USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 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 -167:sc=-0.00915 (180deg=-0.127) USER MOD Set 1.2: A 103 THR OG1 : rot -110:sc= -0.897 USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 66 THR OG1 : rot -83:sc= 1.26 USER MOD Set 3.2: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 3 THR OG1 : rot -60:sc= 0.0617 USER MOD Set 4.2: A 6 GLN : amide:sc= -1.98 K(o=-1.9,f=-0.69) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0708 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2! K(o=-2!,f=-0.11) USER MOD Single : A 9 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.23) USER MOD Single : A 10 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.0086) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0406 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 32 SER OG : rot 140:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 170:sc= 0 (180deg=-0.0437) USER MOD Single : A 38 MET CE :methyl -172:sc= -0.047 (180deg=-0.238) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0013 USER MOD Single : A 43 MET CE :methyl 169:sc= -0.0201 (180deg=-0.33) USER MOD Single : A 45 ASN : amide:sc= -0.58 K(o=-0.58,f=0.2) USER MOD Single : A 48 SER OG : rot -170:sc= 0.0452 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 X(o=0,f=-0.072) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -165:sc= -0.619 (180deg=-1.33) USER MOD Single : A 69 MET CE :methyl -130:sc= -0.227 (180deg=-1.11) USER MOD Single : A 72 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.7) USER MOD Single : A 74 GLN : amide:sc= 0.67 K(o=0.67,f=-0.44) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.16 K(o=1.2,f=-0.56) USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.75 USER MOD Single : A 91 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.73) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 97 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.786 K(o=-0.79,f=0) USER MOD Single : A 107 THR OG1 : rot 44:sc= 1.22 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -172:sc=-0.00108 (180deg=-0.0638) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.254 1.467 -8.532 1.00 0.00 N ATOM 2 CA MET A 1 17.395 0.393 -8.056 1.00 0.00 C ATOM 3 C MET A 1 16.924 0.748 -6.645 1.00 0.00 C ATOM 4 O MET A 1 17.671 1.358 -5.875 1.00 0.00 O ATOM 5 CB MET A 1 18.155 -0.946 -8.105 1.00 0.00 C ATOM 6 CG MET A 1 17.354 -2.120 -7.530 1.00 0.00 C ATOM 7 SD MET A 1 17.892 -3.763 -8.086 1.00 0.00 S ATOM 8 CE MET A 1 18.568 -4.405 -6.531 1.00 0.00 C ATOM 0 H1 MET A 1 19.001 1.071 -9.137 1.00 0.00 H new ATOM 0 H2 MET A 1 17.689 2.147 -9.080 1.00 0.00 H new ATOM 0 H3 MET A 1 18.687 1.951 -7.720 1.00 0.00 H new ATOM 0 HA MET A 1 16.518 0.279 -8.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.420 -1.168 -9.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.089 -0.846 -7.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.415 -2.083 -6.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.305 -1.989 -7.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.947 -5.415 -6.688 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.380 -3.761 -6.194 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.784 -4.426 -5.774 1.00 0.00 H new ATOM 18 N VAL A 2 15.692 0.372 -6.322 1.00 0.00 N ATOM 19 CA VAL A 2 15.067 0.613 -5.030 1.00 0.00 C ATOM 20 C VAL A 2 15.860 -0.102 -3.925 1.00 0.00 C ATOM 21 O VAL A 2 16.534 -1.104 -4.194 1.00 0.00 O ATOM 22 CB VAL A 2 13.593 0.161 -5.155 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.812 0.085 -3.838 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.851 1.126 -6.089 1.00 0.00 C ATOM 0 H VAL A 2 15.083 -0.124 -6.973 1.00 0.00 H new ATOM 0 HA VAL A 2 15.075 1.665 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 2 13.640 -0.857 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.792 -0.241 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.296 -0.626 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.793 1.069 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.811 0.814 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.892 2.134 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 2 13.322 1.116 -7.072 1.00 0.00 H new ATOM 34 N THR A 3 15.757 0.365 -2.675 1.00 0.00 N ATOM 35 CA THR A 3 16.300 -0.365 -1.531 1.00 0.00 C ATOM 36 C THR A 3 15.307 -0.425 -0.368 1.00 0.00 C ATOM 37 O THR A 3 14.320 0.308 -0.366 1.00 0.00 O ATOM 38 CB THR A 3 17.650 0.217 -1.092 1.00 0.00 C ATOM 39 OG1 THR A 3 17.536 1.555 -0.651 1.00 0.00 O ATOM 40 CG2 THR A 3 18.718 0.142 -2.181 1.00 0.00 C ATOM 0 H THR A 3 15.302 1.245 -2.433 1.00 0.00 H new ATOM 0 HA THR A 3 16.472 -1.392 -1.853 1.00 0.00 H new ATOM 0 HB THR A 3 17.967 -0.411 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.186 2.110 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.649 0.570 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.882 -0.899 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 3 18.386 0.702 -3.055 1.00 0.00 H new ATOM 48 N PRO A 4 15.529 -1.294 0.633 1.00 0.00 N ATOM 49 CA PRO A 4 14.757 -1.298 1.871 1.00 0.00 C ATOM 50 C PRO A 4 14.906 -0.026 2.691 1.00 0.00 C ATOM 51 O PRO A 4 13.967 0.386 3.378 1.00 0.00 O ATOM 52 CB PRO A 4 15.299 -2.496 2.647 1.00 0.00 C ATOM 53 CG PRO A 4 16.676 -2.777 2.066 1.00 0.00 C ATOM 54 CD PRO A 4 16.439 -2.433 0.611 1.00 0.00 C ATOM 0 HA PRO A 4 13.690 -1.357 1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 4 15.362 -2.276 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.645 -3.361 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 4 17.450 -2.157 2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.979 -3.815 2.202 1.00 0.00 H new ATOM 0 HD2 PRO A 4 17.373 -2.182 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 4 16.004 -3.275 0.073 1.00 0.00 H new ATOM 62 N GLU A 5 16.103 0.542 2.682 1.00 0.00 N ATOM 63 CA GLU A 5 16.461 1.659 3.541 1.00 0.00 C ATOM 64 C GLU A 5 15.518 2.845 3.325 1.00 0.00 C ATOM 65 O GLU A 5 14.951 3.370 4.283 1.00 0.00 O ATOM 66 CB GLU A 5 17.919 2.061 3.273 1.00 0.00 C ATOM 67 CG GLU A 5 18.414 2.993 4.390 1.00 0.00 C ATOM 68 CD GLU A 5 19.823 3.530 4.156 