USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=31 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 Set 1.1: A 111 ASN : amide:sc= -0.15 X(o=0.8,f=1.1) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.955 K(o=0.8,f=-0.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.151) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 170:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00973 K(o=-0.0097,f=-0.95) USER MOD Single : A 14 TYR OH : rot -63:sc= 0.0176 USER MOD Single : A 16 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -80:sc= 0.189 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -0.04 (180deg=-0.308) USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= -0.0771 (180deg=-0.371) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 43 THR OG1 : rot -15:sc= 0.0267 USER MOD Single : A 44 MET CE :methyl -142:sc= 0 (180deg=-0.438) USER MOD Single : A 46 TYR OH : rot 172:sc= 0.345 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.19) USER MOD Single : A 52 ASN :FLIP amide:sc=-0.00582 F(o=-0.82,f=-0.0058) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.12) USER MOD Single : A 54 MET CE :methyl -176:sc= -2.4! (180deg=-2.42) USER MOD Single : A 55 GLN : amide:sc= -0.515 K(o=-0.51,f=-3.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.308 K(o=0.31,f=-1.5!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.401 F(o=-1.3,f=0.4) USER MOD Single : A 71 GLN : amide:sc= -2.07 K(o=-2.1,f=-2.7) USER MOD Single : A 74 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=0) USER MOD Single : A 83 THR OG1 : rot 81:sc= 0.0497 USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.0379 (180deg=-0.357) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0371 (180deg=-0.239) USER MOD Single : A 92 ASN : amide:sc= 0.822 K(o=0.82,f=-5.7!) USER MOD Single : A 93 THR OG1 : rot -16:sc= 0.164 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.281 F(o=-1.2,f=-0.28) USER MOD Single : A 96 ASN : amide:sc= -0.67 K(o=-0.67,f=-2.9!) USER MOD Single : A 99 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.0056) USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.16) USER MOD Single : A 109 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.241) 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 71:sc= -3.76! 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 13.787 13.809 -14.516 1.00 0.00 N ATOM 2 CA MET A 1 15.212 13.815 -14.118 1.00 0.00 C ATOM 3 C MET A 1 15.345 13.549 -12.627 1.00 0.00 C ATOM 4 O MET A 1 15.967 12.569 -12.216 1.00 0.00 O ATOM 5 CB MET A 1 15.868 15.156 -14.469 1.00 0.00 C ATOM 6 CG MET A 1 15.898 15.452 -15.960 1.00 0.00 C ATOM 7 SD MET A 1 16.668 17.039 -16.340 1.00 0.00 S ATOM 8 CE MET A 1 16.527 17.060 -18.125 1.00 0.00 C ATOM 0 H1 MET A 1 13.716 13.805 -15.554 1.00 0.00 H new ATOM 0 H2 MET A 1 13.323 12.960 -14.134 1.00 0.00 H new ATOM 0 H3 MET A 1 13.318 14.658 -14.141 1.00 0.00 H new ATOM 0 HA MET A 1 15.722 13.024 -14.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.332 15.957 -13.960 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.889 15.162 -14.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.440 14.658 -16.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.879 15.445 -16.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.960 17.982 -18.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.059 16.205 -18.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.476 17.006 -18.408 1.00 0.00 H new ATOM 20 N GLU A 2 14.754 14.421 -11.818 1.00 0.00 N ATOM 21 CA GLU A 2 14.802 14.268 -10.374 1.00 0.00 C ATOM 22 C GLU A 2 13.833 13.190 -9.917 1.00 0.00 C ATOM 23 O GLU A 2 12.624 13.295 -10.127 1.00 0.00 O ATOM 24 CB GLU A 2 14.480 15.585 -9.672 1.00 0.00 C ATOM 25 CG GLU A 2 15.444 16.711 -10.006 1.00 0.00 C ATOM 26 CD GLU A 2 16.877 16.375 -9.652 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.584 15.803 -10.504 1.00 0.00 O ATOM 28 OE2 GLU A 2 17.307 16.677 -8.518 1.00 0.00 O ATOM 0 H GLU A 2 14.237 15.239 -12.140 1.00 0.00 H new ATOM 0 HA GLU A 2 15.816 13.971 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.470 15.892 -9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.486 15.422 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.380 16.935 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.143 17.612 -9.472 1.00 0.00 H new ATOM 35 N PHE A 3 14.374 12.154 -9.300 1.00 0.00 N ATOM 36 CA PHE A 3 13.560 11.069 -8.779 1.00 0.00 C ATOM 37 C PHE A 3 12.731 11.564 -7.606 1.00 0.00 C ATOM 38 O PHE A 3 13.254 11.809 -6.517 1.00 0.00 O ATOM 39 CB PHE A 3 14.438 9.888 -8.357 1.00 0.00 C ATOM 40 CG PHE A 3 13.658 8.701 -7.860 1.00 0.00 C ATOM 41 CD1 PHE A 3 13.482 8.476 -6.503 1.00 0.00 C ATOM 42 CD2 PHE A 3 13.103 7.809 -8.759 1.00 0.00 C ATOM 43 CE1 PHE A 3 12.764 7.383 -6.056 1.00 0.00 C ATOM 44 CE2 PHE A 3 12.385 6.714 -8.318 1.00 0.00 C ATOM 45 CZ PHE A 3 12.215 6.501 -6.966 1.00 0.00 C ATOM 0 H PHE A 3 15.376 12.041 -9.147 1.00 0.00 H new ATOM 0 HA PHE A 3 12.889 10.725 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.050 9.580 -9.205 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.121 10.216 -7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.911 9.162 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.232 7.970 -9.819 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.632 7.219 -4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.957 6.025 -9.032 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.654 5.646 -6.619 1.00 0.00 H new ATOM 55 N THR A 4 11.446 11.729 -7.839 1.00 0.00 N ATOM 56 CA THR A 4 10.553 12.229 -6.812 1.00 0.00 C ATOM 57 C THR A 4 9.621 11.132 -6.333 1.00 0.00 C ATOM 58 O THR A 4 8.810 10.602 -7.097 1.00 0.00 O ATOM 59 CB THR A 4 9.713 13.418 -7.310 1.00 0.00 C ATOM 60 OG1 THR A 4 10.365 14.065 -8.412 1.00 0.00 O ATOM 61 CG2 THR A 4 9.519 14.419 -6.187 1.00 0.00 C ATOM 0 H THR A 4 10.995 11.524 -8.731 1.00 0.00 H new ATOM 0 HA THR A 4 11.180 12.569 -5.987 1.00 0.00 H new ATOM 0 HB THR A 4 8.744 13.042 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.818 14.818 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.924 15.258 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.003 13.938 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.490 14.781 -5.851 1.00 0.00 H new ATOM 69 N VAL A 5 9.760 10.787 -5.066 1.00 0.00 N ATOM 70 CA VAL A 5 8.878 9.821 -4.435 1.00 0.00 C ATOM 71 C VAL A 5 7.535 10.487 -4.165 1.00 0.00 C ATOM 72 O VAL A 5 7.460 11.710 -4.020 1.00 0.00 O ATOM 73 CB VAL A 5 9.468 9.264 -3.106 1.00 0.00 C ATOM 74 CG1 VAL A 5 10.978 9.130 -3.207 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.082 10.108 -1.898 1.00 0.00 C ATOM 0 H VAL A 5 10.480 11.164 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 5 8.759 8.975 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 5 9.034 8.276 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.372 8.739 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.229 8.447 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.417 10.107 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.519 9.676 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.454 11.124 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.997 10.129 -1.800 1.00 0.00 H new ATOM 85 N SER A 6 6.480 9.690 -4.157 1.00 0.00 N ATOM 86 CA SER A 6 5.149 10.194 -3.864 1.00 0.00 C ATOM 87 C SER A 6 5.103 10.769 -2.449 1.00 0.00 C ATOM 88 O SER A 6 5.272 10.042 -1.471 1.00 0.00 O ATOM 89 CB SER A 6 4.121 9.075 -4.023 1.00 0.00 C ATOM 90 OG SER A 6 4.266 8.439 -5.282 1.00 0.00 O ATOM 0 H SER A 6 6.520 8.689 -4.350 1.00 0.00 H new ATOM 0 HA SER A 6 4.907 10.991 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.245 8.344 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.114 9.483 -3.929 1.00 0.00 H new ATOM 0 HG SER A 6 3.715 7.629 -5.305 1.00 0.00 H new ATOM 96 N THR A 7 4.891 12.073 -2.353 1.00 0.00 N ATOM 97 CA THR A 7 4.909 12.759 -1.076 1.00 0.00 C ATOM 98 C THR A 7 3.496 12.917 -0.540 1.00 0.00 C ATOM 99 O THR A 7 2.539 12.666 -1.261 1.00 0.00 O ATOM 100 CB THR A 7 5.582 14.137 -1.207 1.00 0.00 C ATOM 101 OG1 THR A 7 4.902 14.930 -2.194 1.00 0.00 O ATOM 102 CG2 THR A 7 7.038 13.978 -1.607 1.00 0.00 C ATOM 0 H THR A 7 4.703 12.678 -3.152 1.00 0.00 H new ATOM 0 HA THR A 7 5.487 12.157 -0.375 1.00 0.00 H new ATOM 0 HB THR A 7 5.528 14.638 -0.240 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.338 15.805 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.500 14.961 -1.696 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.562 13.397 -0.848 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.098 13.461 -2.565 1.00 0.00 H new ATOM 110 N THR A 8 3.365 13.342 0.708 1.00 0.00 N ATOM 111 CA THR A 8 2.062 13.426 1.354 1.00 0.00 C ATOM 112 C THR A 8 1.079 14.287 0.555 1.00 0.00 C ATOM 113 O THR A 8 -0.046 13.867 0.274 1.00 0.00 O ATOM 114 CB THR A 8 2.195 13.993 2.776 1.00 0.00 C ATOM 115 OG1 THR A 8 3.150 13.228 3.523 1.00 0.00 O ATOM 116 CG2 THR A 8 0.852 13.972 3.482 1.00 0.00 C ATOM 0 H THR A 8 4.146 13.635 1.295 1.00 0.00 H new ATOM 0 HA THR A 8 1.668 12.411 1.400 1.00 0.00 H new ATOM 0 HB THR A 8 2.539 15.025 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.230 13.597 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.963 14.377 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.138 14.578 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.488 12.946 3.542 1.00 0.00 H new ATOM 124 N GLU A 9 1.521 15.478 0.179 1.00 0.00 N ATOM 125 CA GLU A 9 0.670 16.428 -0.525 1.00 0.00 C ATOM 126 C GLU A 9 0.231 15.875 -1.883 1.00 0.00 C ATOM 127 O GLU A 9 -0.925 16.025 -2.285 1.00 0.00 O ATOM 128 CB GLU A 9 1.407 17.755 -0.718 1.00 0.00 C ATOM 129 CG GLU A 9 0.505 18.908 -1.126 1.00 0.00 C ATOM 130 CD GLU A 9 -0.423 19.338 -0.009 1.00 0.00 C ATOM 131 OE1 GLU A 9 0.063 19.950 0.965 1.00 0.00 O ATOM 132 OE2 GLU A 9 -1.641 19.075 -0.097 1.00 0.00 O ATOM 0 H GLU A 9 2.470 15.812 0.351 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.220 16.595 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.915 18.015 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.178 17.624 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.119 19.755 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.086 18.614 -1.993 1.00 0.00 H new ATOM 139 N ASP A 10 1.155 15.222 -2.577 1.00 0.00 N ATOM 140 CA ASP A 10 0.890 14.704 -3.919 1.00 0.00 C ATOM 141 C ASP A 10 0.121 13.381 -3.845 1.00 0.00 C ATOM 142 O ASP A 10 -0.688 13.062 -4.720 1.00 0.00 O ATOM 143 CB ASP A 10 2.215 14.572 -4.688 1.00 0.00 C ATOM 144 CG ASP A 10 2.484 13.197 -5.269 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.308 12.458 -4.693 1.00 0.00 O ATOM 146 OD2 ASP A 10 1.921 12.876 -6.332 1.00 0.00 O ATOM 0 H ASP A 10 2.098 15.037 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 10 0.256 15.402 -4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.221 15.300 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.034 14.834 -4.018 1.00 0.00 H new ATOM 151 N LEU A 11 0.360 12.640 -2.771 1.00 0.00 N ATOM 152 CA LEU A 11 -0.376 11.412 -2.477 1.00 0.00 C ATOM 153 C LEU A 11 -1.876 11.684 -2.367 1.00 0.00 C ATOM 154 O LEU A 11 -2.702 10.836 -2.714 1.00 0.00 O ATOM 155 CB LEU A 11 0.148 10.794 -1.177 1.00 0.00 C ATOM 156 CG LEU A 11 -0.632 9.593 -0.655 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.510 8.418 -1.606 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.145 9.213 0.734 1.00 0.00 C ATOM 0 H LEU A 11 1.070 12.872 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.221 10.711 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.184 10.492 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.152 11.564 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.685 9.866 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.074 7.572 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.907 8.697 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.539 8.139 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.710 8.354 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.914 8.959 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.289 10.054 1.413 1.00 0.00 H new ATOM 170 N GLN A 12 -2.221 12.883 -1.907 1.00 0.00 N ATOM 171 CA GLN A 12 -3.619 13.267 -1.745 1.00 0.00 C ATOM 172 C GLN A 12 -4.315 13.358 -3.096 1.00 0.00 C ATOM 173 O GLN A 12 -5.535 13.195 -3.191 1.00 0.00 O ATOM 174 CB GLN A 12 -3.740 14.604 -1.019 1.00 0.00 C ATOM 175 CG GLN A 12 -3.341 14.577 0.447 1.00 0.00 C ATOM 176 CD GLN A 12 -3.584 15.911 1.122 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.493 16.653 0.741 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.790 16.222 2.129 1.00 0.00 N ATOM 0 H GLN A 12 -1.552 13.605 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.103 12.496 -1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.121 15.338 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.771 14.949 -1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.906 13.801 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.287 14.314 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.050 15.580 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.916 17.105 2.624 1.00 0.00 H new ATOM 187 N ARG A 13 -3.534 13.609 -4.139 1.00 0.00 N ATOM 188 CA ARG A 13 -4.068 13.706 -5.487 1.00 0.00 C ATOM 189 C ARG A 13 -4.583 12.347 -5.935 1.00 0.00 C ATOM 190 O ARG A 13 -5.738 12.212 -6.338 1.00 0.00 O ATOM 191 CB ARG A 13 -2.993 14.194 -6.453 1.00 0.00 C ATOM 192 CG ARG A 13 -3.513 14.461 -7.854 1.00 0.00 C ATOM 193 CD ARG A 13 -2.374 14.581 -8.851 1.00 0.00 C ATOM 194 NE ARG A 13 -1.395 15.588 -8.451 1.00 0.00 N ATOM 195 CZ ARG A 13 -0.161 15.665 -8.945 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.251 14.789 -9.858 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.660 16.615 -8.519 1.00 0.00 N ATOM 0 H ARG A 13 -2.526 13.749 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.889 14.423 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.549 15.108 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.198 13.450 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.181 13.654 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.101 15.379 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.879 13.615 -8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.777 14.837 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.674 16.275 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.379 14.055 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.197 14.851 -10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.345 17.283 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.606 16.678 -8.895 1.00 0.00 H new ATOM 211 N TYR A 14 -3.722 11.337 -5.827 1.00 0.00 N ATOM 212 CA TYR A 14 -4.069 9.984 -6.243 1.00 0.00 C ATOM 213 C TYR A 14 -5.253 9.469 -5.444 1.00 0.00 C ATOM 214 O TYR A 14 -6.167 8.854 -5.993 1.00 0.00 O ATOM 215 CB TYR A 14 -2.885 9.038 -6.056 1.00 0.00 C ATOM 216 CG TYR A 14 -1.622 9.493 -6.753 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.391 9.446 -6.110 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.661 9.973 -8.057 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.762 9.863 -6.745 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.512 10.390 -8.697 1.00 0.00 C ATOM 221 CZ TYR A 14 0.695 10.333 -8.037 1.00 0.00 C ATOM 222 OH TYR A 14 1.843 10.747 -8.675 1.00 0.00 O ATOM 0 H TYR A 14 -2.778 11.433 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.333 10.018 -7.300 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.682 8.932 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.159 8.051 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.335 9.077 -5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.606 10.020 -8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.711 9.821 -6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.559 