USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 760 hydrogens (30 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 MET CE :methyl 170:sc= -0.0545 (180deg=-0.283) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 59 TYR OH : rot -5:sc= 1.97 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -106:sc= 0.993 (180deg=-0.00242) USER MOD Set 3.1: A 53 MET CE :methyl -169:sc= -0.0666 (180deg=-0.285) USER MOD Set 3.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.94) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0569 K(o=-0.057,f=-0.83) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 173:sc= 0 (180deg=-0.0563) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00181 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00413 X(o=-0.0041,f=-0.27) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.488 K(o=0.49,f=-0.67) USER MOD Single : A 61 MET CE :methyl 172:sc= 0 (180deg=-0.0049) USER MOD Single : A 64 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.363! X(o=-0.36!,f=-0.062) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 71 GLN : amide:sc= 0.442 K(o=0.44,f=-3.9!) USER MOD Single : A 72 HIS : no HD1:sc= -0.036 K(o=-0.036,f=-2.2!) USER MOD Single : A 76 CYS SG : rot 3:sc= -0.365 USER MOD Single : A 88 GLN : amide:sc= 0.817 K(o=0.82,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.422 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.34) USER MOD Single : A 108 THR OG1 : rot 170:sc= 0.104 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 15.067 5.118 11.825 1.00 0.00 N ATOM 2 CA GLN A 23 15.154 4.849 10.386 1.00 0.00 C ATOM 3 C GLN A 23 13.832 4.324 9.786 1.00 0.00 C ATOM 4 O GLN A 23 12.982 3.783 10.501 1.00 0.00 O ATOM 5 CB GLN A 23 16.340 3.905 10.100 1.00 0.00 C ATOM 6 CG GLN A 23 16.190 2.497 10.706 1.00 0.00 C ATOM 7 CD GLN A 23 17.412 1.626 10.421 1.00 0.00 C ATOM 8 OE1 GLN A 23 17.439 0.822 9.496 1.00 0.00 O ATOM 9 NE2 GLN A 23 18.477 1.750 11.189 1.00 0.00 N ATOM 0 HA GLN A 23 15.335 5.799 9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.463 3.812 9.021 1.00 0.00 H new ATOM 0 HB3 GLN A 23 17.252 4.359 10.487 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.044 2.578 11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.299 2.019 10.299 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.473 2.414 11.963 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.305 1.182 11.009 1.00 0.00 H new ATOM 18 N ILE A 24 13.669 4.473 8.466 1.00 0.00 N ATOM 19 CA ILE A 24 12.489 4.063 7.690 1.00 0.00 C ATOM 20 C ILE A 24 12.858 3.326 6.395 1.00 0.00 C ATOM 21 O ILE A 24 13.985 3.408 5.905 1.00 0.00 O ATOM 22 CB ILE A 24 11.577 5.272 7.387 1.00 0.00 C ATOM 23 CG1 ILE A 24 12.327 6.524 6.858 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.693 5.595 8.599 1.00 0.00 C ATOM 25 CD1 ILE A 24 11.420 7.709 6.479 1.00 0.00 C ATOM 0 H ILE A 24 14.387 4.902 7.882 1.00 0.00 H new ATOM 0 HA ILE A 24 11.940 3.357 8.312 1.00 0.00 H new ATOM 0 HB ILE A 24 10.937 4.971 6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 24 13.034 6.855 7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.911 6.238 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.057 6.449 8.368 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.070 4.732 8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.323 5.833 9.456 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.033 8.536 6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.730 7.402 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.855 8.029 7.354 1.00 0.00 H new ATOM 37 N ASN A 25 11.879 2.624 5.814 1.00 0.00 N ATOM 38 CA ASN A 25 12.056 1.677 4.704 1.00 0.00 C ATOM 39 C ASN A 25 11.980 2.309 3.296 1.00 0.00 C ATOM 40 O ASN A 25 11.493 1.711 2.338 1.00 0.00 O ATOM 41 CB ASN A 25 11.079 0.506 4.908 1.00 0.00 C ATOM 42 CG ASN A 25 11.109 -0.072 6.317 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.149 0.019 7.069 1.00 0.00 O ATOM 44 ND2 ASN A 25 12.214 -0.641 6.745 1.00 0.00 N ATOM 0 H ASN A 25 10.907 2.701 6.113 1.00 0.00 H new ATOM 0 HA ASN A 25 13.080 1.305 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.067 0.844 4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.316 -0.283 4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.266 -1.002 7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.020 -0.721 6.125 1.00 0.00 H new ATOM 51 N GLN A 26 12.422 3.560 3.203 1.00 0.00 N ATOM 52 CA GLN A 26 12.279 4.503 2.085 1.00 0.00 C ATOM 53 C GLN A 26 13.649 5.080 1.656 1.00 0.00 C ATOM 54 O GLN A 26 14.697 4.693 2.180 1.00 0.00 O ATOM 55 CB GLN A 26 11.233 5.597 2.416 1.00 0.00 C ATOM 56 CG GLN A 26 10.400 5.501 3.713 1.00 0.00 C ATOM 57 CD GLN A 26 9.457 4.304 3.912 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.016 4.028 5.018 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.122 3.520 2.910 1.00 0.00 N ATOM 0 H GLN A 26 12.937 3.983 3.975 1.00 0.00 H new ATOM 0 HA GLN A 26 11.897 3.960 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.758 6.552 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.532 5.638 1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.096 5.513 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.799 6.408 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.469 3.716 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.515 2.716 3.072 1.00 0.00 H new ATOM 68 N VAL A 27 13.646 5.973 0.662 1.00 0.00 N ATOM 69 CA VAL A 27 14.846 6.501 -0.023 1.00 0.00 C ATOM 70 C VAL A 27 15.387 7.733 0.731 1.00 0.00 C ATOM 71 O VAL A 27 14.828 8.113 1.755 1.00 0.00 O ATOM 72 CB VAL A 27 14.536 6.830 -1.512 1.00 0.00 C ATOM 73 CG1 VAL A 27 15.800 6.835 -2.386 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.549 5.837 -2.153 1.00 0.00 C ATOM 0 H VAL A 27 12.780 6.367 0.293 1.00 0.00 H new ATOM 0 HA VAL A 27 15.621 5.734 -0.017 1.00 0.00 H new ATOM 0 HB VAL A 27 14.092 7.825 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.530 7.070 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.497 7.586 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.271 5.853 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.372 6.119 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.969 4.832 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.606 5.857 -1.606 1.00 0.00 H new ATOM 84 N ARG A 28 16.561 8.243 0.327 1.00 0.00 N ATOM 85 CA ARG A 28 17.224 9.518 0.686 1.00 0.00 C ATOM 86 C ARG A 28 18.314 9.819 -0.381 1.00 0.00 C ATOM 87 O ARG A 28 18.933 8.862 -0.851 1.00 0.00 O ATOM 88 CB ARG A 28 17.850 9.436 2.100 1.00 0.00 C ATOM 89 CG ARG A 28 18.591 10.734 2.488 1.00 0.00 C ATOM 90 CD ARG A 28 19.073 10.772 3.939 1.00 0.00 C ATOM 91 NE ARG A 28 20.135 9.779 4.205 1.00 0.00 N ATOM 92 CZ ARG A 28 20.648 9.470 5.385 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.252 10.045 6.486 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.581 8.566 5.482 1.00 0.00 N ATOM 0 H ARG A 28 17.136 7.718 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 28 16.489 10.323 0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.067 9.235 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.545 8.598 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 28 19.450 10.860 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.929 11.582 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.446 11.770 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.230 10.586 4.604 1.00 0.00 H new ATOM 0 HE ARG A 28 20.510 9.282 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.524 10.759 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.670 9.781 7.378 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.920 8.092 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.972 8.333 6.395 1.00 0.00 H new ATOM 108 N PRO A 29 18.580 11.087 -0.771 1.00 0.00 N ATOM 109 CA PRO A 29 19.516 11.427 -1.852 1.00 0.00 C ATOM 110 C PRO A 29 20.868 11.981 -1.366 1.00 0.00 C ATOM 111 O PRO A 29 21.044 12.339 -0.199 1.00 0.00 O ATOM 112 CB PRO A 29 18.792 12.506 -2.678 1.00 0.00 C ATOM 113 CG PRO A 29 17.611 12.955 -1.817 1.00 0.00 C ATOM 114 CD PRO A 29 17.841 12.300 -0.459 1.00 0.00 C ATOM 0 HA PRO A 29 19.765 10.525 -2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.456 13.341 -2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 29 18.452 12.106 -3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.576 14.041 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.663 12.639 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 29 18.407 12.951 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.898 12.075 0.040 1.00 0.00 H new ATOM 122 N LYS A 30 21.808 12.111 -2.311 1.00 0.00 N ATOM 123 CA LYS A 30 23.071 12.856 -2.147 1.00 0.00 C ATOM 124 C LYS A 30 22.781 14.342 -2.414 1.00 0.00 C ATOM 125 O LYS A 30 21.825 14.647 -3.127 1.00 0.00 O ATOM 126 CB LYS A 30 24.124 12.253 -3.100 1.00 0.00 C ATOM 127 CG LYS A 30 25.564 12.678 -2.770 1.00 0.00 C ATOM 128 CD LYS A 30 26.552 12.091 -3.787 1.00 0.00 C ATOM 129 CE LYS A 30 27.989 12.495 -3.427 1.00 0.00 C ATOM 130 NZ LYS A 30 28.978 11.921 -4.380 1.00 0.00 N ATOM 0 H LYS A 30 21.712 11.692 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 30 23.476 12.777 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.057 11.166 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.891 12.551 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 30 25.636 13.766 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.826 12.343 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.466 11.005 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 30 26.307 12.445 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 30 28.072 13.582 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 30 28.219 12.158 -2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 29.937 12.215 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.916 10.883 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 28.773 12.263 -5.341 1.00 0.00 H new ATOM 144 N LEU A 31 23.588 15.276 -1.905 1.00 0.00 N ATOM 145 CA LEU A 31 23.317 16.727 -2.009 1.00 0.00 C ATOM 146 C LEU A 31 23.001 17.231 -3.442 1.00 0.00 C ATOM 147 O LEU A 31 22.033 17.980 -3.586 1.00 0.00 O ATOM 148 CB LEU A 31 24.448 17.541 -1.340 1.00 0.00 C ATOM 149 CG LEU A 31 24.634 17.305 0.174 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.795 18.159 0.686 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.388 17.660 0.989 1.00 0.00 C ATOM 0 H LEU A 31 24.451 15.056 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 31 22.390 16.895 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.386 17.308 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.254 18.601 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 31 24.832 16.241 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.926 17.992 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.709 17.882 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.578 19.212 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.579 17.473 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.146 18.713 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.550 17.047 0.658 1.00 0.00 H new ATOM 163 N PRO A 32 23.684 16.778 -4.520 1.00 0.00 N ATOM 164 CA PRO A 32 23.355 17.185 -5.894 1.00 0.00 C ATOM 165 C PRO A 32 21.996 16.694 -6.410 1.00 0.00 C ATOM 166 O PRO A 32 21.434 17.315 -7.308 1.00 0.00 O ATOM 167 CB PRO A 32 24.490 16.648 -6.772 1.00 0.00 C ATOM 168 CG PRO A 32 25.656 16.492 -5.800 1.00 0.00 C ATOM 169 CD PRO A 32 24.939 16.036 -4.535 1.00 0.00 C ATOM 0 HA PRO A 32 23.265 18.271 