1.00 0.00 C ATOM 69 OE1 GLU A 5 20.614 2.890 3.430 1.00 0.00 O ATOM 70 OE2 GLU A 5 20.189 4.592 4.703 1.00 0.00 O ATOM 0 H GLU A 5 16.861 0.236 2.071 1.00 0.00 H new ATOM 0 HA GLU A 5 16.361 1.351 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.548 1.172 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.997 2.561 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.725 3.832 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.392 2.455 5.338 1.00 0.00 H new ATOM 77 N GLN A 6 15.321 3.215 2.060 1.00 0.00 N ATOM 78 CA GLN A 6 14.505 4.327 1.578 1.00 0.00 C ATOM 79 C GLN A 6 12.993 4.142 1.780 1.00 0.00 C ATOM 80 O GLN A 6 12.212 4.867 1.155 1.00 0.00 O ATOM 81 CB GLN A 6 14.874 4.588 0.104 1.00 0.00 C ATOM 82 CG GLN A 6 14.612 3.408 -0.835 1.00 0.00 C ATOM 83 CD GLN A 6 15.152 3.663 -2.235 1.00 0.00 C ATOM 84 OE1 GLN A 6 16.331 3.935 -2.419 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.330 3.543 -3.260 1.00 0.00 N ATOM 0 H GLN A 6 15.759 2.709 1.291 1.00 0.00 H new ATOM 0 HA GLN A 6 14.734 5.202 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 6 14.310 5.451 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.930 4.853 0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.074 2.510 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.540 3.218 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.348 3.316 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.676 3.677 -4.210 1.00 0.00 H new ATOM 94 N LEU A 7 12.574 3.176 2.604 1.00 0.00 N ATOM 95 CA LEU A 7 11.186 2.758 2.745 1.00 0.00 C ATOM 96 C LEU A 7 10.775 2.595 4.202 1.00 0.00 C ATOM 97 O LEU A 7 9.755 3.156 4.593 1.00 0.00 O ATOM 98 CB LEU A 7 10.963 1.420 2.053 1.00 0.00 C ATOM 99 CG LEU A 7 11.297 1.378 0.546 1.00 0.00 C ATOM 100 CD1 LEU A 7 11.213 -0.054 0.023 1.00 0.00 C ATOM 101 CD2 LEU A 7 10.367 2.236 -0.319 1.00 0.00 C ATOM 0 H LEU A 7 13.212 2.653 3.204 1.00 0.00 H new ATOM 0 HA LEU A 7 10.583 3.543 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.564 0.666 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.919 1.135 2.182 1.00 0.00 H new ATOM 0 HG LEU A 7 12.306 1.781 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.451 -0.067 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.924 -0.680 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.204 -0.438 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.665 2.155 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.341 1.887 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.433 3.277 -0.003 1.00 0.00 H new ATOM 113 N GLN A 8 11.570 1.870 4.998 1.00 0.00 N ATOM 114 CA GLN A 8 11.334 1.444 6.381 1.00 0.00 C ATOM 115 C GLN A 8 10.955 2.517 7.407 1.00 0.00 C ATOM 116 O GLN A 8 10.740 2.163 8.560 1.00 0.00 O ATOM 117 CB GLN A 8 12.606 0.700 6.834 1.00 0.00 C ATOM 118 CG GLN A 8 12.404 -0.824 6.746 1.00 0.00 C ATOM 119 CD GLN A 8 13.659 -1.651 6.453 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.690 -2.864 6.643 1.00 0.00 O ATOM 121 NE2 GLN A 8 14.688 -1.063 5.870 1.00 0.00 N ATOM 0 H GLN A 8 12.473 1.538 4.660 1.00 0.00 H new ATOM 0 HA GLN A 8 10.436 0.826 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.449 0.997 6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.853 0.981 7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.977 -1.169 7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.668 -1.029 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.675 -0.056 5.706 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.496 -1.616 5.583 1.00 0.00 H new ATOM 130 N HIS A 9 10.874 3.794 7.043 1.00 0.00 N ATOM 131 CA HIS A 9 10.366 4.847 7.926 1.00 0.00 C ATOM 132 C HIS A 9 9.561 5.899 7.150 1.00 0.00 C ATOM 133 O HIS A 9 9.275 6.970 7.691 1.00 0.00 O ATOM 134 CB HIS A 9 11.532 5.502 8.686 1.00 0.00 C ATOM 135 CG HIS A 9 12.357 4.551 9.520 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.060 4.112 10.795 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.535 3.963 9.142 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.042 3.281 11.179 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.975 3.177 10.214 1.00 0.00 N ATOM 0 H HIS A 9 11.159 4.132 6.124 1.00 0.00 H new ATOM 0 HA HIS A 9 9.687 4.388 8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.186 5.993 7.966 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.132 6.280 9.336 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.033 4.084 8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.078 2.768 12.129 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.836 2.631 10.256 1.00 0.00 H new ATOM 147 N HIS A 10 9.232 5.638 5.883 1.00 0.00 N ATOM 148 CA HIS A 10 8.701 6.611 4.945 1.00 0.00 C ATOM 149 C HIS A 10 7.225 6.299 4.704 1.00 0.00 C ATOM 150 O HIS A 10 6.888 5.233 4.180 1.00 0.00 O ATOM 151 CB HIS A 10 9.527 6.596 3.647 1.00 0.00 C ATOM 152 CG HIS A 10 10.992 6.934 3.834 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.559 8.179 3.704 1.00 0.00 N ATOM 154 CD2 HIS A 10 12.000 6.069 4.166 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.879 8.057 3.920 1.00 0.00 C ATOM 156 NE2 HIS A 10 13.202 6.783 4.206 1.00 0.00 N ATOM 0 H HIS A 10 9.334 4.709 5.474 1.00 0.00 H new ATOM 0 HA HIS A 10 8.774 7.620 5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.450 5.608 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.090 7.305 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.886 5.013 4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.586 8.872 3.871 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.131 6.414 4.410 1.00 0.00 H new ATOM 164 N ARG A 11 6.338 7.212 5.109 1.00 0.00 N ATOM 165 CA ARG A 11 4.919 7.153 4.752 1.00 0.00 C ATOM 166 C ARG A 11 4.800 7.466 3.268 1.00 0.00 C ATOM 167 O ARG A 11 5.437 8.394 2.765 1.00 0.00 O ATOM 168 CB ARG A 11 4.103 8.148 5.604 1.00 0.00 C ATOM 169 CG ARG A 11 2.695 8.503 5.063 1.00 0.00 C ATOM 170 CD ARG A 11 2.026 9.650 5.851 1.00 0.00 C ATOM 171 NE ARG A 11 0.774 9.252 6.519 1.00 0.00 N ATOM 172 CZ ARG A 11 0.677 8.356 7.505 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.762 7.914 8.120 1.00 0.00 N ATOM 174 NH2 ARG A 11 -0.490 7.883 7.911 1.00 0.00 N ATOM 0 H ARG A 11 6.583 8.012 