USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 MET CE :methyl 177:sc= -0.0764 (180deg=-0.105) USER MOD Set 1.2: A 103 THR OG1 : rot -43:sc= 0.484 USER MOD Set 2.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 106 GLN :FLIP amide:sc= -0.797 F(o=-4.8!,f=-0.8) USER MOD Set 3.1: A 66 THR OG1 : rot -77:sc= 1.28 USER MOD Set 3.2: A 68 MET CE :methyl -117:sc= -0.0806 (180deg=-0.0219) USER MOD Set 4.1: A 43 MET CE :methyl -155:sc= -0.339 (180deg=-2.06) USER MOD Set 4.2: A 110 TYR OH : rot -6:sc= 0.0502 USER MOD Set 5.1: A 9 HIS : no HD1:sc= -0.0191 X(o=-0.038,f=-0.29) USER MOD Set 5.2: A 10 HIS : no HD1:sc= -0.0185 X(o=-0.038,f=-0.48) USER MOD Set 6.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 6 GLN : amide:sc= -1.01 K(o=-1,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00851 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.523 K(o=0.52,f=-2.7!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.128 USER MOD Single : A 18 ASN : amide:sc= -0.0965 X(o=-0.096,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 43:sc= 0.0242 USER MOD Single : A 24 SER OG : rot 150:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00145 X(o=-0.0014,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -105:sc= -0.65 (180deg=-2.78!) USER MOD Single : A 38 MET CE :methyl 164:sc= -0.13 (180deg=-0.382) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.61 K(o=1.6,f=-4.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0767 K(o=-0.077,f=-2.3) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -106:sc= -0.989 (180deg=-1.42) USER MOD Single : A 69 MET CE :methyl 173:sc= -0.793 (180deg=-1.05) USER MOD Single : A 72 ASN : amide:sc= -0.206 K(o=-0.21,f=-8.9!) USER MOD Single : A 74 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.4) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.94) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00638 X(o=-0.0064,f=-0.0064) USER MOD Single : A 98 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.14) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00928) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.694 2.286 -7.787 1.00 0.00 N ATOM 2 CA MET A 1 16.030 1.271 -6.987 1.00 0.00 C ATOM 3 C MET A 1 15.542 1.858 -5.656 1.00 0.00 C ATOM 4 O MET A 1 16.228 2.646 -5.003 1.00 0.00 O ATOM 5 CB MET A 1 16.990 0.096 -6.741 1.00 0.00 C ATOM 6 CG MET A 1 16.310 -1.104 -6.057 1.00 0.00 C ATOM 7 SD MET A 1 16.220 -2.626 -7.035 1.00 0.00 S ATOM 8 CE MET A 1 14.948 -2.168 -8.240 1.00 0.00 C ATOM 0 H1 MET A 1 17.556 1.886 -8.209 1.00 0.00 H new ATOM 0 H2 MET A 1 16.055 2.606 -8.542 1.00 0.00 H new ATOM 0 H3 MET A 1 16.947 3.094 -7.183 1.00 0.00 H new ATOM 0 HA MET A 1 15.158 0.909 -7.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.412 -0.227 -7.693 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.821 0.436 -6.123 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.844 -1.321 -5.132 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.297 -0.813 -5.779 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.774 -3.002 -8.920 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.022 -1.926 -7.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.281 -1.300 -8.809 1.00 0.00 H new ATOM 18 N VAL A 2 14.353 1.432 -5.244 1.00 0.00 N ATOM 19 CA VAL A 2 13.801 1.561 -3.907 1.00 0.00 C ATOM 20 C VAL A 2 14.738 0.906 -2.869 1.00 0.00 C ATOM 21 O VAL A 2 15.414 -0.078 -3.190 1.00 0.00 O ATOM 22 CB VAL A 2 12.397 0.920 -3.966 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.426 -0.604 -4.166 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.541 1.314 -2.761 1.00 0.00 C ATOM 0 H VAL A 2 13.711 0.957 -5.878 1.00 0.00 H new ATOM 0 HA VAL A 2 13.714 2.599 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 2 11.924 1.329 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.406 -0.986 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.931 -0.838 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.962 -1.069 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.562 0.842 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.029 0.984 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.421 2.397 -2.738 1.00 0.00 H new ATOM 34 N THR A 3 14.744 1.366 -1.612 1.00 0.00 N ATOM 35 CA THR A 3 15.547 0.753 -0.556 1.00 0.00 C ATOM 36 C THR A 3 14.676 0.435 0.670 1.00 0.00 C ATOM 37 O THR A 3 13.590 0.993 0.811 1.00 0.00 O ATOM 38 CB THR A 3 16.742 1.667 -0.224 1.00 0.00 C ATOM 39 OG1 THR A 3 16.327 2.842 0.442 1.00 0.00 O ATOM 40 CG2 THR A 3 17.577 2.034 -1.457 1.00 0.00 C ATOM 0 H THR A 3 14.195 2.168 -1.303 1.00 0.00 H new ATOM 0 HA THR A 3 15.950 -0.200 -0.899 1.00 0.00 H new ATOM 0 HB THR A 3 17.380 1.086 0.442 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.108 3.399 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.403 2.679 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.972 1.126 -1.912 1.00 0.00 H new ATOM 0 HG23 THR A 3 16.950 2.558 -2.178 1.00 0.00 H new ATOM 48 N PRO A 4 15.121 -0.437 1.593 1.00 0.00 N ATOM 49 CA PRO A 4 14.392 -0.707 2.835 1.00 0.00 C ATOM 50 C PRO A 4 14.340 0.510 3.761 1.00 0.00 C ATOM 51 O PRO A 4 13.335 0.778 4.425 1.00 0.00 O ATOM 52 CB PRO A 4 15.154 -1.852 3.504 1.00 0.00 C ATOM 53 CG PRO A 4 16.528 -1.877 2.853 1.00 0.00 C ATOM 54 CD PRO A 4 16.284 -1.304 1.465 1.00 0.00 C ATOM 0 HA PRO A 4 13.352 -0.957 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.234 -1.692 4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.637 -2.801 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.246 -1.278 3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.928 -2.890 2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.152 -0.745 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.102 -2.098 0.741 1.00 0.00 H new ATOM 62 N GLU A 5 15.464 1.213 3.860 1.00 0.00 N ATOM 63 CA GLU A 5 15.638 2.358 4.745 1.00 0.00 C ATOM 64 C GLU A 5 14.596 3.441 4.453 1.00 0.00 C ATOM 65 O GLU A 5 13.909 3.890 5.367 1.00 0.00 O ATOM 66 CB GLU A 5 17.060 2.910 4.641 1.00 0.00 C ATOM 67 CG GLU A 5 17.951 2.593 5.852 1.00 0.00 C ATOM 68 CD GLU A 5 19.136 3.561 5.953 1.00 0.00 C ATOM 69 OE1 GLU A 5 18.916 4.722 6.376 1.00 0.00 O ATOM 70 OE2 GLU A 5 20.269 3.196 5.562 1.00 0.00 O ATOM 0 H GLU A 5 16.298 0.997 3.314 1.00 0.00 H new ATOM 0 HA GLU A 5 15.484 2.023 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.529 2.506 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.009 3.992 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.358 2.648 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.322 1.571 5.774 1.00 0.00 H new ATOM 77 N GLN A 6 14.439 3.828 3.182 1.00 0.00 N ATOM 78 CA GLN A 6 13.632 4.972 2.755 1.00 0.00 C ATOM 79 C GLN A 6 12.110 4.766 2.877 1.00 0.00 C ATOM 80 O GLN A 6 11.330 5.518 2.292 1.00 0.00 O ATOM 81 CB GLN A 6 14.065 5.367 1.337 1.00 0.00 C ATOM 82 CG GLN A 6 13.543 4.482 0.202 1.00 0.00 C ATOM 83 CD GLN A 6 14.112 4.933 -1.136 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.506 4.122 -1.962 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.125 6.223 -1.422 1.00 0.00 N ATOM 0 H GLN A 6 14.882 3.340 2.403 1.00 0.00 H new ATOM 0 HA GLN A 6 13.825 5.793 3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.739 6.390 1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.154 5.367 1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.817 3.444 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.454 4.524 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.797 6.901 -0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.463 6.541 -2.330 1.00 0.00 H new ATOM 94 N LEU A 7 11.681 3.741 3.609 1.00 0.00 N ATOM 95 CA LEU A 7 10.311 3.257 3.697 1.00 0.00 C ATOM 96 C LEU A 7 9.892 3.203 5.153 1.00 0.00 C ATOM 97 O LEU A 7 8.875 3.781 5.521 1.00 0.00 O ATOM 98 CB LEU A 7 10.246 1.848 3.099 1.00 0.00 C ATOM 99 CG LEU A 7 10.538 1.794 1.584 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.507 0.327 1.137 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.497 2.575 0.777 1.00 0.00 C ATOM 0 H LEU A 7 12.319 3.196 4.189 1.00 0.00 H new ATOM 0 HA LEU A 7 9.644 3.924 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.961 1.210 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.255 1.432 3.283 1.00 0.00 H new ATOM 0 HG LEU A 7 11.514 2.245 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.711 0.268 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.264 -0.236 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.523 -0.095 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.738 2.513 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.508 2.150 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.503 3.619 1.090 1.00 0.00 H new ATOM 113 N GLN A 8 10.703 2.537 5.979 1.00 0.00 N ATOM 114 CA GLN A 8 10.507 2.265 7.397 1.00 0.00 C ATOM 115 C GLN A 8 10.018 3.438 8.265 1.00 0.00 C ATOM 116 O GLN A 8 9.449 3.193 9.330 1.00 0.00 O ATOM 117 CB GLN A 8 11.848 1.710 7.911 1.00 0.00 C ATOM 118 CG GLN A 8 11.803 0.179 7.949 1.00 0.00 C ATOM 119 CD GLN A 8 13.160 -0.504 7.982 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.413 -1.385 8.805 1.00 0.00 O ATOM 121 NE2 GLN A 8 14.014 -0.221 7.012 1.00 0.00 N ATOM 0 H GLN A 8 11.582 2.145 5.642 1.00 0.00 H new ATOM 0 HA GLN A 8 9.682 1.559 7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.660 2.042 7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.054 2.101 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.236 -0.131 8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.256 -0.175 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.794 0.511 6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.892 -0.734 6.940 1.00 0.00 H new ATOM 130 N HIS A 9 10.193 4.680 7.825 1.00 0.00 N ATOM 131 CA HIS A 9 9.728 5.872 8.540 1.00 0.00 C ATOM 132 C HIS A 9 9.115 6.934 7.614 1.00 0.00 C ATOM 133 O HIS A 9 9.029 8.101 8.001 1.00 0.00 O ATOM 134 CB HIS A 9 10.865 6.430 9.409 1.00 0.00 C ATOM 135 CG HIS A 9 12.014 7.009 8.627 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.035 8.270 8.080 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.210 6.403 8.348 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.233 8.443 7.509 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.983 7.331 7.633 1.00 0.00 N ATOM 0 H HIS A 9 10.669 4.894 6.949 1.00 0.00 H new ATOM 0 HA HIS A 9 8.908 5.572 9.193 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.461 7.202 10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.242 5.633 10.050 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.503 5.401 8.625 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.554 9.349 7.017 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.928 7.191 7.277 1.00 0.00 H new ATOM 147 N HIS A 10 8.701 6.568 6.398 1.00 0.00 N ATOM 148 CA HIS A 10 8.089 7.476 5.435 1.00 0.00 C ATOM 149 C HIS A 10 6.671 6.981 5.136 1.00 0.00 C ATOM 150 O HIS A 10 6.497 5.873 4.627 1.00 0.00 O ATOM 151 CB HIS A 10 8.939 7.541 4.158 1.00 0.00 C ATOM 152 CG HIS A 10 10.279 8.239 4.283 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.548 9.557 3.969 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.476 7.638 4.574 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.881 9.729 4.025 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.489 8.589 4.390 1.00 0.00 N ATOM 0 H HIS A 10 8.785 5.612 6.052 1.00 0.00 H new ATOM 0 HA HIS A 10 8.036 8.485 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.114 6.523 3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.360 8.047 3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.614 6.614 4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.391 10.655 3.807 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.491 8.444 4.510 1.00 0.00 H new ATOM 164 N ARG A 11 5.650 7.788 5.438 1.00 0.00 N ATOM 165 CA ARG A 11 4.257 7.465 5.121 1.00 0.00 C ATOM 166 C ARG A 11 4.040 7.655 3.625 1.00 0.00 C ATOM 167 O ARG A 11 4.483 8.648 3.047 1.00 0.00 O ATOM 168 CB ARG A 11 3.306 8.340 5.968 1.00 0.00 C ATOM 169 CG ARG A 11 1.822 8.380 5.523 1.00 0.00 C ATOM 170 CD ARG A 11 1.250 9.801 5.342 1.00 0.00 C ATOM 171 NE ARG A 11 0.102 10.082 6.217 1.00 0.00 N ATOM 172 CZ ARG A 11 -1.079 9.461 6.220 1.00 0.00 C ATOM 173 NH1 ARG A 11 -1.337 8.514 5.337 1.00 0.00 N ATOM 174 NH2 ARG A 11 -2.019 9.742 7.109 1.00 0.00 N ATOM 0 H ARG A 11 5.767 8.685 5.910 1.00 0.00 H new ATOM 0 HA ARG A 11 4.037 6.427 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.344 7.986 6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.690 9.360 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.723 7.839 4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.220 7.850 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.036 10.530 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.947 9.934 4.303 1.00 0.00 H new ATOM 0 HE ARG A 11 0.222 10.834 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.632 8.254 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.242 8.043 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.851 10.453 7.821 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.911 9.248 7.082 1.00 0.00 H new ATOM 188 N PHE A 12 3.264 6.750 3.035 1.00 0.00 N ATOM 189 CA PHE A 12 2.661 6.909 1.730 1.00 0.00 C ATOM 190 C PHE A 12 1.156 6.801 1.872 1.00 0.00 C ATOM 191 O PHE A 12 0.573 6.361 2.867 1.00 0.00 O ATOM 192 CB PHE A 12 3.227 5.871 0.733 1.00 0.00 C ATOM 193 CG PHE A 12 4.710 5.932 0.405 