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 32 24.224 15.697 -7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.732 17.338 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 32 26.383 15.758 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 32 26.194 17.428 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.761 14.961 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.533 16.249 -3.647 1.00 0.00 H new ATOM 177 N LEU A 33 21.455 15.608 -5.845 1.00 0.00 N ATOM 178 CA LEU A 33 20.134 15.064 -6.193 1.00 0.00 C ATOM 179 C LEU A 33 19.021 15.626 -5.288 1.00 0.00 C ATOM 180 O LEU A 33 17.919 15.916 -5.748 1.00 0.00 O ATOM 181 CB LEU A 33 20.206 13.525 -6.160 1.00 0.00 C ATOM 182 CG LEU A 33 21.287 12.891 -7.063 1.00 0.00 C ATOM 183 CD1 LEU A 33 21.163 11.369 -7.012 1.00 0.00 C ATOM 184 CD2 LEU A 33 21.206 13.333 -8.526 1.00 0.00 C ATOM 0 H LEU A 33 21.931 15.072 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 33 19.868 15.379 -7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.385 13.209 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.234 13.127 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 33 22.246 13.233 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.925 10.920 -7.649 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.300 11.027 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.175 11.072 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.997 12.846 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.236 13.053 -8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.328 14.415 -8.587 1.00 0.00 H new ATOM 196 N LEU A 34 19.336 15.872 -4.013 1.00 0.00 N ATOM 197 CA LEU A 34 18.474 16.542 -3.027 1.00 0.00 C ATOM 198 C LEU A 34 18.154 17.981 -3.428 1.00 0.00 C ATOM 199 O LEU A 34 17.013 18.410 -3.261 1.00 0.00 O ATOM 200 CB LEU A 34 19.228 16.447 -1.678 1.00 0.00 C ATOM 201 CG LEU A 34 18.673 17.216 -0.458 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.041 16.476 0.829 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.282 18.619 -0.358 1.00 0.00 C ATOM 0 H LEU A 34 20.237 15.599 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 34 17.498 16.062 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.285 15.393 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.249 16.788 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 34 17.593 17.288 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.648 17.021 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.612 15.474 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.126 16.405 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.871 19.133 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.364 18.539 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.045 19.184 -1.260 1.00 0.00 H new ATOM 215 N LYS A 35 19.112 18.719 -4.004 1.00 0.00 N ATOM 216 CA LYS A 35 18.884 20.138 -4.342 1.00 0.00 C ATOM 217 C LYS A 35 17.902 20.358 -5.501 1.00 0.00 C ATOM 218 O LYS A 35 17.192 21.362 -5.530 1.00 0.00 O ATOM 219 CB LYS A 35 20.182 20.912 -4.420 1.00 0.00 C ATOM 220 CG LYS A 35 21.101 20.587 -5.593 1.00 0.00 C ATOM 221 CD LYS A 35 22.440 21.176 -5.162 1.00 0.00 C ATOM 222 CE LYS A 35 23.462 21.217 -6.307 1.00 0.00 C ATOM 223 NZ LYS A 35 24.747 21.836 -5.875 1.00 0.00 N ATOM 0 H LYS A 35 20.039 18.368 -4.244 1.00 0.00 H new ATOM 0 HA LYS A 35 18.345 20.582 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.943 21.975 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.736 20.743 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.170 19.513 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.744 21.035 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.284 22.186 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.845 20.586 -4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.648 20.205 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.049 21.781 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.413 21.847 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.573 22.810 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.153 21.283 -5.093 1.00 0.00 H new ATOM 237 N ILE A 36 17.766 19.352 -6.371 1.00 0.00 N ATOM 238 CA ILE A 36 16.734 19.263 -7.421 1.00 0.00 C ATOM 239 C ILE A 36 15.347 19.314 -6.771 1.00 0.00 C ATOM 240 O ILE A 36 14.517 20.152 -7.109 1.00 0.00 O ATOM 241 CB ILE A 36 16.879 17.953 -8.244 1.00 0.00 C ATOM 242 CG1 ILE A 36 18.327 17.737 -8.725 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.912 17.949 -9.440 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.567 16.369 -9.371 1.00 0.00 C ATOM 0 H ILE A 36 18.391 18.546 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 36 16.860 20.105 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 36 16.622 17.126 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 36 18.582 18.517 -9.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.002 17.851 -7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 36 16.031 17.022 -10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.886 18.025 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE A 36 16.132 18.797 -10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.608 16.292 -9.684 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.345 15.582 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.918 16.258 -10.240 1.00 0.00 H new ATOM 256 N LEU A 37 15.107 18.431 -5.798 1.00 0.00 N ATOM 257 CA LEU A 37 13.839 18.363 -5.073 1.00 0.00 C ATOM 258 C LEU A 37 13.630 19.563 -4.123 1.00 0.00 C ATOM 259 O LEU A 37 12.507 20.048 -4.002 1.00 0.00 O ATOM 260 CB LEU A 37 13.674 16.917 -4.532 1.00 0.00 C ATOM 261 CG LEU A 37 13.252 15.991 -5.703 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.677 14.543 -5.508 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.735 16.005 -5.897 1.00 0.00 C ATOM 0 H LEU A 37 15.792 17.740 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 37 12.974 18.512 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.609 16.569 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.923 16.893 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 37 13.762 16.391 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.351 13.950 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.762 14.491 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.223 14.150 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.468 15.347 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.248 15.658 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.406 17.020 -6.120 1.00 0.00 H new ATOM 275 N HIS A 38 14.689 20.154 -3.551 1.00 0.00 N ATOM 276 CA HIS A 38 14.593 21.434 -2.813 1.00 0.00 C ATOM 277 C HIS A 38 14.180 22.611 -3.711 1.00 0.00 C ATOM 278 O HIS A 38 13.444 23.483 -3.247 1.00 0.00 O ATOM 279 CB HIS A 38 15.913 21.782 -2.109 1.00 0.00 C ATOM 280 CG HIS A 38 16.124 21.126 -0.765 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.548 21.797 0.386 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.961 19.803 -0.472 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.633 20.863 1.348 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.292 19.657 0.861 1.00 0.00 N ATOM 0 H HIS A 38 15.632 19.766 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 38 13.811 21.282 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.739 21.503 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.961 22.863 -1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.638 19.025 -1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.933 21.054 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.280 18.783 1.387 1.00 0.00 H new ATOM 292 N ALA A 39 14.562 22.625 -4.998 1.00 0.00 N ATOM 293 CA ALA A 39 14.065 23.626 -5.956 1.00 0.00 C ATOM 294 C ALA A 39 12.529 23.588 -6.128 1.00 0.00 C ATOM 295 O ALA A 39 11.922 24.593 -6.505 1.00 0.00 O ATOM 296 CB ALA A 39 14.759 23.441 -7.313 1.00 0.00 C ATOM 0 H ALA A 39 15.215 21.953 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 39 14.307 24.607 -5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.386 24.185 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.835 23.564 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.549 22.442 -7.696 1.00 0.00 H new ATOM 302 N ALA A 40 11.901 22.448 -5.808 1.00 0.00 N ATOM 303 CA ALA A 40 10.453 22.252 -5.745 1.00 0.00 C ATOM 304 C ALA A 40 9.908 22.160 -4.299 1.00 0.00 C ATOM 305 O ALA A 40 8.870 21.539 -4.060 1.00 0.00 O ATOM 306 CB ALA A 40 10.098 21.043 -6.613 1.00 0.00 C ATOM 0 H ALA A 40 12.417 21.599 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 40 9.952 23.134 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.021 20.876 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.407 21.230 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.613 20.160 -6.235 1.00 0.00 H new ATOM 312 N GLY A 41 10.607 22.757 -3.325 1.00 0.00 N ATOM 313 CA GLY A 41 10.153 22.899 -1.934 1.00 0.00 C ATOM 314 C GLY A 41 10.194 21.621 -1.081 1.00 0.00 C ATOM 315 O GLY A 41 9.605 21.600 0.003 1.00 0.00 O ATOM 0 H GLY A 41 11.528 23.165 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.767 23.657 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.130 23.274 -1.943 1.00 0.00 H new ATOM 319 N ALA A 42 10.851 20.556 -1.551 1.00 0.00 N ATOM 320 CA ALA A 42 10.913 19.264 -0.879 1.00 0.00 C ATOM 321 C ALA A 42 12.004 19.196 0.215 1.00 0.00 C ATOM 322 O ALA A 42 12.666 20.181 0.549 1.00 0.00 O ATOM 323 CB ALA A 42 11.183 18.203 -1.953 1.00 0.00 C ATOM 0 H ALA A 42 11.366 20.574 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 42 9.966 19.094 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.236 17.219 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.377 18.214 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.128 18.421 -2.450 1.00 0.00 H new ATOM 329 N GLN A 43 12.236 17.972 0.701 1.00 0.00 N ATOM 330 CA GLN A 43 13.349 17.567 1.580 1.00 0.00 C ATOM 331 C GLN A 43 14.122 16.372 0.979 1.00 0.00 C ATOM 332 O GLN A 43 14.378 15.359 1.630 1.00 0.00 O ATOM 333 CB GLN A 43 12.846 17.327 3.016 1.00 0.00 C ATOM 334 CG GLN A 43 12.257 18.590 3.665 1.00 0.00 C ATOM 335 CD GLN A 43 11.868 18.348 5.123 1.00 0.00 C ATOM 336 OE1 GLN A 43 12.602 18.658 6.054 1.00 0.00 O ATOM 337 NE2 GLN A 43 10.710 17.776 5.387 1.00 0.00 N ATOM 0 H GLN A 43 11.620 17.190 0.482 1.00 0.00 H new ATOM 0 HA GLN A 43 14.071 18.381 1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.088 16.544 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.671 16.962 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.985 19.399 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.380 18.913 3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.086 17.511 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.438 17.598 6.354 1.00 0.00 H new ATOM 346 N GLY A 44 14.463 16.480 -0.310 1.00 0.00 N ATOM 347 CA GLY A 44 15.167 15.456 -1.079 1.00 0.00 C ATOM 348 C GLY A 44 14.246 14.323 -1.527 1.00 0.00 C ATOM 349 O GLY A 44 13.291 14.550 -2.254 1.00 0.00 O ATOM 0 H GLY A 44 14.248 17.311 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.625 15.915 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.976 15.045 -0.475 1.00 0.00 H new ATOM 353 N GLU A 45 14.553 13.102 -1.092 1.00 0.00 N ATOM 354 CA GLU A 45 13.789 11.863 -1.340 1.00 0.00 C ATOM 355 C GLU A 45 13.646 11.042 -0.051 1.00 0.00 C ATOM 356 O GLU A 45 13.430 9.839 -0.107 1.00 0.00 O ATOM 357 CB GLU A 45 14.422 11.001 -2.454 1.00 0.00 C ATOM 358 CG GLU A 45 14.441 11.653 -3.835 1.00 0.00 C ATOM 359 CD GLU A 45 15.064 10.685 -4.858 1.00 0.00 C ATOM 360 OE1 GLU A 45 14.318 9.871 -5.453 1.00 0.00 O ATOM 361 OE2 GLU A 45 16.303 10.723 -5.055 1.00 0.00 O ATOM 0 H GLU A 45 15.384 12.933 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 45 12.798 12.165 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.445 10.758 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.877 10.059 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.427 11.915 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.013 12.580 -3.802 1.00 0.00 H new ATOM 368 N MET A 46 13.843 11.680 1.109 1.00 0.00 N ATOM 369 CA MET A 46 13.961 11.069 2.448 1.00 0.00 C ATOM 370 C MET A 46 12.605 10.600 3.021 1.00 0.00 C ATOM 371 O MET A 46 12.221 10.911 4.150 1.00 0.00 O ATOM 372 CB MET A 46 14.794 12.014 3.309 1.00 0.00 C ATOM 373 CG MET A 46 15.216 11.463 4.679 1.00 0.00 C ATOM 374 SD MET A 46 16.368 12.529 5.595 1.00 0.00 S ATOM 375 CE MET A 46 15.297 13.948 5.965 1.00 0.00 C ATOM 0 H MET A 46 13.930 12.696 1.146 1.00 0.00 H new ATOM 0 HA MET A 46 14.496 10.120 2.411 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.692 12.286 2.754 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.226 12.931 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.323 11.308 5.285 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.679 10.486 4.537 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.820 14.635 6.630 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.042 14.463 5.039 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.385 13.599 6.449 1.00 0.00 H new ATOM 385 N PHE A 47 11.850 9.898 2.174 1.00 0.00 N ATOM 386 CA PHE A 47 10.439 9.524 2.339 1.00 0.00 C ATOM 387 C PHE A 47 9.948 8.538 1.249 1.00 0.00 C ATOM 388 O PHE A 47 10.689 8.154 0.343 1.00 0.00 O ATOM 389 CB PHE A 47 9.602 10.819 2.370 1.00 0.00 C ATOM 390 CG PHE A 47 10.062 11.918 1.422 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.940 11.756 0.030 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.673 13.079 1.935 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.370 12.775 -0.837 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.130 14.082 1.062 1.00 0.00 C ATOM 395 CZ PHE A 47 10.955 13.938 -0.319 1.00 0.00 C ATOM 0 H PHE A 47 12.232 9.551 1.294 1.00 0.00 H new ATOM 0 HA PHE A 47 10.320 8.983 3.278 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.568 10.569 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.611 11.213 3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.516 10.848 -0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.791 13.199 3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.249 12.661 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.615 14.962 1.457 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.272 14.725 -0.987 1.00 0.00 H new ATOM 405 N THR A 48 8.698 8.080 1.373 1.00 0.00 N ATOM 406 CA THR A 48 8.056 7.012 0.568 1.00 0.00 C ATOM 407 C THR A 48 7.681 7.457 -0.858 1.00 0.00 C ATOM 408 O THR A 48 7.691 8.643 -1.191 1.00 0.00 O ATOM 409 CB THR A 48 6.818 6.469 1.334 1.00 0.00 C ATOM 410 OG1 THR A 48 7.070 6.491 2.726 1.00 0.00 O ATOM 411 CG2 THR A 48 6.438 5.022 1.001 1.00 0.00 C ATOM 0 H THR A 48 8.063 8.460 2.075 1.00 0.00 H new ATOM 0 HA THR A 48 8.789 6.216 0.436 1.00 0.00 H new ATOM 0 HB THR A 48 6.000 7.120 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.287 6.150 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.564 4.732 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.209 4.941 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.271 4.362 1.244 1.00 0.00 H new ATOM 419 N VAL A 49 7.284 6.488 -1.698 1.00 0.00 N ATOM 420 CA VAL A 49 6.907 6.642 -3.126 1.00 0.00 C ATOM 421 C VAL A 49 5.931 7.801 -3.345 1.00 0.00 C ATOM 422 O VAL A 49 6.127 8.653 -4.213 1.00 0.00 O ATOM 423 CB VAL A 49 6.252 5.339 -3.649 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.806 5.433 -5.113 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.199 4.143 -3.529 1.00 0.00 C ATOM 0 H VAL A 49 7.211 5.519 -1.389 1.00 0.00 H new ATOM 0 HA VAL A 49 7.825 6.856 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 49 5.374 5.198 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.356 4.488 -5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.075 6.235 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.670 5.643 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.704 3.248 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.100 4.332 -4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.468 3.996 -2.483 1.00 0.00 H new ATOM 435 N LYS A 50 4.901 7.857 -2.497 1.00 0.00 N ATOM 436 CA LYS A 50 3.822 8.849 -2.599 1.00 0.00 C ATOM 437 C LYS A 50 4.283 10.279 -2.327 1.00 0.00 C ATOM 438 O LYS A 50 3.755 11.215 -2.920 1.00 0.00 O ATOM 439 CB LYS A 50 2.625 8.431 -1.722 1.00 0.00 C ATOM 440 CG LYS A 50 2.978 8.292 -0.229 1.00 0.00 C ATOM 441 CD LYS A 50 1.766 7.880 0.615 1.00 0.00 C ATOM 442 CE LYS A 50 2.215 7.626 2.062 1.00 0.00 C ATOM 443 NZ LYS A 50 1.058 7.336 2.954 1.00 0.00 N ATOM 0 H LYS A 50 4.789 7.212 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 50 3.491 8.861 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.829 9.167 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.233 7.481 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.769 7.552 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.371 9.240 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.008 8.663 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.309 6.981 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.912 6.788 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.753 8.498 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.399 7.170 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.406 8.146 2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.560 6.489 2.612 1.00 0.00 H new ATOM 457 N GLU A 51 5.302 10.439 -1.483 1.00 0.00 N ATOM 458 CA GLU A 51 5.922 11.734 -1.216 1.00 0.00 C ATOM 459 C GLU A 51 6.912 12.106 -2.329 1.00 0.00 C ATOM 460 O GLU A 51 6.818 13.217 -2.846 1.00 0.00 O ATOM 461 CB GLU A 51 6.580 11.724 0.173 1.00 0.00 C ATOM 462 CG GLU A 51 5.602 11.510 1.338 1.00 0.00 C ATOM 463 CD GLU A 51 4.543 12.627 1.433 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.834 13.695 2.025 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.405 12.437 0.939 1.00 0.00 O ATOM 0 H GLU A 51 5.722 9.669 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 51 5.153 12.506 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.334 10.937 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.101 12.670 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.102 10.549 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.160 11.463 2.273 1.00 0.00 H new ATOM 472 N VAL A 52 7.788 11.195 -2.796 1.00 0.00 N ATOM 473 CA VAL A 52 8.715 11.531 -3.907 1.00 0.00 C ATOM 474 C VAL A 52 7.988 11.973 -5.166 1.00 0.00 C ATOM 475 O VAL A 52 8.326 12.994 -5.758 1.00 0.00 O ATOM 476 CB VAL A 52 9.712 10.421 -4.270 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.745 10.161 -3.172 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.138 9.055 -4.615 1.00 0.00 C ATOM 0 H VAL A 52 7.877 10.245 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 52 9.290 12.365 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 52 10.148 10.849 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.420 9.366 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.316 11.071 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.235 9.861 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.951 8.368 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.574 8.672 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.477 9.145 -5.477 1.00 0.00 H new ATOM 488 N MET A 53 6.954 11.231 -5.543 1.00 0.00 N ATOM 489 CA MET A 53 6.179 11.520 -6.758 1.00 0.00 C ATOM 490 C MET A 53 5.329 12.800 -6.639 1.00 0.00 C ATOM 491 O MET A 53 5.095 13.471 -7.642 1.00 0.00 O ATOM 492 CB MET A 53 5.361 10.292 -7.186 1.00 0.00 C ATOM 493 CG MET A 53 4.075 10.085 -6.377 1.00 0.00 C ATOM 494 SD MET A 53 3.177 8.558 -6.766 1.00 0.00 S ATOM 495 CE MET A 53 2.768 8.862 -8.509 1.00 0.00 C ATOM 0 H MET A 53 6.625 10.417 -5.024 1.00 0.00 H new ATOM 0 HA MET A 53 6.890 11.731 -7.557 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.103 10.390 -8.240 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.984 9.403 -7.092 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.325 10.084 -5.316 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.413 10.934 -6.548 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.051 8.115 -8.850 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.333 9.856 -8.613 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.674 8.798 -9.112 1.00 0.00 H new ATOM 505 N HIS A 54 4.930 13.180 -5.419 1.00 0.00 N ATOM 506 CA HIS A 54 4.276 14.459 -5.104 1.00 0.00 C ATOM 507 C HIS A 54 5.214 15.642 -5.410 1.00 0.00 C ATOM 508 O HIS A 54 4.913 16.468 -6.278 1.00 0.00 O ATOM 509 CB HIS A 54 3.804 14.417 -3.635 1.00 0.00 C ATOM 510 CG HIS A 54 3.820 15.745 -2.927 1.00 0.00 C ATOM 511 ND1 HIS A 54 3.090 16.876 -3.296 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.666 16.068 -1.907 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.523 17.858 -2.487 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.457 17.400 -1.637 1.00 0.00 N ATOM 0 H HIS A 54 5.057 12.589 -4.598 1.00 0.00 H new ATOM 0 HA HIS A 54 3.400 14.610 -5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.790 14.018 -3.605 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.437 13.721 -3.085 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.362 15.408 -1.410 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.168 18.878 -2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.929 17.946 -0.916 1.00 0.00 H new ATOM 522 N TYR A 55 6.393 15.676 -4.778 1.00 0.00 N ATOM 523 CA TYR A 55 7.445 16.654 -5.062 1.00 0.00 C ATOM 524 C TYR A 55 7.892 16.660 -6.536 1.00 0.00 C ATOM 525 O TYR A 55 8.128 17.734 -7.091 1.00 0.00 O ATOM 526 CB TYR A 55 8.639 16.399 -4.138 1.00 0.00 C ATOM 527 CG TYR A 55 8.331 16.530 -2.658 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.928 17.767 -2.122 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.476 15.421 -1.810 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.641 17.891 -0.749 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.187 15.535 -0.435 1.00 0.00 C ATOM 532 CZ TYR A 55 7.769 16.772 0.101 1.00 0.00 C ATOM 533 OH TYR A 55 7.506 16.903 1.431 1.00 0.00 O ATOM 0 H TYR A 55 6.645 15.014 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 55 7.027 17.642 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.022 15.396 -4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.435 17.098 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.838 18.628 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.810 14.476 -2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.323 18.842 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.286 14.674 0.210 1.00 0.00 H new ATOM 0 HH TYR A 55 7.640 16.041 1.877 1.00 0.00 H new ATOM 543 N LEU A 56 7.955 15.500 -7.204 1.00 0.00 N ATOM 544 CA LEU A 56 8.301 15.420 -8.630 1.00 0.00 C ATOM 545 C LEU A 56 7.212 16.038 -9.528 1.00 0.00 C ATOM 546 O LEU A 56 7.535 16.807 -10.431 1.00 0.00 O ATOM 547 CB LEU A 56 8.597 13.958 -9.027 1.00 0.00 C ATOM 548 CG LEU A 56 9.724 13.834 -10.069 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.092 14.070 -9.420 1.00 0.00 C ATOM 550 CD2 LEU A 56 9.730 12.430 -10.669 1.00 0.00 C ATOM 0 H LEU A 56 7.768 14.594 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 