5.693 1.00 0.00 H new ATOM 0 HA ARG A 11 4.516 6.160 4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.993 7.734 6.606 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.677 9.069 5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.774 8.787 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.060 7.618 5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.725 10.022 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.819 10.475 5.170 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.088 9.697 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.681 8.258 7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.679 7.230 8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.352 8.202 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.528 7.199 8.667 1.00 0.00 H new ATOM 188 N PHE A 12 3.887 6.764 2.613 1.00 0.00 N ATOM 189 CA PHE A 12 3.333 7.101 1.323 1.00 0.00 C ATOM 190 C PHE A 12 1.807 7.140 1.462 1.00 0.00 C ATOM 191 O PHE A 12 1.234 6.641 2.432 1.00 0.00 O ATOM 192 CB PHE A 12 3.787 6.054 0.296 1.00 0.00 C ATOM 193 CG PHE A 12 5.208 6.214 -0.207 1.00 0.00 C ATOM 194 CD1 PHE A 12 6.295 5.802 0.583 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.445 6.757 -1.484 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.608 5.957 0.108 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.758 6.925 -1.953 1.00 0.00 C ATOM 198 CZ PHE A 12 7.841 6.521 -1.155 1.00 0.00 C ATOM 0 H PHE A 12 3.497 5.901 2.992 1.00 0.00 H new ATOM 0 HA PHE A 12 3.679 8.075 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.686 5.064 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.111 6.090 -0.558 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.121 5.366 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.612 7.046 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.441 5.641 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.934 7.363 -2.924 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.852 6.645 -1.514 1.00 0.00 H new ATOM 208 N VAL A 13 1.123 7.732 0.484 1.00 0.00 N ATOM 209 CA VAL A 13 -0.335 7.879 0.471 1.00 0.00 C ATOM 210 C VAL A 13 -0.828 7.491 -0.912 1.00 0.00 C ATOM 211 O VAL A 13 -0.082 7.693 -1.876 1.00 0.00 O ATOM 212 CB VAL A 13 -0.762 9.315 0.838 1.00 0.00 C ATOM 213 CG1 VAL A 13 -2.252 9.388 1.197 1.00 0.00 C ATOM 214 CG2 VAL A 13 0.038 9.829 2.028 1.00 0.00 C ATOM 0 H VAL A 13 1.574 8.132 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.781 7.228 1.223 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.571 9.932 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.515 10.415 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.848 9.060 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.453 8.741 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.280 10.843 2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.132 9.181 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.099 9.831 1.780 1.00 0.00 H new ATOM 224 N LEU A 14 -2.029 6.903 -1.009 1.00 0.00 N ATOM 225 CA LEU A 14 -2.546 6.404 -2.273 1.00 0.00 C ATOM 226 C LEU A 14 -3.004 7.577 -3.131 1.00 0.00 C ATOM 227 O LEU A 14 -4.136 8.044 -3.009 1.00 0.00 O ATOM 228 CB LEU A 14 -3.661 5.354 -2.054 1.00 0.00 C ATOM 229 CG LEU A 14 -4.225 4.691 -3.334 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.157 4.093 -4.256 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.155 3.544 -2.912 1.00 0.00 C ATOM 0 H LEU A 14 -2.657 6.765 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.751 5.885 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.273 4.571 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.484 5.832 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.732 5.479 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.637 3.649 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.473 4.878 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.600 3.326 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.564 3.062 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.592 2.814 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.970 3.940 -2.306 1.00 0.00 H new ATOM 243 N GLU A 15 -2.096 8.086 -3.955 1.00 0.00 N ATOM 244 CA GLU A 15 -2.312 9.241 -4.812 1.00 0.00 C ATOM 245 C GLU A 15 -3.355 8.899 -5.877 1.00 0.00 C ATOM 246 O GLU A 15 -4.242 9.711 -6.165 1.00 0.00 O ATOM 247 CB GLU A 15 -0.964 9.642 -5.444 1.00 0.00 C ATOM 248 CG GLU A 15 -0.681 11.144 -5.360 1.00 0.00 C ATOM 249 CD GLU A 15 -1.616 12.012 -6.199 1.00 0.00 C ATOM 250 OE1 GLU A 15 -1.428 12.048 -7.437 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.467 12.714 -5.597 1.00 0.00 O ATOM 0 H GLU A 15 -1.160 7.692 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.692 10.085 -4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.161 9.099 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.955 9.335 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.753 11.457 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.346 11.326 -5.678 1.00 0.00 H new ATOM 258 N SER A 16 -3.249 7.695 -6.449 1.00 0.00 N ATOM 259 CA SER A 16 -4.077 7.264 -7.557 1.00 0.00 C ATOM 260 C SER A 16 -4.052 5.742 -7.706 1.00 0.00 C ATOM 261 O SER A 16 -3.078 5.072 -7.356 1.00 0.00 O ATOM 262 CB SER A 16 -3.601 7.952 -8.852 1.00 0.00 C ATOM 263 OG SER A 16 -2.282 8.487 -8.790 1.00 0.00 O ATOM 0 H SER A 16 -2.575 6.992 -6.145 1.00 0.00 H new ATOM 0 HA SER A 16 -5.109 7.553 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.649 7.232 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.294 8.757 -9.096 1.00 0.00 H new ATOM 0 HG SER A 16 -2.057 8.903 -9.648 1.00 0.00 H new ATOM 269 N VAL A 17 -5.126 5.186 -8.261 1.00 0.00 N ATOM 270 CA VAL A 17 -5.297 3.756 -8.480 1.00 0.00 C ATOM 271 C VAL A 17 -5.391 3.543 -9.991 1.00 0.00 C ATOM 272 O VAL A 17 -5.713 4.482 -10.726 1.00 0.00 O ATOM 273 CB VAL A 17 -6.559 3.255 -7.730 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.506 1.763 -7.392 1.00 0.00 C ATOM 275 CG2 VAL A 17 -6.797 3.970 -6.392 1.00 0.00 C ATOM 0 H VAL A 17 -5.924 5.736 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.458 3.181 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.362 3.471 