10.759 -9.711 1.00 0.00 H new ATOM 0 HH TYR A 14 2.223 11.515 -8.199 1.00 0.00 H new ATOM 232 N ARG A 15 -5.237 9.745 -4.149 1.00 0.00 N ATOM 233 CA ARG A 15 -6.290 9.293 -3.260 1.00 0.00 C ATOM 234 C ARG A 15 -7.629 9.902 -3.661 1.00 0.00 C ATOM 235 O ARG A 15 -8.660 9.239 -3.616 1.00 0.00 O ATOM 236 CB ARG A 15 -5.921 9.620 -1.807 1.00 0.00 C ATOM 237 CG ARG A 15 -7.039 10.237 -0.979 1.00 0.00 C ATOM 238 CD ARG A 15 -6.647 10.312 0.489 1.00 0.00 C ATOM 239 NE ARG A 15 -7.688 10.910 1.315 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.806 10.696 2.621 1.00 0.00 C ATOM 241 NH1 ARG A 15 -7.002 9.831 3.233 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.742 11.332 3.312 1.00 0.00 N ATOM 0 H ARG A 15 -4.501 10.283 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.393 8.211 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.591 8.704 -1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.072 10.304 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.264 11.236 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.947 9.644 -1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.429 9.309 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.730 10.894 0.588 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.364 11.527 0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.292 9.329 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.096 9.669 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.369 11.984 2.841 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.835 11.169 4.315 1.00 0.00 H new ATOM 256 N THR A 16 -7.592 11.155 -4.090 1.00 0.00 N ATOM 257 CA THR A 16 -8.786 11.846 -4.540 1.00 0.00 C ATOM 258 C THR A 16 -9.362 11.201 -5.798 1.00 0.00 C ATOM 259 O THR A 16 -10.551 10.877 -5.848 1.00 0.00 O ATOM 260 CB THR A 16 -8.480 13.326 -4.819 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.179 14.001 -3.590 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.643 14.004 -5.528 1.00 0.00 C ATOM 0 H THR A 16 -6.741 11.715 -4.135 1.00 0.00 H new ATOM 0 HA THR A 16 -9.525 11.772 -3.742 1.00 0.00 H new ATOM 0 HB THR A 16 -7.613 13.380 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.257 13.800 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.397 15.050 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.832 13.503 -6.478 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.534 13.945 -4.903 1.00 0.00 H new ATOM 270 N GLU A 17 -8.514 11.008 -6.808 1.00 0.00 N ATOM 271 CA GLU A 17 -8.967 10.446 -8.076 1.00 0.00 C ATOM 272 C GLU A 17 -9.562 9.056 -7.859 1.00 0.00 C ATOM 273 O GLU A 17 -10.584 8.722 -8.454 1.00 0.00 O ATOM 274 CB GLU A 17 -7.832 10.367 -9.111 1.00 0.00 C ATOM 275 CG GLU A 17 -6.865 11.538 -9.073 1.00 0.00 C ATOM 276 CD GLU A 17 -5.855 11.497 -10.204 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.066 10.534 -10.273 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.845 12.430 -11.034 1.00 0.00 O ATOM 0 H GLU A 17 -7.519 11.231 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.732 11.115 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.273 9.445 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.269 10.305 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.427 12.470 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.337 11.538 -8.119 1.00 0.00 H new ATOM 285 N CYS A 18 -8.941 8.271 -6.981 1.00 0.00 N ATOM 286 CA CYS A 18 -9.415 6.921 -6.687 1.00 0.00 C ATOM 287 C CYS A 18 -10.712 6.952 -5.886 1.00 0.00 C ATOM 288 O CYS A 18 -11.580 6.097 -6.060 1.00 0.00 O ATOM 289 CB CYS A 18 -8.351 6.125 -5.930 1.00 0.00 C ATOM 290 SG CYS A 18 -6.843 5.810 -6.901 1.00 0.00 S ATOM 0 H CYS A 18 -8.108 8.547 -6.461 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.612 6.428 -7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.082 6.666 -5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.777 5.172 -5.618 1.00 0.00 H new ATOM 295 N VAL A 19 -10.850 7.946 -5.021 1.00 0.00 N ATOM 296 CA VAL A 19 -12.054 8.094 -4.228 1.00 0.00 C ATOM 297 C VAL A 19 -13.236 8.447 -5.118 1.00 0.00 C ATOM 298 O VAL A 19 -14.289 7.806 -5.063 1.00 0.00 O ATOM 299 CB VAL A 19 -11.882 9.163 -3.121 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.223 9.744 -2.702 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.176 8.562 -1.918 1.00 0.00 C ATOM 0 H VAL A 19 -10.141 8.660 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.246 7.138 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.275 9.972 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.069 10.491 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.702 10.210 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.861 8.948 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.061 9.323 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.766 7.734 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.194 8.197 -2.217 1.00 0.00 H new ATOM 311 N SER A 20 -13.037 9.446 -5.956 1.00 0.00 N ATOM 312 CA SER A 20 -14.095 9.957 -6.807 1.00 0.00 C ATOM 313 C SER A 20 -14.458 8.969 -7.928 1.00 0.00 C ATOM 314 O SER A 20 -15.549 9.049 -8.492 1.00 0.00 O ATOM 315 CB SER A 20 -13.661 11.306 -7.389 1.00 0.00 C ATOM 316 OG SER A 20 -14.775 12.076 -7.814 1.00 0.00 O ATOM 0 H SER A 20 -12.143 9.924 -6.066 1.00 0.00 H new ATOM 0 HA SER A 20 -14.993 10.089 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.099 11.862 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.990 11.140 -8.232 1.00 0.00 H new ATOM 0 HG SER A 20 -14.462 12.930 -8.178 1.00 0.00 H new ATOM 322 N SER A 21 -13.560 8.034 -8.249 1.00 0.00 N ATOM 323 CA SER A 21 -13.821 7.067 -9.314 1.00 0.00 C ATOM 324 C SER A 21 -14.496 5.809 -8.771 1.00 0.00 C ATOM 325 O SER A 21 -15.493 5.338 -9.321 1.00 0.00 O ATOM 326 CB SER A 21 -12.519 6.693 -10.025 1.00 0.00 C ATOM 327 OG SER A 21 -11.561 6.180 -9.114 1.00 0.00 O ATOM 0 H SER A 21 -12.655 7.928 -7.791 1.00 0.00 H new ATOM 0 HA SER A 21 -14.498 7.536 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.724 5.950 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.112 7.570 -10.528 1.00 0.00 H new ATOM 0 HG SER A 21 -11.131 6.922 -8.640 1.00 0.00 H new ATOM 333 N LEU A 22 -13.956 5.272 -7.681 1.00 0.00 N ATOM 334 CA LEU A 22 -14.469 4.037 -7.098 1.00 0.00 C ATOM 335 C LEU A 22 -15.698 4.302 -6.231 1.00 0.00 C ATOM 336 O LEU A 22 -16.168 3.414 -5.516 1.00 0.00 O ATOM 337 CB LEU A 22 -13.373 3.358 -6.274 1.00 0.00 C ATOM 338 CG LEU A 22 -12.184 2.853 -7.088 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.042 2.465 -6.167 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.596 1.669 -7.942 1.00 0.00 C ATOM 0 H LEU A 22 -13.162 5.674 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.771 3.375 -7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.011 4.063 -5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.810 2.518 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.845 3.655 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.201 2.107 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.732 3.334 -5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.371 1.676 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.739 1.319 -8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.955 0.865 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.391 1.971 -8.624 1.00 0.00 H new ATOM 352 N ASN A 23 -16.213 5.532 -6.315 1.00 0.00 N ATOM 353 CA ASN A 23 -17.389 5.960 -5.552 1.00 0.00 C ATOM 354 C ASN A 23 -17.189 5.745 -4.056 1.00 0.00 C ATOM 355 O ASN A 23 -18.138 5.433 -3.337 1.00 0.00 O ATOM 356 CB ASN A 23 -18.650 5.222 -6.012 1.00 0.00 C ATOM 357 CG ASN A 23 -18.948 5.420 -7.485 1.00 0.00 C ATOM 358 OD1 ASN A 23 -19.565 6.408 -7.879 1.00 0.00 O ATOM 359 ND2 ASN A 23 -18.537 4.470 -8.308 1.00 0.00 N ATOM 0 H ASN A 23 -15.826 6.260 -6.915 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.518 7.026 -5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.535 4.157 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.501 5.568 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.729 4.542 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -18.028 3.665 -7.944 1.00 0.00 H new ATOM 366 N ILE A 24 -15.953 5.915 -3.594 1.00 0.00 N ATOM 367 CA ILE A 24 -15.623 5.721 -2.191 1.00 0.00 C ATOM 368 C ILE A 24 -16.354 6.740 -1.325 1.00 0.00 C ATOM 369 O ILE A 24 -16.160 7.946 -1.479 1.00 0.00 O ATOM 370 CB ILE A 24 -14.105 5.848 -1.941 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.315 4.952 -2.910 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.777 5.494 -0.493 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.587 3.470 -2.753 1.00 0.00 C ATOM 0 H ILE A 24 -15.162 6.188 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.939 4.713 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.811 6.882 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.551 5.246 -3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.250 5.131 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.703 5.588 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.306 6.172 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.087 4.469 -0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.990 2.912 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.323 3.157 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.645 3.274 -2.929 1.00 0.00 H new ATOM 385 N PRO A 25 -17.215 6.262 -0.418 1.00 0.00 N ATOM 386 CA PRO A 25 -17.971 7.123 0.493 1.00 0.00 C ATOM 387 C PRO A 25 -17.054 7.924 1.404 1.00 0.00 C ATOM 388 O PRO A 25 -16.016 7.431 1.857 1.00 0.00 O ATOM 389 CB PRO A 25 -18.813 6.147 1.319 1.00 0.00 C ATOM 390 CG PRO A 25 -18.796 4.865 0.569 1.00 0.00 C ATOM 391 CD PRO A 25 -17.508 4.840 -0.200 1.00 0.00 C ATOM 0 HA PRO A 25 -18.568 7.856 -0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.398 6.021 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.832 6.515 1.441 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.858 4.016 1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.651 4.797 -0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.714 4.348 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.613 4.302 -1.142 1.00 0.00 H new ATOM 399 N ALA A 26 -17.458 9.165 1.666 1.00 0.00 N ATOM 400 CA ALA A 26 -16.701 10.083 2.508 1.00 0.00 C ATOM 401 C ALA A 26 -16.451 9.487 3.891 1.00 0.00 C ATOM 402 O ALA A 26 -15.476 9.833 4.559 1.00 0.00 O ATOM 403 CB ALA A 26 -17.445 11.400 2.632 1.00 0.00 C ATOM 0 H ALA A 26 -18.323 9.562 1.298 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.733 10.257 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.875 12.082 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.572 11.840 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.423 11.225 3.080 1.00 0.00 H new ATOM 409 N ASP A 27 -17.353 8.601 4.307 1.00 0.00 N ATOM 410 CA ASP A 27 -17.218 7.864 5.565 1.00 0.00 C ATOM 411 C ASP A 27 -15.854 7.182 5.657 1.00 0.00 C ATOM 412 O ASP A 27 -15.104 7.396 6.614 1.00 0.00 O ATOM 413 CB ASP A 27 -18.328 6.817 5.674 1.00 0.00 C ATOM 414 CG ASP A 27 -18.252 5.998 6.951 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.438 5.054 7.016 1.00 0.00 O ATOM 416 OD2 ASP A 27 -19.024 6.285 7.892 1.00 0.00 O ATOM 0 H ASP A 27 -18.198 8.373 3.783 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.303 8.574 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.296 7.316 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.273 6.147 4.816 1.00 0.00 H new ATOM 421 N TYR A 28 -15.542 6.366 4.653 1.00 0.00 N ATOM 422 CA TYR A 28 -14.263 5.674 4.592 1.00 0.00 C ATOM 423 C TYR A 28 -13.108 6.659 4.450 1.00 0.00 C ATOM 424 O TYR A 28 -12.046 6.469 5.037 1.00 0.00 O ATOM 425 CB TYR A 28 -14.255 4.684 3.426 1.00 0.00 C ATOM 426 CG TYR A 28 -15.022 3.413 3.715 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.401 3.363 3.562 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.368 2.262 4.141 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.108 2.206 3.825 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.069 1.100 4.406 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.438 1.078 4.246 1.00 0.00 C ATOM 432 OH TYR A 28 -17.138 -0.076 4.509 1.00 0.00 O ATOM 0 H TYR A 28 -16.163 6.169 3.868 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.130 5.129 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.682 5.166 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.224 4.430 3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -16.930 4.244 3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.295 2.276 4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.181 2.186 3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.547 0.214 4.737 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.516 -0.778 4.795 1.00 0.00 H new ATOM 442 N VAL A 29 -13.331 7.714 3.673 1.00 0.00 N ATOM 443 CA VAL A 29 -12.313 8.731 3.430 1.00 0.00 C ATOM 444 C VAL A 29 -11.849 9.375 4.737 1.00 0.00 C ATOM 445 O VAL A 29 -10.651 9.597 4.941 1.00 0.00 O ATOM 446 CB VAL A 29 -12.839 9.814 2.477 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.766 10.844 2.194 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.325 9.188 1.183 1.00 0.00 C ATOM 0 H VAL A 29 -14.216 7.888 3.197 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.461 8.234 2.967 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.678 10.316 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.159 11.602 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.459 11.315 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.906 10.357 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.695 9.968 0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.501 8.661 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.129 8.484 1.399 1.00 0.00 H new ATOM 458 N GLU A 30 -12.798 9.657 5.628 1.00 0.00 N ATOM 459 CA GLU A 30 -12.476 10.231 6.932 1.00 0.00 C ATOM 460 C GLU A 30 -11.609 9.269 7.743 1.00 0.00 C ATOM 461 O GLU A 30 -10.709 9.687 8.476 1.00 0.00 O ATOM 462 CB GLU A 30 -13.761 10.592 7.684 1.00 0.00 C ATOM 463 CG GLU A 30 -13.712 10.292 9.171 1.00 0.00 C ATOM 464 CD GLU A 30 -14.919 10.809 9.919 1.00 0.00 C ATOM 465 OE1 GLU A 30 -14.857 11.943 10.437 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.934 10.082 10.000 1.00 0.00 O ATOM 0 H GLU A 30 -13.793 9.498 5.471 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.904 11.147 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.965 11.654 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.594 10.046 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.636 9.214 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.811 10.735 9.596 1.00 0.00 H new ATOM 473 N LYS A 31 -11.880 7.977 7.587 1.00 0.00 N ATOM 474 CA LYS A 31 -11.109 6.945 8.266 1.00 0.00 C ATOM 475 C LYS A 31 -9.669 6.935 7.771 1.00 0.00 C ATOM 476 O LYS A 31 -8.733 6.896 8.566 1.00 0.00 O ATOM 477 CB LYS A 31 -11.734 5.567 8.059 1.00 0.00 C ATOM 478 CG LYS A 31 -13.143 5.461 8.607 1.00 0.00 C ATOM 479 CD LYS A 31 -13.647 4.027 8.584 1.00 0.00 C ATOM 480 CE LYS A 31 -15.103 3.944 9.030 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.549 2.541 9.225 1.00 0.00 N ATOM 0 H LYS A 31 -12.630 7.621 6.995 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.117 7.175 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.748 5.338 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.107 4.815 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.166 5.839 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.811 6.091 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.549 3.621 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.029 3.411 9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.228 4.496 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.738 4.425 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.544 2.532 