56 9.203 16.011 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.870 13.393 -8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.689 13.505 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 56 9.544 14.582 -10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.873 13.978 -10.174 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.122 15.070 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.255 13.330 -8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.530 12.352 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.891 11.697 -9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.773 12.237 -11.153 1.00 0.00 H new ATOM 562 N GLY A 57 5.931 15.774 -9.249 1.00 0.00 N ATOM 563 CA GLY A 57 4.798 16.381 -9.958 1.00 0.00 C ATOM 564 C GLY A 57 4.814 17.912 -9.883 1.00 0.00 C ATOM 565 O GLY A 57 4.740 18.590 -10.913 1.00 0.00 O ATOM 0 H GLY A 57 5.648 15.125 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.818 16.071 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.866 16.009 -9.533 1.00 0.00 H new ATOM 569 N GLN A 58 5.022 18.474 -8.685 1.00 0.00 N ATOM 570 CA GLN A 58 5.138 19.929 -8.527 1.00 0.00 C ATOM 571 C GLN A 58 6.445 20.496 -9.114 1.00 0.00 C ATOM 572 O GLN A 58 6.408 21.593 -9.662 1.00 0.00 O ATOM 573 CB GLN A 58 4.799 20.388 -7.097 1.00 0.00 C ATOM 574 CG GLN A 58 5.867 20.099 -6.034 1.00 0.00 C ATOM 575 CD GLN A 58 5.394 20.364 -4.599 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.215 20.505 -4.299 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.295 20.431 -3.640 1.00 0.00 N ATOM 0 H GLN A 58 5.113 17.947 -7.816 1.00 0.00 H new ATOM 0 HA GLN A 58 4.366 20.386 -9.146 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.612 21.462 -7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.870 19.907 -6.792 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.179 19.058 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.745 20.712 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.284 20.317 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.003 20.597 -2.677 1.00 0.00 H new ATOM 586 N TYR A 59 7.569 19.760 -9.113 1.00 0.00 N ATOM 587 CA TYR A 59 8.778 20.162 -9.858 1.00 0.00 C ATOM 588 C TYR A 59 8.470 20.323 -11.351 1.00 0.00 C ATOM 589 O TYR A 59 8.727 21.385 -11.909 1.00 0.00 O ATOM 590 CB TYR A 59 9.928 19.158 -9.647 1.00 0.00 C ATOM 591 CG TYR A 59 11.240 19.502 -10.347 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.416 19.203 -11.714 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.311 20.071 -9.630 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.664 19.402 -12.339 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.555 20.279 -10.254 1.00 0.00 C ATOM 596 CZ TYR A 59 13.749 19.910 -11.598 1.00 0.00 C ATOM 597 OH TYR A 59 14.969 20.088 -12.169 1.00 0.00 O ATOM 0 H TYR A 59 7.667 18.882 -8.604 1.00 0.00 H new ATOM 0 HA TYR A 59 9.101 21.127 -9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.119 19.072 -8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.599 18.178 -9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.586 18.818 -12.288 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.176 20.349 -8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.788 19.165 -13.385 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.366 20.725 -9.698 1.00 0.00 H new ATOM 0 HH TYR A 59 14.955 19.742 -13.086 1.00 0.00 H new ATOM 607 N ILE A 60 7.853 19.321 -11.989 1.00 0.00 N ATOM 608 CA ILE A 60 7.460 19.375 -13.411 1.00 0.00 C ATOM 609 C ILE A 60 6.524 20.567 -13.661 1.00 0.00 C ATOM 610 O ILE A 60 6.708 21.302 -14.630 1.00 0.00 O ATOM 611 CB ILE A 60 6.782 18.048 -13.827 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.730 16.835 -13.690 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.260 18.119 -15.275 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.947 15.528 -13.504 1.00 0.00 C ATOM 0 H ILE A 60 7.609 18.442 -11.534 1.00 0.00 H new ATOM 0 HA ILE A 60 8.354 19.510 -14.019 1.00 0.00 H new ATOM 0 HB ILE A 60 5.945 17.908 -13.143 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.358 16.761 -14.578 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.395 16.986 -12.840 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.789 17.172 -15.539 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.530 18.924 -15.359 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.092 18.311 -15.953 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.645 14.696 -13.411 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.338 15.594 -12.602 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.301 15.365 -14.367 1.00 0.00 H new ATOM 626 N MET A 61 5.556 20.802 -12.771 1.00 0.00 N ATOM 627 CA MET A 61 4.603 21.911 -12.899 1.00 0.00 C ATOM 628 C MET A 61 5.248 23.302 -12.705 1.00 0.00 C ATOM 629 O MET A 61 4.853 24.256 -13.376 1.00 0.00 O ATOM 630 CB MET A 61 3.431 21.649 -11.940 1.00 0.00 C ATOM 631 CG MET A 61 2.236 22.591 -12.143 1.00 0.00 C ATOM 632 SD MET A 61 1.579 22.754 -13.834 1.00 0.00 S ATOM 633 CE MET A 61 1.205 21.030 -14.262 1.00 0.00 C ATOM 0 H MET A 61 5.410 20.229 -11.940 1.00 0.00 H new ATOM 0 HA MET A 61 4.231 21.943 -13.923 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.095 20.620 -12.066 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.786 21.745 -10.914 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.426 22.252 -11.498 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.526 23.583 -11.797 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.667 20.999 -15.210 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.134 20.468 -14.353 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.588 20.587 -13.480 1.00 0.00 H new ATOM 643 N VAL A 62 6.285 23.422 -11.865 1.00 0.00 N ATOM 644 CA VAL A 62 7.087 24.655 -11.694 1.00 0.00 C ATOM 645 C VAL A 62 8.028 24.878 -12.883 1.00 0.00 C ATOM 646 O VAL A 62 8.006 25.954 -13.488 1.00 0.00 O ATOM 647 CB VAL A 62 7.845 24.640 -10.354 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.898 25.750 -10.222 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.867 24.806 -9.185 1.00 0.00 C ATOM 0 H VAL A 62 6.601 22.655 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 62 6.401 25.502 -11.669 1.00 0.00 H new ATOM 0 HB VAL A 62 8.354 23.677 -10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.388 25.673 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.640 25.643 -11.013 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.414 26.723 -10.307 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.418 24.793 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.340 25.755 -9.284 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.147 23.988 -9.194 1.00 0.00 H new ATOM 659 N LYS A 63 8.805 23.852 -13.269 1.00 0.00 N ATOM 660 CA LYS A 63 9.688 23.890 -14.454 1.00 0.00 C ATOM 661 C LYS A 63 8.910 23.980 -15.776 1.00 0.00 C ATOM 662 O LYS A 63 9.494 24.355 -16.792 1.00 0.00 O ATOM 663 CB LYS A 63 10.611 22.651 -14.502 1.00 0.00 C ATOM 664 CG LYS A 63 11.597 22.426 -13.341 1.00 0.00 C ATOM 665 CD LYS A 63 12.254 23.697 -12.788 1.00 0.00 C ATOM 666 CE LYS A 63 13.461 23.415 -11.880 1.00 0.00 C ATOM 667 NZ LYS A 63 14.665 22.963 -12.638 1.00 0.00 N ATOM 0 H LYS A 63 8.840 22.965 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 63 10.285 24.796 -14.348 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.977 21.767 -14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.190 22.704 -15.424 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.069 21.926 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.381 21.748 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.574 24.323 -13.621 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.512 24.266 -12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.708 24.318 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.190 22.652 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.805 21.943 -12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.528 23.151 -13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.502 23.479 -12.300 1.00 0.00 H new ATOM 681 N GLN A 64 7.603 23.684 -15.747 1.00 0.00 N ATOM 682 CA GLN A 64 6.621 23.794 -16.837 1.00 0.00 C ATOM 683 C GLN A 64 7.132 23.239 -18.180 1.00 0.00 C ATOM 684 O GLN A 64 6.952 23.833 -19.245 1.00 0.00 O ATOM 685 CB GLN A 64 5.964 25.188 -16.853 1.00 0.00 C ATOM 686 CG GLN A 64 6.909 26.377 -17.095 1.00 0.00 C ATOM 687 CD GLN A 64 6.292 27.688 -16.616 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.686 28.443 -17.368 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.419 28.005 -15.341 1.00 0.00 N ATOM 0 H GLN A 64 7.170 23.333 -14.893 1.00 0.00 H new ATOM 0 HA GLN A 64 5.793 23.115 -16.633 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.196 25.197 -17.626 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.458 25.340 -15.900 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.852 26.206 -16.575 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.140 26.449 -18.158 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.922 27.383 -14.708 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.014 28.872 -14.988 1.00 0.00 H new ATOM 698 N LEU A 65 7.796 22.078 -18.094 1.00 0.00 N ATOM 699 CA LEU A 65 8.563 21.448 -19.177 1.00 0.00 C ATOM 700 C LEU A 65 7.777 20.323 -19.891 1.00 0.00 C ATOM 701 O LEU A 65 8.344 19.450 -20.546 1.00 0.00 O ATOM 702 CB LEU A 65 9.937 21.041 -18.595 1.00 0.00 C ATOM 703 CG LEU A 65 11.097 20.873 -19.602 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.335 22.116 -20.465 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.392 20.613 -18.826 1.00 0.00 C ATOM 0 H LEU A 65 7.814 21.530 -17.234 1.00 0.00 H new ATOM 0 HA LEU A 65 8.740 22.150 -19.992 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.231 21.791 -17.860 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.814 20.100 -18.058 1.00 0.00 H new ATOM 0 HG LEU A 65 10.822 20.047 -20.257 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.163 21.931 -21.150 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.434 22.340 -21.037 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.578 22.963 -19.824 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.218 20.493 -19.527 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.596 21.456 -18.166 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.285 19.705 -18.233 1.00 0.00 H new ATOM 717 N TYR A 66 6.451 20.337 -19.751 1.00 0.00 N ATOM 718 CA TYR A 66 5.505 19.504 -20.499 1.00 0.00 C ATOM 719 C TYR A 66 5.147 20.124 -21.864 1.00 0.00 C ATOM 720 O TYR A 66 5.410 21.304 -22.116 1.00 0.00 O ATOM 721 CB TYR A 66 4.265 19.256 -19.625 1.00 0.00 C ATOM 722 CG TYR A 66 3.658 20.512 -19.024 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.858 21.360 -19.813 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.932 20.852 -17.685 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.330 22.545 -19.266 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.391 22.029 -17.129 1.00 0.00 C ATOM 727 CZ TYR A 66 2.589 22.881 -17.921 1.00 0.00 C ATOM 728 OH TYR A 66 2.069 24.029 -17.404 1.00 0.00 O ATOM 0 H TYR A 66 5.986 20.955 -19.086 1.00 0.00 H new ATOM 0 HA TYR A 66 5.971 18.546 -20.728 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.507 18.753 -20.226 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.535 18.576 -18.817 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.649 21.101 -20.840 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.558 20.210 -17.083 