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.696 5.740 1.396 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.111 6.055 -0.936 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.062 5.787 1.070 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.474 6.022 -1.265 1.00 0.00 C ATOM 198 CZ PHE A 12 7.453 5.948 -0.267 1.00 0.00 C ATOM 0 H PHE A 12 3.035 5.858 3.473 1.00 0.00 H new ATOM 0 HA PHE A 12 2.903 7.892 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.013 4.878 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.674 5.969 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.397 5.555 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.370 6.175 -1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.808 5.699 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.772 6.054 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.500 6.014 -0.524 1.00 0.00 H new ATOM 208 N VAL A 13 0.547 7.299 0.824 1.00 0.00 N ATOM 209 CA VAL A 13 -0.858 7.420 0.538 1.00 0.00 C ATOM 210 C VAL A 13 -1.049 7.013 -0.910 1.00 0.00 C ATOM 211 O VAL A 13 -0.173 7.279 -1.745 1.00 0.00 O ATOM 212 CB VAL A 13 -1.315 8.872 0.697 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.944 9.159 2.053 1.00 0.00 C ATOM 214 CG2 VAL A 13 -0.196 9.874 0.462 1.00 0.00 C ATOM 0 H VAL A 13 1.099 7.677 0.054 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.435 6.796 1.220 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.074 8.995 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.246 10.205 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.818 8.523 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.219 8.955 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.581 10.886 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.606 9.698 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.190 9.757 -0.550 1.00 0.00 H new ATOM 224 N LEU A 14 -2.181 6.388 -1.222 1.00 0.00 N ATOM 225 CA LEU A 14 -2.594 6.213 -2.599 1.00 0.00 C ATOM 226 C LEU A 14 -2.969 7.577 -3.110 1.00 0.00 C ATOM 227 O LEU A 14 -3.564 8.373 -2.379 1.00 0.00 O ATOM 228 CB LEU A 14 -3.769 5.233 -2.698 1.00 0.00 C ATOM 229 CG LEU A 14 -3.685 4.403 -3.985 1.00 0.00 C ATOM 230 CD1 LEU A 14 -4.358 3.046 -3.757 1.00 0.00 C ATOM 231 CD2 LEU A 14 -4.324 5.045 -5.201 1.00 0.00 C ATOM 0 H LEU A 14 -2.825 5.996 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.791 5.786 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.768 4.570 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.709 5.784 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.621 4.312 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.300 2.453 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.850 2.519 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.403 3.199 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.214 4.384 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.383 5.216 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.835 5.996 -5.410 1.00 0.00 H new ATOM 243 N GLU A 15 -2.608 7.838 -4.359 1.00 0.00 N ATOM 244 CA GLU A 15 -2.962 9.083 -4.990 1.00 0.00 C ATOM 245 C GLU A 15 -3.863 8.792 -6.181 1.00 0.00 C ATOM 246 O GLU A 15 -5.007 9.255 -6.231 1.00 0.00 O ATOM 247 CB GLU A 15 -1.673 9.850 -5.319 1.00 0.00 C ATOM 248 CG GLU A 15 -1.843 11.371 -5.273 1.00 0.00 C ATOM 249 CD GLU A 15 -2.036 12.032 -6.642 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.919 11.608 -7.425 1.00 0.00 O ATOM 251 OE2 GLU A 15 -1.295 13.005 -6.909 1.00 0.00 O ATOM 0 H GLU A 15 -2.071 7.200 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.540 9.735 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.895 9.557 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.330 9.560 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.701 11.609 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.967 11.807 -4.794 1.00 0.00 H new ATOM 258 N SER A 16 -3.388 7.951 -7.099 1.00 0.00 N ATOM 259 CA SER A 16 -4.067 7.683 -8.348 1.00 0.00 C ATOM 260 C SER A 16 -4.109 6.170 -8.604 1.00 0.00 C ATOM 261 O SER A 16 -3.084 5.493 -8.737 1.00 0.00 O ATOM 262 CB SER A 16 -3.441 8.570 -9.433 1.00 0.00 C ATOM 263 OG SER A 16 -2.037 8.414 -9.552 1.00 0.00 O ATOM 0 H SER A 16 -2.514 7.437 -6.988 1.00 0.00 H new ATOM 0 HA SER A 16 -5.121 7.959 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.906 8.341 -10.392 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.665 9.614 -9.212 1.00 0.00 H new ATOM 0 HG SER A 16 -1.701 9.003 -10.259 1.00 0.00 H new ATOM 269 N VAL A 17 -5.316 5.605 -8.571 1.00 0.00 N ATOM 270 CA VAL A 17 -5.595 4.191 -8.792 1.00 0.00 C ATOM 271 C VAL A 17 -5.449 3.917 -10.297 1.00 0.00 C ATOM 272 O VAL A 17 -5.607 4.830 -11.110 1.00 0.00 O ATOM 273 CB VAL A 17 -7.034 3.871 -8.297 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.260 2.371 -8.092 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.422 4.530 -6.959 1.00 0.00 C ATOM 0 H VAL A 17 -6.160 6.145 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.902 3.556 -8.240 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.651 4.277 -9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.280 2.201 -7.746 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.104 1.847 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.557 1.995 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.442 4.248 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.741 4.195 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.358 5.614 -7.055 1.00 0.00 H new ATOM 285 N ASN A 18 -5.255 2.651 -10.679 1.00 0.00 N ATOM 286 CA ASN A 18 -5.201 2.178 -12.066 1.00 0.00 C ATOM 287 C ASN A 18 -6.305 2.755 -12.959 1.00 0.00 C ATOM 288 O ASN A 18 -6.060 3.020 -14.132 1.00 0.00 O ATOM 289 CB ASN A 18 -5.221 0.634 -12.063 1.00 0.00 C ATOM 290 CG ASN A 18 -5.898 -0.006 -13.265 1.00 0.00 C ATOM 291 OD1 ASN A 18 -5.237 -0.438 -14.203 1.00 0.00 O ATOM 292 ND2 ASN A 18 -7.208 -0.152 -13.226 1.00 0.00 N ATOM 0 H ASN A 18 -5.126 1.898 -10.004 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.272 2.541 -12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.194 0.273 -12.010 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.726 0.295 -11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.690 -0.632 -13.986 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.739 0.215 -12.436 1.00 0.00 H new ATOM 299 N GLY A 19 -7.505 2.951 -12.414 1.00 0.00 N ATOM 300 CA GLY A 19 -8.675 3.362 -13.176 1.00 0.00 C ATOM 301 C GLY A 19 -9.124 4.806 -12.959 1.00 0.00 C ATOM 302 O GLY A 19 -10.052 5.211 -13.658 1.00 0.00 O ATOM 0 H GLY A 19 -7.690 2.826 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.465 3.220 -14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.503 2.700 -12.923 1.00 0.00 H new ATOM 306 N LYS A 20 -8.571 5.554 -11.988 1.00 0.00 N ATOM 307 CA LYS A 20 -8.899 6.963 -11.697 1.00 0.00 C ATOM 308 C LYS A 20 -8.181 7.477 -10.440 1.00 0.00 C ATOM 309 O LYS A 20 -7.734 6.664 -9.630 1.00 0.00 O ATOM 310 CB LYS A 20 -10.404 7.211 -11.552 1.00 0.00 C ATOM 311 CG LYS A 20 -11.106 6.284 -10.576 1.00 0.00 C ATOM 312 CD LYS A 20 -12.497 6.832 -10.276 1.00 0.00 C ATOM 313 CE LYS A 20 -13.335 6.943 -11.553 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.775 7.063 -11.272 1.00 0.00 N ATOM 0 H LYS A 20 -7.858 5.182 -11.361 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.544 7.519 -12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.560 8.241 -11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.872 7.108 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.180 5.281 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.528 6.201 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.001 6.181 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.411 7.812 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.006 7.810 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.161 6.065 -12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.299 7.135 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.098 6.224 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.947 7.915 -10.701 1.00 0.00 H new ATOM 328 N PRO A 21 -8.138 8.803 -10.219 1.00 0.00 N ATOM 329 CA PRO A 21 -7.795 9.389 -8.927 1.00 0.00 C ATOM 330 C PRO A 21 -8.798 8.993 -7.836 1.00 0.00 C ATOM 331 O PRO A 21 -9.834 8.375 -8.109 1.00 0.00 O ATOM 332 CB PRO A 21 -7.778 10.905 -9.157 1.00 0.00 C ATOM 333 CG PRO A 21 -8.696 11.109 -10.359 1.00 0.00 C ATOM 334 CD PRO A 21 -8.459 9.850 -11.178 1.00 0.00 C ATOM 0 HA PRO A 21 -6.830 9.027 -8.571 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.140 11.445 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.770 11.266 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.739 11.207 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.439 12.009 -10.917 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.344 9.590 -11.758 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.644 9.993 -11.887 1.00 0.00 H new ATOM 342 N VAL A 22 -8.494 9.375 -6.592 1.00 0.00 N ATOM 343 CA VAL A 22 -9.457 9.292 -5.497 1.00 0.00 C ATOM 344 C VAL A 22 -9.268 10.454 -4.507 1.00 0.00 C ATOM 345 O VAL A 22 -8.157 10.945 -4.289 1.00 0.00 O ATOM 346 CB VAL A 22 -9.373 7.884 -4.854 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.055 7.628 -4.103 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.578 7.605 -3.944 1.00 0.00 C ATOM 0 H VAL A 22 -7.583 9.746 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.474 9.409 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.395 7.183 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.067 6.624 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.218 7.720 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.945 8.359 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.484 6.609 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.610 8.346 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.496 7.662 -4.529 1.00 0.00 H new ATOM 358 N THR A 23 -10.354 10.857 -3.849 1.00 0.00 N ATOM 359 CA THR A 23 -10.398 11.825 -2.767 1.00 0.00 C ATOM 360 C THR A 23 -10.864 11.085 -1.512 1.00 0.00 C ATOM 361 O THR A 23 -12.036 10.724 -1.390 1.00 0.00 O ATOM 362 CB THR A 23 -11.297 13.017 -3.150 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.531 12.613 -3.727 1.00 0.00 O ATOM 364 CG2 THR A 23 -10.583 13.946 -4.135 1.00 0.00 C ATOM 0 H THR A 23 -11.279 10.491 -4.075 1.00 0.00 H new ATOM 0 HA THR A 23 -9.417 12.256 -2.569 1.00 0.00 H new ATOM 0 HB THR A 23 -11.508 13.541 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.897 11.857 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.238 14.779 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.670 14.329 -3.678 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.331 13.393 -5.040 1.00 0.00 H new ATOM 372 N SER A 24 -9.951 10.782 -0.590 1.00 0.00 N ATOM 373 CA SER A 24 -10.252 10.062 0.644 1.00 0.00 C ATOM 374 C SER A 24 -9.692 10.895 1.790 1.00 0.00 C ATOM 375 O SER A 24 -8.617 10.608 2.311 1.00 0.00 O ATOM 376 CB SER A 24 -9.677 8.641 0.587 1.00 0.00 C ATOM 377 OG SER A 24 -10.066 7.978 -0.606 1.00 0.00 O ATOM 0 H SER A 24 -8.967 11.034 -0.682 1.00 0.00 H new ATOM 0 HA SER A 24 -11.324 9.934 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.589 8.683 0.645 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.020 8.072 1.451 1.00 0.00 H new ATOM 0 HG SER A 24 -9.371 7.338 -0.866 1.00 0.00 H new ATOM 383 N ASP A 25 -10.386 11.981 2.124 1.00 0.00 N ATOM 384 CA ASP A 25 -9.899 13.012 3.048 1.00 0.00 C ATOM 385 C ASP A 25 -10.109 12.611 4.514 1.00 0.00 C ATOM 386 O ASP A 25 -10.054 13.450 5.421 1.00 0.00 O ATOM 387 CB ASP A 25 -10.557 14.366 2.720 1.00 0.00 C ATOM 388 CG ASP A 25 -10.065 14.994 1.412 1.00 0.00 C ATOM 389 OD1 ASP A 25 -8.983 14.618 0.909 1.00 0.00 O ATOM 390 OD2 ASP A 25 -10.782 15.867 0.878 1.00 0.00 O ATOM 0 H ASP A 25 -11.317 12.176 1.756 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.822 13.114 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.637 14.230 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.366 15.060 3.539 1.00 0.00 H new ATOM 395 N LYS A 26 -10.403 11.336 4.770 1.00 0.00 N ATOM 396 CA LYS A 26 -10.635 10.766 6.083 1.00 0.00 C ATOM 397 C LYS A 26 -10.160 9.321 6.000 1.00 0.00 C ATOM 398 O LYS A 26 -10.700 8.557 5.200 1.00 0.00 O ATOM 399 CB LYS A 26 -12.130 10.888 6.408 1.00 0.00 C ATOM 400 CG LYS A 26 -12.378 10.816 7.915 1.00 0.00 C ATOM 401 CD LYS A 26 -13.849 11.093 8.232 1.00 0.00 C ATOM 402 CE LYS A 26 -14.750 9.937 7.790 1.00 0.00 C ATOM 403 NZ LYS A 26 -16.150 10.152 8.203 1.00 0.00 N ATOM 0 H LYS A 26 -10.488 10.644 4.025 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.098 11.275 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.513 11.831 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.679 10.090 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.099 9.831 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.747 11.542 8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.966 11.257 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.162 12.010 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.702 9.831 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.383 9.004 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.732 9.350 7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.198 10.228 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.508 11.029 7.774 1.00 0.00 H new ATOM 