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.455 2.019 8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.961 2.088 9.954 1.00 0.00 H new ATOM 495 N PHE A 32 -9.502 6.991 6.452 1.00 0.00 N ATOM 496 CA PHE A 32 -8.179 6.985 5.836 1.00 0.00 C ATOM 497 C PHE A 32 -7.344 8.166 6.325 1.00 0.00 C ATOM 498 O PHE A 32 -6.118 8.089 6.393 1.00 0.00 O ATOM 499 CB PHE A 32 -8.288 7.033 4.309 1.00 0.00 C ATOM 500 CG PHE A 32 -9.185 5.979 3.721 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.931 6.248 2.585 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.290 4.727 4.304 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.762 5.287 2.040 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.120 3.765 3.764 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.856 4.044 2.631 1.00 0.00 C ATOM 0 H PHE A 32 -10.273 7.041 5.786 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.685 6.058 6.128 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.658 8.015 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.291 6.926 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.863 7.220 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.716 4.501 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.337 5.509 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.193 2.793 4.229 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.504 3.291 2.208 1.00 0.00 H new ATOM 515 N LYS A 33 -8.021 9.257 6.670 1.00 0.00 N ATOM 516 CA LYS A 33 -7.360 10.444 7.194 1.00 0.00 C ATOM 517 C LYS A 33 -6.679 10.132 8.528 1.00 0.00 C ATOM 518 O LYS A 33 -5.646 10.708 8.864 1.00 0.00 O ATOM 519 CB LYS A 33 -8.375 11.574 7.378 1.00 0.00 C ATOM 520 CG LYS A 33 -7.721 12.934 7.528 1.00 0.00 C ATOM 521 CD LYS A 33 -8.746 14.048 7.639 1.00 0.00 C ATOM 522 CE LYS A 33 -8.074 15.410 7.731 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.275 15.720 6.515 1.00 0.00 N ATOM 0 H LYS A 33 -9.035 9.342 6.595 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.600 10.761 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.050 11.593 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.983 11.370 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.086 12.935 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.073 13.121 6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.407 14.024 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.368 13.887 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.833 16.180 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.426 15.436 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.046 16.734 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.394 15.167 6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.825 15.476 5.667 1.00 0.00 H new ATOM 537 N LYS A 34 -7.262 9.208 9.280 1.00 0.00 N ATOM 538 CA LYS A 34 -6.699 8.793 10.560 1.00 0.00 C ATOM 539 C LYS A 34 -5.935 7.481 10.413 1.00 0.00 C ATOM 540 O LYS A 34 -5.740 6.752 11.386 1.00 0.00 O ATOM 541 CB LYS A 34 -7.810 8.640 11.605 1.00 0.00 C ATOM 542 CG LYS A 34 -8.551 9.931 11.907 1.00 0.00 C ATOM 543 CD LYS A 34 -7.627 10.998 12.474 1.00 0.00 C ATOM 544 CE LYS A 34 -8.381 12.282 12.778 1.00 0.00 C ATOM 545 NZ LYS A 34 -9.528 12.048 13.695 1.00 0.00 N ATOM 0 H LYS A 34 -8.127 8.730 9.026 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.003 9.563 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.525 7.895 11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.377 8.256 12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.018 10.303 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.353 9.731 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.156 10.627 13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.827 11.204 11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.700 13.006 13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.743 12.719 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.857 12.957 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.303 11.591 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.227 11.432 14.477 1.00 0.00 H new ATOM 559 N TRP A 35 -5.491 7.206 9.186 1.00 0.00 N ATOM 560 CA TRP A 35 -4.817 5.954 8.844 1.00 0.00 C ATOM 561 C TRP A 35 -5.595 4.729 9.323 1.00 0.00 C ATOM 562 O TRP A 35 -5.019 3.777 9.859 1.00 0.00 O ATOM 563 CB TRP A 35 -3.398 5.943 9.404 1.00 0.00 C ATOM 564 CG TRP A 35 -2.506 6.954 8.753 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.382 8.266 9.094 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.624 6.743 7.644 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.468 8.883 8.279 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.988 7.969 7.380 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.303 5.635 6.852 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.053 8.120 6.361 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.375 5.786 5.841 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.242 7.018 5.602 1.00 0.00 C ATOM 0 H TRP A 35 -5.589 7.848 8.399 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.770 5.898 7.756 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.435 6.135 10.476 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.969 4.950 9.273 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.925 8.751 9.892 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.191 9.863 8.334 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.773 4.679 7.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.423 9.071 6.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.121 4.937 5.223 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.965 7.102 4.804 1.00 0.00 H new ATOM 583 N GLU A 36 -6.902 4.759 9.132 1.00 0.00 N ATOM 584 CA GLU A 36 -7.751 3.632 9.461 1.00 0.00 C ATOM 585 C GLU A 36 -8.294 3.008 8.189 1.00 0.00 C ATOM 586 O GLU A 36 -9.118 3.600 7.492 1.00 0.00 O ATOM 587 CB GLU A 36 -8.895 4.073 10.359 1.00 0.00 C ATOM 588 CG GLU A 36 -9.698 2.917 10.930 1.00 0.00 C ATOM 589 CD GLU A 36 -8.865 2.011 11.811 1.00 0.00 C ATOM 590 OE1 GLU A 36 -8.244 1.064 11.283 1.00 0.00 O ATOM 591 OE2 GLU A 36 -8.824 2.240 13.037 1.00 0.00 O ATOM 0 H GLU A 36 -7.401 5.561 8.747 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.159 2.890 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.494 4.667 11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.562 4.723 9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.535 3.310 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.121 2.334 10.112 1.00 0.00 H new ATOM 598 N PHE A 37 -7.809 1.822 7.883 1.00 0.00 N ATOM 599 CA PHE A 37 -8.209 1.117 6.678 1.00 0.00 C ATOM 600 C PHE A 37 -8.957 -0.160 7.037 1.00 0.00 C ATOM 601 O PHE A 37 -8.337 -1.200 7.267 1.00 0.00 O ATOM 602 CB PHE A 37 -6.972 0.783 5.829 1.00 0.00 C ATOM 603 CG PHE A 37 -6.106 1.977 5.536 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.237 2.682 4.349 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.161 2.397 6.458 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.443 3.782 4.091 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.364 3.494 6.204 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.505 4.188 5.020 1.00 0.00 C ATOM 0 H PHE A 37 -7.131 1.321 8.457 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.873 1.760 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.377 0.031 6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.296 0.339 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.968 2.367 3.619 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.047 1.859 7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.555 4.324 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.630 3.809 6.931 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.883 5.048 4.820 1.00 0.00 H new ATOM 618 N PRO A 38 -10.298 -0.096 7.122 1.00 0.00 N ATOM 619 CA PRO A 38 -11.126 -1.271 7.409 1.00 0.00 C ATOM 620 C PRO A 38 -10.905 -2.393 6.406 1.00 0.00 C ATOM 621 O PRO A 38 -10.640 -2.150 5.225 1.00 0.00 O ATOM 622 CB PRO A 38 -12.555 -0.744 7.302 1.00 0.00 C ATOM 623 CG PRO A 38 -12.435 0.714 7.563 1.00 0.00 C ATOM 624 CD PRO A 38 -11.119 1.118 6.957 1.00 0.00 C ATOM 0 HA PRO A 38 -10.889 -1.701 8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.976 -0.937 6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.211 -1.225 8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.261 1.264 7.112 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.457 0.925 8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.225 1.396 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.683 1.974 7.471 1.00 0.00 H new ATOM 632 N GLU A 39 -11.019 -3.614 6.888 1.00 0.00 N ATOM 633 CA GLU A 39 -10.843 -4.787 6.056 1.00 0.00 C ATOM 634 C GLU A 39 -12.118 -5.048 5.260 1.00 0.00 C ATOM 635 O GLU A 39 -12.896 -5.956 5.564 1.00 0.00 O ATOM 636 CB GLU A 39 -10.469 -5.986 6.926 1.00 0.00 C ATOM 637 CG GLU A 39 -10.067 -7.224 6.144 1.00 0.00 C ATOM 638 CD GLU A 39 -9.505 -8.308 7.035 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.300 -8.252 7.358 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.265 -9.217 7.426 1.00 0.00 O ATOM 0 H GLU A 39 -11.235 -3.821 7.863 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.031 -4.620 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.646 -5.702 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.316 -6.234 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.934 -7.610 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.324 -6.952 5.394 1.00 0.00 H new ATOM 647 N ASP A 40 -12.316 -4.236 4.233 1.00 0.00 N ATOM 648 CA ASP A 40 -13.540 -4.278 3.438 1.00 0.00 C ATOM 649 C ASP A 40 -13.247 -3.995 1.972 1.00 0.00 C ATOM 650 O ASP A 40 -12.325 -3.236 1.669 1.00 0.00 O ATOM 651 CB ASP A 40 -14.573 -3.266 3.962 1.00 0.00 C ATOM 652 CG ASP A 40 -15.827 -3.221 3.110 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.923 -2.350 2.218 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.722 -4.065 3.321 1.00 0.00 O ATOM 0 H ASP A 40 -11.642 -3.535 3.927 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.953 -5.282 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.843 -3.524 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.122 -2.274 3.992 1.00 0.00 H new ATOM 659 N ASP A 41 -14.019 -4.614 1.083 1.00 0.00 N ATOM 660 CA ASP A 41 -13.813 -4.502 -0.369 1.00 0.00 C ATOM 661 C ASP A 41 -13.556 -3.060 -0.800 1.00 0.00 C ATOM 662 O ASP A 41 -12.609 -2.785 -1.547 1.00 0.00 O ATOM 663 CB ASP A 41 -15.034 -5.031 -1.122 1.00 0.00 C ATOM 664 CG ASP A 41 -15.359 -6.469 -0.782 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.837 -6.724 0.347 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.158 -7.349 -1.643 1.00 0.00 O ATOM 0 H ASP A 41 -14.806 -5.208 1.343 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.933 -5.098 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.896 -4.405 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.857 -4.948 -2.194 1.00 0.00 H new ATOM 671 N THR A 42 -14.393 -2.153 -0.304 1.00 0.00 N ATOM 672 CA THR A 42 -14.319 -0.739 -0.646 1.00 0.00 C ATOM 673 C THR A 42 -12.907 -0.183 -0.446 1.00 0.00 C ATOM 674 O THR A 42 -12.290 0.341 -1.379 1.00 0.00 O ATOM 675 CB THR A 42 -15.301 0.052 0.229 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.577 -0.602 0.244 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.457 1.470 -0.281 1.00 0.00 C ATOM 0 H THR A 42 -15.143 -2.381 0.348 1.00 0.00 H new ATOM 0 HA THR A 42 -14.580 -0.635 -1.699 1.00 0.00 H new ATOM 0 HB THR A 42 -14.902 0.092 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.611 -1.235 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.158 2.011 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.489 1.972 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.836 1.450 -1.303 1.00 0.00 H new ATOM 685 N THR A 43 -12.408 -0.313 0.775 1.00 0.00 N ATOM 686 CA THR A 43 -11.068 0.132 1.126 1.00 0.00 C ATOM 687 C THR A 43 -10.010 -0.575 0.282 1.00 0.00 C ATOM 688 O THR A 43 -8.990 0.012 -0.083 1.00 0.00 O ATOM 689 CB THR A 43 -10.788 -0.148 2.612 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.832 0.414 3.421 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.445 0.429 3.034 1.00 0.00 C ATOM 0 H THR A 43 -12.922 -0.731 1.551 1.00 0.00 H new ATOM 0 HA THR A 43 -11.016 1.203 0.932 1.00 0.00 H new ATOM 0 HB THR A 43 -10.758 -1.228 2.754 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.358 1.043 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.273 0.216 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.652 -0.023 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.447 1.508 2.877 1.00 0.00 H new ATOM 699 N MET A 44 -10.277 -1.830 -0.045 1.00 0.00 N ATOM 700 CA MET A 44 -9.314 -2.661 -0.747 1.00 0.00 C ATOM 701 C MET A 44 -9.077 -2.160 -2.167 1.00 0.00 C ATOM 702 O MET A 44 -7.933 -1.975 -2.583 1.00 0.00 O ATOM 703 CB MET A 44 -9.786 -4.112 -0.766 1.00 0.00 C ATOM 704 CG MET A 44 -9.932 -4.711 0.619 1.00 0.00 C ATOM 705 SD MET A 44 -10.515 -6.412 0.588 1.00 0.00 S ATOM 706 CE MET A 44 -10.584 -6.749 2.343 1.00 0.00 C ATOM 0 H MET A 44 -11.159 -2.297 0.167 1.00 0.00 H new ATOM 0 HA MET A 44 -8.366 -2.603 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.744 -4.169 -1.282 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.079 -4.710 -1.341 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.970 -4.671 1.130 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.627 -4.105 1.200 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.261 -7.773 2.530 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.927 -6.059 2.872 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.607 -6.621 2.698 1.00 0.00 H new ATOM 716 N CYS A 45 -10.154 -1.934 -2.910 1.00 0.00 N ATOM 717 CA CYS A 45 -10.035 -1.416 -4.271 1.00 0.00 C ATOM 718 C CYS A 45 -9.450 -0.012 -4.255 1.00 0.00 C ATOM 719 O CYS A 45 -8.739 0.383 -5.180 1.00 0.00 O ATOM 720 CB CYS A 45 -11.385 -1.424 -4.997 1.00 0.00 C ATOM 721 SG CYS A 45 -12.045 -3.095 -5.323 1.00 0.00 S ATOM 0 H CYS A 45 -11.111 -2.099 -2.599 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.360 -2.074 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.109 -0.869 -4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.279 -0.895 -5.944 1.00 0.00 H new ATOM 726 N TYR A 46 -9.737 0.733 -3.189 1.00 0.00 N ATOM 727 CA TYR A 46 -9.173 2.059 -3.010 1.00 0.00 C ATOM 728 C TYR A 46 -7.652 1.981 -2.960 1.00 0.00 C ATOM 729 O TYR A 46 -6.960 2.679 -3.700 1.00 0.00 O ATOM 730 CB TYR A 46 -9.728 2.693 -1.731 1.00 0.00 C ATOM 731 CG TYR A 46 -8.925 3.878 -1.238 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.881 5.066 -1.958 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.214 3.809 -0.045 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.152 6.147 -1.503 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.482 4.887 0.414 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.456 6.052 -0.319 1.00 0.00 C ATOM 737 OH TYR A 46 -6.744 7.135 0.137 1.00 0.00 O ATOM 0 H TYR A 46 -10.359 0.435 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.454 2.685 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.755 3.011 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.761 1.937 -0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.425 5.145 -2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.234 2.897 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.128 7.063 -2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.934 4.816 1.342 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.421 6.956 1.045 1.00 0.00 H new ATOM 747 N ILE A 47 -7.145 1.106 -2.098 1.00 0.00 N ATOM 748 CA ILE A 47 -5.711 0.900 -1.961 1.00 0.00 C ATOM 749 C ILE A 47 -5.103 0.432 -3.279 1.00 0.00 C ATOM 750 O ILE A 47 -4.019 0.867 -3.657 1.00 0.00 O ATOM 751 CB ILE A 47 -5.393 -0.124 -0.846 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.782 