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.725 23.198 -19.878 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.590 22.280 -16.097 1.00 0.00 H new ATOM 0 HH TYR A 66 2.338 24.116 -16.466 1.00 0.00 H new ATOM 738 N ASP A 67 4.540 19.342 -22.762 1.00 0.00 N ATOM 739 CA ASP A 67 4.110 19.838 -24.077 1.00 0.00 C ATOM 740 C ASP A 67 2.907 20.791 -23.966 1.00 0.00 C ATOM 741 O ASP A 67 1.921 20.480 -23.291 1.00 0.00 O ATOM 742 CB ASP A 67 3.748 18.677 -25.015 1.00 0.00 C ATOM 743 CG ASP A 67 3.899 19.079 -26.491 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.093 19.909 -26.973 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.835 18.583 -27.163 1.00 0.00 O ATOM 0 H ASP A 67 4.333 18.356 -22.602 1.00 0.00 H new ATOM 0 HA ASP A 67 4.954 20.390 -24.491 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.389 17.822 -24.802 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.722 18.361 -24.826 1.00 0.00 H new ATOM 750 N GLN A 68 2.926 21.920 -24.682 1.00 0.00 N ATOM 751 CA GLN A 68 1.791 22.802 -24.841 1.00 0.00 C ATOM 752 C GLN A 68 0.520 22.074 -25.305 1.00 0.00 C ATOM 753 O GLN A 68 -0.560 22.329 -24.769 1.00 0.00 O ATOM 754 CB GLN A 68 2.235 23.855 -25.871 1.00 0.00 C ATOM 755 CG GLN A 68 1.489 25.171 -25.713 1.00 0.00 C ATOM 756 CD GLN A 68 0.265 25.329 -26.623 1.00 0.00 C ATOM 757 OE1 GLN A 68 0.231 26.170 -27.513 1.00 0.00 O ATOM 758 NE2 GLN A 68 -0.784 24.547 -26.461 1.00 0.00 N ATOM 0 H GLN A 68 3.758 22.244 -25.175 1.00 0.00 H new ATOM 0 HA GLN A 68 1.517 23.246 -23.884 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.305 24.032 -25.767 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.073 23.467 -26.877 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.168 25.268 -24.676 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.180 25.990 -25.911 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.783 23.838 -25.728 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.596 24.651 -27.069 1.00 0.00 H new ATOM 767 N GLN A 69 0.625 21.190 -26.301 1.00 0.00 N ATOM 768 CA GLN A 69 -0.522 20.509 -26.911 1.00 0.00 C ATOM 769 C GLN A 69 -0.993 19.298 -26.088 1.00 0.00 C ATOM 770 O GLN A 69 -2.076 18.762 -26.332 1.00 0.00 O ATOM 771 CB GLN A 69 -0.177 20.099 -28.355 1.00 0.00 C ATOM 772 CG GLN A 69 0.364 21.234 -29.250 1.00 0.00 C ATOM 773 CD GLN A 69 -0.576 22.431 -29.433 1.00 0.00 C ATOM 774 OE1 GLN A 69 -1.772 22.396 -29.169 1.00 0.00 O ATOM 775 NE2 GLN A 69 -0.068 23.548 -29.912 1.00 0.00 N ATOM 0 H GLN A 69 1.520 20.923 -26.712 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.356 21.211 -26.927 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.564 19.300 -28.321 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.071 19.685 -28.821 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.302 21.592 -28.826 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.594 20.821 -30.232 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.925 23.600 -30.139 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.668 24.360 -30.056 1.00 0.00 H new ATOM 784 N GLU A 70 -0.188 18.870 -25.111 1.00 0.00 N ATOM 785 CA GLU A 70 -0.481 17.733 -24.228 1.00 0.00 C ATOM 786 C GLU A 70 0.340 17.782 -22.929 1.00 0.00 C ATOM 787 O GLU A 70 1.443 17.241 -22.828 1.00 0.00 O ATOM 788 CB GLU A 70 -0.321 16.374 -24.949 1.00 0.00 C ATOM 789 CG GLU A 70 0.862 16.247 -25.927 1.00 0.00 C ATOM 790 CD GLU A 70 0.839 14.896 -26.675 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.123 14.631 -27.439 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.805 14.104 -26.552 1.00 0.00 O ATOM 0 H GLU A 70 0.707 19.314 -24.906 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.531 17.824 -23.949 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.222 15.596 -24.192 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.240 16.169 -25.498 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.828 17.063 -26.648 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.799 16.344 -25.380 1.00 0.00 H new ATOM 799 N GLN A 71 -0.260 18.366 -21.886 1.00 0.00 N ATOM 800 CA GLN A 71 0.302 18.440 -20.532 1.00 0.00 C ATOM 801 C GLN A 71 0.595 17.050 -19.928 1.00 0.00 C ATOM 802 O GLN A 71 1.375 16.936 -18.980 1.00 0.00 O ATOM 803 CB GLN A 71 -0.661 19.206 -19.606 1.00 0.00 C ATOM 804 CG GLN A 71 -0.893 20.685 -19.979 1.00 0.00 C ATOM 805 CD GLN A 71 -1.891 20.945 -21.115 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.528 20.057 -21.670 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.071 22.188 -21.508 1.00 0.00 N ATOM 0 H GLN A 71 -1.174 18.812 -21.962 1.00 0.00 H new ATOM 0 HA GLN A 71 1.253 18.967 -20.614 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.623 18.693 -19.604 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.274 19.161 -18.588 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.239 21.213 -19.090 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.065 21.123 -20.257 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.552 22.944 -21.061 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.729 22.395 -22.259 1.00 0.00 H new ATOM 816 N HIS A 72 0.000 15.990 -20.495 1.00 0.00 N ATOM 817 CA HIS A 72 0.245 14.598 -20.112 1.00 0.00 C ATOM 818 C HIS A 72 1.689 14.137 -20.415 1.00 0.00 C ATOM 819 O HIS A 72 2.188 13.227 -19.747 1.00 0.00 O ATOM 820 CB HIS A 72 -0.820 13.685 -20.770 1.00 0.00 C ATOM 821 CG HIS A 72 -0.284 12.758 -21.837 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.040 13.133 -23.141 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.095 11.460 -21.646 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.619 12.059 -23.703 1.00 0.00 C ATOM 825 NE2 HIS A 72 0.657 11.036 -22.832 1.00 0.00 N ATOM 0 H HIS A 72 -0.680 16.083 -21.250 1.00 0.00 H new ATOM 0 HA HIS A 72 0.147 14.521 -19.029 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.296 13.086 -19.993 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.596 14.312 -21.209 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.022 10.879 -20.743 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.000 12.023 -24.713 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.036 10.107 -23.016 1.00 0.00 H new ATOM 833 N MET A 73 2.350 14.758 -21.401 1.00 0.00 N ATOM 834 CA MET A 73 3.691 14.418 -21.887 1.00 0.00 C ATOM 835 C MET A 73 4.740 15.384 -21.321 1.00 0.00 C ATOM 836 O MET A 73 4.582 16.603 -21.415 1.00 0.00 O ATOM 837 CB MET A 73 3.691 14.439 -23.424 1.00 0.00 C ATOM 838 CG MET A 73 5.038 14.033 -24.031 1.00 0.00 C ATOM 839 SD MET A 73 5.587 12.357 -23.606 1.00 0.00 S ATOM 840 CE MET A 73 7.184 12.350 -24.458 1.00 0.00 C ATOM 0 H MET A 73 1.944 15.547 -21.904 1.00 0.00 H new ATOM 0 HA MET A 73 3.955 13.417 -21.545 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.916 13.765 -23.791 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.431 15.440 -23.768 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.972 14.115 -25.116 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.797 14.743 -23.704 1.00 0.00 H new ATOM 0 HE1 MET A 73 7.749 11.465 -24.165 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.021 12.336 -25.536 1.00 0.00 H new ATOM 0 HE3 MET A 73 7.745 13.245 -24.187 1.00 0.00 H new ATOM 850 N VAL A 74 5.828 14.849 -20.762 1.00 0.00 N ATOM 851 CA VAL A 74 6.857 15.590 -20.014 1.00 0.00 C ATOM 852 C VAL A 74 8.228 15.443 -20.683 1.00 0.00 C ATOM 853 O VAL A 74 8.658 14.334 -21.007 1.00 0.00 O ATOM 854 CB VAL A 74 6.920 15.113 -18.547 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.921 15.947 -17.737 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.552 15.221 -17.856 1.00 0.00 C ATOM 0 H VAL A 74 6.028 13.850 -20.818 1.00 0.00 H new ATOM 0 HA VAL A 74 6.582 16.645 -20.021 1.00 0.00 H new ATOM 0 HB VAL A 74 7.235 14.070 -18.578 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.944 15.589 -16.708 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.914 15.852 -18.177 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.617 16.994 -17.750 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.637 14.876 -16.825 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.221 16.259 -17.865 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.827 14.604 -18.386 1.00 0.00 H new ATOM 866 N TYR A 75 8.937 16.562 -20.842 1.00 0.00 N ATOM 867 CA TYR A 75 10.324 16.633 -21.309 1.00 0.00 C ATOM 868 C TYR A 75 11.266 17.096 -20.193 1.00 0.00 C ATOM 869 O TYR A 75 10.851 17.711 -19.210 1.00 0.00 O ATOM 870 CB TYR A 75 10.407 17.544 -22.540 1.00 0.00 C ATOM 871 CG TYR A 75 9.693 16.929 -23.719 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.274 15.811 -24.339 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.425 17.390 -24.125 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.579 15.130 -25.349 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.740 16.729 -25.163 1.00 0.00 C ATOM 876 CZ TYR A 75 8.315 15.592 -25.778 1.00 0.00 C ATOM 877 OH TYR A 75 7.660 14.937 -26.777 1.00 0.00 O ATOM 0 H TYR A 75 8.545 17.482 -20.641 1.00 0.00 H new ATOM 0 HA TYR A 75 10.651 15.634 -21.597 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.966 18.514 -22.309 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.452 17.721 -22.795 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.256 15.476 -24.038 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.980 18.247 -23.642 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.012 14.249 -25.800 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.776 17.090 -25.489 1.00 0.00 H new ATOM 0 HH TYR A 75 6.804 15.380 -26.953 1.00 0.00 H new ATOM 887 N CYS A 76 12.551 16.778 -20.350 1.00 0.00 N ATOM 888 CA CYS A 76 13.619 17.043 -19.383 1.00 0.00 C ATOM 889 C CYS A 76 14.968 17.341 -20.066 1.00 0.00 C ATOM 890 O CYS A 76 16.023 17.023 -19.516 1.00 0.00 O ATOM 891 CB CYS A 76 13.743 15.843 -18.438 1.00 0.00 C ATOM 892 SG CYS A 76 12.213 15.451 -17.545 1.00 0.00 S ATOM 0 H CYS A 76 12.892 16.309 -21.189 1.00 0.00 H new ATOM 0 HA CYS A 76 13.355 17.937 -18.818 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.050 14.970 -19.013 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.534 16.043 -17.715 1.00 0.00 H new ATOM 0 HG CYS A 76 11.264 16.248 -17.939 1.00 0.00 H new ATOM 898 N GLY A 77 14.949 17.883 -21.288 1.00 0.00 N ATOM 899 CA GLY A 77 16.150 18.049 -22.112 1.00 0.00 C ATOM 900 C GLY A 77 17.204 18.941 -21.445 1.00 0.00 C ATOM 901 O GLY A 77 16.966 20.128 -21.208 1.00 0.00 O ATOM 0 H GLY A 77 14.096 18.220 -21.735 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.584 17.070 -22.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.870 18.480 -23.073 1.00 0.00 H new ATOM 905 N GLY A 78 18.359 18.355 -21.121 1.00 0.00 N ATOM 906 CA GLY A 78 19.455 19.000 -20.394 1.00 0.00 C ATOM 907 C GLY A 78 19.168 19.319 -18.917 1.00 0.00 C ATOM 908 O GLY A 78 19.925 20.086 -18.317 1.00 0.00 O ATOM 0 H GLY A 78 18.564 17.386 -21.366 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.332 18.355 -20.445 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.712 19.928 -20.905 1.00 0.00 H new ATOM 912 N ASP A 79 18.095 18.784 -18.316 1.00 0.00 N ATOM 913 CA ASP A 79 17.679 19.102 -16.952 1.00 0.00 C ATOM 914 C ASP A 79 18.191 18.065 -15.936 1.00 0.00 C ATOM 915 O ASP A 79 18.328 16.864 -16.216 1.00 0.00 O ATOM 916 CB ASP A 79 16.152 19.281 -16.902 1.00 0.00 C ATOM 917 CG ASP A 79 15.711 19.992 -15.614 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.667 21.244 -15.582 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.447 19.289 -14.615 1.00 0.00 O ATOM 0 H ASP A 79 17.485 18.108 -18.776 1.00 0.00 H new ATOM 0 HA ASP A 79 18.137 20.047 -16.658 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.823 19.857 -17.767 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.668 18.306 -16.965 1.00 0.00 H new ATOM 924 N LEU A 80 18.421 18.533 -14.709 1.00 0.00 N ATOM 925 CA LEU A 80 18.815 17.693 -13.582 1.00 0.00 C ATOM 926 C LEU A 80 17.770 16.592 -13.301 1.00 0.00 C ATOM 927 O LEU A 80 18.133 15.518 -12.834 1.00 0.00 O ATOM 928 CB LEU A 80 19.126 18.561 -12.352 1.00 0.00 C ATOM 929 CG LEU A 80 20.501 19.263 -12.376 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.610 20.386 -13.411 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.786 19.873 -11.002 1.00 0.00 C ATOM 0 H LEU A 80 18.337 19.521 -14.469 1.00 0.00 H new ATOM 0 HA LEU A 80 19.733 17.166 -13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.350 19.320 -12.