417 N ASN A 27 -9.112 8.982 6.750 1.00 0.00 N ATOM 418 CA ASN A 27 -8.380 7.720 6.743 1.00 0.00 C ATOM 419 C ASN A 27 -8.137 7.264 5.286 1.00 0.00 C ATOM 420 O ASN A 27 -8.844 6.377 4.810 1.00 0.00 O ATOM 421 CB ASN A 27 -9.042 6.619 7.612 1.00 0.00 C ATOM 422 CG ASN A 27 -10.134 7.026 8.591 1.00 0.00 C ATOM 423 OD1 ASN A 27 -9.924 7.145 9.796 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.354 7.158 8.091 1.00 0.00 N ATOM 0 H ASN A 27 -8.724 9.635 7.431 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.414 7.895 7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.462 5.873 6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.253 6.127 8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.139 7.362 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.508 7.056 7.088 1.00 0.00 H new ATOM 431 N PRO A 28 -7.224 7.878 4.512 1.00 0.00 N ATOM 432 CA PRO A 28 -7.046 7.509 3.105 1.00 0.00 C ATOM 433 C PRO A 28 -6.647 6.033 2.943 1.00 0.00 C ATOM 434 O PRO A 28 -6.163 5.439 3.910 1.00 0.00 O ATOM 435 CB PRO A 28 -5.964 8.443 2.551 1.00 0.00 C ATOM 436 CG PRO A 28 -5.335 9.121 3.770 1.00 0.00 C ATOM 437 CD PRO A 28 -6.356 8.974 4.895 1.00 0.00 C ATOM 0 HA PRO A 28 -7.982 7.619 2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.218 7.885 1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.393 9.180 1.872 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.389 8.650 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.123 10.171 3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.862 8.766 5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.925 9.894 5.027 1.00 0.00 H new ATOM 445 N PRO A 29 -6.748 5.446 1.728 1.00 0.00 N ATOM 446 CA PRO A 29 -6.030 4.224 1.412 1.00 0.00 C ATOM 447 C PRO A 29 -4.546 4.551 1.479 1.00 0.00 C ATOM 448 O PRO A 29 -3.963 5.091 0.544 1.00 0.00 O ATOM 449 CB PRO A 29 -6.508 3.754 0.041 1.00 0.00 C ATOM 450 CG PRO A 29 -6.930 5.059 -0.626 1.00 0.00 C ATOM 451 CD PRO A 29 -7.390 5.952 0.520 1.00 0.00 C ATOM 0 HA PRO A 29 -6.214 3.406 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.716 3.252 -0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.338 3.051 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.101 5.511 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.732 4.894 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.110 6.990 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.475 5.927 0.619 1.00 0.00 H new ATOM 459 N GLU A 30 -3.967 4.325 2.643 1.00 0.00 N ATOM 460 CA GLU A 30 -2.645 4.783 3.006 1.00 0.00 C ATOM 461 C GLU A 30 -1.811 3.562 3.405 1.00 0.00 C ATOM 462 O GLU A 30 -2.367 2.517 3.764 1.00 0.00 O ATOM 463 CB GLU A 30 -2.798 5.857 4.089 1.00 0.00 C ATOM 464 CG GLU A 30 -2.954 5.282 5.502 1.00 0.00 C ATOM 465 CD GLU A 30 -3.587 6.207 6.559 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.611 7.452 6.400 1.00 0.00 O ATOM 467 OE2 GLU A 30 -4.032 5.685 7.609 1.00 0.00 O ATOM 0 H GLU A 30 -4.424 3.798 3.387 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.106 5.257 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.927 6.512 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.667 6.474 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.558 4.377 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.968 4.982 5.858 1.00 0.00 H new ATOM 474 N ILE A 31 -0.484 3.676 3.337 1.00 0.00 N ATOM 475 CA ILE A 31 0.445 2.622 3.708 1.00 0.00 C ATOM 476 C ILE A 31 1.662 3.268 4.366 1.00 0.00 C ATOM 477 O ILE A 31 2.421 4.009 3.736 1.00 0.00 O ATOM 478 CB ILE A 31 0.732 1.675 2.514 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.361 0.367 3.029 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.563 2.260 1.351 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.417 -0.719 1.950 1.00 0.00 C ATOM 0 H ILE A 31 -0.020 4.525 3.014 1.00 0.00 H new ATOM 0 HA ILE A 31 0.016 1.950 4.451 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.244 1.495 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.370 0.569 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.786 0.001 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.694 1.501 0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.043 3.120 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.539 2.573 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.869 -1.620 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.407 -0.944 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.015 -0.367 1.110 1.00 0.00 H new ATOM 493 N SER A 32 1.785 3.057 5.671 1.00 0.00 N ATOM 494 CA SER A 32 3.037 3.204 6.378 1.00 0.00 C ATOM 495 C SER A 32 3.762 1.856 6.308 1.00 0.00 C ATOM 496 O SER A 32 3.228 0.827 5.878 1.00 0.00 O ATOM 497 CB SER A 32 2.771 3.660 7.822 1.00 0.00 C ATOM 498 OG SER A 32 3.985 3.962 8.487 1.00 0.00 O ATOM 0 H SER A 32 1.007 2.777 6.268 1.00 0.00 H new ATOM 0 HA SER A 32 3.669 3.969 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.126 4.538 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.240 2.877 8.363 1.00 0.00 H new ATOM 0 HG SER A 32 3.793 4.251 9.403 1.00 0.00 H new ATOM 504 N PHE A 33 5.002 1.874 6.763 1.00 0.00 N ATOM 505 CA PHE A 33 5.880 0.734 6.843 1.00 0.00 C ATOM 506 C PHE A 33 6.527 0.755 8.224 1.00 0.00 C ATOM 507 O PHE A 33 6.082 1.482 9.117 1.00 0.00 O ATOM 508 CB PHE A 33 6.866 0.799 5.677 1.00 0.00 C ATOM 509 CG PHE A 33 6.231 0.574 4.312 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.995 -0.736 3.852 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.828 1.666 3.518 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.428 -0.960 2.589 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.216 1.439 2.271 1.00 0.00 C ATOM 514 CZ PHE A 33 5.043 0.126 1.791 1.00 0.00 C ATOM 0 H PHE A 33 5.440 2.730 7.102 1.00 0.00 H new ATOM 0 HA PHE A 33 5.362 -0.220 6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.354 1.773 5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.644 0.052 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.253 -1.577 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.988 2.676 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.288 -1.969 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.877 2.276 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.616 -0.043 0.813 1.00 0.00 H new ATOM 524 N GLY A 34 7.526 -0.085 8.458 1.00 0.00 N ATOM 525 CA GLY A 34 8.308 -0.026 9.671 1.00 0.00 C ATOM 526 C GLY A 34 9.211 -1.234 9.750 1.00 0.00 C ATOM 527 O GLY A 34 9.510 -1.857 8.731 1.00 0.00 O ATOM 0 H GLY A 34 7.811 -0.821 7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.903 0.887 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.650 0.006 10.539 1.00 0.00 H new ATOM 531 N GLU A 35 9.721 -1.481 10.952 1.00 0.00 N ATOM 532 CA GLU A 35 10.872 -2.336 11.192 1.00 0.00 C ATOM 533 C GLU A 35 10.676 -3.743 10.614 1.00 0.00 C ATOM 534 O GLU A 35 9.548 -4.194 10.415 1.00 0.00 O ATOM 535 CB GLU A 35 11.121 -2.398 12.701 1.00 0.00 C ATOM 536 CG GLU A 35 12.613 -2.340 13.025 1.00 0.00 C ATOM 537 CD GLU A 35 12.909 -3.005 14.367 1.00 0.00 C ATOM 538 OE1 GLU A 35 12.181 -2.792 15.364 1.00 0.00 O ATOM 539 OE2 GLU A 35 13.830 -3.845 14.426 1.00 0.00 O ATOM 0 H GLU A 35 9.333 -1.081 11.806 1.00 0.00 H new ATOM 0 HA GLU A 35 11.738 -1.913 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.609 -1.569 13.190 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.696 -3.317 13.104 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.179 -2.836 12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.943 -1.301 13.049 1.00 0.00 H new ATOM 546 N LYS A 36 11.778 -4.450 10.347 1.00 0.00 N ATOM 547 CA LYS A 36 11.790 -5.704 9.584 1.00 0.00 C ATOM 548 C LYS A 36 11.088 -5.588 8.222 1.00 0.00 C ATOM 549 O LYS A 36 10.706 -6.613 7.657 1.00 0.00 O ATOM 550 CB LYS A 36 11.240 -6.884 10.410 1.00 0.00 C ATOM 551 CG LYS A 36 11.885 -7.038 11.797 1.00 0.00 C ATOM 552 CD LYS A 36 11.841 -8.495 12.278 1.00 0.00 C ATOM 553 CE LYS A 36 10.420 -9.042 12.458 1.00 0.00 C ATOM 554 NZ LYS A 36 10.419 -10.501 12.692 1.00 0.00 N ATOM 0 H LYS A 36 12.705 -4.162 10.661 1.00 0.00 H new ATOM 0 HA LYS A 36 12.838 -5.914 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.165 -6.756 10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.388 -7.806 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.920 -6.697 11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.366 -6.401 12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.374 -9.121 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.373 -8.572 13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.941 -8.539 13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.828 -8.816 11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.440 -10.833 12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.854 -10.983 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.962 -10.715 13.553 1.00 0.00 H new ATOM 568 N MET A 37 10.932 -4.374 7.680 1.00 0.00 N ATOM 569 CA MET A 37 10.222 -4.087 6.448 1.00 0.00 C ATOM 570 C MET A 37 8.737 -4.485 6.571 1.00 0.00 C ATOM 571 O MET A 37 8.088 -4.774 5.565 1.00 0.00 O ATOM 572 CB MET A 37 10.949 -4.763 5.263 1.00 0.00 C ATOM 573 CG MET A 37 11.035 -3.919 3.988 1.00 0.00 C ATOM 574 SD MET A 37 9.956 -4.417 2.624 1.00 0.00 S ATOM 575 CE MET A 37 8.714 -3.137 2.688 1.00 0.00 C ATOM 0 H MET A 37 11.317 -3.535 8.114 1.00 0.00 H new ATOM 0 HA MET A 37 10.226 -3.015 6.253 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.960 -5.023 5.577 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.438 -5.697 5.028 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.806 -2.885 4.246 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.066 -3.938 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.798 -3.540 3.121 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.074 -2.312 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.510 -2.777 1.680 1.00 0.00 H new ATOM 585 N MET A 38 8.153 -4.447 7.777 1.00 0.00 N ATOM 586 CA MET A 38 6.721 -4.660 7.969 1.00 0.00 C ATOM 587 C MET A 38 5.890 -3.620 7.215 1.00 0.00 C ATOM 588 O MET A 38 6.362 -2.533 6.873 1.00 0.00 O ATOM 589 CB MET A 38 6.342 -4.615 9.458 1.00 0.00 C ATOM 590 CG MET A 38 5.933 -5.977 10.024 1.00 0.00 C ATOM 591 SD MET A 38 4.590 -5.894 11.242 1.00 0.00 S ATOM 592 CE MET A 38 3.197 -5.351 10.224 1.00 0.00 C ATOM 0 H MET A 38 8.663 -4.268 8.642 1.00 0.00 H new ATOM 0 HA MET A 38 6.500 -5.650 7.570 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.188 -4.232 10.029 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.521 -3.912 9.595 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.625 -6.624 9.202 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.803 -6.443 10.488 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.264 -5.528 10.759 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.296 -4.287 10.010 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.190 -5.910 9.289 1.00 0.00 H new ATOM 602 N ILE A 39 4.615 -3.948 7.026 1.00 0.00 N ATOM 603 CA ILE A 39 3.645 -3.200 6.245 1.00 0.00 C ATOM 604 C ILE A 39 2.474 -2.870 7.173 1.00 0.00 C ATOM 605 O ILE A 39 1.979 -3.772 7.859 1.00 0.00 O ATOM 606 CB ILE A 39 3.166 -4.087 5.072 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.297 -4.667 4.189 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.200 -3.290 4.186 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.835 -5.957 3.501 1.00 0.00 C ATOM 0 H ILE A 39 4.213 -4.790 7.438 1.00 0.00 H new ATOM 0 HA ILE A 39 4.073 -2.283 5.840 1.00 0.00 H new ATOM 0 HB ILE A 39 2.676 -4.943 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.593 -3.934 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.176 -4.869 4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.863 -3.916 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.340 -2.975 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.710 -2.411 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.643 -6.350 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.563 -6.695 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.970 -5.745 2.873 1.00 0.00 H new ATOM 621 N SER A 40 1.979 -1.631 7.144 1.00 0.00 N ATOM 622 CA SER A 40 0.756 -1.229 7.826 1.00 0.00 C ATOM 623 C SER A 40 -0.035 -0.328 6.884 1.00 0.00 C ATOM 624 O SER A 40 0.447 0.749 6.551 1.00 0.00 O ATOM 625 CB SER A 40 1.100 -0.489 9.126 1.00 0.00 C ATOM 626 OG SER A 40 1.839 -1.324 10.001 1.00 0.00 O ATOM 0 H SER A 40 2.428 -0.869 6.636 1.00 0.00 H new ATOM 0 HA SER A 40 0.159 -2.103 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.677 0.407 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.183 -0.161 9.617 1.00 0.00 H new ATOM 0 HG SER A 40 2.049 -0.833 10.822 1.00 0.00 H new ATOM 632 N GLY A 41 -1.217 -0.742 6.422 1.00 0.00 N ATOM 633 CA GLY A 41 -2.027 0.115 5.568 1.00 0.00 C ATOM 634 C GLY A 41 -3.517 -0.090 5.783 1.00 0.00 C ATOM 635 O GLY A 41 -3.931 -0.971 6.542 1.00 0.00 O ATOM 0 H GLY A 41 -1.627 -1.654 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.775 1.158 5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.783 -0.083 4.524 1.00 0.00 H new ATOM 639 N SER A 42 -4.329 0.735 5.119 1.00 0.00 N ATOM 640 CA SER A 42 -5.769 0.793 5.333 1.00 0.00 C ATOM 641 C SER A 42 -6.485 1.220 4.052 1.00 0.00 C ATOM 642 O SER A 42 -7.016 2.323 3.978 1.00 0.00 O ATOM 643 CB SER A 42 -6.025 1.698 6.555 1.00 0.00 C ATOM 644 OG SER A 42 -7.328 1.615 7.095 1.00 0.00 O ATOM 0 H SER