0.442 0.530 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.920 -0.523 -0.873 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.094 1.750 0.880 1.00 0.00 C ATOM 0 H ILE A 47 -7.712 0.525 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.270 1.858 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.984 -1.021 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.861 0.593 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.545 -0.297 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.724 -1.244 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.682 -0.972 -1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.301 0.361 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.422 2.082 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.014 1.602 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.351 2.506 0.138 1.00 0.00 H new ATOM 766 N LYS A 48 -5.822 -0.434 -3.985 1.00 0.00 N ATOM 767 CA LYS A 48 -5.343 -0.968 -5.250 1.00 0.00 C ATOM 768 C LYS A 48 -5.157 0.156 -6.260 1.00 0.00 C ATOM 769 O LYS A 48 -4.090 0.287 -6.859 1.00 0.00 O ATOM 770 CB LYS A 48 -6.319 -2.022 -5.788 1.00 0.00 C ATOM 771 CG LYS A 48 -5.774 -2.840 -6.956 1.00 0.00 C ATOM 772 CD LYS A 48 -5.906 -2.115 -8.289 1.00 0.00 C ATOM 773 CE LYS A 48 -5.271 -2.912 -9.416 1.00 0.00 C ATOM 774 NZ LYS A 48 -5.545 -2.317 -10.749 1.00 0.00 N ATOM 0 H LYS A 48 -6.739 -0.780 -3.701 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.378 -1.447 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.587 -2.700 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.236 -1.524 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.724 -3.071 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.305 -3.790 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.960 -1.945 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.432 -1.136 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.194 -2.965 -9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.648 -3.935 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.211 -2.963 -11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.568 -2.164 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.048 -1.407 -10.832 1.00 0.00 H new ATOM 788 N CYS A 49 -6.200 0.958 -6.445 1.00 0.00 N ATOM 789 CA CYS A 49 -6.146 2.088 -7.365 1.00 0.00 C ATOM 790 C CYS A 49 -4.981 3.015 -7.026 1.00 0.00 C ATOM 791 O CYS A 49 -4.208 3.394 -7.903 1.00 0.00 O ATOM 792 CB CYS A 49 -7.469 2.859 -7.350 1.00 0.00 C ATOM 793 SG CYS A 49 -7.430 4.434 -8.275 1.00 0.00 S ATOM 0 H CYS A 49 -7.095 0.846 -5.969 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.985 1.697 -8.370 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.251 2.225 -7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.745 3.065 -6.316 1.00 0.00 H new ATOM 798 N VAL A 50 -4.841 3.349 -5.744 1.00 0.00 N ATOM 799 CA VAL A 50 -3.801 4.257 -5.289 1.00 0.00 C ATOM 800 C VAL A 50 -2.413 3.674 -5.527 1.00 0.00 C ATOM 801 O VAL A 50 -1.524 4.345 -6.053 1.00 0.00 O ATOM 802 CB VAL A 50 -3.978 4.586 -3.795 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.819 5.411 -3.272 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.284 5.320 -3.574 1.00 0.00 C ATOM 0 H VAL A 50 -5.443 2.998 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.894 5.175 -5.869 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.998 3.646 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.974 5.627 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.890 4.854 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.758 6.347 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.399 5.548 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.281 6.248 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.113 4.694 -3.902 1.00 0.00 H new ATOM 814 N PHE A 51 -2.245 2.412 -5.164 1.00 0.00 N ATOM 815 CA PHE A 51 -0.969 1.728 -5.310 1.00 0.00 C ATOM 816 C PHE A 51 -0.602 1.577 -6.782 1.00 0.00 C ATOM 817 O PHE A 51 0.570 1.499 -7.143 1.00 0.00 O ATOM 818 CB PHE A 51 -1.032 0.362 -4.624 1.00 0.00 C ATOM 819 CG PHE A 51 -0.670 0.396 -3.164 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.962 1.506 -2.385 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.050 -0.691 -2.569 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.641 1.530 -1.042 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.274 -0.670 -1.227 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.022 0.441 -0.462 1.00 0.00 C ATOM 0 H PHE A 51 -2.984 1.836 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.193 2.326 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.040 -0.040 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.359 -0.324 -5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.446 2.361 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.182 -1.564 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.874 2.400 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.759 -1.523 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.230 0.458 0.588 1.00 0.00 H new ATOM 834 N ASN A 52 -1.619 1.543 -7.626 1.00 0.00 N ATOM 835 CA ASN A 52 -1.423 1.450 -9.065 1.00 0.00 C ATOM 836 C ASN A 52 -1.059 2.825 -9.623 1.00 0.00 C ATOM 837 O ASN A 52 -0.202 2.952 -10.495 1.00 0.00 O ATOM 838 CB ASN A 52 -2.697 0.916 -9.730 1.00 0.00 C ATOM 839 CG ASN A 52 -2.541 0.665 -11.220 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.372 0.203 -11.638 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.484 0.851 -11.988 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.597 1.579 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.607 0.759 -9.278 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.991 -0.013 -9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.506 1.629 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.370 1.208 -11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.380 0.648 -12.982 1.00 0.00 H new ATOM 848 N LYS A 53 -1.695 3.851 -9.069 1.00 0.00 N ATOM 849 CA LYS A 53 -1.447 5.237 -9.456 1.00 0.00 C ATOM 850 C LYS A 53 -0.008 5.633 -9.151 1.00 0.00 C ATOM 851 O LYS A 53 0.626 6.365 -9.908 1.00 0.00 O ATOM 852 CB LYS A 53 -2.387 6.166 -8.687 1.00 0.00 C ATOM 853 CG LYS A 53 -3.824 6.188 -9.187 1.00 0.00 C ATOM 854 CD LYS A 53 -4.001 7.129 -10.362 1.00 0.00 C ATOM 855 CE LYS A 53 -5.467 7.257 -10.739 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.687 8.325 -11.744 1.00 0.00 N ATOM 0 H LYS A 53 -2.398 3.746 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.624 5.327 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.388 5.869 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.988 7.179 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.121 5.181 -9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.486 6.492 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.599 8.111 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.433 6.761 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.825 6.306 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.054 7.472 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.640 8.229 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.597 9.255 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.979 8.241 -12.501 1.00 0.00 H new ATOM 870 N MET A 54 0.498 5.133 -8.032 1.00 0.00 N ATOM 871 CA MET A 54 1.829 5.482 -7.555 1.00 0.00 C ATOM 872 C MET A 54 2.893 4.575 -8.166 1.00 0.00 C ATOM 873 O MET A 54 4.060 4.625 -7.776 1.00 0.00 O ATOM 874 CB MET A 54 1.871 5.384 -6.030 1.00 0.00 C ATOM 875 CG MET A 54 0.999 6.414 -5.339 1.00 0.00 C ATOM 876 SD MET A 54 0.586 5.957 -3.645 1.00 0.00 S ATOM 877 CE MET A 54 2.134 6.268 -2.806 1.00 0.00 C ATOM 0 H MET A 54 -0.000 4.476 -7.431 1.00 0.00 H new ATOM 0 HA MET A 54 2.044 6.505 -7.862 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.552 4.386 -5.728 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.901 5.505 -5.693 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.513 7.375 -5.336 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.079 6.546 -5.909 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.050 5.963 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.930 5.700 -3.288 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.367 7.332 -2.855 1.00 0.00 H new ATOM 887 N GLN A 55 2.468 3.753 -9.133 1.00 0.00 N ATOM 888 CA GLN A 55 3.337 2.777 -9.783 1.00 0.00 C ATOM 889 C GLN A 55 4.053 1.904 -8.759 1.00 0.00 C ATOM 890 O GLN A 55 5.257 1.673 -8.843 1.00 0.00 O ATOM 891 CB GLN A 55 4.330 3.483 -10.706 1.00 0.00 C ATOM 892 CG GLN A 55 3.748 3.787 -12.074 1.00 0.00 C ATOM 893 CD GLN A 55 3.640 2.558 -12.957 1.00 0.00 C ATOM 894 OE1 GLN A 55 3.512 1.431 -12.475 1.00 0.00 O ATOM 895 NE2 GLN A 55 3.677 2.767 -14.261 1.00 0.00 N ATOM 0 H GLN A 55 1.510 3.749 -9.484 1.00 0.00 H new ATOM 0 HA GLN A 55 2.717 2.117 -10.390 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.654 4.413 -10.239 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.216 2.859 -10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.759 4.229 -11.952 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.370 4.531 -12.571 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.784 3.715 -14.623 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.598 1.981 -14.906 1.00 0.00 H new ATOM 904 N LEU A 56 3.287 1.415 -7.797 1.00 0.00 N ATOM 905 CA LEU A 56 3.833 0.654 -6.686 1.00 0.00 C ATOM 906 C LEU A 56 3.306 -0.779 -6.699 1.00 0.00 C ATOM 907 O LEU A 56 3.854 -1.670 -6.047 1.00 0.00 O ATOM 908 CB LEU A 56 3.467 1.356 -5.370 1.00 0.00 C ATOM 909 CG LEU A 56 4.556 2.263 -4.794 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.058 2.969 -3.540 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.809 1.467 -4.484 1.00 0.00 C ATOM 0 H LEU A 56 2.274 1.534 -7.764 1.00 0.00 H new ATOM 0 HA LEU A 56 4.918 0.606 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.568 1.951 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.218 0.597 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 56 4.801 3.016 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.847 3.609 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.187 3.576 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.783 2.227 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.570 2.131 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.576 0.691 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.183 1.006 -5.398 1.00 0.00 H new ATOM 923 N PHE A 57 2.240 -0.987 -7.458 1.00 0.00 N ATOM 924 CA PHE A 57 1.599 -2.288 -7.553 1.00 0.00 C ATOM 925 C PHE A 57 1.133 -2.529 -8.984 1.00 0.00 C ATOM 926 O PHE A 57 0.486 -1.670 -9.590 1.00 0.00 O ATOM 927 CB PHE A 57 0.414 -2.370 -6.572 1.00 0.00 C ATOM 928 CG PHE A 57 -0.408 -3.624 -6.687 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.555 -3.645 -7.467 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.043 -4.774 -6.007 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.318 -4.791 -7.569 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.803 -5.923 -6.108 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.942 -5.930 -6.889 1.00 0.00 C ATOM 0 H PHE A 57 1.798 -0.262 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 57 2.317 -3.063 -7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.796 -2.294 -5.554 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.235 -1.510 -6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.854 -2.755 -8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.845 -4.772 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.208 -4.795 -8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.507 -6.815 -5.577 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.538 -6.827 -6.967 1.00 0.00 H new ATOM 943 N ASP A 58 1.478 -3.689 -9.513 1.00 0.00 N ATOM 944 CA ASP A 58 1.104 -4.064 -10.869 1.00 0.00 C ATOM 945 C ASP A 58 0.101 -5.208 -10.838 1.00 0.00 C ATOM 946 O ASP A 58 0.140 -6.063 -9.956 1.00 0.00 O ATOM 947 CB ASP A 58 2.344 -4.467 -11.679 1.00 0.00 C ATOM 948 CG ASP A 58 1.987 -5.012 -13.047 1.00 0.00 C ATOM 949 OD1 ASP A 58 2.254 -6.205 -13.304 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.424 -4.256 -13.865 1.00 0.00 O ATOM 0 H ASP A 58 2.023 -4.396 -9.019 1.00 0.00 H new ATOM 0 HA ASP A 58 0.642 -3.203 -11.352 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.996 -3.602 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.907 -5.219 -11.127 1.00 0.00 H new ATOM 955 N ASP A 59 -0.798 -5.206 -11.813 1.00 0.00 N ATOM 956 CA ASP A 59 -1.894 -6.171 -11.880 1.00 0.00 C ATOM 957 C ASP A 59 -1.393 -7.587 -12.149 1.00 0.00 C ATOM 958 O ASP A 59 -2.112 -8.562 -11.923 1.00 0.00 O ATOM 959 CB ASP A 59 -2.878 -5.766 -12.977 1.00 0.00 C ATOM 960 CG ASP A 59 -3.496 -4.403 -12.739 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.596 -4.340 -12.155 1.00 0.00 O ATOM 962 OD2 ASP A 59 -2.887 -3.388 -13.137 1.00 0.00 O ATOM 0 H ASP A 59 -0.790 -4.536 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.391 -6.168 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.363 -5.763 -13.938 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.670 -6.512 -13.042 1.00 0.00 H new ATOM 967 N THR A 60 -0.173 -7.693 -12.657 1.00 0.00 N ATOM 968 CA THR A 60 0.419 -8.984 -12.957 1.00 0.00 C ATOM 969 C THR A 60 1.438 -9.405 -11.892 1.00 0.00 C ATOM 970 O THR A 60 1.221 -10.381 -11.173 1.00 0.00 O ATOM 971 CB THR A 60 1.081 -8.960 -14.346 1.00 0.00 C ATOM 972 OG1 THR A 60 0.073 -8.843 -15.361 1.00 0.00 O ATOM 973 CG2 THR A 60 1.916 -10.205 -14.587 1.00 0.00 C ATOM 0 H THR A 60 0.426 -6.895 -12.870 1.00 0.00 H new ATOM 0 HA THR A 60 -0.384 -9.721 -12.956 1.00 0.00 H new ATOM 0 HB THR A 60 1.747 -8.098 -14.388 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.498 -8.826 -16.244 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.368 -10.154 -15.577 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.700 -10.269 -13.833 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.280 -11.088 -14.524 1.00 0.00 H new ATOM 981 N GLU A 61 2.541 -8.664 -11.788 1.00 0.00 N ATOM 982 CA GLU A 61 3.615 -9.016 -10.864 1.00 0.00 C ATOM 983 C GLU A 61 3.200 -8.802 -9.411 1.00 0.00 C ATOM 984 O GLU A 61 3.775 -9.401 -8.501 1.00 0.00 O ATOM 985 CB GLU A 61 4.867 -8.194 -11.155 1.00 0.00 C ATOM 986 CG GLU A 61 5.197 -8.095 -12.628 1.00 0.00 C ATOM 987 CD GLU A 61 6.469 -7.314 -12.884 1.00 0.00 C ATOM 988 OE1 GLU A 61 7.544 -7.742 -12.411 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.406 -6.274 -13.572 1.00 0.00 O ATOM 0 H GLU A 61 2.713 -7.818 -12.332 1.00 0.00 H new ATOM 0 HA GLU A 61 3.830 -10.074 -11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.734 -7.190 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.713 -8.638 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.300 -9.098 -13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.369 -7.617 -13.152 1.00 0.00 H new ATOM 996 N GLY A 62 2.193 -7.968 -9.199 1.00 0.00 N ATOM 997 CA GLY A 62 1.797 -7.622 -7.851 1.00 0.00 C ATOM 998 C GLY A 62 2.624 -6.477 -7.302 1.00 0.00 C ATOM 999 O GLY A 62 2.863 -5.500 -8.008 1.00 0.00 O ATOM 0 H GLY A 62 1.644 -7.525 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.742 -7.347 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.906 -8.493 -7.205 1.00 0.00 H new ATOM 1003 N PRO A 63 3.085 -6.567 -6.046 1.00 0.00 N ATOM 1004 CA PRO A 63 3.869 -5.500 -5.423 1.00 0.00 C ATOM 1005 C PRO A 63 5.220 -5.314 -6.104 1.00 0.00 C ATOM 1006 O PRO A 63 6.018 -6.250 -6.212 1.00 0.00 O ATOM 1007 CB PRO A 63 4.039 -5.965 -3.972 1.00 0.00 C ATOM 1008 CG PRO A 63 3.820 -7.434 -4.001 1.00 0.00 C ATOM 1009 CD PRO A 63 2.883 -7.712 -5.140 1.00 0.00 C ATOM 0 HA PRO A 63 3.378 -4.530 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.033 -5.723 -3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.321 -5.474 