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.071 17.935 -11.461 1.00 0.00 H new ATOM 0 HG LEU A 80 21.222 18.492 -12.646 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.605 20.828 -13.365 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.440 19.980 -14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.863 21.151 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.757 20.369 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.011 20.600 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.794 19.085 -10.249 1.00 0.00 H new ATOM 943 N LEU A 81 16.491 16.812 -13.627 1.00 0.00 N ATOM 944 CA LEU A 81 15.441 15.784 -13.585 1.00 0.00 C ATOM 945 C LEU A 81 15.671 14.656 -14.611 1.00 0.00 C ATOM 946 O LEU A 81 15.473 13.484 -14.290 1.00 0.00 O ATOM 947 CB LEU A 81 14.082 16.479 -13.792 1.00 0.00 C ATOM 948 CG LEU A 81 12.864 15.537 -13.865 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.640 14.806 -12.545 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.586 16.318 -14.168 1.00 0.00 C ATOM 0 H LEU A 81 16.150 17.723 -13.932 1.00 0.00 H new ATOM 0 HA LEU A 81 15.463 15.292 -12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.926 17.185 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.126 17.060 -14.713 1.00 0.00 H new ATOM 0 HG LEU A 81 13.079 14.822 -14.659 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.773 14.151 -12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.521 14.211 -12.305 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.466 15.533 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.742 15.630 -14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.413 17.052 -13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.690 16.829 -15.125 1.00 0.00 H new ATOM 962 N GLY A 82 16.137 14.986 -15.820 1.00 0.00 N ATOM 963 CA GLY A 82 16.534 13.994 -16.828 1.00 0.00 C ATOM 964 C GLY A 82 17.782 13.223 -16.401 1.00 0.00 C ATOM 965 O GLY A 82 17.840 12.006 -16.565 1.00 0.00 O ATOM 0 H GLY A 82 16.250 15.951 -16.129 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.714 13.296 -16.994 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.723 14.495 -17.777 1.00 0.00 H new ATOM 969 N GLU A 83 18.742 13.892 -15.754 1.00 0.00 N ATOM 970 CA GLU A 83 19.895 13.244 -15.139 1.00 0.00 C ATOM 971 C GLU A 83 19.493 12.332 -13.954 1.00 0.00 C ATOM 972 O GLU A 83 20.047 11.241 -13.804 1.00 0.00 O ATOM 973 CB GLU A 83 20.829 14.389 -14.745 1.00 0.00 C ATOM 974 CG GLU A 83 21.945 14.036 -13.776 1.00 0.00 C ATOM 975 CD GLU A 83 22.944 12.978 -14.296 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.170 12.877 -15.527 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.548 12.257 -13.464 1.00 0.00 O ATOM 0 H GLU A 83 18.737 14.906 -15.644 1.00 0.00 H new ATOM 0 HA GLU A 83 20.394 12.557 -15.823 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.277 14.794 -15.652 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.229 15.185 -14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.495 14.945 -13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.501 13.672 -12.850 1.00 0.00 H new ATOM 984 N LEU A 84 18.498 12.734 -13.151 1.00 0.00 N ATOM 985 CA LEU A 84 17.977 11.972 -12.009 1.00 0.00 C ATOM 986 C LEU A 84 17.261 10.680 -12.446 1.00 0.00 C ATOM 987 O LEU A 84 17.490 9.622 -11.855 1.00 0.00 O ATOM 988 CB LEU A 84 17.043 12.889 -11.190 1.00 0.00 C ATOM 989 CG LEU A 84 16.423 12.257 -9.928 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.467 11.969 -8.852 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.385 13.212 -9.333 1.00 0.00 C ATOM 0 H LEU A 84 18.020 13.625 -13.283 1.00 0.00 H new ATOM 0 HA LEU A 84 18.813 11.651 -11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.604 13.775 -10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.235 13.227 -11.839 1.00 0.00 H new ATOM 0 HG LEU A 84 15.968 11.315 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.981 11.525 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.213 11.277 -9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.954 12.899 -8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.947 12.764 -8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.866 14.153 -9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.601 13.400 -10.066 1.00 0.00 H new ATOM 1003 N LEU A 85 16.412 10.754 -13.480 1.00 0.00 N ATOM 1004 CA LEU A 85 15.651 9.602 -14.000 1.00 0.00 C ATOM 1005 C LEU A 85 16.425 8.777 -15.048 1.00 0.00 C ATOM 1006 O LEU A 85 16.059 7.631 -15.314 1.00 0.00 O ATOM 1007 CB LEU A 85 14.286 10.078 -14.546 1.00 0.00 C ATOM 1008 CG LEU A 85 13.167 10.106 -13.485 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.473 11.018 -12.299 1.00 0.00 C ATOM 1010 CD2 LEU A 85 11.862 10.589 -14.117 1.00 0.00 C ATOM 0 H LEU A 85 16.230 11.621 -13.986 1.00 0.00 H new ATOM 0 HA LEU A 85 15.486 8.922 -13.164 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.401 11.077 -14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.983 9.423 -15.363 1.00 0.00 H new ATOM 0 HG LEU A 85 13.085 9.084 -13.114 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.643 10.988 -11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 85 14.383 10.678 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.612 12.040 -12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.076 10.606 -13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.002 11.593 -14.518 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.576 9.913 -14.923 1.00 0.00 H new ATOM 1022 N GLY A 86 17.478 9.338 -15.654 1.00 0.00 N ATOM 1023 CA GLY A 86 18.265 8.700 -16.718 1.00 0.00 C ATOM 1024 C GLY A 86 17.621 8.770 -18.113 1.00 0.00 C ATOM 1025 O GLY A 86 18.155 8.189 -19.061 1.00 0.00 O ATOM 0 H GLY A 86 17.815 10.270 -15.413 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.247 9.172 -16.760 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.425 7.654 -16.457 1.00 0.00 H new ATOM 1029 N ARG A 87 16.487 9.477 -18.248 1.00 0.00 N ATOM 1030 CA ARG A 87 15.759 9.726 -19.508 1.00 0.00 C ATOM 1031 C ARG A 87 15.254 11.159 -19.588 1.00 0.00 C ATOM 1032 O ARG A 87 14.811 11.715 -18.587 1.00 0.00 O ATOM 1033 CB ARG A 87 14.567 8.759 -19.660 1.00 0.00 C ATOM 1034 CG ARG A 87 14.982 7.300 -19.873 1.00 0.00 C ATOM 1035 CD ARG A 87 13.739 6.432 -20.093 1.00 0.00 C ATOM 1036 NE ARG A 87 14.088 5.004 -20.225 1.00 0.00 N ATOM 1037 CZ ARG A 87 13.280 4.020 -20.586 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.029 4.223 -20.894 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.720 2.796 -20.644 1.00 0.00 N ATOM 0 H ARG A 87 16.030 9.911 -17.446 1.00 0.00 H new ATOM 0 HA ARG A 87 16.466 9.557 -20.320 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.942 8.824 -18.769 1.00 0.00 H new ATOM 0 HB3 ARG A 87 13.955 9.080 -20.503 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.647 7.224 -20.734 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.539 6.941 -19.007 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.051 6.563 -19.258 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.217 6.764 -20.991 1.00 0.00 H new ATOM 0 HE ARG A 87 15.053 4.749 -20.016 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.642 5.166 -20.861 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.437 3.438 -21.168 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.692 2.592 -20.411 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.093 2.041 -20.923 1.00 0.00 H new ATOM 1053 N GLN A 88 15.264 11.732 -20.794 1.00 0.00 N ATOM 1054 CA GLN A 88 14.859 13.127 -21.027 1.00 0.00 C ATOM 1055 C GLN A 88 13.390 13.291 -21.445 1.00 0.00 C ATOM 1056 O GLN A 88 12.961 14.397 -21.771 1.00 0.00 O ATOM 1057 CB GLN A 88 15.852 13.850 -21.947 1.00 0.00 C ATOM 1058 CG GLN A 88 17.231 13.903 -21.273 1.00 0.00 C ATOM 1059 CD GLN A 88 18.305 14.507 -22.175 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.718 15.647 -22.016 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.800 13.781 -23.156 1.00 0.00 N ATOM 0 H GLN A 88 15.553 11.243 -21.641 1.00 0.00 H new ATOM 0 HA GLN A 88 14.905 13.629 -20.061 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.923 13.331 -22.903 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.500 14.860 -22.158 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.161 14.489 -20.356 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.529 12.895 -20.985 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.467 12.828 -23.303 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.516 14.172 -23.768 1.00 0.00 H new ATOM 1070 N SER A 89 12.607 12.210 -21.418 1.00 0.00 N ATOM 1071 CA SER A 89 11.144 12.266 -21.569 1.00 0.00 C ATOM 1072 C SER A 89 10.408 11.089 -20.911 1.00 0.00 C ATOM 1073 O SER A 89 10.940 9.980 -20.805 1.00 0.00 O ATOM 1074 CB SER A 89 10.735 12.393 -23.041 1.00 0.00 C ATOM 1075 OG SER A 89 11.084 11.246 -23.803 1.00 0.00 O ATOM 0 H SER A 89 12.968 11.265 -21.290 1.00 0.00 H new ATOM 0 HA SER A 89 10.835 13.164 -21.034 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.659 12.553 -23.103 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.213 13.272 -23.473 1.00 0.00 H new ATOM 0 HG SER A 89 10.802 11.373 -24.733 1.00 0.00 H new ATOM 1081 N PHE A 90 9.179 11.351 -20.461 1.00 0.00 N ATOM 1082 CA PHE A 90 8.209 10.387 -19.919 1.00 0.00 C ATOM 1083 C PHE A 90 6.792 10.995 -19.960 1.00 0.00 C ATOM 1084 O PHE A 90 6.620 12.153 -20.340 1.00 0.00 O ATOM 1085 CB PHE A 90 8.604 9.975 -18.486 1.00 0.00 C ATOM 1086 CG PHE A 90 8.712 11.105 -17.478 1.00 0.00 C ATOM 1087 CD1 PHE A 90 7.589 11.494 -16.720 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.948 11.748 -17.275 1.00 0.00 C ATOM 1089 CE1 PHE A 90 7.703 12.525 -15.770 1.00 0.00 C ATOM 1090 CE2 PHE A 90 10.061 12.775 -16.323 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.941 13.163 -15.571 1.00 0.00 C ATOM 0 H PHE A 90 8.808 12.301 -20.464 1.00 0.00 H new ATOM 0 HA PHE A 90 8.213 9.487 -20.533 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.871 9.256 -18.120 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.563 9.459 -18.528 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.640 11.000 -16.869 1.00 0.00 H new ATOM 0 HD2 PHE A 90 10.811 11.451 -17.852 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.841 12.827 -15.194 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.010 13.266 -16.170 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.030 13.952 -14.839 1.00 0.00 H new ATOM 1101 N SER A 91 5.760 10.246 -19.568 1.00 0.00 N ATOM 1102 CA SER A 91 4.380 10.752 -19.505 1.00 0.00 C ATOM 1103 C SER A 91 3.615 10.198 -18.302 1.00 0.00 C ATOM 1104 O SER A 91 4.071 9.266 -17.639 1.00 0.00 O ATOM 1105 CB SER A 91 3.655 10.414 -20.812 1.00 