A 42 -3.997 1.388 4.409 1.00 0.00 H new ATOM 0 HA SER A 42 -6.189 -0.187 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.308 1.442 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.831 2.732 6.270 1.00 0.00 H new ATOM 0 HG SER A 42 -7.402 2.218 7.864 1.00 0.00 H new ATOM 650 N MET A 43 -6.513 0.333 3.043 1.00 0.00 N ATOM 651 CA MET A 43 -7.267 0.523 1.807 1.00 0.00 C ATOM 652 C MET A 43 -8.724 0.798 2.171 1.00 0.00 C ATOM 653 O MET A 43 -9.209 1.913 1.957 1.00 0.00 O ATOM 654 CB MET A 43 -7.142 -0.673 0.845 1.00 0.00 C ATOM 655 CG MET A 43 -5.708 -1.108 0.539 1.00 0.00 C ATOM 656 SD MET A 43 -4.589 0.118 -0.195 1.00 0.00 S ATOM 657 CE MET A 43 -5.215 0.042 -1.891 1.00 0.00 C ATOM 0 H MET A 43 -6.001 -0.549 3.071 1.00 0.00 H new ATOM 0 HA MET A 43 -6.849 1.374 1.268 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.680 -1.520 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.637 -0.419 -0.092 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.259 -1.457 1.469 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.754 -1.964 -0.134 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.432 0.352 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.518 -0.979 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.073 0.707 -1.992 1.00 0.00 H new ATOM 667 N CYS A 44 -9.381 -0.174 2.808 1.00 0.00 N ATOM 668 CA CYS A 44 -10.650 0.023 3.484 1.00 0.00 C ATOM 669 C CYS A 44 -10.677 -0.741 4.808 1.00 0.00 C ATOM 670 O CYS A 44 -10.995 -0.140 5.835 1.00 0.00 O ATOM 671 CB CYS A 44 -11.778 -0.374 2.533 1.00 0.00 C ATOM 672 SG CYS A 44 -13.443 -0.567 3.228 1.00 0.00 S ATOM 0 H CYS A 44 -9.035 -1.132 2.865 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.789 1.072 3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.830 0.376 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.501 -1.316 2.060 1.00 0.00 H new ATOM 677 N ASN A 45 -10.339 -2.033 4.840 1.00 0.00 N ATOM 678 CA ASN A 45 -10.509 -2.895 6.021 1.00 0.00 C ATOM 679 C ASN A 45 -9.208 -3.167 6.761 1.00 0.00 C ATOM 680 O ASN A 45 -9.150 -4.101 7.561 1.00 0.00 O ATOM 681 CB ASN A 45 -11.232 -4.200 5.654 1.00 0.00 C ATOM 682 CG ASN A 45 -12.720 -3.948 5.536 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.359 -3.623 6.532 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.291 -4.000 4.354 1.00 0.00 N ATOM 0 H ASN A 45 -9.935 -2.519 4.039 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.137 -2.339 6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.844 -4.589 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.042 -4.958 6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.279 -3.768 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.746 -4.272 3.536 1.00 0.00 H new ATOM 691 N ARG A 46 -8.182 -2.342 6.551 1.00 0.00 N ATOM 692 CA ARG A 46 -6.849 -2.478 7.141 1.00 0.00 C ATOM 693 C ARG A 46 -6.149 -3.727 6.627 1.00 0.00 C ATOM 694 O ARG A 46 -6.770 -4.710 6.242 1.00 0.00 O ATOM 695 CB ARG A 46 -6.892 -2.399 8.686 1.00 0.00 C ATOM 696 CG ARG A 46 -6.379 -1.060 9.247 1.00 0.00 C ATOM 697 CD ARG A 46 -5.020 -1.185 9.949 1.00 0.00 C ATOM 698 NE ARG A 46 -4.897 -0.190 11.023 1.00 0.00 N ATOM 699 CZ ARG A 46 -3.773 0.174 11.650 1.00 0.00 C ATOM 700 NH1 ARG A 46 -2.594 -0.316 11.290 1.00 0.00 N ATOM 701 NH2 ARG A 46 -3.843 1.020 12.667 1.00 0.00 N ATOM 0 H ARG A 46 -8.259 -1.528 5.941 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.249 -1.628 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.917 -2.555 9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.294 -3.211 9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.296 -0.339 8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.110 -0.663 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.909 -2.188 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.217 -1.047 9.225 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.757 0.270 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.532 -0.984 10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.749 -0.025 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.747 1.387 12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.993 1.305 13.153 1.00 0.00 H new ATOM 715 N PHE A 47 -4.826 -3.683 6.609 1.00 0.00 N ATOM 716 CA PHE A 47 -4.003 -4.839 6.327 1.00 0.00 C ATOM 717 C PHE A 47 -2.654 -4.640 6.975 1.00 0.00 C ATOM 718 O PHE A 47 -2.294 -3.556 7.455 1.00 0.00 O ATOM 719 CB PHE A 47 -3.880 -5.107 4.815 1.00 0.00 C ATOM 720 CG PHE A 47 -3.151 -4.045 4.018 1.00 0.00 C ATOM 721 CD1 PHE A 47 -3.790 -2.827 3.711 1.00 0.00 C ATOM 722 CD2 PHE A 47 -1.846 -4.286 3.555 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.113 -1.845 2.967 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.189 -3.321 2.774 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.817 -2.096 2.492 1.00 0.00 C ATOM 0 H PHE A 47 -4.292 -2.833 6.792 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.477 -5.726 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.366 -6.058 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.882 -5.221 4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.800 -2.648 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.349 -5.213 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.590 -0.898 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.200 -3.521 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.302 -1.347 1.909 1.00 0.00 H new ATOM 735 N SER A 48 -1.905 -5.725 6.993 1.00 0.00 N ATOM 736 CA SER A 48 -0.563 -5.769 7.512 1.00 0.00 C ATOM 737 C SER A 48 0.188 -6.869 6.781 1.00 0.00 C ATOM 738 O SER A 48 -0.431 -7.669 6.082 1.00 0.00 O ATOM 739 CB SER A 48 -0.634 -6.032 9.020 1.00 0.00 C ATOM 740 OG SER A 48 -1.610 -7.002 9.368 1.00 0.00 O ATOM 0 H SER A 48 -2.228 -6.624 6.635 1.00 0.00 H new ATOM 0 HA SER A 48 -0.036 -4.828 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.343 -6.365 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.857 -5.098 9.536 1.00 0.00 H new ATOM 0 HG SER A 48 -1.611 -7.131 10.339 1.00 0.00 H new ATOM 746 N GLY A 49 1.492 -6.970 6.993 1.00 0.00 N ATOM 747 CA GLY A 49 2.237 -8.151 6.621 1.00 0.00 C ATOM 748 C GLY A 49 3.695 -7.955 6.973 1.00 0.00 C ATOM 749 O GLY A 49 4.144 -6.823 7.182 1.00 0.00 O ATOM 0 H GLY A 49 2.055 -6.238 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.840 -9.024 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.131 -8.340 5.553 1.00 0.00 H new ATOM 753 N GLU A 50 4.438 -9.053 7.004 1.00 0.00 N ATOM 754 CA GLU A 50 5.878 -9.028 7.009 1.00 0.00 C ATOM 755 C GLU A 50 6.290 -8.879 5.548 1.00 0.00 C ATOM 756 O GLU A 50 6.297 -9.829 4.763 1.00 0.00 O ATOM 757 CB GLU A 50 6.456 -10.252 7.726 1.00 0.00 C ATOM 758 CG GLU A 50 5.955 -11.618 7.247 1.00 0.00 C ATOM 759 CD GLU A 50 6.505 -12.769 8.096 1.00 0.00 C ATOM 760 OE1 GLU A 50 7.732 -12.813 8.327 1.00 0.00 O ATOM 761 OE2 GLU A 50 5.691 -13.641 8.501 1.00 0.00 O ATOM 0 H GLU A 50 4.044 -9.994 7.027 1.00 0.00 H new ATOM 0 HA GLU A 50 6.287 -8.195 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.541 -10.229 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.237 -10.161 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.866 -11.635 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.246 -11.765 6.207 1.00 0.00 H new ATOM 768 N GLY A 51 6.525 -7.632 5.171 1.00 0.00 N ATOM 769 CA GLY A 51 7.167 -7.303 3.917 1.00 0.00 C ATOM 770 C GLY A 51 8.636 -7.704 3.969 1.00 0.00 C ATOM 771 O GLY A 51 9.181 -8.037 5.029 1.00 0.00 O ATOM 0 H GLY A 51 6.273 -6.819 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.669 -7.819 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.079 -6.234 3.722 1.00 0.00 H new ATOM 775 N LYS A 52 9.300 -7.652 2.817 1.00 0.00 N ATOM 776 CA LYS A 52 10.743 -7.786 2.725 1.00 0.00 C ATOM 777 C LYS A 52 11.197 -7.047 1.480 1.00 0.00 C ATOM 778 O LYS A 52 10.451 -7.018 0.505 1.00 0.00 O ATOM 779 CB LYS A 52 11.081 -9.287 2.658 1.00 0.00 C ATOM 780 CG LYS A 52 12.575 -9.617 2.738 1.00 0.00 C ATOM 781 CD LYS A 52 13.194 -9.282 4.102 1.00 0.00 C ATOM 782 CE LYS A 52 13.703 -10.523 4.857 1.00 0.00 C ATOM 783 NZ LYS A 52 12.636 -11.248 5.587 1.00 0.00 N ATOM 0 H LYS A 52 8.843 -7.514 1.916 1.00 0.00 H new ATOM 0 HA LYS A 52 11.255 -7.360 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.567 -9.797 3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.684 -9.693 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.718 -10.678 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.105 -9.067 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.022 -8.587 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.452 -8.771 4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.174 -11.203 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.474 -10.218 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.046 -12.071 6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.202 -10.614 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.911 -11.569 4.914 1.00 0.00 H new ATOM 797 N LEU A 53 12.388 -6.445 1.509 1.00 0.00 N ATOM 798 CA LEU A 53 12.937 -5.683 0.391 1.00 0.00 C ATOM 799 C LEU A 53 14.250 -6.347 0.030 1.00 0.00 C ATOM 800 O LEU A 53 15.315 -5.947 0.499 1.00 0.00 O ATOM 801 CB LEU A 53 13.091 -4.181 0.723 1.00 0.00 C ATOM 802 CG LEU A 53 13.175 -3.237 -0.495 1.00 0.00 C ATOM 803 CD1 LEU A 53 14.307 -3.560 -1.477 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.840 -3.194 -1.248 1.00 0.00 C ATOM 0 H LEU A 53 13.004 -6.475 2.321 1.00 0.00 H new ATOM 0 HA LEU A 53 12.259 -5.696 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.247 -3.875 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.990 -4.050 1.325 1.00 0.00 H new ATOM 0 HG LEU A 53 13.405 -2.259 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.289 -2.846 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.265 -3.496 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.173 -4.568 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.925 -2.522 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.587 -4.195 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.057 -2.835 -0.580 1.00 0.00 H new ATOM 816 N SER A 54 14.166 -7.414 -0.753 1.00 0.00 N ATOM 817 CA SER A 54 15.317 -8.155 -1.224 1.00 0.00 C ATOM 818 C SER A 54 15.555 -7.788 -2.692 1.00 0.00 C ATOM 819 O SER A 54 16.648 -7.337 -3.030 1.00 0.00 O ATOM 820 CB SER A 54 15.058 -9.646 -0.969 1.00 0.00 C ATOM 821 OG SER A 54 16.268 -10.355 -0.796 1.00 0.00 O ATOM 0 H SER A 54 13.277 -7.792 -1.082 1.00 0.00 H new ATOM 0 HA SER A 54 16.236 -7.905 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.436 -9.763 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.503 -10.069 -1.806 1.00 0.00 H new ATOM 0 HG SER A 54 16.072 -11.301 -0.634 1.00 0.00 H new ATOM 827 N ASN A 55 14.527 -7.918 -3.539 1.00 0.00 N ATOM 828 CA ASN A 55 14.617 -7.944 -5.004 1.00 0.00 C ATOM 829 C ASN A 55 13.594 -7.016 -5.679 1.00 0.00 C ATOM 830 O ASN A 55 13.142 -7.285 -6.793 1.00 0.00 O ATOM 831 CB ASN A 55 14.461 -9.396 -5.500 1.00 0.00 C ATOM 832 CG ASN A 55 13.085 -9.999 -5.207 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.645 -10.007 -4.059 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.398 -10.531 -6.201 1.00 0.00 N ATOM 0 H ASN A 55 13.567 -8.012 -3.207 1.00 0.00 H new ATOM 0 HA ASN A 55 15.599 -7.564 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.640 -9.425 -6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.227 -10.015 -5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.488 -10.957 -6.022 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.777 -10.516 -7.148 1.00 0.00 H new ATOM 841 N GLY A 56 13.193 -5.926 -5.014 1.00 0.00 N ATOM 842 CA GLY A 56 12.207 -4.999 -5.574 1.00 0.00 C ATOM 843 C GLY A 56 10.813 -5.626 -5.644 1.00 0.00 C ATOM 844 O GLY A 56 10.030 -5.322 -6.543 1.00 0.00 O ATOM 0 H GLY A 56 13.536 -5.666 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.169 -4.096 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.520 -4.696 -6.573 1.00 0.00 H new ATOM 848 N GLU A 57 10.513 -6.536 -4.719 1.00 0.00 N ATOM 849 CA GLU A 57 9.259 -7.259 -4.653 1.00 0.00 C ATOM 850 C GLU A 57 8.767 -7.179 -3.218 1.00 0.00 C ATOM 851 O GLU A 57 9.528 -7.491 -2.300 1.00 0.00 O ATOM 852 CB GLU A 57 9.500 -8.710 -5.068 1.00 0.00 C ATOM 853 CG GLU A 57 8.177 -9.479 -5.122 1.00 0.00 C ATOM 854 CD GLU A 57 8.421 -10.938 -5.474 1.00 0.00 C ATOM 855 OE1 GLU A 57 8.905 -11.708 -4.613 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.138 -11.342 -6.620 1.00 0.00 O ATOM 0 H GLU A 57 11.161 -6.793 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 57 8.512 -6.834 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.985 -8.740 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.177 -9.189 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.671 -9.411 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.517 -9.026 -5.862 1.00 0.00 H new ATOM 863 N LEU A 58 7.534 -6.724 -3.005 1.00 0.00 N ATOM 864 CA LEU A 58 6.876 -6.726 -1.704 1.00 0.00 C ATOM 865 C LEU A 58 5.874 -7.880 -1.650 1.00 0.00 C ATOM 866 O LEU A 58 4.795 -7.794 -2.243 1.00 0.00 O ATOM 867 CB LEU A 58 6.189 -5.375 -1.463 1.00 0.00 C ATOM 868 CG LEU A 58 5.535 -5.217 -0.081 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.576 -5.355 1.032 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.829 -3.853 0.015 1.00 0.00 C ATOM 0 H LEU A 58 6.954 -6.336 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 