H new ATOM 0 HA LEU A 113 3.212 1.657 8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.676 0.992 10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.507 1.967 11.622 1.00 0.00 H new ATOM 0 HG LEU A 113 1.835 4.024 10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.077 3.840 8.661 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.579 3.032 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.201 2.066 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.530 3.941 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.421 2.171 11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.533 3.216 12.281 1.00 0.00 H new ATOM 1813 N SER A 114 5.091 3.436 10.689 1.00 0.00 N ATOM 1814 CA SER A 114 5.814 4.698 10.806 1.00 0.00 C ATOM 1815 C SER A 114 6.654 4.933 9.555 1.00 0.00 C ATOM 1816 O SER A 114 6.789 6.064 9.084 1.00 0.00 O ATOM 1817 CB SER A 114 6.705 4.689 12.054 1.00 0.00 C ATOM 1818 OG SER A 114 7.332 5.946 12.254 1.00 0.00 O ATOM 0 H SER A 114 5.343 2.737 11.388 1.00 0.00 H new ATOM 0 HA SER A 114 5.093 5.510 10.904 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.105 4.437 12.929 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.465 3.914 11.954 1.00 0.00 H new ATOM 0 HG SER A 114 7.892 5.908 13.058 1.00 0.00 H new ATOM 1824 N LEU A 115 7.189 3.849 9.001 1.00 0.00 N ATOM 1825 CA LEU A 115 7.977 3.919 7.786 1.00 0.00 C ATOM 1826 C LEU A 115 7.114 4.381 6.623 1.00 0.00 C ATOM 1827 O LEU A 115 7.567 5.120 5.754 1.00 0.00 O ATOM 1828 CB LEU A 115 8.570 2.554 7.472 1.00 0.00 C ATOM 1829 CG LEU A 115 9.584 2.542 6.335 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.813 3.336 6.736 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.955 1.115 5.956 1.00 0.00 C ATOM 0 H LEU A 115 7.087 2.908 9.381 1.00 0.00 H new ATOM 0 HA LEU A 115 8.784 4.637 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.049 2.167 8.371 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.759 1.870 7.223 1.00 0.00 H new ATOM 0 HG LEU A 115 9.137 3.010 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.536 3.325 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.527 4.365 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.261 2.889 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.680 1.131 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.389 0.611 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.061 0.580 5.635 1.00 0.00 H new ATOM 1843 N ILE A 116 5.860 3.951 6.629 1.00 0.00 N ATOM 1844 CA ILE A 116 4.921 4.318 5.586 1.00 0.00 C ATOM 1845 C ILE A 116 4.644 5.816 5.635 1.00 0.00 C ATOM 1846 O ILE A 116 4.609 6.490 4.607 1.00 0.00 O ATOM 1847 CB ILE A 116 3.597 3.533 5.721 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.859 2.031 5.581 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.590 4.003 4.684 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.611 1.185 5.687 1.00 0.00 C ATOM 0 H ILE A 116 5.471 3.344 7.351 1.00 0.00 H new ATOM 0 HA ILE A 116 5.369 4.064 4.625 1.00 0.00 H new ATOM 0 HB ILE A 116 3.177 3.721 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.335 1.842 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.564 1.721 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.664 3.439 4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.388 5.064 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.995 3.843 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.874 0.133 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.145 1.344 6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.912 1.467 4.900 1.00 0.00 H new ATOM 1862 N LYS A 117 4.485 6.334 6.842 1.00 0.00 N ATOM 1863 CA LYS A 117 4.254 7.756 7.039 1.00 0.00 C ATOM 1864 C LYS A 117 5.492 8.563 6.653 1.00 0.00 C ATOM 1865 O LYS A 117 5.388 9.659 6.104 1.00 0.00 O ATOM 1866 CB LYS A 117 3.882 8.037 8.494 1.00 0.00 C ATOM 1867 CG LYS A 117 2.517 7.490 8.893 1.00 0.00 C ATOM 1868 CD LYS A 117 2.184 7.819 10.341 1.00 0.00 C ATOM 1869 CE LYS A 117 0.791 7.340 10.726 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.435 7.733 12.115 1.00 0.00 N ATOM 0 H LYS A 117 4.512 5.789 7.703 1.00 0.00 H new ATOM 0 HA LYS A 117 3.427 8.059 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.642 7.603 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.895 9.114 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.752 7.908 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.502 6.409 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.921 7.356 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.253 8.896 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.060 7.755 10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.741 6.255 10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.520 7.389 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.118 7.316 