0.00 C ATOM 1106 OG SER A 91 3.226 9.063 -20.805 1.00 0.00 O ATOM 0 H SER A 91 5.853 9.271 -19.284 1.00 0.00 H new ATOM 0 HA SER A 91 4.421 11.834 -19.378 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.797 11.074 -20.940 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.319 10.587 -21.659 1.00 0.00 H new ATOM 0 HG SER A 91 2.763 8.862 -21.645 1.00 0.00 H new ATOM 1112 N VAL A 92 2.411 10.718 -18.043 1.00 0.00 N ATOM 1113 CA VAL A 92 1.493 10.132 -17.042 1.00 0.00 C ATOM 1114 C VAL A 92 0.856 8.801 -17.494 1.00 0.00 C ATOM 1115 O VAL A 92 0.210 8.128 -16.690 1.00 0.00 O ATOM 1116 CB VAL A 92 0.436 11.142 -16.554 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.103 12.381 -15.943 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.507 11.589 -17.674 1.00 0.00 C ATOM 0 H VAL A 92 2.042 11.546 -18.511 1.00 0.00 H new ATOM 0 HA VAL A 92 2.120 9.884 -16.186 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.152 10.624 -15.796 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.336 13.078 -15.606 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.719 12.082 -15.095 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.729 12.864 -16.693 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.232 12.300 -17.277 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.070 12.064 -18.468 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.031 10.722 -18.076 1.00 0.00 H new ATOM 1128 N LYS A 93 1.062 8.390 -18.760 1.00 0.00 N ATOM 1129 CA LYS A 93 0.713 7.054 -19.290 1.00 0.00 C ATOM 1130 C LYS A 93 1.896 6.073 -19.235 1.00 0.00 C ATOM 1131 O LYS A 93 1.684 4.863 -19.157 1.00 0.00 O ATOM 1132 CB LYS A 93 0.179 7.176 -20.728 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.173 7.903 -20.804 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.665 7.987 -22.257 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.984 8.765 -22.337 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.486 8.852 -23.736 1.00 0.00 N ATOM 0 H LYS A 93 1.488 8.994 -19.463 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.068 6.645 -18.649 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.908 7.711 -21.337 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.075 6.180 -21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.909 7.377 -20.196 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.076 8.906 -20.389 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.911 8.475 -22.874 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.804 6.983 -22.658 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.732 8.279 -21.711 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.839 9.769 -21.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.379 9.385 -23.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.782 9.338 -24.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.648 7.894 -24.107 1.00 0.00 H new ATOM 1150 N ASP A 94 3.127 6.589 -19.235 1.00 0.00 N ATOM 1151 CA ASP A 94 4.385 5.838 -19.129 1.00 0.00 C ATOM 1152 C ASP A 94 5.315 6.414 -18.026 1.00 0.00 C ATOM 1153 O ASP A 94 6.398 6.928 -18.331 1.00 0.00 O ATOM 1154 CB ASP A 94 5.038 5.800 -20.523 1.00 0.00 C ATOM 1155 CG ASP A 94 6.306 4.927 -20.575 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.333 3.846 -19.939 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.264 5.291 -21.301 1.00 0.00 O ATOM 0 H ASP A 94 3.284 7.594 -19.313 1.00 0.00 H new ATOM 0 HA ASP A 94 4.187 4.815 -18.810 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.315 5.422 -21.246 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.291 6.816 -20.826 1.00 0.00 H new ATOM 1162 N PRO A 95 4.911 6.362 -16.736 1.00 0.00 N ATOM 1163 CA PRO A 95 5.678 6.910 -15.608 1.00 0.00 C ATOM 1164 C PRO A 95 6.804 5.982 -15.111 1.00 0.00 C ATOM 1165 O PRO A 95 7.519 6.322 -14.167 1.00 0.00 O ATOM 1166 CB PRO A 95 4.629 7.152 -14.519 1.00 0.00 C ATOM 1167 CG PRO A 95 3.676 5.976 -14.728 1.00 0.00 C ATOM 1168 CD PRO A 95 3.628 5.862 -16.251 1.00 0.00 C ATOM 0 HA PRO A 95 6.207 7.816 -15.903 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.068 7.149 -13.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.126 8.111 -14.643 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.049 5.063 -14.263 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.691 6.170 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.471 4.828 -16.559 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.803 6.445 -16.660 1.00 0.00 H new ATOM 1176 N SER A 96 6.974 4.808 -15.729 1.00 0.00 N ATOM 1177 CA SER A 96 7.911 3.743 -15.337 1.00 0.00 C ATOM 1178 C SER A 96 9.349 4.183 -14.998 1.00 0.00 C ATOM 1179 O SER A 96 9.901 3.603 -14.064 1.00 0.00 O ATOM 1180 CB SER A 96 7.951 2.659 -16.424 1.00 0.00 C ATOM 1181 OG SER A 96 6.641 2.158 -16.660 1.00 0.00 O ATOM 0 H SER A 96 6.435 4.560 -16.559 1.00 0.00 H new ATOM 0 HA SER A 96 7.509 3.365 -14.397 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.363 3.071 -17.345 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.610 1.847 -16.115 1.00 0.00 H new ATOM 0 HG SER A 96 6.675 1.469 -17.356 1.00 0.00 H new ATOM 1187 N PRO A 97 9.971 5.203 -15.636 1.00 0.00 N ATOM 1188 CA PRO A 97 11.322 5.650 -15.271 1.00 0.00 C ATOM 1189 C PRO A 97 11.476 6.131 -13.816 1.00 0.00 C ATOM 1190 O PRO A 97 12.553 5.980 -13.244 1.00 0.00 O ATOM 1191 CB PRO A 97 11.672 6.757 -16.273 1.00 0.00 C ATOM 1192 CG PRO A 97 10.853 6.370 -17.502 1.00 0.00 C ATOM 1193 CD PRO A 97 9.562 5.862 -16.873 1.00 0.00 C ATOM 0 HA PRO A 97 12.008 4.804 -15.321 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.398 7.743 -15.898 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.740 6.784 -16.490 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.679 7.221 -18.161 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.347 5.602 -18.097 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.873 6.682 -16.673 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.047 5.168 -17.537 1.00 0.00 H new ATOM 1201 N LEU A 98 10.409 6.650 -13.190 1.00 0.00 N ATOM 1202 CA LEU A 98 10.366 7.014 -11.761 1.00 0.00 C ATOM 1203 C LEU A 98 10.435 5.751 -10.883 1.00 0.00 C ATOM 1204 O LEU A 98 11.294 5.605 -10.002 1.00 0.00 O ATOM 1205 CB LEU A 98 9.069 7.834 -11.551 1.00 0.00 C ATOM 1206 CG LEU A 98 8.839 8.493 -10.177 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.642 9.440 -10.274 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.508 7.510 -9.052 1.00 0.00 C ATOM 0 H LEU A 98 9.530 6.834 -13.673 1.00 0.00 H new ATOM 0 HA LEU A 98 11.224 7.618 -11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.046 8.620 -12.305 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.223 7.176 -11.751 1.00 0.00 H new ATOM 0 HG LEU A 98 9.778 8.991 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.471 9.911 -9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.845 10.208 -11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.755 8.877 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.362 8.058 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.596 6.967 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.330 6.804 -8.932 1.00 0.00 H new ATOM 1220 N TYR A 99 9.547 4.797 -11.166 1.00 0.00 N ATOM 1221 CA TYR A 99 9.469 3.545 -10.421 1.00 0.00 C ATOM 1222 C TYR A 99 10.734 2.700 -10.598 1.00 0.00 C ATOM 1223 O TYR A 99 11.218 2.131 -9.627 1.00 0.00 O ATOM 1224 CB TYR A 99 8.200 2.780 -10.816 1.00 0.00 C ATOM 1225 CG TYR A 99 6.922 3.529 -10.484 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.471 3.581 -9.150 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.196 4.190 -11.495 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.301 4.292 -8.824 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.026 4.902 -11.171 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.574 4.957 -9.835 1.00 0.00 C ATOM 1231 OH TYR A 99 3.433 5.636 -9.534 1.00 0.00 O ATOM 0 H TYR A 99 8.863 4.873 -11.919 1.00 0.00 H new ATOM 0 HA TYR A 99 9.407 3.777 -9.358 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.226 2.575 -11.886 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.191 1.816 -10.307 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.025 3.073 -8.375 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.538 4.150 -12.519 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.959 4.329 -7.800 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.472 5.408 -11.948 1.00 0.00 H new ATOM 0 HH TYR A 99 3.064 6.033 -10.350 1.00 0.00 H new ATOM 1241 N ASP A 100 11.347 2.700 -11.783 1.00 0.00 N ATOM 1242 CA ASP A 100 12.644 2.059 -12.027 1.00 0.00 C ATOM 1243 C ASP A 100 13.797 2.728 -11.259 1.00 0.00 C ATOM 1244 O ASP A 100 14.739 2.061 -10.827 1.00 0.00 O ATOM 1245 CB ASP A 100 12.942 2.088 -13.526 1.00 0.00 C ATOM 1246 CG ASP A 100 14.119 1.164 -13.884 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.098 -0.027 -13.487 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.069 1.621 -14.563 1.00 0.00 O ATOM 0 H ASP A 100 10.954 3.149 -12.610 1.00 0.00 H new ATOM 0 HA ASP A 100 12.574 1.034 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.055 1.781 -14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.172 3.108 -13.833 1.00 0.00 H new ATOM 1253 N MET A 101 13.696 4.042 -11.041 1.00 0.00 N ATOM 1254 CA MET A 101 14.594 4.805 -10.169 1.00 0.00 C ATOM 1255 C MET A 101 14.484 4.334 -8.709 1.00 0.00 C ATOM 1256 O MET A 101 15.516 4.092 -8.084 1.00 0.00 O ATOM 1257 CB MET A 101 14.352 6.322 -10.362 1.00 0.00 C ATOM 1258 CG MET A 101 14.164 7.165 -9.093 1.00 0.00 C ATOM 1259 SD MET A 101 13.506 8.829 -9.395 1.00 0.00 S ATOM 1260 CE MET A 101 12.090 8.781 -8.258 1.00 0.00 C ATOM 0 H MET A 101 12.973 4.617 -11.474 1.00 0.00 H new ATOM 0 HA MET A 101 15.630 4.616 -10.452 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.195 6.731 -10.919 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.467 6.447 -10.986 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.491 6.638 -8.417 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.124 7.253 -8.583 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.554 9.729 -8.304 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.420 7.971 -8.546 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.445 8.614 -7.241 1.00 0.00 H new ATOM 1270 N LEU A 102 13.264 4.168 -8.169 1.00 0.00 N ATOM 1271 CA LEU A 102 13.075 3.851 -6.741 1.00 0.00 C ATOM 1272 C LEU A 102 12.983 2.366 -6.386 1.00 0.00 C ATOM 1273 O LEU A 102 13.283 2.020 -5.246 1.00 0.00 O ATOM 1274 CB LEU A 102 11.945 4.679 -6.115 1.00 0.00 C ATOM 1275 CG LEU A 102 10.539 4.583 -6.728 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.816 3.280 -6.393 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.704 5.744 -6.194 1.00 0.00 C ATOM 0 H LEU A 102 12.395 4.248 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 102 14.015 4.155 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.869 4.396 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.247 5.726 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 102 10.657 4.617 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.830 3.281 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.394 2.436 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.707 3.192 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.701 5.695 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.643 5.679 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.171 6.688 -6.476 1.00 0.00 H new ATOM 1289 N ARG A 103 12.667 1.472 -7.330 1.00 0.00 N ATOM 1290 CA ARG A 103 12.597 0.016 -7.071 1.00 