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.418 1.476 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.418 1.184 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.644 1.565 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.695 3.571 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.941 3.809 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.924 5.038 -6.568 1.00 0.00 H new ATOM 285 N ASN A 18 -5.168 2.309 -10.456 1.00 0.00 N ATOM 286 CA ASN A 18 -5.291 1.953 -11.867 1.00 0.00 C ATOM 287 C ASN A 18 -6.626 2.400 -12.452 1.00 0.00 C ATOM 288 O ASN A 18 -6.677 2.885 -13.581 1.00 0.00 O ATOM 289 CB ASN A 18 -5.160 0.439 -12.039 1.00 0.00 C ATOM 290 CG ASN A 18 -5.340 0.066 -13.493 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.428 0.234 -14.297 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.494 -0.455 -13.860 1.00 0.00 N ATOM 0 H ASN A 18 -4.896 1.528 -9.859 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.491 2.467 -12.400 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.182 0.108 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.906 -0.070 -11.429 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.644 -0.729 -14.831 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.237 -0.585 -13.173 1.00 0.00 H new ATOM 299 N GLY A 19 -7.695 2.202 -11.680 1.00 0.00 N ATOM 300 CA GLY A 19 -9.025 2.665 -12.007 1.00 0.00 C ATOM 301 C GLY A 19 -9.047 4.188 -12.085 1.00 0.00 C ATOM 302 O GLY A 19 -9.200 4.739 -13.174 1.00 0.00 O ATOM 0 H GLY A 19 -7.649 1.703 -10.792 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.342 2.240 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.733 2.322 -11.253 1.00 0.00 H new ATOM 306 N LYS A 20 -8.969 4.864 -10.940 1.00 0.00 N ATOM 307 CA LYS A 20 -9.139 6.296 -10.724 1.00 0.00 C ATOM 308 C LYS A 20 -8.613 6.639 -9.335 1.00 0.00 C ATOM 309 O LYS A 20 -8.318 5.709 -8.583 1.00 0.00 O ATOM 310 CB LYS A 20 -10.624 6.689 -10.864 1.00 0.00 C ATOM 311 CG LYS A 20 -10.833 7.219 -12.283 1.00 0.00 C ATOM 312 CD LYS A 20 -11.948 8.249 -12.391 1.00 0.00 C ATOM 313 CE LYS A 20 -11.964 8.764 -13.829 1.00 0.00 C ATOM 314 NZ LYS A 20 -13.307 9.197 -14.239 1.00 0.00 N ATOM 0 H LYS A 20 -8.768 4.380 -10.065 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.580 6.856 -11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.266 5.828 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.889 7.449 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.903 7.664 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.057 6.382 -12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.908 7.802 -12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.781 9.069 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.269 9.598 -13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.615 7.979 -14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.277 9.540 -15.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.966 8.395 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.630 9.963 -13.615 1.00 0.00 H new ATOM 328 N PRO A 21 -8.408 7.919 -8.983 1.00 0.00 N ATOM 329 CA PRO A 21 -8.065 8.266 -7.612 1.00 0.00 C ATOM 330 C PRO A 21 -9.160 7.797 -6.644 1.00 0.00 C ATOM 331 O PRO A 21 -10.250 7.362 -7.034 1.00 0.00 O ATOM 332 CB PRO A 21 -7.849 9.784 -7.612 1.00 0.00 C ATOM 333 CG PRO A 21 -8.703 10.270 -8.780 1.00 0.00 C ATOM 334 CD PRO A 21 -8.622 9.120 -9.783 1.00 0.00 C ATOM 0 HA PRO A 21 -7.161 7.767 -7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.165 10.234 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.798 10.039 -7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.731 10.463 -8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.316 11.198 -9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.539 9.044 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.806 9.272 -10.489 1.00 0.00 H new ATOM 342 N VAL A 22 -8.845 7.868 -5.357 1.00 0.00 N ATOM 343 CA VAL A 22 -9.775 7.574 -4.271 1.00 0.00 C ATOM 344 C VAL A 22 -10.171 8.910 -3.646 1.00 0.00 C ATOM 345 O VAL A 22 -9.474 9.904 -3.848 1.00 0.00 O ATOM 346 CB VAL A 22 -9.135 6.599 -3.257 1.00 0.00 C ATOM 347 CG1 VAL A 22 -10.206 5.907 -2.406 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.322 5.490 -3.939 1.00 0.00 C ATOM 0 H VAL A 22 -7.917 8.137 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.671 7.070 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.477 7.212 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.727 5.227 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.775 6.657 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.878 5.344 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.895 4.834 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.973 4.912 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.520 5.936 -4.527 1.00 0.00 H new ATOM 358 N THR A 23 -11.260 8.956 -2.885 1.00 0.00 N ATOM 359 CA THR A 23 -11.837 10.183 -2.350 1.00 0.00 C ATOM 360 C THR A 23 -12.231 9.940 -0.897 1.00 0.00 C ATOM 361 O THR A 23 -13.370 9.590 -0.580 1.00 0.00 O ATOM 362 CB THR A 23 -13.016 10.628 -3.226 1.00 0.00 C ATOM 363 OG1 THR A 23 -13.643 9.527 -3.884 1.00 0.00 O ATOM 364 CG2 THR A 23 -12.547 11.593 -4.311 1.00 0.00 C ATOM 0 H THR A 23 -11.778 8.119 -2.617 1.00 0.00 H new ATOM 0 HA THR A 23 -11.114 10.998 -2.367 1.00 0.00 H new ATOM 0 HB THR A 23 -13.728 11.107 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.389 9.854 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.398 11.896 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.101 12.473 -3.847 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.807 11.100 -4.941 1.00 0.00 H new ATOM 372 N SER A 24 -11.240 10.026 -0.021 1.00 0.00 N ATOM 373 CA SER A 24 -11.340 9.750 1.403 1.00 0.00 C ATOM 374 C SER A 24 -10.750 10.944 2.134 1.00 0.00 C ATOM 375 O SER A 24 -9.531 11.099 2.202 1.00 0.00 O ATOM 376 CB SER A 24 -10.611 8.456 1.776 1.00 0.00 C ATOM 377 OG SER A 24 -11.310 7.293 1.363 1.00 0.00 O ATOM 0 H SER A 24 -10.299 10.304 -0.299 1.00 0.00 H new ATOM 0 HA SER A 24 -12.382 9.604 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.620 8.459 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.467 8.424 