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.458 8.769 12.199 1.00 0.00 H new ATOM 1884 N ALA A 118 6.661 8.004 6.939 1.00 0.00 N ATOM 1885 CA ALA A 118 7.926 8.676 6.673 1.00 0.00 C ATOM 1886 C ALA A 118 8.340 8.578 5.205 1.00 0.00 C ATOM 1887 O ALA A 118 9.139 9.384 4.729 1.00 0.00 O ATOM 1888 CB ALA A 118 9.007 8.095 7.559 1.00 0.00 C ATOM 0 H ALA A 118 6.759 7.079 7.359 1.00 0.00 H new ATOM 0 HA ALA A 118 7.790 9.734 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.952 8.599 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.735 8.237 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.113 7.030 7.353 1.00 0.00 H new ATOM 1894 N SER A 119 7.807 7.590 4.495 1.00 0.00 N ATOM 1895 CA SER A 119 8.150 7.393 3.091 1.00 0.00 C ATOM 1896 C SER A 119 7.549 8.497 2.223 1.00 0.00 C ATOM 1897 O SER A 119 8.112 8.872 1.194 1.00 0.00 O ATOM 1898 CB SER A 119 7.676 6.017 2.607 1.00 0.00 C ATOM 1899 OG SER A 119 6.262 5.923 2.584 1.00 0.00 O ATOM 0 H SER A 119 7.138 6.915 4.866 1.00 0.00 H new ATOM 0 HA SER A 119 9.235 7.439 3.000 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.069 5.829 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.081 5.243 3.260 1.00 0.00 H new ATOM 0 HG SER A 119 5.902 6.188 3.456 1.00 0.00 H new ATOM 1905 N ILE A 120 6.403 9.012 2.646 1.00 0.00 N ATOM 1906 CA ILE A 120 5.734 10.083 1.924 1.00 0.00 C ATOM 1907 C ILE A 120 6.053 11.444 2.545 1.00 0.00 C ATOM 1908 O ILE A 120 5.668 12.488 2.016 1.00 0.00 O ATOM 1909 CB ILE A 120 4.205 9.871 1.900 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.651 9.765 3.321 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.861 8.622 1.104 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.142 9.814 3.385 1.00 0.00 C ATOM 0 H ILE A 120 5.917 8.704 3.488 1.00 0.00 H new ATOM 0 HA ILE A 120 6.106 10.064 0.900 1.00 0.00 H new ATOM 0 HB ILE A 120 3.745 10.733 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.996 8.833 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.059 10.577 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.780 8.483 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.222 8.731 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.334 7.755 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.819 9.734 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.791 10.758 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.726 8.986 2.811 1.00 0.00 H new ATOM 1924 N LYS A 121 6.748 11.419 3.673 1.00 0.00 N ATOM 1925 CA LYS A 121 7.122 12.635 4.376 1.00 0.00 C ATOM 1926 C LYS A 121 8.486 13.120 3.903 1.00 0.00 C ATOM 1927 O LYS A 121 9.483 12.408 4.062 1.00 0.00 O ATOM 1928 CB LYS A 121 7.155 12.366 5.880 1.00 0.00 C ATOM 1929 CG LYS A 121 7.390 13.606 6.728 1.00 0.00 C ATOM 1930 CD LYS A 121 7.373 13.281 8.215 1.00 0.00 C ATOM 1931 CE LYS A 121 8.486 12.314 8.599 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.475 11.993 10.051 1.00 0.00 N ATOM 0 H LYS A 121 7.066 10.561 4.123 1.00 0.00 H new ATOM 0 HA LYS A 121 6.385 13.410 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.211 11.909 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 121 7.940 11.640 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.349 14.052 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.622 14.348 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.478 14.202 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.409 12.848 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.380 11.394 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.450 12.747 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.249 11.332 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.603 12.867 10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 7.566 11.555 10.303 1.00 0.00 H new ATOM 1946 N LYS A 122 8.520 14.332 3.341 1.00 0.00 N ATOM 1947 CA LYS A 122 9.745 14.920 2.793 1.00 0.00 C ATOM 1948 C LYS A 122 10.184 14.195 1.521 1.00 0.00 C ATOM 1949 O LYS A 122 10.080 12.974 1.414 1.00 0.00 O ATOM 1950 CB LYS A 122 10.866 14.922 3.845 1.00 0.00 C ATOM 1951 CG LYS A 122 12.275 14.829 3.276 1.00 0.00 C ATOM 1952 CD LYS A 122 13.295 14.475 4.345 1.00 0.00 C ATOM 1953 CE LYS A 122 14.665 14.245 3.734 1.00 0.00 C ATOM 1954 NZ LYS A 122 15.645 13.722 4.722 1.00 0.00 N ATOM 0 H LYS A 122 7.700 14.932 3.253 1.00 0.00 H new ATOM 0 HA LYS A 122 9.532 15.955 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.788 15.834 4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.708 14.085 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 122 12.299 14.077 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.545 15.780 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 122 13.351 15.278 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.974 13.579 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.577 