58 7.612 -6.870 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.925 -4.582 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.426 -5.231 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 58 4.796 -6.009 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.090 -5.240 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.042 -6.339 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.339 -4.585 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.369 -3.750 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.558 -3.055 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.060 -3.786 -0.755 1.00 0.00 H new ATOM 882 N THR A 59 6.214 -8.965 -0.958 1.00 0.00 N ATOM 883 CA THR A 59 5.264 -10.023 -0.625 1.00 0.00 C ATOM 884 C THR A 59 4.645 -9.773 0.754 1.00 0.00 C ATOM 885 O THR A 59 5.289 -9.197 1.634 1.00 0.00 O ATOM 886 CB THR A 59 5.972 -11.390 -0.638 1.00 0.00 C ATOM 887 OG1 THR A 59 7.275 -11.291 -0.076 1.00 0.00 O ATOM 888 CG2 THR A 59 6.025 -11.960 -2.056 1.00 0.00 C ATOM 0 H THR A 59 7.158 -9.135 -0.612 1.00 0.00 H new ATOM 0 HA THR A 59 4.470 -10.023 -1.371 1.00 0.00 H new ATOM 0 HB THR A 59 5.394 -12.078 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.706 -12.171 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.530 -12.926 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.011 -12.086 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.572 -11.275 -2.703 1.00 0.00 H new ATOM 896 N ALA A 60 3.430 -10.284 0.969 1.00 0.00 N ATOM 897 CA ALA A 60 2.883 -10.649 2.266 1.00 0.00 C ATOM 898 C ALA A 60 1.804 -11.714 2.053 1.00 0.00 C ATOM 899 O ALA A 60 0.702 -11.402 1.594 1.00 0.00 O ATOM 900 CB ALA A 60 2.297 -9.440 2.999 1.00 0.00 C ATOM 0 H ALA A 60 2.777 -10.460 0.206 1.00 0.00 H new ATOM 0 HA ALA A 60 3.687 -11.039 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.899 -9.757 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.078 -8.696 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.496 -9.005 2.401 1.00 0.00 H new ATOM 906 N LYS A 61 2.106 -12.967 2.398 1.00 0.00 N ATOM 907 CA LYS A 61 1.109 -14.037 2.490 1.00 0.00 C ATOM 908 C LYS A 61 0.334 -13.942 3.811 1.00 0.00 C ATOM 909 O LYS A 61 -0.806 -14.405 3.907 1.00 0.00 O ATOM 910 CB LYS A 61 1.827 -15.393 2.370 1.00 0.00 C ATOM 911 CG LYS A 61 0.862 -16.522 1.973 1.00 0.00 C ATOM 912 CD LYS A 61 1.487 -17.917 2.116 1.00 0.00 C ATOM 913 CE LYS A 61 1.581 -18.332 3.587 1.00 0.00 C ATOM 914 NZ LYS A 61 1.982 -19.744 3.762 1.00 0.00 N ATOM 0 H LYS A 61 3.054 -13.270 2.623 1.00 0.00 H new ATOM 0 HA LYS A 61 0.387 -13.937 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.622 -15.318 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.300 -15.638 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.032 -16.464 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.544 -16.376 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.889 -18.645 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.482 -17.921 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.300 -17.690 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.616 -18.172 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.029 -19.968 4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.284 -20.363 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.916 -19.896 3.330 1.00 0.00 H new ATOM 928 N GLY A 62 0.932 -13.345 4.843 1.00 0.00 N ATOM 929 CA GLY A 62 0.402 -13.217 6.196 1.00 0.00 C ATOM 930 C GLY A 62 -0.537 -12.034 6.352 1.00 0.00 C ATOM 931 O GLY A 62 -0.485 -11.336 7.367 1.00 0.00 O ATOM 0 H GLY A 62 1.852 -12.914 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.127 -14.132 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.230 -13.112 6.897 1.00 0.00 H new ATOM 935 N LEU A 63 -1.351 -11.748 5.338 1.00 0.00 N ATOM 936 CA LEU A 63 -2.035 -10.481 5.223 1.00 0.00 C ATOM 937 C LEU A 63 -3.301 -10.446 6.068 1.00 0.00 C ATOM 938 O LEU A 63 -4.409 -10.683 5.588 1.00 0.00 O ATOM 939 CB LEU A 63 -2.277 -10.185 3.754 1.00 0.00 C ATOM 940 CG LEU A 63 -2.588 -8.702 3.525 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.433 -8.075 2.730 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.925 -8.555 2.811 1.00 0.00 C ATOM 0 H LEU A 63 -1.549 -12.396 4.576 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.410 -9.684 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.398 -10.467 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.106 -10.792 3.391 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.675 -8.176 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.640 -7.019 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.506 -8.176 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.332 -8.585 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.138 -7.498 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.882 -9.065 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.713 -8.997 3.420 1.00 0.00 H new ATOM 954 N ALA A 64 -3.116 -10.182 7.355 1.00 0.00 N ATOM 955 CA ALA A 64 -4.202 -10.024 8.308 1.00 0.00 C ATOM 956 C ALA A 64 -4.905 -8.690 8.045 1.00 0.00 C ATOM 957 O ALA A 64 -4.219 -7.670 7.942 1.00 0.00 O ATOM 958 CB ALA A 64 -3.639 -10.080 9.730 1.00 0.00 C ATOM 0 H ALA A 64 -2.191 -10.070 7.771 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.929 -10.829 8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.451 -9.962 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.150 -11.041 9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.914 -9.277 9.866 1.00 0.00 H new ATOM 964 N MET A 65 -6.238 -8.712 7.966 1.00 0.00 N ATOM 965 CA MET A 65 -7.154 -7.587 7.731 1.00 0.00 C ATOM 966 C MET A 65 -8.289 -7.609 8.776 1.00 0.00 C ATOM 967 O MET A 65 -8.317 -8.500 9.630 1.00 0.00 O ATOM 968 CB MET A 65 -7.743 -7.680 6.308 1.00 0.00 C ATOM 969 CG MET A 65 -6.696 -7.798 5.196 1.00 0.00 C ATOM 970 SD MET A 65 -7.387 -7.812 3.519 1.00 0.00 S ATOM 971 CE MET A 65 -7.446 -6.035 3.167 1.00 0.00 C ATOM 0 H MET A 65 -6.749 -9.588 8.073 1.00 0.00 H new ATOM 0 HA MET A 65 -6.603 -6.651 7.826 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.407 -8.543 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.354 -6.797 6.123 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.997 -6.966 5.281 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.123 -8.713 5.348 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.478 -5.688 3.216 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.848 -5.498 3.903 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.047 -5.848 2.170 1.00 0.00 H new ATOM 981 N THR A 66 -9.248 -6.677 8.702 1.00 0.00 N ATOM 982 CA THR A 66 -10.385 -6.550 9.628 1.00 0.00 C ATOM 983 C THR A 66 -11.722 -6.763 8.919 1.00 0.00 C ATOM 984 O THR A 66 -11.757 -7.266 7.795 1.00 0.00 O ATOM 985 CB THR A 66 -10.333 -5.233 10.426 1.00 0.00 C ATOM 986 OG1 THR A 66 -10.679 -4.110 9.653 1.00 0.00 O ATOM 987 CG2 THR A 66 -8.963 -4.981 11.045 1.00 0.00 C ATOM 0 H THR A 66 -9.255 -5.965 7.971 1.00 0.00 H new ATOM 0 HA THR A 66 -10.298 -7.352 10.361 1.00 0.00 H new ATOM 0 HB THR A 66 -11.072 -5.363 11.216 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.923 -3.862 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.980 -4.041 11.596 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.716 -5.796 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.212 -4.926 10.257 1.00 0.00 H new ATOM 995 N ARG A 67 -12.817 -6.446 9.613 1.00 0.00 N ATOM 996 CA ARG A 67 -14.193 -6.615 9.182 1.00 0.00 C ATOM 997 C ARG A 67 -14.953 -5.359 9.609 1.00 0.00 C ATOM 998 O ARG A 67 -15.571 -5.315 10.674 1.00 0.00 O ATOM 999 CB ARG A 67 -14.765 -7.933 9.748 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.562 -8.155 11.262 1.00 0.00 C ATOM 1001 CD ARG A 67 -13.384 -9.066 11.593 1.00 0.00 C ATOM 1002 NE ARG A 67 -13.143 -9.116 13.044 1.00 0.00 N ATOM 1003 CZ ARG A 67 -12.492 -10.092 13.683 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -11.934 -11.092 13.009 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -12.423 -10.065 15.006 1.00 0.00 N ATOM 0 H ARG A 67 -12.755 -6.040 10.547 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.285 -6.712 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.833 -7.965 9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.308 -8.765 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.411 -7.190 11.745 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.471 -8.584 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -13.581 -10.071 11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.489 -8.707 11.085 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.501 -8.344 13.606 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.000 -11.121 11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.440 -11.831 13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.864 -9.305 15.524 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.929 -10.804 15.506 1.00 0.00 H new ATOM 1019 N MET A 68 -14.821 -4.288 8.840 1.00 0.00 N ATOM 1020 CA MET A 68 -15.461 -2.990 9.031 1.00 0.00 C ATOM 1021 C MET A 68 -16.072 -2.572 7.686 1.00 0.00 C ATOM 1022 O MET A 68 -16.380 -3.426 6.853 1.00 0.00 O ATOM 1023 CB MET A 68 -14.437 -1.978 9.574 1.00 0.00 C ATOM 1024 CG MET A 68 -13.838 -2.375 10.926 1.00 0.00 C ATOM 1025 SD MET A 68 -12.820 -1.085 11.707 1.00 0.00 S ATOM 1026 CE MET A 68 -11.401 -1.037 10.567 1.00 0.00 C ATOM 0 H MET A 68 -14.226 -4.301 8.012 1.00 0.00 H new ATOM 0 HA MET A 68 -16.260 -3.036 9.771 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.631 -1.865 8.849 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.918 -1.005 9.671 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.649 -2.641 11.604 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.229 -3.269 10.791 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.497 -1.331 11.099 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.575 -1.725 9.740 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.280 -0.026 10.178 1.00 0.00 H new ATOM 1036 N MET A 69 -16.355 -1.284 7.492 1.00 0.00 N ATOM 1037 CA MET A 69 -16.543 -0.662 6.201 1.00 0.00 C ATOM 1038 C MET A 69 -15.976 0.747 6.210 1.00 0.00 C ATOM 1039 O MET A 69 -15.959 1.441 7.229 1.00 0.00 O ATOM 1040 CB MET A 69 -18.028 -0.628 5.871 1.00 0.00 C ATOM 1041 CG MET A 69 -18.882 0.200 6.849 1.00 0.00 C ATOM 1042 SD MET A 69 -20.226 -0.698 7.670 1.00 0.00 S ATOM 1043 CE MET A 69 -19.309 -2.094 8.351 1.00 0.00 C ATOM 0 H MET A 69 -16.462 -0.628 8.266 1.00 0.00 H new ATOM 0 HA MET A 69 -16.017 -1.240 5.442 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.155 -0.224 4.867 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.407 -1.650 5.854 1.00 0.00 H new ATOM 0 HG2 MET A 69 -18.226 0.615 7.614 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.311 1.042 6.306 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.965 -2.682 8.993 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.942 -2.720 7.538 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.465 -1.725 8.934 1.00 0.00 H new ATOM 1053 N CYS A 70 -15.644 1.201 5.015 1.00 0.00 N ATOM 1054 CA CYS A 70 -15.250 2.563 4.673 1.00 0.00 C ATOM 1055 C CYS A 70 -16.450 3.417 4.238 1.00 0.00 C ATOM 1056 O CYS A 70 -16.302 4.625 4.059 1.00 0.00 O ATOM 1057 CB CYS A 70 -14.200 2.497 3.548 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.494 1.228 2.259 1.00 0.00 S ATOM 0 H CYS A 70 -15.641 0.589 4.199 1.00 0.00 H new ATOM 0 HA CYS A 70 -14.830 3.041 5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -14.149 3.473 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -13.224 2.313 3.997 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.628 2.806 4.044 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.815 3.376 3.395 1.00 0.00 C ATOM 1065 C ALA A 71 -18.586 3.819 1.940 1.00 0.00 C ATOM 1066 O ALA A 71 -19.502 4.354 1.316 1.00 0.00 O ATOM 1067 CB ALA A 71 -19.441 4.489 4.246 1.00 0.00 C ATOM 0 H ALA A 71 -17.785 1.847 4.354 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.533 2.559 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.317 4.888 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.738 4.084 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.713 5.286 4.395 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.416 3.548 1.366 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.098 3.799 -0.032 1.00 0.00 C ATOM 1075 C ASN A 72 -16.953 2.452 -0.749 1.00 0.00 C ATOM 1076 O ASN A 72 -16.454 1.509 -0.134 1.00 0.00 O ATOM 1077 CB ASN A 72 -15.786 4.579 -0.064 1.00 0.00 C ATOM 1078 CG ASN A 72 -15.291 4.819 -1.478 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -14.650 3.964 -2.064 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.587 5.958 -2.058 1.00 0.00 N ATOM 0 H ASN A 72 -16.639 3.134 1.881 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.878 4.372 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.923 5.537 0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.027 4.032 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.280 6.139 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.124 6.663 -1.553 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.359 2.331 -2.021 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.282 1.072 -2.756 1.00 0.00 C ATOM 1089 C PRO A 73 -15.855 0.775 -3.235 1.00 0.00 C ATOM 1090 O PRO A 73 -15.342 -0.326 -3.058 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.242 