0.00 C ATOM 1291 C ARG A 103 13.941 -0.579 -6.637 1.00 0.00 C ATOM 1292 O ARG A 103 14.014 -1.564 -5.906 1.00 0.00 O ATOM 1293 CB ARG A 103 12.001 -0.725 -8.288 1.00 0.00 C ATOM 1294 CG ARG A 103 12.801 -0.683 -9.603 1.00 0.00 C ATOM 1295 CD ARG A 103 13.931 -1.709 -9.768 1.00 0.00 C ATOM 1296 NE ARG A 103 14.500 -1.632 -11.126 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.453 -2.374 -11.652 1.00 0.00 C ATOM 1298 NH1 ARG A 103 16.049 -3.334 -11.001 1.00 0.00 N ATOM 1299 NH2 ARG A 103 15.811 -2.134 -12.876 1.00 0.00 N ATOM 0 H ARG A 103 12.452 1.729 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 103 11.926 -0.128 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.862 -1.770 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.011 -0.312 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.102 -0.815 -10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.231 0.313 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.710 -1.523 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.549 -2.713 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 103 14.106 -0.914 -11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.782 -3.539 -10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.782 -3.880 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.357 -1.388 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.546 -2.692 -13.311 1.00 0.00 H new ATOM 1313 N LYS A 104 15.004 0.089 -7.091 1.00 0.00 N ATOM 1314 CA LYS A 104 16.414 -0.097 -6.725 1.00 0.00 C ATOM 1315 C LYS A 104 16.698 0.254 -5.254 1.00 0.00 C ATOM 1316 O LYS A 104 17.615 -0.316 -4.664 1.00 0.00 O ATOM 1317 CB LYS A 104 17.210 0.769 -7.717 1.00 0.00 C ATOM 1318 CG LYS A 104 18.727 0.814 -7.492 1.00 0.00 C ATOM 1319 CD LYS A 104 19.469 1.445 -8.685 1.00 0.00 C ATOM 1320 CE LYS A 104 18.900 2.813 -9.107 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.734 3.442 -10.170 1.00 0.00 N ATOM 0 H LYS A 104 14.894 0.834 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 104 16.709 -1.144 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.022 0.400 -8.725 1.00 0.00 H new ATOM 0 HB3 LYS A 104 16.824 1.787 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.943 1.384 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.099 -0.197 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.522 1.562 -8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.422 0.763 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.879 2.689 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.853 3.473 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.326 4.362 -10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.701 3.582 -9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.758 2.822 -11.005 1.00 0.00 H new ATOM 1335 N ASN A 105 15.907 1.154 -4.655 1.00 0.00 N ATOM 1336 CA ASN A 105 16.049 1.569 -3.251 1.00 0.00 C ATOM 1337 C ASN A 105 15.094 0.833 -2.283 1.00 0.00 C ATOM 1338 O ASN A 105 15.564 0.303 -1.274 1.00 0.00 O ATOM 1339 CB ASN A 105 15.924 3.099 -3.171 1.00 0.00 C ATOM 1340 CG ASN A 105 17.063 3.805 -3.893 1.00 0.00 C ATOM 1341 OD1 ASN A 105 16.916 4.303 -4.998 1.00 0.00 O ATOM 1342 ND2 ASN A 105 18.235 3.861 -3.299 1.00 0.00 N ATOM 0 H ASN A 105 15.140 1.621 -5.138 1.00 0.00 H new ATOM 0 HA ASN A 105 17.040 1.274 -2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.973 3.408 -3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.912 3.407 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.020 4.320 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.359 3.445 -2.376 1.00 0.00 H new ATOM 1349 N LEU A 106 13.786 0.756 -2.581 1.00 0.00 N ATOM 1350 CA LEU A 106 12.814 -0.088 -1.862 1.00 0.00 C ATOM 1351 C LEU A 106 11.989 -0.982 -2.809 1.00 0.00 C ATOM 1352 O LEU A 106 11.586 -0.546 -3.886 1.00 0.00 O ATOM 1353 CB LEU A 106 11.919 0.764 -0.930 1.00 0.00 C ATOM 1354 CG LEU A 106 10.763 1.555 -1.584 1.00 0.00 C ATOM 1355 CD1 LEU A 106 9.807 2.092 -0.521 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.232 2.754 -2.408 1.00 0.00 C ATOM 0 H LEU A 106 13.366 1.288 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 106 13.385 -0.771 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.491 0.103 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.558 1.474 -0.405 1.00 0.00 H new ATOM 0 HG LEU A 106 10.273 0.842 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.001 2.645 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.388 1.260 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.349 2.754 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.368 3.261 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.777 3.446 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.886 2.411 -3.210 1.00 0.00 H new ATOM 1368 N VAL A 107 11.664 -2.208 -2.380 1.00 0.00 N ATOM 1369 CA VAL A 107 10.704 -3.084 -3.086 1.00 0.00 C ATOM 1370 C VAL A 107 9.283 -2.589 -2.790 1.00 0.00 C ATOM 1371 O VAL A 107 8.870 -2.537 -1.629 1.00 0.00 O ATOM 1372 CB VAL A 107 10.888 -4.567 -2.701 1.00 0.00 C ATOM 1373 CG1 VAL A 107 9.903 -5.470 -3.456 1.00 0.00 C ATOM 1374 CG2 VAL A 107 12.307 -5.053 -3.033 1.00 0.00 C ATOM 0 H VAL A 107 12.055 -2.626 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 107 10.889 -3.030 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 107 10.706 -4.630 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.061 -6.507 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.882 -5.175 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.066 -5.369 -4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.408 -6.101 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 107 12.487 -4.946 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.034 -4.457 -2.481 1.00 0.00 H new ATOM 1384 N THR A 108 8.548 -2.175 -3.828 1.00 0.00 N ATOM 1385 CA THR A 108 7.257 -1.469 -3.694 1.00 0.00 C ATOM 1386 C THR A 108 6.392 -1.543 -4.968 1.00 0.00 C ATOM 1387 O THR A 108 6.748 -2.205 -5.947 1.00 0.00 O ATOM 1388 CB THR A 108 7.538 -0.011 -3.274 1.00 0.00 C ATOM 1389 OG1 THR A 108 6.364 0.649 -2.843 1.00 0.00 O ATOM 1390 CG2 THR A 108 8.193 0.826 -4.374 1.00 0.00 C ATOM 0 H THR A 108 8.831 -2.319 -4.797 1.00 0.00 H new ATOM 0 HA THR A 108 6.667 -1.968 -2.925 1.00 0.00 H new ATOM 0 HB THR A 108 8.242 -0.094 -2.446 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.602 1.508 -2.436 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.361 1.839 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.147 0.378 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.539 0.858 -5.245 1.00 0.00 H new ATOM 1398 N LEU A 109 5.233 -0.879 -4.939 1.00 0.00 N ATOM 1399 CA LEU A 109 4.235 -0.826 -6.015 1.00 0.00 C ATOM 1400 C LEU A 109 4.649 0.109 -7.172 1.00 0.00 C ATOM 1401 O LEU A 109 5.436 1.042 -6.991 1.00 0.00 O ATOM 1402 CB LEU A 109 2.874 -0.393 -5.429 1.00 0.00 C ATOM 1403 CG LEU A 109 2.307 -1.296 -4.314 1.00 0.00 C ATOM 1404 CD1 LEU A 109 0.983 -0.718 -3.811 1.00 0.00 C ATOM 1405 CD2 LEU A 109 2.052 -2.728 -4.789 1.00 0.00 C ATOM 0 H LEU A 109 4.950 -0.336 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 109 4.157 -1.826 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.974 0.619 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.147 -0.349 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 109 3.055 -1.327 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.583 -1.357 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.150 0.284 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.271 -0.669 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.654 -3.319 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.333 -2.717 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.987 -3.169 -5.133 1.00 0.00 H new ATOM 1417 N ALA A 110 4.074 -0.126 -8.356 1.00 0.00 N ATOM 1418 CA ALA A 110 4.245 0.686 -9.565 1.00 0.00 C ATOM 1419 C ALA A 110 3.000 0.643 -10.470 1.00 0.00 C ATOM 1420 O ALA A 110 2.049 -0.101 -10.205 1.00 0.00 O ATOM 1421 CB ALA A 110 5.467 0.180 -10.335 1.00 0.00 C ATOM 0 H ALA A 110 3.451 -0.920 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 110 4.389 1.723 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.602 0.778 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.354 0.265 -9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.316 -0.864 -10.611 1.00 0.00 H new ATOM 1427 N THR A 111 3.005 1.437 -11.547 1.00 0.00 N ATOM 1428 CA THR A 111 1.872 1.550 -12.482 1.00 0.00 C ATOM 1429 C THR A 111 2.274 1.960 -13.903 1.00 0.00 C ATOM 1430 O THR A 111 3.382 2.461 -14.137 1.00 0.00 O ATOM 1431 CB THR A 111 0.843 2.520 -11.888 1.00 0.00 C ATOM 1432 OG1 THR A 111 -0.409 2.366 -12.528 1.00 0.00 O ATOM 1433 CG2 THR A 111 1.230 4.000 -11.974 1.00 0.00 C ATOM 0 H THR A 111 3.800 2.025 -11.799 1.00 0.00 H new ATOM 0 HA THR A 111 1.437 0.557 -12.596 1.00 0.00 H new ATOM 0 HB THR A 111 0.798 2.255 -10.832 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.055 2.990 -12.137 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.442 4.608 -11.529 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.163 4.164 -11.435 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.360 4.282 -13.019 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 49H A 200 -1.365 13.277 -12.433 1.00 0.00 N HETATM 1443 CG1 49H A 200 1.780 13.458 -11.292 1.00 0.00 C HETATM 1444 CG2 49H A 200 -0.326 11.383 -11.128 1.00 0.00 C HETATM 1445 CG3 49H A 200 -1.159 15.002 -14.111 1.00 0.00 C HETATM 1446 CD1 49H A 200 2.314 13.657 -12.572 1.00 0.00 C HETATM 1447 CD2 49H A 200 2.570 12.843 -10.317 1.00 0.00 C HETATM 1448 CD3 49H A 200 0.317 10.806 -12.226 1.00 0.00 C HETATM 1449 CD4 49H A 200 -0.615 10.590 -10.013 1.00 0.00 C HETATM 1450 CD5 49H A 200 -2.168 14.420 -14.894 1.00 0.00 C HETATM 1451 CD6 49H A 200 -0.395 16.036 -14.682 1.00 0.00 C HETATM 1452 CE1 49H A 200 3.615 13.253 -12.867 1.00 0.00 C HETATM 1453 CE2 49H A 200 3.867 12.432 -10.614 1.00 0.00 C HETATM 1454 CE3 49H A 200 0.677 9.461 -12.203 1.00 0.00 C HETATM 1455 CE4 49H A 200 -0.269 9.240 -9.998 1.00 0.00 C HETATM 1456 CE5 49H A 200 -2.457 14.890 -16.171 1.00 0.00 C HETATM 1457 CE6 49H A 200 -0.705 16.512 -15.960 1.00 0.00 C HETATM 1458 CZ1 49H A 200 4.391 12.644 -11.886 1.00 0.00 C HETATM 1459 CZ2 49H A 200 0.382 8.674 -11.093 1.00 0.00 C HETATM 1460 CZ3 49H A 200 -1.734 15.951 -16.702 1.00 0.00 C HETATM 1461 CL1 49H A 200 6.006 12.152 -12.252 1.00 0.00 CL HETATM 1462 CL2 49H A 200 1.484 8.769 -13.562 1.00 0.00 CL HETATM 1463 CM1 49H A 200 -3.124 16.073 -18.760 1.00 0.00 C HETATM 1464 CM2 49H A 200 2.589 16.233 -15.576 1.00 0.00 C HETATM 1465 CM3 49H A 200 2.763 17.661 -13.492 1.00 0.00 C HETATM 1466 C1 49H A 200 -1.533 19.739 -11.745 1.00 0.00 C HETATM 1467 N1 49H A 200 -2.548 19.352 -12.535 1.00 0.00 N HETATM 1468 O1 49H A 200 -1.384 20.928 -11.541 1.00 0.00 O HETATM 1469 C2 49H A 200 -2.917 17.951 -12.780 1.00 0.00 C HETATM 1470 N2 49H A 200 -0.894 17.246 -11.502 1.00 0.00 N HETATM 1471 C3 49H A 200 -2.342 17.012 -11.705 1.00 0.00 C HETATM 1472 N3 49H A 200 -0.119 15.033 -11.739 1.00 0.00 N HETATM 1473 O3 49H A 200 -1.983 16.466 -17.959 1.00 0.00 O HETATM 1474 C4 49H A 200 -0.613 18.669 -11.154 1.00 0.00 C HETATM 1475 C5 49H A 200 0.051 16.289 -11.269 1.00 0.00 C HETATM 1476 O5 49H A 200 1.033 16.566 -10.602 1.00 0.00 O HETATM 1477 C6 49H A 200 -0.952 14.450 -12.731 1.00 0.00 C HETATM 1478 O6 49H A 200 0.712 16.531 -14.018 1.00 0.00 O HETATM 1479 C7 49H A 200 -0.757 12.847 -11.149 1.00 0.00 C HETATM 1480 C8 49H A 200 0.360 13.907 -10.926 1.00 0.00 C HETATM 1481 C9 49H A 200 1.841 17.200 -14.634 1.00 0.00 C