13.542 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 122 15.037 15.182 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.565 13.581 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 15.751 14.404 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.306 12.815 5.100 1.00 0.00 H new ATOM 1968 N ASP A 123 10.654 14.953 0.550 1.00 0.00 N ATOM 1969 CA ASP A 123 11.174 14.369 -0.671 1.00 0.00 C ATOM 1970 C ASP A 123 12.651 14.026 -0.492 1.00 0.00 C ATOM 1971 O ASP A 123 13.481 14.945 -0.401 1.00 0.00 O ATOM 1972 CB ASP A 123 10.950 15.297 -1.879 1.00 0.00 C ATOM 1973 CG ASP A 123 11.688 16.620 -1.792 1.00 0.00 C ATOM 1974 OD1 ASP A 123 12.609 16.848 -2.611 1.00 0.00 O ATOM 1975 OD2 ASP A 123 11.336 17.450 -0.925 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.975 12.822 -0.407 1.00 0.00 O ATOM 0 H ASP A 123 10.687 15.972 0.582 1.00 0.00 H new ATOM 0 HA ASP A 123 10.628 13.448 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.263 14.778 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 123 9.883 15.495 -1.978 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.563 6.938 2.420 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.978 5.636 1.916 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.806 5.931 0.981 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.099 4.645 0.545 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.426 4.006 1.726 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.181 4.309 1.999 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.519 5.377 1.191 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.780 5.821 1.882 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.931 5.277 1.568 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.003 4.253 0.470 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.394 3.678 0.391 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.564 2.389 0.244 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.383 1.483 0.042 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.913 0.982 1.383 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.855 -0.304 1.617 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.361 -1.277 0.587 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.477 -2.669 1.200 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.705 -3.726 0.122 1.00 0.00 C HETATM 2000 C19 ACD A 201 3.911 -5.104 0.751 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.017 -6.186 -0.319 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.739 7.081 3.642 1.00 0.00 O HETATM 2003 O2 ACD A 201 -4.858 7.821 1.594 1.00 0.00 O HETATM 0 H203 ACD A 201 3.100 -6.206 -0.909 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.863 -5.971 -0.971 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.163 -7.156 0.157 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.816 -5.098 1.358 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.080 -5.330 1.420 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.850 -3.753 -0.554 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.576 -3.460 -0.477 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.301 -2.688 1.913 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.569 -2.902 1.756 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.684 -1.301 -0.267 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.332 -0.952 0.214 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.579 2.019 -0.462 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.657 0.644 -0.598 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.282 3.457 0.656 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.735 4.710 -0.483 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.835 5.567 2.103 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.736 6.597 2.646 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.757 4.993 0.199 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.146 6.230 1.052 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.346 3.795 2.803 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.969 3.296 2.350 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.820 3.954 0.108 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.363 4.868 -0.227 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.166 6.466 0.102 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.094 6.586 1.483 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.643 5.027 2.755 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.741 5.062 1.390 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.441 -0.670 2.557 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.621 1.691 2.158 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.570 1.970 0.268 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.260 4.337 0.456 1.00 0.00 H new