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.763 -7.963 -4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.396 -7.780 -3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.118 -8.657 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.849 -7.777 -4.801 1.00 0.00 H new ATOM 1017 N LEU A 64 5.462 -4.101 -6.577 1.00 0.00 N ATOM 1018 CA LEU A 64 6.707 -3.780 -7.256 1.00 0.00 C ATOM 1019 C LEU A 64 7.786 -3.477 -6.237 1.00 0.00 C ATOM 1020 O LEU A 64 7.958 -2.336 -5.813 1.00 0.00 O ATOM 1021 CB LEU A 64 6.519 -2.605 -8.215 1.00 0.00 C ATOM 1022 CG LEU A 64 5.396 -2.806 -9.235 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.175 -1.549 -10.062 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.725 -3.985 -10.135 1.00 0.00 C ATOM 0 H LEU A 64 4.810 -3.320 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 64 7.015 -4.643 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.312 -1.706 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.454 -2.432 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 64 4.472 -3.015 -8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.372 -1.721 -10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.904 -0.724 -9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.091 -1.300 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.923 -4.125 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.660 -3.791 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.829 -4.886 -9.531 1.00 0.00 H new ATOM 1036 N VAL A 65 8.501 -4.528 -5.864 1.00 0.00 N ATOM 1037 CA VAL A 65 9.490 -4.488 -4.795 1.00 0.00 C ATOM 1038 C VAL A 65 10.483 -3.341 -4.958 1.00 0.00 C ATOM 1039 O VAL A 65 10.766 -2.629 -3.999 1.00 0.00 O ATOM 1040 CB VAL A 65 10.258 -5.819 -4.712 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.356 -5.753 -3.662 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.301 -6.958 -4.413 1.00 0.00 C ATOM 0 H VAL A 65 8.410 -5.445 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 65 8.937 -4.323 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 65 10.730 -6.002 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.882 -6.707 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.059 -4.961 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.915 -5.544 -2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.856 -7.894 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.802 -6.774 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.556 -7.025 -5.206 1.00 0.00 H new ATOM 1052 N ASP A 66 11.001 -3.154 -6.166 1.00 0.00 N ATOM 1053 CA ASP A 66 12.011 -2.130 -6.404 1.00 0.00 C ATOM 1054 C ASP A 66 11.476 -0.736 -6.082 1.00 0.00 C ATOM 1055 O ASP A 66 12.085 0.008 -5.312 1.00 0.00 O ATOM 1056 CB ASP A 66 12.503 -2.183 -7.846 1.00 0.00 C ATOM 1057 CG ASP A 66 13.590 -1.160 -8.124 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.723 -1.339 -7.627 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.318 -0.174 -8.844 1.00 0.00 O ATOM 0 H ASP A 66 10.741 -3.694 -6.991 1.00 0.00 H new ATOM 0 HA ASP A 66 12.850 -2.334 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.884 -3.181 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.664 -2.010 -8.520 1.00 0.00 H new ATOM 1064 N ASN A 67 10.325 -0.391 -6.656 1.00 0.00 N ATOM 1065 CA ASN A 67 9.700 0.902 -6.395 1.00 0.00 C ATOM 1066 C ASN A 67 9.292 1.008 -4.933 1.00 0.00 C ATOM 1067 O ASN A 67 9.334 2.087 -4.341 1.00 0.00 O ATOM 1068 CB ASN A 67 8.480 1.116 -7.292 1.00 0.00 C ATOM 1069 CG ASN A 67 8.848 1.371 -8.743 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.875 0.904 -9.233 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.012 2.122 -9.434 1.00 0.00 N ATOM 0 H ASN A 67 9.808 -0.987 -7.303 1.00 0.00 H new ATOM 0 HA ASN A 67 10.432 1.678 -6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.836 0.239 -7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.903 1.960 -6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.207 2.335 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.171 2.490 -8.990 1.00 0.00 H new ATOM 1078 N LEU A 68 8.913 -0.128 -4.359 1.00 0.00 N ATOM 1079 CA LEU A 68 8.535 -0.202 -2.954 1.00 0.00 C ATOM 1080 C LEU A 68 9.704 0.169 -2.053 1.00 0.00 C ATOM 1081 O LEU A 68 9.549 0.943 -1.116 1.00 0.00 O ATOM 1082 CB LEU A 68 8.019 -1.602 -2.621 1.00 0.00 C ATOM 1083 CG LEU A 68 6.550 -1.834 -2.970 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.229 -3.317 -2.978 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.655 -1.110 -1.982 1.00 0.00 C ATOM 0 H LEU A 68 8.859 -1.019 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 68 7.736 0.517 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.626 -2.335 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.160 -1.784 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 68 6.367 -1.436 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.178 -3.460 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.851 -3.820 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.427 -3.738 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.611 -1.284 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.846 -1.485 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.865 -0.041 -2.017 1.00 0.00 H new ATOM 1097 N VAL A 69 10.873 -0.377 -2.351 1.00 0.00 N ATOM 1098 CA VAL A 69 12.082 -0.056 -1.608 1.00 0.00 C ATOM 1099 C VAL A 69 12.478 1.402 -1.819 1.00 0.00 C ATOM 1100 O VAL A 69 12.791 2.104 -0.866 1.00 0.00 O ATOM 1101 CB VAL A 69 13.244 -0.974 -2.020 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.511 -0.595 -1.282 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.895 -2.424 -1.754 1.00 0.00 C ATOM 0 H VAL A 69 11.010 -1.048 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 69 11.869 -0.215 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 69 13.416 -0.848 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.322 -1.256 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.775 0.436 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.349 -0.691 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.729 -3.059 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.696 -2.561 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.009 -2.696 -2.327 1.00 0.00 H new ATOM 1113 N HIS A 70 12.437 1.861 -3.066 1.00 0.00 N ATOM 1114 CA HIS A 70 12.778 3.253 -3.376 1.00 0.00 C ATOM 1115 C HIS A 70 11.874 4.223 -2.621 1.00 0.00 C ATOM 1116 O HIS A 70 12.282 5.330 -2.270 1.00 0.00 O ATOM 1117 CB HIS A 70 12.674 3.527 -4.877 1.00 0.00 C ATOM 1118 CG HIS A 70 13.873 3.094 -5.670 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.196 1.897 -6.214 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 14.899 3.949 -6.004 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.395 2.051 -6.864 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 15.796 3.299 -6.720 1.00 0.00 N flip ATOM 0 H HIS A 70 12.174 1.298 -3.875 1.00 0.00 H new ATOM 0 HA HIS A 70 13.809 3.408 -3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.792 3.018 -5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.519 4.595 -5.029 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.649 1.038 -6.152 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.960 4.990 -5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.922 1.278 -7.404 1.00 0.00 H new ATOM 1131 N GLN A 71 10.650 3.790 -2.375 1.00 0.00 N ATOM 1132 CA GLN A 71 9.657 4.613 -1.700 1.00 0.00 C ATOM 1133 C GLN A 71 9.788 4.495 -0.183 1.00 0.00 C ATOM 1134 O GLN A 71 10.040 5.482 0.508 1.00 0.00 O ATOM 1135 CB GLN A 71 8.255 4.169 -2.125 1.00 0.00 C ATOM 1136 CG GLN A 71 7.155 5.149 -1.755 1.00 0.00 C ATOM 1137 CD GLN A 71 7.233 6.454 -2.519 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.690 6.499 -3.662 1.00 0.00 O ATOM 1139 NE2 GLN A 71 6.782 7.528 -1.892 1.00 0.00 N ATOM 0 H GLN A 71 10.316 2.862 -2.635 1.00 0.00 H new ATOM 0 HA GLN A 71 9.822 5.653 -1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.245 4.019 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.037 3.204 -1.667 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.187 4.685 -1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.208 5.358 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.411 7.448 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.805 8.436 -2.355 1.00 0.00 H new ATOM 1148 N LEU A 72 9.623 3.277 0.317 1.00 0.00 N ATOM 1149 CA LEU A 72 9.590 3.021 1.755 1.00 0.00 C ATOM 1150 C LEU A 72 10.932 3.285 2.431 1.00 0.00 C ATOM 1151 O LEU A 72 10.979 3.860 3.517 1.00 0.00 O ATOM 1152 CB LEU A 72 9.136 1.587 2.036 1.00 0.00 C ATOM 1153 CG LEU A 72 7.674 1.286 1.692 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.395 -0.203 1.814 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.730 2.066 2.597 1.00 0.00 C ATOM 0 H LEU A 72 9.509 2.442 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 72 8.870 3.721 2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.773 0.905 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.295 1.373 3.093 1.00 0.00 H new ATOM 0 HG LEU A 72 7.501 1.597 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.352 -0.399 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.040 -0.752 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.592 -0.528 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.698 1.835 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.909 1.788 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.906 3.134 2.472 1.00 0.00 H new ATOM 1167 N ALA A 73 12.024 2.879 1.790 1.00 0.00 N ATOM 1168 CA ALA A 73 13.357 3.039 2.366 1.00 0.00 C ATOM 1169 C ALA A 73 13.855 4.481 2.288 1.00 0.00 C ATOM 1170 O ALA A 73 15.057 4.728 2.160 1.00 0.00 O ATOM 1171 CB ALA A 73 14.335 2.105 1.680 1.00 0.00 C ATOM 0 H ALA A 73 12.013 2.436 0.871 1.00 0.00 H new ATOM 0 HA ALA A 73 13.288 2.782 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.326 2.232 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.008 1.074 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.375 2.337 0.616 1.00 0.00 H new ATOM 1177 N HIS A 74 12.933 5.425 2.384 1.00 0.00 N ATOM 1178 CA HIS A 74 13.272 6.838 2.346 1.00 0.00 C ATOM 1179 C HIS A 74 13.919 7.242 3.668 1.00 0.00 C ATOM 1180 O HIS A 74 13.246 7.707 4.590 1.00 0.00 O ATOM 1181 CB HIS A 74 12.017 7.683 2.070 1.00 0.00 C ATOM 1182 CG HIS A 74 12.300 9.131 1.807 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.935 10.139 2.671 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.902 9.740 0.756 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.298 11.302 2.165 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.888 11.089 1.005 1.00 0.00 N ATOM 0 H HIS A 74 11.936 5.236 2.490 1.00 0.00 H new ATOM 0 HA HIS A 74 13.981 7.017 1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.492 7.265 1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.344 7.605 2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.316 9.254 -0.115 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.139 12.267 2.624 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.271 11.809 0.393 1.00 0.00 H new ATOM 1195 N GLY A 75 15.226 7.042 3.755 1.00 0.00 N ATOM 1196 CA GLY A 75 15.951 7.350 4.972 1.00 0.00 C ATOM 1197 C GLY A 75 16.238 6.116 5.808 1.00 0.00 C ATOM 1198 O GLY A 75 16.457 6.217 7.017 1.00 0.00 O ATOM 0 H GLY A 75 15.801 6.669 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.891 7.838 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.374 8.060 5.565 1.00 0.00 H new ATOM 1202 N ARG A 76 16.248 4.951 5.169 1.00 0.00 N ATOM 1203 CA ARG A 76 16.523 3.694 5.863 1.00 0.00 C ATOM 1204 C ARG A 76 17.276 2.718 4.965 1.00 0.00 C ATOM 1205 O ARG A 76 17.362 2.914 3.750 1.00 0.00 O ATOM 1206 CB ARG A 76 15.228 3.037 6.343 1.00 0.00 C ATOM 1207 CG ARG A 76 14.857 3.363 7.778 1.00 0.00 C ATOM 1208 CD ARG A 76 13.851 2.362 8.318 1.00 0.00 C ATOM 1209 NE ARG A 76 13.373 2.713 9.651 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.677 1.888 10.431 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.388 0.657 10.020 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.275 2.291 11.628 1.00 0.00 N ATOM 0 H ARG A 76 16.069 4.849 4.170 1.00 0.00 H new ATOM 0 HA ARG A 76 17.145 3.935 6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.413 3.348 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.323 1.956 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.752 3.357 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.440 4.369 7.831 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.003 2.300 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.308 1.373 8.348 1.00 0.00 H new ATOM 0 HE ARG A 76 13.584 3.645 10.007 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.700 0.339 9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.855 0.030 10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.499 3.232 11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.742 1.660 12.226 1.00 0.00 H new ATOM 1226 N ASP A 77 17.825 1.675 5.585 1.00 0.00 N ATOM 1227 CA ASP A 77 18.508 0.601 4.872 1.00 0.00 C ATOM 1228 C ASP A 77 17.565 -0.093 3.902 1.00 0.00 C ATOM 1229 O ASP A 77 16.664 -0.832 4.304 1.00 0.00 O ATOM 1230 CB ASP A 77 19.079 -0.425 5.853 1.00 0.00 C ATOM 1231 CG ASP A 77 20.209 0.130 6.695 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.384 -0.049 6.308 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.930 0.745 7.746 1.00 0.00 O ATOM 0 H ASP A 77 17.808 1.552 6.597 1.00 0.00 H new ATOM 0 HA ASP A 77 19.327 1.048 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.282 -0.776 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.438 -1.291 5.297 1.00 0.00 H new ATOM 1238 N ALA A 78 17.798 0.160 2.623 1.00 0.00 N ATOM 1239 CA ALA A 78 16.979 -0.376 1.543 1.00 0.00 C ATOM 1240 C ALA A 78 16.872 -1.897 1.593 1.00 0.00 C ATOM 1241 O ALA A 78 15.821 -2.459 1.302 1.00 0.00 O ATOM 1242 CB ALA A 78 17.558 0.063 0.213 1.00 0.00 C ATOM 0 H ALA A 78 18.567 0.748 2.301 1.00 0.00 H new ATOM 0 HA ALA A 78 15.969 0.016 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.949 -0.335 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.565 1.152 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.577 -0.311 0.119 1.00 0.00 H new ATOM 1248 N GLU A 79 17.962 -2.554 1.968 1.00 0.00 N ATOM 1249 CA GLU A 79 17.994 -4.012 2.028 1.00 0.00 C ATOM 1250 C GLU A 79 17.005 -4.548 3.060 1.00 0.00 C ATOM 1251 O GLU A 79 16.244 -5.477 2.779 1.00 0.00 O ATOM 1252 CB GLU A 79 19.402 -4.498 2.347 1.00 0.00 C ATOM 1253 CG GLU A 79 20.380 -4.290 1.208 1.00 0.00 C ATOM 1254 CD GLU A 79 21.764 -4.798 1.539 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.681 -3.966 1.707 1.00 0.00 O ATOM 1256 OE2 GLU A 79 21.939 -6.027 1.653 1.00 0.00 O ATOM 0 H GLU A 79 18.836 -2.102 2.235 1.00 0.00 H new ATOM 0 HA GLU A 79 17.699 -4.393 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.768 -3.975 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.365 -5.559 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.011 -4.800 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.433 -3.228 0.967 1.00 0.00 H new ATOM 1263 N GLU A 80 17.011 -3.955 4.246 1.00 0.00 N ATOM 1264 CA GLU A 80 16.089 -4.346 5.303 1.00 0.00 C ATOM 1265 C GLU A 80 14.651 -4.078 4.878 1.00 0.00 C ATOM 1266 O GLU A 80 13.761 -4.901 5.102 1.00 0.00 O ATOM 1267 CB GLU A 80 16.415 -3.589 6.584 1.00 0.00 C ATOM 1268 CG GLU A 80 17.721 -4.026 7.223 1.00 0.00 C ATOM 1269 CD GLU A 80 17.666 -5.454 7.726 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.354 -5.654 8.918 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.929 -6.385 6.935 1.00 0.00 O ATOM 0 H GLU A 80 17.646 -3.199 4.501 1.00 0.00 H new ATOM 0 HA GLU A 80 16.199 -5.414 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.465 -2.522 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.604 -3.730 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.528 -3.930 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.958 -3.360 8.053 1.00 0.00 H new ATOM 1278 N VAL A 81 14.444 -2.926 4.254 1.00 0.00 N ATOM 1279 CA VAL A 81 13.140 -2.551 3.725 1.00 0.00 C ATOM 1280 C VAL A 81 12.658 -3.548 2.670 1.00 0.00 C ATOM 1281 O VAL A 81 11.515 -4.006 2.716 1.00 0.00 O ATOM 1282 CB VAL A 81 13.187 -1.137 3.134 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.889 -0.788 2.427 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.475 -0.151 4.241 1.00 0.00 C ATOM 0 H VAL A 81 15.172 -2.228 4.101 1.00 0.00 H new ATOM 0 HA VAL A 81 12.430 -2.566 4.552 1.00 0.00 H new ATOM 0 HB VAL A 81 13.981 -1.092 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.956 0.221 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.715 -1.496 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.063 -0.838 3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.510 0.858 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.688 -0.209 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.434 -0.389 4.700 1.00 0.00 H new ATOM 1294 N ARG A 82 13.537 -3.879 1.723 1.00 0.00 N ATOM 1295 CA ARG A 82 13.248 -4.880 0.704 1.00 0.00 C ATOM 1296 C ARG A 82 12.793 -6.180 1.352 1.00 0.00 C ATOM 1297 O ARG A 82 11.807 -6.785 0.935 1.00 0.00 O ATOM 1298 CB ARG A 82 14.491 -5.145 -0.141 1.00 0.00 C ATOM 1299 CG ARG A 82 14.204 -5.975 -1.374 1.00 0.00 C ATOM 1300 CD ARG A 82 15.484 -6.448 -2.031 1.00 0.00 C ATOM 1301 NE ARG A 82 15.230 -7.101 -3.313 1.00 0.00 N ATOM 1302 CZ ARG A 82 15.975 -8.090 -3.806 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.024 -8.540 -3.126 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.670 -8.626 -4.981 1.00 0.00 N ATOM 0 H ARG A 82 14.464 -3.461 1.644 1.00 0.00 H new ATOM 0 HA ARG A 82 12.451 -4.499 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.927 -4.193 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.236 -5.656 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.593 -6.836 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.625 -5.386 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.150 -5.598 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.998 -7.142 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 82 14.434 -6.780 -3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.261 -8.128 -2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.592 -9.297 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.866 -8.281 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.239 -9.383 -5.359 1.00 0.00 H new ATOM 1318 N THR A 83 13.521 -6.585 2.381 1.00 0.00 N ATOM 1319 CA THR A 83 13.217 -7.799 3.116 1.00 0.00 C ATOM 1320 C THR A 83 11.820 -7.728 3.734 1.00 0.00 C ATOM 1321 O THR A 83 10.996 -8.620 3.530 1.00 0.00 O ATOM 1322 CB THR A 83 14.282 -8.033 4.204 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.504 -8.469 3.591 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.826 -9.050 5.240 1.00 0.00 C ATOM 0 H THR A 83 14.337 -6.081 2.728 1.00 0.00 H new ATOM 0 HA THR A 83 13.232 -8.639 2.422 1.00 0.00 H new ATOM 0 HB THR A 83 14.443 -7.089 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.987 -7.693 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.608 -9.184 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.918 -8.693 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.625 -10.003 4.751 1.00 0.00 H new ATOM 1332 N GLU A 84 11.557 -6.650 4.469 1.00 0.00 N ATOM 1333 CA GLU A 84 10.248 -6.429 5.085 1.00 0.00 C ATOM 1334 C GLU A 84 9.127 -6.500 4.050 1.00 0.00 C ATOM 1335 O GLU A 84 8.082 -7.106 4.296 1.00 0.00 O ATOM 1336 CB GLU A 84 10.191 -5.074 5.795 1.00 0.00 C ATOM 1337 CG GLU A 84 10.991 -5.015 7.083 1.00 0.00 C ATOM 1338 CD GLU A 84 10.599 -6.107 8.053 1.00 0.00 C ATOM 1339 OE1 GLU A 84 9.523 -5.996 8.680 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.364 -7.079 8.196 1.00 0.00 O ATOM 0 H GLU A 84 12.236 -5.912 4.654 1.00 0.00 H new ATOM 0 HA GLU A 84 10.106 -7.223 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.559 -4.304 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.151 -4.835 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.053 -5.101 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.845 -4.043 7.555 1.00 0.00 H new ATOM 1347 N VAL A 85 9.345 -5.864 2.902 1.00 0.00 N ATOM 1348 CA VAL A 85 8.390 -5.904 1.804 1.00 0.00 C ATOM 1349 C VAL A 85 8.147 -7.341 1.342 1.00 0.00 C ATOM 1350 O VAL A 85 7.007 -7.787 1.250 1.00 0.00 O ATOM 1351 CB VAL A 85 8.884 -5.062 0.609 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.070 -5.360 -0.638 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.823 -3.584 0.945 1.00 0.00 C ATOM 0 H VAL A 85 10.181 -5.312 2.710 1.00 0.00 H new ATOM 0 HA VAL A 85 7.454 -5.484 2.173 1.00 0.00 H new ATOM 0 HB VAL A 85 9.921 -5.331 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.438 -4.754 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.165 -6.416 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.022 -5.124 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.174 -3.002 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.795 -3.305 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.456 -3.381 1.809 1.00 0.00 H new ATOM 1363 N LEU A 86 9.233 -8.060 1.071 1.00 0.00 N ATOM 1364 CA LEU A 86 9.159 -9.431 0.576 1.00 0.00 C ATOM 1365 C LEU A 86 8.456 -10.355 1.569 1.00 0.00 C ATOM 1366 O LEU A 86 7.898 -11.383 1.186 1.00 0.00 O ATOM 1367 CB LEU A 86 10.560 -9.961 0.292 1.00 0.00 C ATOM 1368 CG LEU A 86 11.280 -9.293 -0.872 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.761 -9.622 -0.828 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.672 -9.735 -2.190 1.00 0.00 C ATOM 0 H LEU A 86 10.184 -7.711 1.188 1.00 0.00 H new ATOM 0 HA LEU A 86 8.575 -9.416 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.166 -9.842 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.493 -11.030 0.092 1.00 0.00 H new ATOM 0 HG LEU A 86 11.163 -8.213 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.266 -9.139 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.186 -9.262 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.896 -10.701 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.196 -9.250 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.764 -10.817 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.619 -9.456 -2.216 1.00 0.00 H new ATOM 1382 N LYS A 87 8.487 -9.987 2.843 1.00 0.00 N ATOM 1383 CA LYS A 87 7.825 -10.769 3.883 1.00 0.00 C ATOM 1384 C LYS A 87 6.325 -10.493 3.879 1.00 0.00 C ATOM 1385 O LYS A 87 5.556 -11.130 4.598 1.00 0.00 O ATOM 1386 CB LYS A 87 8.414 -10.443 5.257 1.00 0.00 C ATOM 1387 CG LYS A 87 9.884 -10.808 5.393 1.00 0.00 C ATOM 1388 CD LYS A 87 10.425 -10.463 6.772 1.00 0.00 C ATOM 1389 CE LYS A 87 9.851 -11.377 7.843 1.00 0.00 C ATOM 1390 NZ LYS A 87 10.233 -12.797 7.620 1.00 0.00 N ATOM 0 H LYS A 87 8.963 -9.152 3.183 1.00 0.00 H new ATOM 0 HA LYS A 87 7.990 -11.826 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.294 -9.377 5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.845 -10.972 6.021 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.013 -11.875 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.461 -10.281 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.512 -10.544 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.184 -9.427 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.204 -11.055 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.765 -11.290 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.080 -13.339 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.650 -13.198 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.236 -12.849 7.352 1.00 0.00 H new ATOM 1404 N CYS A 88 5.922 -9.531 3.069 1.00 0.00 N ATOM 1405 CA CYS A 88 4.521 -9.164 2.943 1.00 0.00 C ATOM 1406 C CYS A 88 4.018 -9.405 1.523 1.00 0.00 C ATOM 1407 O CYS A 88 2.822 -9.289 1.247 1.00 0.00 O ATOM 1408 CB CYS A 88 4.335 -7.707 3.350 1.00 0.00 C ATOM 1409 SG CYS A 88 4.261 -7.468 5.153 1.00 0.00 S ATOM 0 H CYS A 88 6.552 -8.984 2.482 1.00 0.00 H new ATOM 0 HA CYS A 88 3.930 -9.793 3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.157 -7.116 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.417 -7.326 2.902 1.00 0.00 H new ATOM 1414 N VAL A 89 4.942 -9.729 0.622 1.00 0.00 N ATOM 1415 CA VAL A 89 4.592 -10.094 -0.737 1.00 0.00 C ATOM 1416 C VAL A 89 4.020 -11.505 -0.760 1.00 0.00 C ATOM 1417 O VAL A 89 4.723 -12.476 -0.481 1.00 0.00 O ATOM 1418 CB VAL A 89 5.813 -10.013 -1.677 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.446 -10.493 -3.070 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.361 -8.595 -1.734 1.00 0.00 C ATOM 0 H VAL A 89 5.943 -9.744 0.816 1.00 0.00 H new ATOM 0 HA VAL A 89 3.844 -9.386 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 89 6.590 -10.664 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.319 -10.429 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.106 -11.527 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.649 -9.868 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.221 -8.564 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.589 -7.921 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.667 -8.283 -0.735 1.00 0.00 H new ATOM 1430 N ASP A 90 2.743 -11.607 -1.074 1.00 0.00 N ATOM 1431 CA ASP A 90 2.057 -12.893 -1.075 1.00 0.00 C ATOM 1432 C ASP A 90 1.256 -13.087 -2.351 1.00 0.00 C ATOM 1433 O ASP A 90 1.220 -12.208 -3.211 1.00 0.00 O ATOM 1434 CB ASP A 90 1.135 -13.012 0.136 1.00 0.00 C ATOM 1435 CG ASP A 90 1.849 -13.508 1.377 1.00 0.00 C ATOM 1436 OD1 ASP A 90 2.074 -14.731 1.484 1.00 0.00 O ATOM 1437 OD2 ASP A 90 2.166 -12.685 2.261 1.00 0.00 O ATOM 0 H ASP A 90 2.155 -10.815 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 90 2.818 -13.672 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.690 -12.039 0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.317 -13.692 -0.102 1.00 0.00 H new ATOM 1442 N LYS A 91 0.602 -14.237 -2.452 1.00 0.00 N ATOM 1443 CA LYS A 91 -0.141 -14.608 -3.649 1.00 0.00 C ATOM 1444 C LYS A 91 -1.565 -14.075 -3.590 1.00 0.00 C ATOM 1445 O LYS A 91 -2.112 -13.832 -2.509 1.00 0.00 O ATOM 1446 CB LYS A 91 -0.183 -16.129 -3.794 1.00 0.00 C ATOM 1447 CG LYS A 91 1.130 -16.809 -3.466 1.00 0.00 C ATOM 1448 CD LYS A 91 1.067 -18.305 -3.726 1.00 0.00 C ATOM 1449 CE LYS A 91 2.356 -19.001 -3.314 1.00 0.00 C ATOM 1450 NZ LYS A 91 3.549 -18.402 -3.973 1.00 0.00 N ATOM 0 H LYS A 91 0.572 -14.936 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 91 0.368 -14.170 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.960 -16.526 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.466 -16.380 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.928 -16.369 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.381 -16.631 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.229 -18.735 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.879 -18.483 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.471 -18.940 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.294 -20.059 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.372 -19.022 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.367 -18.297 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.743 -17.468 -3.558 1.00 0.00 H new ATOM 1464 N ASN A 92 -2.167 -13.905 -4.757 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.543 -13.452 -4.850 1.00 0.00 C ATOM 1466 C ASN A 92 -4.502 -14.619 -4.701 1.00 0.00 C ATOM 1467 O ASN A 92 -5.237 -14.953 -5.627 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.821 -12.714 -6.176 1.00 0.00 C ATOM 1469 CG ASN A 92 -3.116 -13.280 -7.405 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -2.000 -13.798 -7.338 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -3.778 -13.181 -8.550 1.00 0.00 N ATOM 0 H ASN A 92 -1.719 -14.076 -5.657 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.702 -12.747 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.896 -12.724 -6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.528 -11.671 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.365 -13.540 -9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.700 -12.746 -8.570 1.00 0.00 H new ATOM 1478 N THR A 93 -4.495 -15.232 -3.528 1.00 0.00 N ATOM 1479 CA THR A 93 -5.344 -16.387 -3.254 1.00 0.00 C ATOM 1480 C THR A 93 -6.829 -16.022 -3.328 1.00 0.00 C ATOM 1481 O THR A 93 -7.693 -16.893 -3.429 1.00 0.00 O ATOM 1482 CB THR A 93 -5.017 -17.010 -1.874 1.00 0.00 C ATOM 1483 OG1 THR A 93 -5.864 -18.138 -1.616 1.00 0.00 O ATOM 1484 CG2 THR A 93 -5.164 -15.994 -0.752 1.00 0.00 C ATOM 0 H THR A 93 -3.908 -14.949 -2.744 1.00 0.00 H new ATOM 0 HA THR A 93 -5.135 -17.127 -4.026 1.00 0.00 H new ATOM 0 HB THR A 93 -3.978 -17.338 -1.905 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.625 -18.124 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.927 -16.467 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.482 -15.161 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.189 -15.624 -0.728 1.00 0.00 H new ATOM 1492 N ASP A 94 -7.120 -14.730 -3.295 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.494 -14.256 -3.390 1.00 0.00 C ATOM 1494 C ASP A 94 -8.889 -14.027 -4.851 1.00 0.00 C ATOM 1495 O ASP A 94 -10.063 -13.833 -5.172 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.661 -12.969 -2.579 1.00 0.00 C ATOM 1497 CG ASP A 94 -10.106 -12.525 -2.471 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -10.428 -11.417 -2.941 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -10.923 -13.284 -1.909 1.00 0.00 O ATOM 0 H ASP A 94 -6.423 -13.991 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.155 -15.019 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.257 -13.121 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.075 -12.175 -3.042 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.881 -14.094 -5.729 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.045 -13.874 -7.170 1.00 0.00 C ATOM 1506 C ASN A 95 -8.692 -12.519 -7.439 1.00 0.00 C ATOM 1507 O ASN A 95 -9.602 -12.395 -8.253 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.875 -14.995 -7.799 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.847 -14.981 -9.321 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.690 -14.690 -9.899 1.00 0.00 O flip ATOM 1511 ND2 ASN A 95 -9.851 -15.266 -9.974 1.00 0.00 N flip ATOM 0 H ASN A 95 -6.921 -14.304 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.056 -13.881 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.503 -15.956 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.907 -14.908 -7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.725 -15.485 -9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.809 -15.283 -10.993 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.210 -11.507 -6.741 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.774 -10.170 -6.824 1.00 0.00 C ATOM 1520 C ASN A 96 -7.706 -9.141 -6.486 1.00 0.00 C ATOM 1521 O ASN A 96 -7.128 -9.169 -5.398 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.963 -10.070 -5.862 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.401 -8.646 -5.563 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.269 -7.742 -6.390 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -10.928 -8.445 -4.366 1.00 0.00 N ATOM 0 H ASN A 96 -7.419 -11.587 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.125 -9.971 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.806 -10.617 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.701 -10.562 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.244 -7.513 -4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.019 -9.222 -3.712 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.452 -8.237 -7.428 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.393 -7.246 -7.292 1.00 0.00 C ATOM 1534 C ALA A 97 -6.638 -6.315 -6.111 1.00 0.00 C ATOM 1535 O ALA A 97 -5.689 -5.862 -5.471 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.247 -6.447 -8.578 1.00 0.00 C ATOM 0 H ALA A 97 -7.973 -8.172 -8.303 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.463 -7.781 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.452 -5.711 -8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.000 -7.120 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.185 -5.937 -8.798 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.904 -6.035 -5.815 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.244 -5.193 -4.673 1.00 0.00 C ATOM 1544 C CYS A 98 -7.781 -5.844 -3.376 1.00 0.00 C ATOM 1545 O CYS A 98 -7.236 -5.183 -2.496 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.752 -4.928 -4.597 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.456 -4.120 -6.071 1.00 0.00 S ATOM 0 H CYS A 98 -8.706 -6.376 -6.346 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.732 -4.240 -4.809 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.266 -5.876 -4.438 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.955 -4.305 -3.726 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.966 -7.152 -3.278 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.639 -7.876 -2.058 1.00 0.00 C ATOM 1554 C HIS A 99 -6.152 -8.207 -2.025 1.00 0.00 C ATOM 1555 O HIS A 99 -5.568 -8.390 -0.961 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.459 -9.161 -1.979 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.652 -9.687 -0.591 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.681 -10.372 0.107 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -9.729 -9.630 0.228 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.156 -10.713 1.291 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -9.393 -10.274 1.387 1.00 0.00 N ATOM 0 H HIS A 99 -8.340 -7.734 -4.028 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.879 -7.246 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.437 -8.982 -2.426 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.970 -9.927 -2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.677 -9.163 0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.620 -11.260 2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.003 -10.395 2.196 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.552 -8.280 -3.205 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.138 -8.616 -3.334 1.00 0.00 C ATOM 1572 C TRP A 100 -3.267 -7.445 -2.887 1.00 0.00 C ATOM 1573 O TRP A 100 -2.395 -7.600 -2.032 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.815 -9.002 -4.784 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.438 -9.570 -4.967 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.547 -9.901 -3.989 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.806 -9.893 -6.211 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.399 -10.398 -4.546 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.532 -10.407 -5.909 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.192 -9.796 -7.552 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.358 -10.821 -6.895 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.310 -10.209 -8.529 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.047 -10.716 -8.199 1.00 0.00 C ATOM 0 H TRP A 100 -6.025 -8.110 -4.093 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.923 -9.469 -2.690 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.548 -9.732 -5.128 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.922 -8.121 -5.417 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.721 -9.788 -2.929 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.423 -10.711 -4.029 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.163 -9.405 -7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.333 -11.211 -6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.599 -10.140 -9.567 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.620 -11.030 -8.988 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.519 -6.274 -3.462 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.777 -5.075 -3.105 1.00 0.00 C ATOM 1596 C ALA A 101 -3.013 -4.720 -1.647 1.00 0.00 C ATOM 1597 O ALA A 101 -2.108 -4.262 -0.948 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.181 -3.917 -4.000 1.00 0.00 C ATOM 0 H ALA A 101 -4.232 -6.132 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.714 -5.271 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.617 -3.027 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.969 -4.169 -5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.247 -3.722 -3.884 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.235 -4.960 -1.194 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.602 -4.675 0.179 1.00 0.00 C ATOM 1606 C PHE A 102 -3.881 -5.620 1.134 1.00 0.00 C ATOM 1607 O PHE A 102 -3.561 -5.248 2.256 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.113 -4.779 0.359 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.586 -4.370 1.726 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.011 -5.315 2.649 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.607 -3.031 2.087 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.446 -4.930 3.904 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.041 -2.643 3.340 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.461 -3.593 4.249 1.00 0.00 C ATOM 0 H PHE A 102 -4.987 -5.352 -1.760 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.297 -3.655 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.603 -4.154 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.423 -5.806 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.002 -6.362 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.280 -2.283 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.774 -5.675 4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.052 -1.597 3.608 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.801 -3.291 5.229 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.611 -6.838 0.669 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.924 -7.834 1.482 1.00 0.00 C ATOM 1626 C ARG A 103 -1.505 -7.373 1.783 1.00 0.00 C ATOM 1627 O ARG A 103 -1.046 -7.439 2.924 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.886 -9.187 0.770 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.317 -10.289 1.644 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.316 -11.647 0.950 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.934 -12.716 1.873 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.756 -13.990 1.521 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.917 -14.374 0.259 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.402 -14.883 2.433 1.00 0.00 N ATOM 0 H ARG A 103 -3.859 -7.157 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.474 -7.949 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.895 -9.459 0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.286 -9.100 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.297 -10.031 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.899 -10.355 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.307 -11.851 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.625 -11.627 0.108 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.794 -12.470 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.179 -13.692 -0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.778 -15.351 0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.266 -14.596 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.265 -15.858 2.166 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.827 -6.892 0.749 1.00 0.00 N ATOM 1649 CA GLY A 104 0.527 -6.400 0.909 1.00 0.00 C ATOM 1650 C GLY A 104 0.589 -5.210 1.847 1.00 0.00 C ATOM 1651 O GLY A 104 1.431 -5.157 2.745 1.00 0.00 O ATOM 0 H GLY A 104 -1.193 -6.834 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.161 -7.199 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.928 -6.116 -0.064 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.324 -4.267 1.645 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.387 -3.065 2.462 1.00 0.00 C ATOM 1657 C PHE A 105 -0.717 -3.410 3.911 1.00 0.00 C ATOM 1658 O PHE A 105 -0.048 -2.955 4.836 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.425 -2.101 1.877 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.723 -0.907 2.740 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.695 -0.107 3.213 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.030 -0.574 3.063 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.967 1.000 3.993 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.304 0.531 3.844 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.270 1.318 4.310 1.00 0.00 C ATOM 0 H PHE A 105 -1.035 -4.315 0.916 1.00 0.00 H new ATOM 0 HA PHE A 105 0.589 -2.579 2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.072 -1.753 0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.352 -2.647 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.328 -0.351 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.842 -1.186 2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.158 1.617 4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.326 0.779 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.482 2.182 4.922 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.731 -4.248 4.089 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.206 -4.642 5.414 1.00 0.00 C ATOM 1677 C LYS A 106 -1.109 -5.343 6.212 1.00 0.00 C ATOM 1678 O LYS A 106 -0.913 -5.059 7.394 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.445 -5.540 5.273 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.648 -6.527 6.405 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.762 -7.509 6.077 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.924 -8.572 7.152 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.028 -9.515 6.836 1.00 0.00 N ATOM 0 H LYS A 106 -2.248 -4.675 3.321 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.481 -3.743 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.329 -4.906 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.371 -6.093 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.721 -7.071 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.890 -5.990 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.700 -6.966 5.961 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.551 -7.990 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.992 -9.127 7.258 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.120 -8.092 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.184 -10.150 7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.898 -8.979 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.775 -10.077 5.998 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.392 -6.250 5.557 1.00 0.00 N ATOM 1698 CA CYS A 107 0.687 -6.984 6.201 1.00 0.00 C ATOM 1699 C CYS A 107 1.792 -6.041 6.662 1.00 0.00 C ATOM 1700 O CYS A 107 2.296 -6.151 7.782 1.00 0.00 O ATOM 1701 CB CYS A 107 1.254 -8.031 5.235 1.00 0.00 C ATOM 1702 SG CYS A 107 2.834 -8.781 5.767 1.00 0.00 S ATOM 0 H CYS A 107 -0.541 -6.494 4.578 1.00 0.00 H new ATOM 0 HA CYS A 107 0.284 -7.487 7.080 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.517 -8.823 5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.398 -7.566 4.260 1.00 0.00 H new ATOM 1707 N PHE A 108 2.142 -5.098 5.801 1.00 0.00 N ATOM 1708 CA PHE A 108 3.277 -4.226 6.042 1.00 0.00 C ATOM 1709 C PHE A 108 2.939 -3.177 7.099 1.00 0.00 C ATOM 1710 O PHE A 108 3.691 -2.985 8.057 1.00 0.00 O ATOM 1711 CB PHE A 108 3.696 -3.561 4.734 1.00 0.00 C ATOM 1712 CG PHE A 108 5.089 -2.996 4.748 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.149 -3.731 4.240 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.340 -1.736 5.263 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.429 -3.219 4.245 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.621 -1.220 5.271 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.666 -1.962 4.761 1.00 0.00 C ATOM 0 H PHE A 108 1.652 -4.918 4.925 1.00 0.00 H new ATOM 0 HA PHE A 108 4.108 -4.821 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.620 -4.291 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.993 -2.760 4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.970 -4.716 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.526 -1.150 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.246 -3.802 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.804 -0.236 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.668 -1.559 4.766 1.00 0.00 H new ATOM 1727 N GLN A 109 1.787 -2.526 6.943 1.00 0.00 N ATOM 1728 CA GLN A 109 1.371 -1.461 7.854 1.00 0.00 C ATOM 1729 C GLN A 109 1.031 -2.012 9.235 1.00 0.00 C ATOM 1730 O GLN A 109 0.834 -1.255 10.184 1.00 0.00 O ATOM 1731 CB GLN A 109 0.171 -0.701 7.277 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.141 -1.479 7.268 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.092 -1.052 8.376 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.080 0.098 8.815 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.934 -1.970 8.827 1.00 0.00 N ATOM 0 H GLN A 109 1.124 -2.718 6.192 1.00 0.00 H new ATOM 0 HA GLN A 109 2.208 -0.771 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.029 0.214 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.406 -0.403 6.255 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.631 -1.343 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.927 -2.543 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.915 -2.913 8.440 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.601 -1.733 9.562 1.00 0.00 H new ATOM 1744 N LYS A 110 0.966 -3.332 9.342 1.00 0.00 N ATOM 1745 CA LYS A 110 0.663 -3.984 10.599 1.00 0.00 C ATOM 1746 C LYS A 110 1.781 -3.763 11.613 1.00 0.00 C ATOM 1747 O LYS A 110 1.526 -3.623 12.807 1.00 0.00 O ATOM 1748 CB LYS A 110 0.446 -5.478 10.366 1.00 0.00 C ATOM 1749 CG LYS A 110 0.142 -6.253 11.630 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.168 -7.710 11.337 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.462 -8.477 12.614 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.639 -7.925 13.338 1.00 0.00 N ATOM 0 H LYS A 110 1.121 -3.973 8.564 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.250 -3.547 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.376 -5.611 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.337 -5.897 9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.994 -6.192 12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.706 -5.797 12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.024 -7.774 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.676 -8.167 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.643 -9.525 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.412 -8.445 13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.951 -8.603 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.377 -7.028 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.414 -7.757 12.665 1.00 0.00 H new ATOM 1766 N ASN A 111 3.018 -3.719 11.138 1.00 0.00 N ATOM 1767 CA ASN A 111 4.156 -3.586 12.038 1.00 0.00 C ATOM 1768 C ASN A 111 5.100 -2.468 11.592 1.00 0.00 C ATOM 1769 O ASN A 111 5.881 -1.951 12.393 1.00 0.00 O ATOM 1770 CB ASN A 111 4.895 -4.931 12.150 1.00 0.00 C ATOM 1771 CG ASN A 111 6.215 -4.981 11.401 1.00 0.00 C ATOM 1772 OD1 ASN A 111 7.268 -4.648 11.946 1.00 0.00 O ATOM 1773 ND2 ASN A 111 6.171 -5.425 10.155 1.00 0.00 N ATOM 0 H ASN A 111 3.258 -3.773 10.148 1.00 0.00 H new ATOM 0 HA ASN A 111 3.783 -3.310 13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.079 -5.145 13.203 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.246 -5.722 11.773 