1.274 -3.929 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.191 2.773 -4.205 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.034 3.355 -2.808 1.00 0.00 C ATOM 0 HA PRO A 73 -17.549 0.214 -2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.931 0.698 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.252 0.950 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.356 3.039 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.099 3.128 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.452 4.276 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.004 3.602 -2.377 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.215 1.783 -3.825 1.00 0.00 N ATOM 1102 CA GLN A 74 -13.937 1.734 -4.512 1.00 0.00 C ATOM 1103 C GLN A 74 -12.843 1.247 -3.558 1.00 0.00 C ATOM 1104 O GLN A 74 -12.034 0.388 -3.900 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.671 3.157 -5.044 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.735 3.190 -6.250 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.668 4.592 -6.857 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.625 5.046 -7.488 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.564 5.300 -6.671 1.00 0.00 N ATOM 0 H GLN A 74 -15.611 2.723 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.944 1.028 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.620 3.618 -5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.242 3.761 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.737 2.873 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.081 2.481 -7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.786 4.902 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.492 6.243 -7.053 1.00 0.00 H new ATOM 1118 N LEU A 75 -12.833 1.804 -2.347 1.00 0.00 N ATOM 1119 CA LEU A 75 -11.917 1.457 -1.275 1.00 0.00 C ATOM 1120 C LEU A 75 -12.152 0.013 -0.814 1.00 0.00 C ATOM 1121 O LEU A 75 -11.185 -0.709 -0.592 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.088 2.456 -0.116 1.00 0.00 C ATOM 1123 CG LEU A 75 -11.769 3.929 -0.431 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -12.049 4.793 0.800 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -10.320 4.142 -0.847 1.00 0.00 C ATOM 0 H LEU A 75 -13.491 2.537 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.890 1.518 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.118 2.397 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.450 2.137 0.708 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.407 4.215 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.822 5.835 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.099 4.703 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.425 4.458 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.153 5.199 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.659 3.823 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.109 3.557 -1.742 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.413 -0.408 -0.665 1.00 0.00 N ATOM 1138 CA ASN A 76 -13.778 -1.775 -0.272 1.00 0.00 C ATOM 1139 C ASN A 76 -13.269 -2.811 -1.284 1.00 0.00 C ATOM 1140 O ASN A 76 -12.703 -3.822 -0.886 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.305 -1.901 -0.073 1.00 0.00 C ATOM 1142 CG ASN A 76 -15.683 -2.470 1.294 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.239 -3.537 1.697 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -16.574 -1.802 2.026 1.00 0.00 N ATOM 0 H ASN A 76 -14.219 0.198 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.291 -1.983 0.681 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.764 -0.919 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.716 -2.541 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.885 -2.180 2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.945 -0.913 1.691 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.433 -2.570 -2.588 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.899 -3.430 -3.647 1.00 0.00 C ATOM 1153 C GLU A 77 -11.363 -3.451 -3.625 1.00 0.00 C ATOM 1154 O GLU A 77 -10.757 -4.487 -3.903 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.487 -2.964 -4.977 1.00 0.00 C ATOM 1156 CG GLU A 77 -12.764 -3.406 -6.253 1.00 0.00 C ATOM 1157 CD GLU A 77 -12.875 -4.881 -6.677 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.577 -5.695 -6.035 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.294 -5.204 -7.744 1.00 0.00 O ATOM 0 H GLU A 77 -13.946 -1.763 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.194 -4.467 -3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.517 -3.316 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.522 -1.875 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.135 -2.794 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.706 -3.172 -6.134 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.713 -2.335 -3.275 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.254 -2.278 -3.201 1.00 0.00 C ATOM 1168 C LEU A 78 -8.691 -3.204 -2.117 1.00 0.00 C ATOM 1169 O LEU A 78 -7.526 -3.588 -2.228 1.00 0.00 O ATOM 1170 CB LEU A 78 -8.752 -0.837 -2.985 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.660 0.008 -4.269 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.468 1.492 -3.911 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -7.498 -0.442 -5.168 1.00 0.00 C ATOM 0 H LEU A 78 -11.178 -1.459 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.885 -2.631 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.418 -0.336 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.767 -0.875 -2.519 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.593 -0.132 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.404 2.082 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.315 1.835 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.549 1.612 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.468 0.180 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.558 -0.342 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.642 -1.484 -5.455 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.485 -3.617 -1.121 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.073 -4.631 -0.144 1.00 0.00 C ATOM 1187 C ASP A 79 -8.860 -5.986 -0.806 1.00 0.00 C ATOM 1188 O ASP A 79 -8.075 -6.798 -0.309 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.099 -4.824 0.980 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.181 -3.712 2.019 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -9.158 -3.099 2.406 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.296 -3.539 2.547 1.00 0.00 O ATOM 0 H ASP A 79 -10.428 -3.259 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.141 -4.258 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.084 -4.943 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.870 -5.757 1.495 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.552 -6.265 -1.913 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.325 -7.505 -2.639 1.00 0.00 C ATOM 1199 C ASN A 80 -8.026 -7.357 -3.414 1.00 0.00 C ATOM 1200 O ASN A 80 -7.120 -8.176 -3.253 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.473 -7.864 -3.600 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.756 -8.358 -2.944 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -12.078 -7.941 -1.732 1.00 0.00 O flip ATOM 1204 ND2 ASN A 80 -12.515 -9.104 -3.551 1.00 0.00 N flip ATOM 0 H ASN A 80 -10.263 -5.656 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.272 -8.320 -1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.709 -6.984 -4.199 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.119 -8.632 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.271 -9.429 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.391 -9.400 -3.121 1.00 0.00 H new ATOM 1211 N THR A 81 -7.922 -6.282 -4.204 1.00 0.00 N ATOM 1212 CA THR A 81 -6.744 -5.962 -4.992 1.00 0.00 C ATOM 1213 C THR A 81 -5.477 -6.071 -4.132 1.00 0.00 C ATOM 1214 O THR A 81 -4.590 -6.841 -4.491 1.00 0.00 O ATOM 1215 CB THR A 81 -6.907 -4.569 -5.627 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.127 -4.446 -6.344 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.766 -4.224 -6.586 1.00 0.00 C ATOM 0 H THR A 81 -8.674 -5.601 -4.310 1.00 0.00 H new ATOM 0 HA THR A 81 -6.637 -6.683 -5.803 1.00 0.00 H new ATOM 0 HB THR A 81 -6.899 -3.876 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.191 -3.547 -6.729 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.931 -3.232 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.820 -4.237 -6.045 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.733 -4.958 -7.392 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.372 -5.339 -3.015 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.134 -5.282 -2.238 1.00 0.00 C ATOM 1227 C ILE A 82 -3.701 -6.673 -1.776 1.00 0.00 C ATOM 1228 O ILE A 82 -2.511 -6.992 -1.816 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.266 -4.288 -1.058 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.927 -4.016 -0.348 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.268 -4.748 0.016 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.877 -3.376 -1.257 1.00 0.00 C ATOM 0 H ILE A 82 -6.133 -4.778 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.343 -4.907 -2.888 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.629 -3.376 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.103 -3.363 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.535 -4.955 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.312 -4.007 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.256 -4.859 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.947 -5.705 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.959 -3.212 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.672 -4.038 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.250 -2.422 -1.628 1.00 0.00 H new ATOM 1244 N SER A 83 -4.663 -7.500 -1.364 1.00 0.00 N ATOM 1245 CA SER A 83 -4.410 -8.827 -0.848 1.00 0.00 C ATOM 1246 C SER A 83 -3.724 -9.656 -1.926 1.00 0.00 C ATOM 1247 O SER A 83 -2.639 -10.198 -1.704 1.00 0.00 O ATOM 1248 CB SER A 83 -5.751 -9.407 -0.372 1.00 0.00 C ATOM 1249 OG SER A 83 -5.652 -10.663 0.269 1.00 0.00 O ATOM 0 H SER A 83 -5.653 -7.253 -1.384 1.00 0.00 H new ATOM 0 HA SER A 83 -3.734 -8.822 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.216 -8.699 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.416 -9.503 -1.230 1.00 0.00 H new ATOM 0 HG SER A 83 -6.544 -10.962 0.542 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.334 -9.721 -3.107 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.855 -10.540 -4.205 1.00 0.00 C ATOM 1257 C GLU A 84 -2.638 -9.926 -4.919 1.00 0.00 C ATOM 1258 O GLU A 84 -1.919 -10.657 -5.600 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.050 -10.826 -5.119 1.00 0.00 C ATOM 1260 CG GLU A 84 -4.735 -11.760 -6.300 1.00 0.00 C ATOM 1261 CD GLU A 84 -5.960 -12.590 -6.691 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.803 -12.144 -7.502 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -6.099 -13.688 -6.102 1.00 0.00 O ATOM 0 H GLU A 84 -5.183 -9.199 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.465 -11.488 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.849 -11.268 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.428 -9.881 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.404 -11.171 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.913 -12.424 -6.033 1.00 0.00 H new ATOM 1270 N MET A 85 -2.332 -8.634 -4.738 1.00 0.00 N ATOM 1271 CA MET A 85 -1.052 -8.070 -5.149 1.00 0.00 C ATOM 1272 C MET A 85 0.027 -8.685 -4.261 1.00 0.00 C ATOM 1273 O MET A 85 0.913 -9.411 -4.707 1.00 0.00 O ATOM 1274 CB MET A 85 -1.085 -6.538 -5.030 1.00 0.00 C ATOM 1275 CG MET A 85 -1.965 -5.908 -6.110 1.00 0.00 C ATOM 1276 SD MET A 85 -2.202 -4.124 -5.922 1.00 0.00 S ATOM 1277 CE MET A 85 -0.728 -3.573 -6.807 1.00 0.00 C ATOM 0 H MET A 85 -2.964 -7.960 -4.305 1.00 0.00 H new ATOM 0 HA MET A 85 -0.838 -8.300 -6.193 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.459 -6.257 -4.046 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.072 -6.144 -5.110 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.520 -6.104 -7.086 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.939 -6.396 -6.100 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.716 -2.484 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.162 -3.925 -6.286 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.739 -3.977 -7.819 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.095 -8.441 -2.959 1.00 0.00 N ATOM 1288 CA LEU A 86 0.896 -8.796 -1.955 1.00 0.00 C ATOM 1289 C LEU A 86 1.092 -10.307 -1.853 1.00 0.00 C ATOM 1290 O LEU A 86 2.183 -10.757 -1.508 1.00 0.00 O ATOM 1291 CB LEU A 86 0.419 -8.219 -0.616 1.00 0.00 C ATOM 1292 CG LEU A 86 0.739 -6.726 -0.388 1.00 0.00 C ATOM 1293 CD1 LEU A 86 2.107 -6.598 0.281 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.751 -5.811 -1.623 1.00 0.00 C ATOM 0 H LEU A 86 -0.913 -7.976 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 86 1.865 -8.382 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.660 -8.357 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.869 -8.797 0.191 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.093 -6.382 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.336 -5.545 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.094 -7.118 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.869 -7.040 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.989 -4.792 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.502 -6.164 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.230 -5.828 -2.098 1.00 0.00 H new ATOM 1306 N LYS A 87 0.068 -11.108 -2.149 1.00 0.00 N ATOM 1307 CA LYS A 87 0.178 -12.560 -2.082 1.00 0.00 C ATOM 1308 C LYS A 87 1.185 -13.074 -3.109 1.00 0.00 C ATOM 1309 O LYS A 87 1.870 -14.056 -2.841 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.196 -13.213 -2.326 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.687 -14.005 -1.109 1.00 0.00 C ATOM 1312 CD LYS A 87 -3.209 -14.172 -1.178 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.693 -14.973 0.029 1.00 0.00 C ATOM 1314 NZ LYS A 87 -5.146 -15.223 -0.025 1.00 0.00 N ATOM 0 H LYS A 87 -0.850 -10.771 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 87 0.528 -12.828 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.925 -12.441 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.132 -13.877 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.206 -14.983 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.410 -13.487 -0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.692 -13.195 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.487 -14.682 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.162 -15.924 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.451 -14.433 0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.436 -15.769 0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.654 -14.316 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.374 -15.761 -0.886 1.00 0.00 H new ATOM 1328 N GLU A 88 1.260 -12.431 -4.274 1.00 0.00 N ATOM 1329 CA GLU A 88 1.970 -12.925 -5.452 1.00 0.00 C ATOM 1330 C GLU A 88 3.289 -12.182 -5.675 1.00 0.00 C ATOM 1331 O GLU A 88 3.996 -12.490 -6.631 1.00 0.00 O ATOM 1332 CB GLU A 88 1.043 -12.788 -6.671 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.143 -13.760 -6.615 1.00 0.00 C ATOM 1334 CD GLU A 88 0.247 -15.183 -7.030 1.00 0.00 C ATOM 1335 OE1 GLU A 88 0.694 -15.984 -6.171 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -0.003 -15.554 -8.198 1.00 0.00 O ATOM 0 H GLU A 88 0.815 -11.526 -4.428 1.00 0.00 H new ATOM 0 HA GLU A 88 2.230 -13.972 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.669 -11.766 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.615 -12.969 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.547 -13.778 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.937 -13.398 -7.269 1.00 0.00 H new ATOM 1343 N GLY A 89 3.626 -11.226 -4.805 1.00 0.00 N ATOM 1344 CA GLY A 89 4.821 -10.414 -4.936 1.00 0.00 C ATOM 1345 C GLY A 89 4.507 -9.222 -5.816 1.00 0.00 C ATOM 1346 O GLY A 89 4.497 -9.327 -7.041 1.00 0.00 O ATOM 0 H GLY A 89 3.065 -10.998 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.160 -10.080 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.630 -11.001 -5.370 1.00 0.00 H new ATOM 1350 N ALA A 90 4.198 -8.094 -5.181 1.00 0.00 N ATOM 1351 CA ALA A 90 3.964 -6.854 -5.894 1.00 0.00 C ATOM 1352 C ALA A 90 5.308 -6.245 -6.291 1.00 0.00 C ATOM 1353 O ALA A 90 6.223 -6.191 -5.469 1.00 0.00 O ATOM 1354 CB ALA A 90 3.148 -5.909 -5.020 1.00 0.00 C ATOM 0 H ALA A 90 4.105 -8.020 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 90 3.393 -7.038 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.973 -4.977 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.192 -6.373 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.695 -5.700 -4.100 1.00 0.00 H new ATOM 1360 N GLN A 91 5.410 -5.780 -7.532 1.00 0.00 N ATOM 1361 CA GLN A 91 6.558 -5.095 -8.092 1.00 0.00 C ATOM 1362 C GLN A 91 6.560 -3.714 -7.454 1.00 0.00 C ATOM 1363 O GLN A 91 5.629 -2.939 -7.681 1.00 0.00 O ATOM 1364 CB GLN A 91 6.424 -5.007 -9.626 1.00 0.00 C ATOM 1365 CG GLN A 91 6.637 -6.319 -10.406 1.00 0.00 C ATOM 1366 CD GLN A 91 5.694 -7.454 -10.002 1.00 0.00 C ATOM 1367 OE1 GLN A 91 4.574 -7.567 -10.496 1.00 0.00 O ATOM 1368 NE2 GLN A 91 6.125 -8.323 -9.101 1.00 0.00 N ATOM 0 H GLN A 91 4.651 -5.879 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 91 7.492 -5.619 -7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.430 -4.626 -9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.141 -4.272 -9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.511 -6.119 -11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.666 -6.649 -10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.056 -8.220 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.526 -9.096 -8.810 1.00 0.00 H new ATOM 1377 N VAL A 92 7.554 -3.439 -6.613 1.00 0.00 N ATOM 1378 CA VAL A 92 7.687 -2.180 -5.902 1.00 0.00 C ATOM 1379 C VAL A 92 8.783 -1.401 -6.604 1.00 0.00 C ATOM 1380 O VAL A 92 9.962 -1.724 -6.456 1.00 0.00 O ATOM 1381 CB VAL A 92 7.951 -2.437 -4.404 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.350 -1.168 -3.635 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.662 -2.940 -3.758 1.00 0.00 C ATOM 0 H VAL A 92 8.302 -4.101 -6.406 1.00 0.00 H new ATOM 0 HA VAL A 92 6.773 -1.587 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 92 8.769 -3.155 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.522 -1.416 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.263 -0.754 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.549 -0.432 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.835 -3.126 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.881 -2.189 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.349 -3.865 -4.242 1.00 0.00 H new ATOM 1393 N ASP A 93 8.383 -0.378 -7.357 1.00 0.00 N ATOM 1394 CA ASP A 93 9.304 0.514 -8.042 1.00 0.00 C ATOM 1395 C ASP A 93 9.048 1.929 -7.563 1.00 0.00 C ATOM 1396 O ASP A 93 8.172 2.637 -8.070 1.00 0.00 O ATOM 1397 CB ASP A 93 9.214 0.390 -9.567 1.00 0.00 C ATOM 1398 CG ASP A 93 10.618 0.226 -10.155 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.478 1.092 -9.873 1.00 0.00 O ATOM 1400 OD2 ASP A 93 10.863 -0.741 -10.911 1.00 0.00 O ATOM 0 H ASP A 93 7.401 -0.147 -7.507 1.00 0.00 H new ATOM 0 HA ASP A 93 10.327 0.230 -7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.594 -0.465 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.735 1.275 -9.986 1.00 0.00 H new ATOM 1405 N LEU A 94 9.767 2.337 -6.523 1.00 0.00 N ATOM 1406 CA LEU A 94 9.815 3.735 -6.138 1.00 0.00 C ATOM 1407 C LEU A 94 10.737 4.446 -7.112 1.00 0.00 C ATOM 1408 O LEU A 94 11.829 3.971 -7.419 1.00 0.00 O ATOM 1409 CB LEU A 94 10.278 3.856 -4.689 1.00 0.00 C ATOM 1410 CG LEU A 94 10.430 5.275 -4.129 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.078 5.958 -3.948 1.00 0.00 C ATOM 1412 CD2 LEU A 94 11.106 5.197 -2.759 1.00 0.00 C ATOM 0 H LEU A 94 10.323 1.717 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 94 8.831 4.201 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.570 3.316 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.238 3.349 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 94 11.024 5.853 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.228 6.961 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.571 6.022 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.468 5.379 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.219 6.202 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.494 4.599 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.088 4.735 -2.863 1.00 0.00 H new ATOM 1424 N THR A 95 10.270 5.590 -7.573 1.00 0.00 N ATOM 1425 CA THR A 95 11.040 6.551 -8.337 1.00 0.00 C ATOM 1426 C THR A 95 11.059 7.824 -7.471 1.00 0.00 C ATOM 1427 O THR A 95 10.415 7.869 -6.414 1.00 0.00 O ATOM 1428 CB THR A 95 10.421 6.690 -9.751 1.00 0.00 C ATOM 1429 OG1 THR A 95 11.404 7.081 -10.681 1.00 0.00 O ATOM 1430 CG2 THR A 95 9.308 7.735 -9.888 1.00 0.00 C ATOM 0 H THR A 95 9.306 5.887 -7.419 1.00 0.00 H new ATOM 0 HA THR A 95 12.073 6.266 -8.536 1.00 0.00 H new ATOM 0 HB THR A 95 9.999 5.702 -9.936 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.999 7.163 -11.570 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.947 7.749 -10.916 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.486 7.481 -9.218 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.698 8.719 -9.627 1.00 0.00 H new ATOM 1438 N ALA A 96 11.741 8.878 -7.928 1.00 0.00 N ATOM 1439 CA ALA A 96 12.286 9.994 -7.150 1.00 0.00 C ATOM 1440 C ALA A 96 11.397 10.641 -6.065 1.00 0.00 C ATOM 1441 O ALA A 96 11.937 11.288 -5.168 1.00 0.00 O ATOM 1442 CB ALA A 96 12.750 11.068 -8.139 1.00 0.00 C ATOM 0 H ALA A 96 11.941 8.981 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 96 13.087 9.548 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.162 11.915 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.516 10.653 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.903 11.402 -8.738 1.00 0.00 H new ATOM 1448 N ASN A 97 10.068 10.503 -6.114 1.00 0.00 N ATOM 1449 CA ASN A 97 9.150 10.742 -4.995 1.00 0.00 C ATOM 1450 C ASN A 97 7.791 10.048 -5.215 1.00 0.00 C ATOM 1451 O ASN A 97 6.837 10.318 -4.479 1.00 0.00 O ATOM 1452 CB ASN A 97 9.005 12.246 -4.660 1.00 0.00 C ATOM 1453 CG ASN A 97 9.232 13.198 -5.825 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.367 13.395 -6.673 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.413 13.789 -5.904 1.00 0.00 N ATOM 0 H ASN A 97 9.585 10.212 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 97 9.597 10.283 -4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.005 12.418 -4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.711 12.494 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.617 14.420 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.120 13.613 -5.190 1.00 0.00 H new ATOM 1462 N GLN A 98 7.673 9.107 -6.164 1.00 0.00 N ATOM 1463 CA GLN A 98 6.426 8.427 -6.525 1.00 0.00 C ATOM 1464 C GLN A 98 6.667 6.914 -6.553 1.00 0.00 C ATOM 1465 O GLN A 98 7.575 6.449 -7.235 1.00 0.00 O ATOM 1466 CB GLN A 98 5.934 8.934 -7.883 1.00 0.00 C ATOM 1467 CG GLN A 98 4.510 8.459 -8.191 1.00 0.00 C ATOM 1468 CD GLN A 98 4.090 8.833 -9.608 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.270 9.721 -9.819 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.637 8.182 -10.625 1.00 0.00 N ATOM 0 H GLN A 98 8.470 8.791 -6.717 1.00 0.00 H new ATOM 0 HA GLN A 98 5.655 8.643 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.964 10.024 -7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.609 8.588 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.451 7.378 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.816 8.900 -7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.319 7.444 -10.450 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.376 8.419 -11.582 1.00 0.00 H new ATOM 1479 N LEU A 99 5.882 6.151 -5.805 1.00 0.00 N ATOM 1480 CA LEU A 99 5.852 4.697 -5.809 1.00 0.00 C ATOM 1481 C LEU A 99 5.048 4.218 -7.017 1.00 0.00 C ATOM 1482 O LEU A 99 4.017 4.824 -7.331 1.00 0.00 O ATOM 1483 CB LEU A 99 5.113 4.245 -4.536 1.00 0.00 C ATOM 1484 CG LEU A 99 5.419 2.841 -3.993 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.900 2.643 -3.678 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.587 2.607 -2.723 1.00 0.00 C ATOM 0 H LEU A 99 5.215 6.551 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 99 6.864 4.294 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.333 4.965 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.042 4.303 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 99 5.158 2.120 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.059 1.634 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.487 2.786 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.212 3.368 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.797 1.613 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.847 3.356 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.527 2.686 -2.963 1.00 0.00 H new ATOM 1498 N THR A 100 5.399 3.063 -7.579 1.00 0.00 N ATOM 1499 CA THR A 100 4.431 2.235 -8.281 1.00 0.00 C ATOM 1500 C THR A 100 4.431 0.872 -7.596 1.00 0.00 C ATOM 1501 O THR A 100 5.500 0.297 -7.378 1.00 0.00 O ATOM 1502 CB THR A 100 4.770 2.134 -9.777 1.00 0.00 C ATOM 1503 OG1 THR A 100 4.989 3.415 -10.352 1.00 0.00 O ATOM 1504 CG2 THR A 100 3.605 1.490 -10.530 1.00 0.00 C ATOM 0 H THR A 100 6.345 2.683 -7.560 1.00 0.00 H new ATOM 0 HA THR A 100 3.434 2.674 -8.234 1.00 0.00 H new ATOM 0 HB THR A 100 5.677 1.536 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.204 3.314 -11.303 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.851 1.421 -11.590 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.423 0.491 -10.134 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.710 2.099 -10.404 1.00 0.00 H new ATOM 1512 N LEU A 101 3.244 0.377 -7.235 1.00 0.00 N ATOM 1513 CA LEU A 101 2.987 -1.027 -6.950 1.00 0.00 C ATOM 1514 C LEU A 101 2.293 -1.576 -8.182 1.00 0.00 C ATOM 1515 O LEU A 101 1.098 -1.333 -8.339 1.00 0.00 O ATOM 1516 CB LEU A 101 2.058 -1.168 -5.733 1.00 0.00 C ATOM 1517 CG LEU A 101 2.738 -1.288 -4.365 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.185 -2.719 -4.075 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.913 -0.336 -4.196 1.00 0.00 C ATOM 0 H LEU A 101 2.416 0.963 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 101 3.911 -1.560 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.393 -0.304 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.432 -2.048 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 101 1.976 -1.002 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.662 -2.760 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.318 -3.380 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.894 -3.040 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.351 -0.470 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.664 -0.547 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.567 0.692 -4.303 1.00 0.00 H new ATOM 1531 N ALA A 102 3.016 -2.273 -9.054 1.00 0.00 N ATOM 1532 CA ALA A 102 2.408 -3.058 -10.124 1.00 0.00 C ATOM 1533 C ALA A 102 2.260 -4.499 -9.624 1.00 0.00 C ATOM 1534 O ALA A 102 3.025 -4.947 -8.768 1.00 0.00 O ATOM 1535 CB ALA A 102 3.275 -2.971 -11.384 1.00 0.00 C ATOM 0 H ALA A 102 4.035 -2.310 -9.039 1.00 0.00 H new ATOM 0 HA ALA A 102 1.423 -2.673 -10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.819 -3.558 -12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.355 -1.931 -11.700 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.269 -3.362 -11.169 1.00 0.00 H new ATOM 1541 N THR A 103 1.273 -5.251 -10.102 1.00 0.00 N ATOM 1542 CA THR A 103 1.145 -6.681 -9.959 1.00 0.00 C ATOM 1543 C THR A 103 0.156 -7.178 -11.010 1.00 0.00 C ATOM 1544 O THR A 103 -0.486 -6.382 -11.696 1.00 0.00 O ATOM 1545 CB THR A 103 0.622 -7.058 -8.561 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.936 -6.115 -7.558 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.330 -8.336 -8.164 1.00 0.00 C ATOM 0 H THR A 103 0.500 -4.845 -10.629 1.00 0.00 H new ATOM 0 HA THR A 103 2.125 -7.140 -10.090 1.00 0.00 H new ATOM 0 HB THR A 103 -0.463 -7.130 -8.629 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.864 -5.820 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.993 -8.647 -7.175 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.102 -9.118 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.406 -8.164 -8.143 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.054 -8.495 -11.058 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.049 -9.113 -11.908 1.00 0.00 C ATOM 1557 C ALA A 104 -2.432 -8.474 -11.760 1.00 0.00 C ATOM 1558 O ALA A 104 -3.135 -8.345 -12.763 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.121 -10.619 -11.633 1.00 0.00 C ATOM 0 H ALA A 104 0.474 -9.163 -10.497 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.735 -8.948 -12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.873 -11.071 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.150 -11.072 -11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.391 -10.786 -10.590 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.825 -8.083 -10.538 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.112 -7.442 -10.282 1.00 0.00 C ATOM 1567 C LYS A 105 -4.271 -6.124 -11.035 1.00 0.00 C ATOM 1568 O LYS A 105 -5.127 -6.016 -11.915 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.341 -7.220 -8.776 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.768 -8.471 -8.004 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.280 -8.755 -8.025 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.787 -9.314 -9.356 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.904 -10.257 -9.150 1.00 0.00 N ATOM 0 H LYS A 105 -2.254 -8.205 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.871 -8.129 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.422 -6.834 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.104 -6.452 -8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.245 -9.333 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.446 -8.369 -6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.518 -9.462 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.816 -7.833 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.113 -8.495 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.972 -9.819 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.048 -10.818 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.680 -10.892 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.771 -9.726 -8.934 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.544 -5.104 -10.591 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.618 -3.714 -11.010 1.00 0.00 C ATOM 1589 C GLN A 106 -2.223 -3.123 -10.823 1.00 0.00 C ATOM 1590 O GLN A 106 -1.336 -3.762 -10.253 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.652 -2.930 -10.175 1.00 0.00 C ATOM 1592 CG GLN A 106 -6.105 -3.267 -10.541 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.105 -2.301 -9.907 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.025 -2.058 -8.612 1.00 0.00 O flip ATOM 1595 NE2 GLN A 106 -7.969 -1.734 -10.565 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.833 -5.242 -9.873 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.940 -3.647 -12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.492 -3.142 -9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.487 -1.862 -10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.219 -3.243 -11.625 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.332 -4.283 -10.219 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.045 -1.910 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.612 -1.086 -10.111 1.00 0.00 H new ATOM 1604 N THR A 107 -2.071 -1.866 -11.216 1.00 0.00 N ATOM 1605 CA THR A 107 -0.979 -1.016 -10.790 1.00 0.00 C ATOM 1606 C THR A 107 -1.602 0.106 -9.948 1.00 0.00 C ATOM 1607 O THR A 107 -2.781 0.425 -10.130 1.00 0.00 O ATOM 1608 CB THR A 107 -0.164 -0.611 -12.030 1.00 0.00 C ATOM 1609 OG1 THR A 107 1.094 -0.107 -11.667 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.885 0.400 -12.921 1.00 0.00 C ATOM 0 H THR A 107 -2.719 -1.403 -11.853 1.00 0.00 H new ATOM 0 HA THR A 107 -0.241 -1.493 -10.144 1.00 0.00 H new ATOM 0 HB THR A 107 -0.037 -1.524 -12.611 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.592 0.141 -12.474 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.256 0.644 -13.777 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.825 -0.028 -13.271 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.089 1.307 -12.351 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.879 0.640 -8.967 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.368 1.645 -8.029 1.00 0.00 C ATOM 1620 C LEU A 108 -0.231 2.631 -7.810 1.00 0.00 C ATOM 1621 O LEU A 108 0.874 2.229 -7.427 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.796 1.020 -6.685 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.901 -0.055 -6.741 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.095 -0.674 -5.354 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -4.256 0.501 -7.195 1.00 0.00 C ATOM 0 H LEU A 108 0.092 0.377 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.252 2.134 -8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.915 0.578 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.135 1.822 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.569 -0.794 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.877 -1.432 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.162 -1.134 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.384 0.103 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.991 -0.303 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.583 1.275 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.158 0.927 -8.194 1.00 0.00 H new ATOM 1637 N THR A 109 -0.495 3.906 -8.077 1.00 0.00 N ATOM 1638 CA THR A 109 0.463 4.970 -7.858 1.00 0.00 C ATOM 1639 C THR A 109 0.261 5.476 -6.431 1.00 0.00 C ATOM 1640 O THR A 109 -0.839 5.912 -6.061 1.00 0.00 O ATOM 1641 CB THR A 109 0.259 6.074 -8.902 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.232 5.520 -10.208 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.390 7.098 -8.847 1.00 0.00 C ATOM 0 H THR A 109 -1.387 4.226 -8.454 1.00 0.00 H new ATOM 0 HA THR A 109 1.489 4.619 -7.971 1.00 0.00 H new ATOM 0 HB THR A 109 -0.689 6.562 -8.676 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.099 6.236 -10.864 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.219 7.869 -9.598 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.419 7.555 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.340 6.602 -9.046 1.00 0.00 H new ATOM 1651 N TYR A 110 1.326 5.420 -5.633 1.00 0.00 N ATOM 1652 CA TYR A 110 1.345 5.973 -4.290 1.00 0.00 C ATOM 1653 C TYR A 110 2.336 7.133 -4.252 1.00 0.00 C ATOM 1654 O TYR A 110 3.253 7.205 -5.072 1.00 0.00 O ATOM 1655 CB TYR A 110 1.701 4.894 -3.263 1.00 0.00 C ATOM 1656 CG TYR A 110 0.745 3.716 -3.157 1.00 0.00 C ATOM 1657 CD1 TYR A 110 -0.316 3.832 -2.262 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.897 2.515 -3.879 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -1.226 2.792 -2.034 1.00 0.00 C ATOM 1660 CE2 TYR A 110 0.008 1.444 -3.643 1.00 0.00 C ATOM 1661 CZ TYR A 110 -1.044 1.569 -2.709 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.874 0.520 -2.462 1.00 0.00 O ATOM 0 H TYR A 110 2.206 4.984 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 110 0.354 6.344 -4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.692 4.509 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.771 5.366 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.442 4.759 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.688 2.415 -4.608 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -2.053 2.925 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.134 0.517 -4.183 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.478 0.747 -1.725 1.00 0.00 H new ATOM 1672 N LYS A 111 2.163 8.034 -3.286 1.00 0.00 N ATOM 1673 CA LYS A 111 2.921 9.273 -3.182 1.00 0.00 C ATOM 1674 C LYS A 111 3.621 9.314 -1.832 1.00 0.00 C ATOM 1675 O LYS A 111 3.020 8.963 -0.816 1.00 0.00 O ATOM 1676 CB LYS A 111 1.935 10.440 -3.337 1.00 0.00 C ATOM 1677 CG LYS A 111 2.484 11.695 -4.024 1.00 0.00 C ATOM 1678 CD LYS A 111 3.536 12.448 -3.201 1.00 0.00 C ATOM 1679 CE LYS A 111 3.433 13.961 -3.387 1.00 0.00 C ATOM 1680 NZ LYS A 111 3.622 14.391 -4.786 1.00 0.00 N ATOM 0 H LYS A 111 1.477 7.918 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 111 3.683 9.342 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.072 10.088 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.575 10.720 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.922 11.411 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.656 12.370 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.414 12.203 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.532 12.114 -3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.456 14.297 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.179 14.449 -2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.608 15.430 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.536 14.040 -5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.855 14.007 -5.374 1.00 0.00 H new ATOM 1694 N LEU A 112 4.854 9.816 -1.825 1.00 0.00 N ATOM 1695 CA LEU A 112 5.696 10.129 -0.678 1.00 0.00 C ATOM 1696 C LEU A 112 5.165 11.401 -0.005 1.00 0.00 C ATOM 1697 O LEU A 112 5.861 12.408 0.116 1.00 0.00 O ATOM 1698 CB LEU A 112 7.144 10.296 -1.190 1.00 0.00 C ATOM 1699 CG LEU A 112 8.218 10.505 -0.104 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.184 9.436 0.995 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.579 10.475 -0.812 1.00 0.00 C ATOM 0 H LEU A 112 5.329 10.032 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 112 5.682 9.335 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.408 9.412 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.173 11.146 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 112 8.031 11.455 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.965 9.642 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.212 9.451 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.351 8.454 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.373 10.620 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.711 9.512 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.621 11.272 -1.554 1.00 0.00 H new ATOM 1713 N ALA A 113 3.887 11.411 0.350 1.00 0.00 N ATOM 1714 CA ALA A 113 3.285 12.501 1.090 1.00 0.00 C ATOM 1715 C ALA A 113 3.381 12.094 2.550 1.00 0.00 C ATOM 1716 O ALA A 113 2.440 11.558 3.137 1.00 0.00 O ATOM 1717 CB ALA A 113 1.855 12.745 0.617 1.00 0.00 C ATOM 0 H ALA A 113 3.238 10.656 0.129 1.00 0.00 H new ATOM 0 HA ALA A 113 3.792 13.453 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.419 13.567 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.861 12.999 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.262 11.844 0.771 1.00 0.00 H new ATOM 1723 N ASP A 114 4.568 12.291 3.110 1.00 0.00 N ATOM 1724 CA ASP A 114 4.962 11.798 4.421 1.00 0.00 C ATOM 1725 C ASP A 114 4.564 12.798 5.493 1.00 0.00 C ATOM 1726 O ASP A 114 5.374 13.413 6.191 1.00 0.00 O ATOM 1727 CB ASP A 114 6.450 11.506 4.389 1.00 0.00 C ATOM 1728 CG ASP A 114 7.025 11.042 5.721 1.00 0.00 C ATOM 1729 OD1 ASP A 114 6.294 10.386 6.494 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.238 11.271 5.933 1.00 0.00 O ATOM 0 H ASP A 114 5.308 12.817 2.646 1.00 0.00 H new ATOM 0 HA ASP A 114 4.446 10.871 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.642 10.741 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.978 12.405 4.072 1.00 0.00 H new