2.856 1.00 0.00 H new ATOM 0 HG SER A 24 -10.802 6.496 1.623 1.00 0.00 H new ATOM 383 N ASP A 25 -11.627 11.810 2.627 1.00 0.00 N ATOM 384 CA ASP A 25 -11.302 13.092 3.262 1.00 0.00 C ATOM 385 C ASP A 25 -10.748 12.911 4.677 1.00 0.00 C ATOM 386 O ASP A 25 -10.217 13.850 5.265 1.00 0.00 O ATOM 387 CB ASP A 25 -12.569 13.948 3.408 1.00 0.00 C ATOM 388 CG ASP A 25 -13.590 13.739 2.299 1.00 0.00 C ATOM 389 OD1 ASP A 25 -13.464 14.375 1.232 1.00 0.00 O ATOM 390 OD2 ASP A 25 -14.458 12.848 2.464 1.00 0.00 O ATOM 0 H ASP A 25 -12.631 11.634 2.596 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.557 13.566 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.038 13.724 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.284 15.000 3.431 1.00 0.00 H new ATOM 395 N LYS A 26 -10.941 11.723 5.250 1.00 0.00 N ATOM 396 CA LYS A 26 -10.605 11.357 6.610 1.00 0.00 C ATOM 397 C LYS A 26 -10.132 9.914 6.544 1.00 0.00 C ATOM 398 O LYS A 26 -10.794 9.101 5.892 1.00 0.00 O ATOM 399 CB LYS A 26 -11.848 11.497 7.491 1.00 0.00 C ATOM 400 CG LYS A 26 -11.470 11.456 8.975 1.00 0.00 C ATOM 401 CD LYS A 26 -12.739 11.304 9.809 1.00 0.00 C ATOM 402 CE LYS A 26 -12.456 11.611 11.281 1.00 0.00 C ATOM 403 NZ LYS A 26 -12.703 13.027 11.607 1.00 0.00 N ATOM 0 H LYS A 26 -11.363 10.948 4.738 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.832 11.995 7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.355 12.435 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.550 10.694 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.792 10.625 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.943 12.369 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.510 11.977 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.126 10.290 9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.083 10.979 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.420 11.361 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.499 13.192 12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.087 13.630 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.698 13.260 11.413 1.00 0.00 H new ATOM 417 N ASN A 27 -9.051 9.590 7.247 1.00 0.00 N ATOM 418 CA ASN A 27 -8.452 8.255 7.334 1.00 0.00 C ATOM 419 C ASN A 27 -8.363 7.599 5.936 1.00 0.00 C ATOM 420 O ASN A 27 -9.057 6.607 5.675 1.00 0.00 O ATOM 421 CB ASN A 27 -9.200 7.356 8.348 1.00 0.00 C ATOM 422 CG ASN A 27 -9.391 7.952 9.736 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.578 8.731 10.229 1.00 0.00 O ATOM 424 ND2 ASN A 27 -10.476 7.599 10.405 1.00 0.00 N ATOM 0 H ASN A 27 -8.542 10.281 7.799 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.435 8.370 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.180 7.113 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.654 6.418 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.644 7.974 11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.145 6.952 9.987 1.00 0.00 H new ATOM 431 N PRO A 28 -7.539 8.132 5.015 1.00 0.00 N ATOM 432 CA PRO A 28 -7.429 7.649 3.640 1.00 0.00 C ATOM 433 C PRO A 28 -6.851 6.234 3.554 1.00 0.00 C ATOM 434 O PRO A 28 -6.373 5.702 4.561 1.00 0.00 O ATOM 435 CB PRO A 28 -6.495 8.639 2.936 1.00 0.00 C ATOM 436 CG PRO A 28 -5.648 9.204 4.066 1.00 0.00 C ATOM 437 CD PRO A 28 -6.638 9.251 5.220 1.00 0.00 C ATOM 0 HA PRO A 28 -8.416 7.592 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.880 8.144 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.054 9.423 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.792 8.568 4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.256 10.192 3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.125 9.169 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.183 10.195 5.229 1.00 0.00 H new ATOM 445 N PRO A 29 -6.812 5.618 2.358 1.00 0.00 N ATOM 446 CA PRO A 29 -5.882 4.540 2.103 1.00 0.00 C ATOM 447 C PRO A 29 -4.470 5.137 1.975 1.00 0.00 C ATOM 448 O PRO A 29 -4.063 5.611 0.915 1.00 0.00 O ATOM 449 CB PRO A 29 -6.378 3.850 0.836 1.00 0.00 C ATOM 450 CG PRO A 29 -7.100 4.957 0.072 1.00 0.00 C ATOM 451 CD PRO A 29 -7.521 5.971 1.132 1.00 0.00 C ATOM 0 HA PRO A 29 -5.828 3.801 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.552 3.438 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.048 3.022 1.068 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.446 5.413 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.965 4.566 -0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.270 6.984 0.819 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.600 5.943 1.287 1.00 0.00 H new ATOM 459 N GLU A 30 -3.713 5.172 3.064 1.00 0.00 N ATOM 460 CA GLU A 30 -2.280 5.468 3.018 1.00 0.00 C ATOM 461 C GLU A 30 -1.482 4.162 3.059 1.00 0.00 C ATOM 462 O GLU A 30 -2.065 3.080 3.165 1.00 0.00 O ATOM 463 CB GLU A 30 -1.921 6.455 4.136 1.00 0.00 C ATOM 464 CG GLU A 30 -1.902 5.843 5.537 1.00 0.00 C ATOM 465 CD GLU A 30 -3.011 6.344 6.454 1.00 0.00 C ATOM 466 OE1 GLU A 30 -2.975 7.523 6.875 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.850 5.500 6.854 1.00 0.00 O ATOM 0 H GLU A 30 -4.070 4.997 4.003 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.014 5.958 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.940 6.882 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.636 7.277 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.981 4.759 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.939 6.056 6.001 1.00 0.00 H new ATOM 474 N ILE A 31 -0.157 4.209 2.979 1.00 0.00 N ATOM 475 CA ILE A 31 0.661 3.030 3.197 1.00 0.00 C ATOM 476 C ILE A 31 1.970 3.506 3.828 1.00 0.00 C ATOM 477 O ILE A 31 2.736 4.239 3.206 1.00 0.00 O ATOM 478 CB ILE A 31 0.824 2.226 1.879 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.428 0.850 2.209 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.603 2.956 0.772 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.697 -0.040 1.003 1.00 0.00 C ATOM 0 H ILE A 31 0.371 5.055 2.764 1.00 0.00 H new ATOM 0 HA ILE A 31 0.196 2.322 3.883 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.170 2.103 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.364 1.000 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.752 