1.00 0.00 H new ATOM 0 HD21 ASN A 111 7.030 -5.501 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.278 -5.691 9.740 1.00 0.00 H new ATOM 1780 N ASN A 112 5.009 -2.071 10.329 1.00 0.00 N ATOM 1781 CA ASN A 112 5.901 -1.048 9.786 1.00 0.00 C ATOM 1782 C ASN A 112 5.110 0.116 9.201 1.00 0.00 C ATOM 1783 O ASN A 112 5.335 0.518 8.059 1.00 0.00 O ATOM 1784 CB ASN A 112 6.810 -1.642 8.705 1.00 0.00 C ATOM 1785 CG ASN A 112 7.887 -2.558 9.254 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.458 -2.311 10.315 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.154 -3.642 8.541 1.00 0.00 N ATOM 0 H ASN A 112 4.330 -2.438 9.662 1.00 0.00 H new ATOM 0 HA ASN A 112 6.514 -0.678 10.607 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.199 -2.198 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.282 -0.830 8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.855 -4.307 8.867 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.659 -3.811 7.666 1.00 0.00 H new ATOM 1794 N LEU A 113 4.191 0.667 9.981 1.00 0.00 N ATOM 1795 CA LEU A 113 3.358 1.762 9.496 1.00 0.00 C ATOM 1796 C LEU A 113 4.083 3.095 9.628 1.00 0.00 C ATOM 1797 O LEU A 113 3.907 3.997 8.806 1.00 0.00 O ATOM 1798 CB LEU A 113 2.018 1.807 10.233 1.00 0.00 C ATOM 1799 CG LEU A 113 1.138 3.012 9.902 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.720 2.980 8.442 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.081 3.036 10.805 1.00 0.00 C ATOM 0 H LEU A 113 4.003 0.379 10.941 1.00 0.00 H new ATOM 0 HA LEU A 113 3.157 1.581 8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.463 0.897 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.210 1.801 11.306 1.00 0.00 H new ATOM 0 HG LEU A 113 1.714 3.921 10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.094 3.845 8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.607 3.005 7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.159 2.067 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.699 3.899 10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.659 2.123 10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.238 3.103 11.845 1.00 0.00 H new ATOM 1813 N SER A 114 4.913 3.208 10.654 1.00 0.00 N ATOM 1814 CA SER A 114 5.676 4.425 10.889 1.00 0.00 C ATOM 1815 C SER A 114 6.634 4.681 9.728 1.00 0.00 C ATOM 1816 O SER A 114 6.894 5.831 9.363 1.00 0.00 O ATOM 1817 CB SER A 114 6.443 4.304 12.205 1.00 0.00 C ATOM 1818 OG SER A 114 5.581 3.883 13.252 1.00 0.00 O ATOM 0 H SER A 114 5.076 2.470 11.339 1.00 0.00 H new ATOM 0 HA SER A 114 4.992 5.271 10.958 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.260 3.591 12.091 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.891 5.264 12.460 1.00 0.00 H new ATOM 0 HG SER A 114 6.091 3.810 14.086 1.00 0.00 H new ATOM 1824 N LEU A 115 7.137 3.602 9.140 1.00 0.00 N ATOM 1825 CA LEU A 115 7.994 3.693 7.970 1.00 0.00 C ATOM 1826 C LEU A 115 7.215 4.254 6.789 1.00 0.00 C ATOM 1827 O LEU A 115 7.722 5.084 6.041 1.00 0.00 O ATOM 1828 CB LEU A 115 8.553 2.317 7.611 1.00 0.00 C ATOM 1829 CG LEU A 115 9.492 2.297 6.407 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.688 3.193 6.666 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.936 0.875 6.099 1.00 0.00 C ATOM 0 H LEU A 115 6.963 2.649 9.459 1.00 0.00 H new ATOM 0 HA LEU A 115 8.822 4.362 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.086 1.921 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.720 1.643 7.414 1.00 0.00 H new ATOM 0 HG LEU A 115 8.957 2.677 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.352 3.172 5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.347 4.214 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.225 2.837 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.604 0.881 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.459 0.462 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.063 0.261 5.876 1.00 0.00 H new ATOM 1843 N ILE A 116 5.972 3.810 6.651 1.00 0.00 N ATOM 1844 CA ILE A 116 5.113 4.240 5.557 1.00 0.00 C ATOM 1845 C ILE A 116 4.864 5.745 5.634 1.00 0.00 C ATOM 1846 O ILE A 116 4.886 6.448 4.623 1.00 0.00 O ATOM 1847 CB ILE A 116 3.771 3.475 5.577 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.018 1.990 5.303 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.798 4.050 4.556 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.773 1.137 5.412 1.00 0.00 C ATOM 0 H ILE A 116 5.534 3.146 7.290 1.00 0.00 H new ATOM 0 HA ILE A 116 5.621 4.016 4.619 1.00 0.00 H new ATOM 0 HB ILE A 116 3.323 3.587 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.438 1.879 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.765 1.619 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.862 3.493 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.606 5.098 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.229 3.971 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.025 0.097 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.364 1.218 6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.032 1.481 4.691 1.00 0.00 H new ATOM 1862 N LYS A 117 4.660 6.230 6.851 1.00 0.00 N ATOM 1863 CA LYS A 117 4.465 7.652 7.091 1.00 0.00 C ATOM 1864 C LYS A 117 5.743 8.434 6.789 1.00 0.00 C ATOM 1865 O LYS A 117 5.693 9.599 6.395 1.00 0.00 O ATOM 1866 CB LYS A 117 4.029 7.889 8.536 1.00 0.00 C ATOM 1867 CG LYS A 117 2.620 7.393 8.831 1.00 0.00 C ATOM 1868 CD LYS A 117 2.235 7.612 10.288 1.00 0.00 C ATOM 1869 CE LYS A 117 0.814 7.146 10.570 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.456 7.286 12.004 1.00 0.00 N ATOM 0 H LYS A 117 4.625 5.654 7.692 1.00 0.00 H new ATOM 0 HA LYS A 117 3.681 8.008 6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.730 7.390 9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.084 8.956 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.910 7.911 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.551 6.332 8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.929 7.074 10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.327 8.670 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.116 7.724 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.708 6.103 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.520 6.957 12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.105 6.714 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.531 8.285 12.285 1.00 0.00 H new ATOM 1884 N ALA A 118 6.885 7.783 6.979 1.00 0.00 N ATOM 1885 CA ALA A 118 8.179 8.396 6.706 1.00 0.00 C ATOM 1886 C ALA A 118 8.493 8.381 5.214 1.00 0.00 C ATOM 1887 O ALA A 118 9.175 9.269 4.704 1.00 0.00 O ATOM 1888 CB ALA A 118 9.260 7.666 7.471 1.00 0.00 C ATOM 0 H ALA A 118 6.940 6.824 7.323 1.00 0.00 H new ATOM 0 HA ALA A 118 8.141 9.436 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.226 8.127 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.051 7.723 8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.283 6.621 7.161 1.00 0.00 H new ATOM 1894 N SER A 119 7.991 7.364 4.527 1.00 0.00 N ATOM 1895 CA SER A 119 8.224 7.199 3.097 1.00 0.00 C ATOM 1896 C SER A 119 7.683 8.386 2.303 1.00 0.00 C ATOM 1897 O SER A 119 8.275 8.805 1.307 1.00 0.00 O ATOM 1898 CB SER A 119 7.565 5.908 2.613 1.00 0.00 C ATOM 1899 OG SER A 119 7.958 4.808 3.411 1.00 0.00 O ATOM 0 H SER A 119 7.413 6.633 4.942 1.00 0.00 H new ATOM 0 HA SER A 119 9.300 7.147 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.481 6.015 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 119 7.838 5.724 1.574 1.00 0.00 H new ATOM 0 HG SER A 119 7.547 4.884 4.298 1.00 0.00 H new ATOM 1905 N ILE A 120 6.559 8.925 2.751 1.00 0.00 N ATOM 1906 CA ILE A 120 5.922 10.042 2.069 1.00 0.00 C ATOM 1907 C ILE A 120 6.295 11.375 2.718 1.00 0.00 C ATOM 1908 O ILE A 120 5.817 12.435 2.304 1.00 0.00 O ATOM 1909 CB ILE A 120 4.389 9.889 2.073 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.873 9.741 3.502 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.977 8.691 1.231 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.374 9.871 3.616 1.00 0.00 C ATOM 0 H ILE A 120 6.068 8.606 3.586 1.00 0.00 H new ATOM 0 HA ILE A 120 6.282 10.036 1.040 1.00 0.00 H new ATOM 0 HB ILE A 120 3.948 10.786 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.176 8.769 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.344 10.497 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.891 8.594 1.242 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.318 8.833 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.426 7.786 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.077 9.755 4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.066 10.853 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.895 9.099 3.014 1.00 0.00 H new ATOM 1924 N LYS A 121 7.137 11.309 3.741 1.00 0.00 N ATOM 1925 CA LYS A 121 7.573 12.495 4.461 1.00 0.00 C ATOM 1926 C LYS A 121 8.849 13.060 3.850 1.00 0.00 C ATOM 1927 O LYS A 121 9.760 12.309 3.500 1.00 0.00 O ATOM 1928 CB LYS A 121 7.813 12.154 5.930 1.00 0.00 C ATOM 1929 CG LYS A 121 8.146 13.361 6.792 1.00 0.00 C ATOM 1930 CD LYS A 121 8.546 12.956 8.202 1.00 0.00 C ATOM 1931 CE LYS A 121 9.856 12.180 8.214 1.00 0.00 C ATOM 1932 NZ LYS A 121 10.299 11.859 9.595 1.00 0.00 N ATOM 0 H LYS A 121 7.534 10.437 4.092 1.00 0.00 H new ATOM 0 HA LYS A 121 6.789 13.249 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.924 11.667 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.629 11.434 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.958 13.923 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.283 14.025 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.645 13.847 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.758 12.346 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.736 11.256 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.628 12.763 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.194 11.331 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.439 12.741 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.575 11.280 10.066 1.00 0.00 H new ATOM 1946 N LYS A 122 8.913 14.376 3.723 1.00 0.00 N ATOM 1947 CA LYS A 122 10.103 15.034 3.214 1.00 0.00 C ATOM 1948 C LYS A 122 10.416 16.299 4.002 1.00 0.00 C ATOM 1949 O LYS A 122 9.715 17.305 3.897 1.00 0.00 O ATOM 1950 CB LYS A 122 9.963 15.344 1.719 1.00 0.00 C ATOM 1951 CG LYS A 122 8.524 15.362 1.214 1.00 0.00 C ATOM 1952 CD LYS A 122 7.851 16.713 1.420 1.00 0.00 C ATOM 1953 CE LYS A 122 8.438 17.778 0.503 1.00 0.00 C ATOM 1954 NZ LYS A 122 7.687 19.059 0.581 1.00 0.00 N ATOM 0 H LYS A 122 8.152 15.010 3.967 1.00 0.00 H new ATOM 0 HA LYS A 122 10.939 14.347 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.419 16.313 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 122 10.526 14.602 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.511 15.111 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.951 14.592 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.781 16.620 1.232 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.966 17.023 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.480 17.952 0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.430 17.415 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.120 19.755 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.698 18.899 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.716 19.420 1.556 1.00 0.00 H new ATOM 1968 N ASP A 123 11.471 16.231 4.798 1.00 0.00 N ATOM 1969 CA ASP A 123 11.913 17.376 5.582 1.00 0.00 C ATOM 1970 C ASP A 123 12.923 18.190 4.790 1.00 0.00 C ATOM 1971 O ASP A 123 12.570 19.291 4.324 1.00 0.00 O ATOM 1972 CB ASP A 123 12.529 16.943 6.919 1.00 0.00 C ATOM 1973 CG ASP A 123 11.498 16.488 7.934 1.00 0.00 C ATOM 1974 OD1 ASP A 123 11.367 15.267 8.158 1.00 0.00 O ATOM 1975 OD2 ASP A 123 10.822 17.357 8.529 1.00 0.00 O ATOM 1976 OXT ASP A 123 14.065 17.712 4.609 1.00 0.00 O ATOM 0 H ASP A 123 12.040 15.393 4.919 1.00 0.00 H new ATOM 0 HA ASP A 123 11.037 17.988 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.235 16.132 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.097 17.775 7.336 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.272 7.364 2.537 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.807 6.008 2.045 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.751 6.193 0.955 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.134 4.853 0.541 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.464 4.214 1.727 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.197 4.458 1.963 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.539 5.463 1.112 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.814 5.896 1.782 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.947 5.308 1.485 1.00 0.00 C HETATM 1991 C10 ACD A 201 2.986 4.243 0.422 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.361 3.634 0.364 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.508 2.345 0.199 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.315 1.470 -0.040 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.823 0.957 1.285 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.806 -0.328 1.526 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.381 -1.293 0.523 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.584 -2.656 1.176 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.879 -3.732 0.134 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.133 -5.080 0.812 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.267 -6.200 -0.215 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.471 7.671 2.411 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.435 8.131 3.051 1.00 0.00 O HETATM 0 H203 ACD A 201 3.348 -6.272 -0.797 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.102 -5.984 -0.882 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.447 -7.145 0.298 1.00 0.00 H new HETATM 0 H192 ACD A 201 5.042 -5.023 1.411 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.314 -5.306 1.495 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.040 -3.818 -0.556 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.749 -3.446 -0.457 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.407 -2.601 1.888 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.692 -2.928 1.740 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.711 -1.385 -0.332 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.331 -0.916 0.145 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.529 2.032 -0.544 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.581 0.638 -0.693 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.246 3.473 0.638 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.727 4.672 -0.546 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.861 5.590 2.008 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.796 6.701 2.517 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.764 5.027 0.139 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.096 6.330 0.934 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.321 3.938 2.769 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.028 3.553 2.385 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.907 4.192 0.148 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.409 5.007 -0.259 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.203 6.671 0.086 1.00 0.00 H new HETATM 0 H31 ACD A 201 -1.968 6.860 1.315 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.393 5.432 2.873 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.653 5.442 1.654 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.375 -0.702 2.455 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.480 1.658 2.046 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.504 1.904 0.236 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.240 4.271 0.460 1.00 0.00 H new