0.326 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.666 2.318 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.088 3.881 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.608 3.187 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.122 -0.987 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.763 -0.228 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.399 0.457 0.334 1.00 0.00 H new ATOM 493 N SER A 32 2.217 3.118 5.071 1.00 0.00 N ATOM 494 CA SER A 32 3.478 3.402 5.746 1.00 0.00 C ATOM 495 C SER A 32 4.180 2.092 6.047 1.00 0.00 C ATOM 496 O SER A 32 3.528 1.042 6.119 1.00 0.00 O ATOM 497 CB SER A 32 3.229 4.174 7.039 1.00 0.00 C ATOM 498 OG SER A 32 2.412 5.299 6.808 1.00 0.00 O ATOM 0 H SER A 32 1.550 2.598 5.641 1.00 0.00 H new ATOM 0 HA SER A 32 4.105 4.016 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.755 3.520 7.771 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.180 4.493 7.465 1.00 0.00 H new ATOM 0 HG SER A 32 1.773 5.396 7.544 1.00 0.00 H new ATOM 504 N PHE A 33 5.489 2.163 6.267 1.00 0.00 N ATOM 505 CA PHE A 33 6.280 1.013 6.652 1.00 0.00 C ATOM 506 C PHE A 33 7.119 1.392 7.858 1.00 0.00 C ATOM 507 O PHE A 33 7.403 2.578 8.045 1.00 0.00 O ATOM 508 CB PHE A 33 7.135 0.515 5.481 1.00 0.00 C ATOM 509 CG PHE A 33 6.384 0.321 4.172 1.00 0.00 C ATOM 510 CD1 PHE A 33 6.214 1.414 3.302 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.898 -0.944 3.791 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.541 1.259 2.077 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.246 -1.109 2.551 1.00 0.00 C ATOM 514 CZ PHE A 33 5.060 -0.005 1.696 1.00 0.00 C ATOM 0 H PHE A 33 6.027 3.025 6.181 1.00 0.00 H new ATOM 0 HA PHE A 33 5.628 0.182 6.923 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.946 1.225 5.315 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.594 -0.433 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.605 2.382 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.025 -1.790 4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.394 2.111 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.888 -2.085 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.550 -0.130 0.752 1.00 0.00 H new ATOM 524 N GLY A 34 7.467 0.413 8.691 1.00 0.00 N ATOM 525 CA GLY A 34 8.420 0.585 9.783 1.00 0.00 C ATOM 526 C GLY A 34 9.615 -0.320 9.561 1.00 0.00 C ATOM 527 O GLY A 34 9.687 -1.057 8.579 1.00 0.00 O ATOM 0 H GLY A 34 7.090 -0.533 8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.743 1.625 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.944 0.349 10.735 1.00 0.00 H new ATOM 531 N GLU A 35 10.533 -0.269 10.514 1.00 0.00 N ATOM 532 CA GLU A 35 11.941 -0.639 10.443 1.00 0.00 C ATOM 533 C GLU A 35 12.142 -2.127 10.147 1.00 0.00 C ATOM 534 O GLU A 35 13.122 -2.525 9.528 1.00 0.00 O ATOM 535 CB GLU A 35 12.576 -0.144 11.751 1.00 0.00 C ATOM 536 CG GLU A 35 12.412 -1.071 12.974 1.00 0.00 C ATOM 537 CD GLU A 35 12.487 -0.314 14.308 1.00 0.00 C ATOM 538 OE1 GLU A 35 11.839 0.748 14.428 1.00 0.00 O ATOM 539 OE2 GLU A 35 13.070 -0.817 15.297 1.00 0.00 O ATOM 0 H GLU A 35 10.289 0.064 11.447 1.00 0.00 H new ATOM 0 HA GLU A 35 12.444 -0.166 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.641 0.013 11.579 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.146 0.827 11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.454 -1.587 12.907 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.188 -1.836 12.951 1.00 0.00 H new ATOM 546 N LYS A 36 11.158 -2.942 10.519 1.00 0.00 N ATOM 547 CA LYS A 36 10.996 -4.347 10.267 1.00 0.00 C ATOM 548 C LYS A 36 10.337 -4.677 8.913 1.00 0.00 C ATOM 549 O LYS A 36 9.861 -5.801 8.759 1.00 0.00 O ATOM 550 CB LYS A 36 10.261 -4.965 11.468 1.00 0.00 C ATOM 551 CG LYS A 36 8.818 -4.451 11.598 1.00 0.00 C ATOM 552 CD LYS A 36 8.393 -4.072 13.021 1.00 0.00 C ATOM 553 CE LYS A 36 9.108 -2.798 13.493 1.00 0.00 C ATOM 554 NZ LYS A 36 8.506 -2.237 14.716 1.00 0.00 N ATOM 0 H LYS A 36 10.375 -2.580 11.064 1.00 0.00 H new ATOM 0 HA LYS A 36 11.984 -4.798 10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.250 -6.050 11.365 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.809 -4.738 12.382 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.699 -3.579 10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.140 -5.218 11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.314 -3.920 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.619 -4.893 13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.159 -3.021 13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.076 -2.051 12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.023 -1.379 14.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.510 -1.998 14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.560 -2.938 15.482 1.00 0.00 H new ATOM 568 N MET A 37 10.219 -3.718 7.981 1.00 0.00 N ATOM 569 CA MET A 37 9.421 -3.767 6.741 1.00 0.00 C ATOM 570 C MET A 37 7.908 -3.958 7.016 1.00 0.00 C ATOM 571 O MET A 37 7.159 -4.324 6.108 1.00 0.00 O ATOM 572 CB MET A 37 9.937 -4.878 5.795 1.00 0.00 C ATOM 573 CG MET A 37 11.084 -4.439 4.900 1.00 0.00 C ATOM 574 SD MET A 37 10.716 -4.426 3.121 1.00 0.00 S ATOM 575 CE MET A 37 9.253 -3.366 2.969 1.00 0.00 C ATOM 0 H MET A 37 10.710 -2.829 8.078 1.00 0.00 H new ATOM 0 HA MET A 37 9.543 -2.800 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.261 -5.730 6.393 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.113 -5.222 5.170 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.393 -3.437 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.933 -5.100 5.074 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.064 -3.156 1.916 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.390 -3.874 3.399 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.425 -2.430 3.501 1.00 0.00 H new ATOM 585 N MET A 38 7.418 -3.764 8.251 1.00 0.00 N ATOM 586 CA MET A 38 5.991 -3.878 8.573 1.00 0.00 C ATOM 587 C MET A 38 5.163 -2.975 7.668 1.00 0.00 C ATOM 588 O MET A 38 5.669 -1.994 7.131 1.00 0.00 O ATOM 589 CB MET A 38 5.720 -3.485 10.034 1.00 0.00 C ATOM 590 CG MET A 38 4.958 -4.556 10.814 1.00 0.00 C ATOM 591 SD MET A 38 3.175 -4.567 10.498 1.00 0.00 S ATOM 592 CE MET A 38 2.803 -6.278 10.932 1.00 0.00 C ATOM 0 H MET A 38 8.002 -3.524 9.052 1.00 0.00 H new ATOM 0 HA MET A 38 5.707 -4.919 8.419 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.669 -3.288 10.532 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.150 -2.556 10.054 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.367 -5.534 10.563 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.127 -4.404 11.880 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.772 -6.506 10.663 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.475 -6.945 10.392 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.937 -6.419 12.004 1.00 0.00 H new ATOM 602 N ILE A 39 3.875 -3.267 7.572 1.00 0.00 N ATOM 603 CA ILE A 39 2.923 -2.569 6.729 1.00 0.00 C ATOM 604 C ILE A 39 1.716 -2.280 7.625 1.00 0.00 C ATOM 605 O ILE A 39 1.123 -3.219 8.159 1.00 0.00 O ATOM 606 CB ILE A 39 2.556 -3.417 5.480 1.00 0.00 C ATOM 607 CG1 ILE A 39 3.752 -4.075 4.748 1.00 0.00 C ATOM 608 CG2 ILE A 39 1.834 -2.485 4.496 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.335 -5.121 3.702 1.00 0.00 C ATOM 0 H ILE A 39 3.450 -4.028 8.102 1.00 0.00 H new ATOM 0 HA ILE A 39 3.331 -1.641 6.328 1.00 0.00 H new ATOM 0 HB ILE A 39 1.943 -4.246 5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.339 -3.298 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.401 -4.549 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.558 -3.044 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.935 -2.085 4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.495 -1.663 4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.225 -5.539 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.774 -5.919 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.711 -4.648 2.944 1.00 0.00 H new ATOM 621 N SER A 40 1.364 -1.004 7.793 1.00 0.00 N ATOM 622 CA SER A 40 0.322 -0.510 8.685 1.00 0.00 C ATOM 623 C SER A 40 -0.606 0.417 7.888 1.00 0.00 C ATOM 624 O SER A 40 -0.370 1.625 7.803 1.00 0.00 O ATOM 625 CB SER A 40 0.981 0.228 9.858 1.00 0.00 C ATOM 626 OG SER A 40 1.966 -0.567 10.498 1.00 0.00 O ATOM 0 H SER A 40 1.824 -0.251 7.282 1.00 0.00 H new ATOM 0 HA SER A 40 -0.271 -1.331 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.437 1.150 9.497 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.218 0.513 10.582 1.00 0.00 H new ATOM 0 HG SER A 40 2.364 -0.062 11.238 1.00 0.00 H new ATOM 632 N GLY A 41 -1.646 -0.145 7.273 1.00 0.00 N ATOM 633 CA GLY A 41 -2.549 0.563 6.370 1.00 0.00 C ATOM 634 C GLY A 41 -4.015 0.206 6.667 1.00 0.00 C ATOM 635 O GLY A 41 -4.340 -0.334 7.730 1.00 0.00 O ATOM 0 H GLY A 41 -1.889 -1.128 7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.404 1.638 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.311 0.308 5.337 1.00 0.00 H new ATOM 639 N SER A 42 -4.921 0.584 5.766 1.00 0.00 N ATOM 640 CA SER A 42 -6.355 0.335 5.771 1.00 0.00 C ATOM 641 C SER A 42 -6.934 0.792 4.425 1.00 0.00 C ATOM 642 O SER A 42 -7.295 1.959 4.250 1.00 0.00 O ATOM 643 CB SER A 42 -7.038 1.024 6.970 1.00 0.00 C ATOM 644 OG SER A 42 -8.408 0.668 7.061 1.00 0.00 O ATOM 0 H SER A 42 -4.642 1.119 4.944 1.00 0.00 H new ATOM 0 HA SER A 42 -6.547 -0.731 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.526 0.745 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.948 2.106 6.870 1.00 0.00 H new ATOM 0 HG SER A 42 -8.813 1.119 7.831 1.00 0.00 H new ATOM 650 N MET A 43 -7.035 -0.128 3.459 1.00 0.00 N ATOM 651 CA MET A 43 -7.747 0.137 2.214 1.00 0.00 C ATOM 652 C MET A 43 -9.218 0.376 2.535 1.00 0.00 C ATOM 653 O MET A 43 -9.774 1.405 2.151 1.00 0.00 O ATOM 654 CB MET A 43 -7.599 -1.033 1.235 1.00 0.00 C ATOM 655 CG MET A 43 -6.312 -0.957 0.416 1.00 0.00 C ATOM 656 SD MET A 43 -6.126 0.520 -0.618 1.00 0.00 S ATOM 657 CE MET A 43 -5.399 -0.247 -2.094 1.00 0.00 C ATOM 0 H MET A 43 -6.630 -1.062 3.520 1.00 0.00 H new ATOM 0 HA MET A 43 -7.321 1.020 1.737 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.616 -1.971 1.791 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.454 -1.047 0.560 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.464 -1.009 1.099 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.259 -1.837 -0.226 1.00 0.00 H new ATOM 0 HE1 MET A 43 -5.394 0.473 -2.913 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.377 -0.557 -1.877 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.989 -1.118 -2.380 1.00 0.00 H new ATOM 667 N CYS A 44 -9.831 -0.535 3.291 1.00 0.00 N ATOM 668 CA CYS A 44 -11.148 -0.318 3.860 1.00 0.00 C ATOM 669 C CYS A 44 -11.224 -1.066 5.174 1.00 0.00 C ATOM 670 O CYS A 44 -11.305 -0.464 6.241 1.00 0.00 O ATOM 671 CB CYS A 44 -12.236 -0.758 2.871 1.00 0.00 C ATOM 672 SG CYS A 44 -13.956 -0.507 3.363 1.00 0.00 S ATOM 0 H CYS A 44 -9.424 -1.441 3.522 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.317 0.742 4.052 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.073 -0.228 1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.096 -1.819 2.666 1.00 0.00 H new ATOM 677 N ASN A 45 -11.169 -2.393 5.083 1.00 0.00 N ATOM 678 CA ASN A 45 -11.366 -3.373 6.148 1.00 0.00 C ATOM 679 C ASN A 45 -10.155 -3.476 7.084 1.00 0.00 C ATOM 680 O ASN A 45 -10.038 -4.456 7.814 1.00 0.00 O ATOM 681 CB ASN A 45 -11.663 -4.735 5.477 1.00 0.00 C ATOM 682 CG ASN A 45 -13.125 -4.926 5.073 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.701 -6.006 5.173 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.808 -3.872 4.668 1.00 0.00 N ATOM 0 H ASN A 45 -10.970 -2.846 4.191 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.199 -3.058 6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.036 -4.836 4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.379 -5.535 6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.799 -3.962 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.345 -2.967 4.579 1.00 0.00 H new ATOM 691 N ARG A 46 -9.248 -2.495 7.089 1.00 0.00 N ATOM 692 CA ARG A 46 -7.900 -2.577 7.652 1.00 0.00 C ATOM 693 C ARG A 46 -7.062 -3.645 6.949 1.00 0.00 C ATOM 694 O ARG A 46 -7.587 -4.507 6.242 1.00 0.00 O ATOM 695 CB ARG A 46 -7.960 -2.735 9.191 1.00 0.00 C ATOM 696 CG ARG A 46 -7.342 -1.551 9.949 1.00 0.00 C ATOM 697 CD ARG A 46 -6.004 -1.871 10.612 1.00 0.00 C ATOM 698 NE ARG A 46 -6.172 -2.152 12.049 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.209 -2.481 12.917 1.00 0.00 C ATOM 700 NH1 ARG A 46 -3.986 -2.764 12.489 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.492 -2.520 14.210 1.00 0.00 N ATOM 0 H ARG A 46 -9.444 -1.581 6.682 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.380 -1.638 7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.000 -2.850 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.441 -3.650 9.476 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.204 -0.721 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.044 -1.215 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.549 -2.732 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.321 -1.032 10.481 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.120 -2.089 12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.774 -2.732 11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.257 -3.014 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.434 -2.301 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.768 -2.769 14.883 1.00 0.00 H new ATOM 715 N PHE A 47 -5.743 -3.565 7.090 1.00 0.00 N ATOM 716 CA PHE A 47 -4.854 -4.713 7.001 1.00 0.00 C ATOM 717 C PHE A 47 -3.556 -4.347 7.719 1.00 0.00 C ATOM 718 O PHE A 47 -3.257 -3.160 7.857 1.00 0.00 O ATOM 719 CB PHE A 47 -4.557 -5.135 5.548 1.00 0.00 C ATOM 720 CG PHE A 47 -3.759 -4.116 4.762 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.398 -2.988 4.211 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.373 -4.285 4.595 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.651 -2.025 3.512 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.636 -3.342 3.866 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.267 -2.204 3.340 1.00 0.00 C ATOM 0 H PHE A 47 -5.257 -2.687 7.272 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.343 -5.569 7.467 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.012 -6.079 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.500 -5.318 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.465 -2.863 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.877 -5.141 5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.138 -1.150 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.578 -3.492 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.690 -1.466 2.803 1.00 0.00 H new ATOM 735 N SER A 48 -2.761 -5.338 8.129 1.00 0.00 N ATOM 736 CA SER A 48 -1.344 -5.157 8.456 1.00 0.00 C ATOM 737 C SER A 48 -0.614 -6.473 8.199 1.00 0.00 C ATOM 738 O SER A 48 -1.240 -7.538 8.265 1.00 0.00 O ATOM 739 CB SER A 48 -1.126 -4.774 9.927 1.00 0.00 C ATOM 740 OG SER A 48 -2.132 -3.917 10.436 1.00 0.00 O ATOM 0 H SER A 48 -3.086 -6.298 8.245 1.00 0.00 H new ATOM 0 HA SER A 48 -0.963 -4.348 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.091 -5.681 10.530 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.157 -4.286 10.029 1.00 0.00 H new ATOM 0 HG SER A 48 -1.862 -3.582 11.316 1.00 0.00 H new ATOM 746 N GLY A 49 0.702 -6.456 8.004 1.00 0.00 N ATOM 747 CA GLY A 49 1.472 -7.667 7.762 1.00 0.00 C ATOM 748 C GLY A 49 2.949 -7.331 7.633 1.00 0.00 C ATOM 749 O GLY A 49 3.314 -6.159 7.530 1.00 0.00 O ATOM 0 H GLY A 49 1.261 -5.603 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.322 -8.372 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.121 -8.154 6.852 1.00 0.00 H new ATOM 753 N GLU A 50 3.807 -8.343 7.682 1.00 0.00 N ATOM 754 CA GLU A 50 5.244 -8.160 7.639 1.00 0.00 C ATOM 755 C GLU A 50 5.663 -8.161 6.179 1.00 0.00 C ATOM 756 O GLU A 50 5.780 -9.215 5.549 1.00 0.00 O ATOM 757 CB GLU A 50 5.941 -9.249 8.454 1.00 0.00 C ATOM 758 CG GLU A 50 5.783 -8.960 9.948 1.00 0.00 C ATOM 759 CD GLU A 50 6.372 -10.087 10.794 1.00 0.00 C ATOM 760 OE1 GLU A 50 5.825 -11.212 10.789 1.00 0.00 O ATOM 761 OE2 GLU A 50 7.361 -9.853 11.525 1.00 0.00 O ATOM 0 H GLU A 50 3.518 -9.319 7.753 1.00 0.00 H new ATOM 0 HA GLU A 50 5.537 -7.212 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.514 -10.223 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.998 -9.291 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.278 -8.021 10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.727 -8.836 10.187 1.00 0.00 H new ATOM 768 N GLY A 51 5.835 -6.966 5.628 1.00 0.00 N ATOM 769 CA GLY A 51 6.397 -6.796 4.291 1.00 0.00 C ATOM 770 C GLY A 51 7.808 -7.379 4.172 1.00 0.00 C ATOM 771 O GLY A 51 8.443 -7.727 5.177 1.00 0.00 O ATOM 0 H GLY A 51 5.591 -6.091 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.745 -7.278 3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.423 -5.735 4.043 1.00 0.00 H new ATOM 775 N LYS A 52 8.336 -7.466 2.945 1.00 0.00 N ATOM 776 CA LYS A 52 9.742 -7.792 2.713 1.00 0.00 C ATOM 777 C LYS A 52 10.219 -7.246 1.372 1.00 0.00 C ATOM 778 O LYS A 52 9.483 -7.309 0.382 1.00 0.00 O ATOM 779 CB LYS A 52 9.926 -9.315 2.740 1.00 0.00 C ATOM 780 CG LYS A 52 11.413 -9.702 2.675 1.00 0.00 C ATOM 781 CD LYS A 52 11.616 -11.208 2.740 1.00 0.00 C ATOM 782 CE LYS A 52 11.116 -11.866 1.456 1.00 0.00 C ATOM 783 NZ LYS A 52 11.069 -13.325 1.595 1.00 0.00 N ATOM 0 H LYS A 52 7.800 -7.313 2.091 1.00 0.00 H new ATOM 0 HA LYS A 52 10.336 -7.330 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.482 -9.720 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.395 -9.762 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.847 -9.318 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.947 -9.229 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.673 -11.433 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.082 -11.617 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.123 -11.488 1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.771 -11.597 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.726 -13.747 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.022 -13.685 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.425 -13.579 2.371 1.00 0.00 H new ATOM 797 N LEU A 53 11.495 -6.860 1.321 1.00 0.00 N ATOM 798 CA LEU A 53 12.263 -6.493 0.144 1.00 0.00 C ATOM 799 C LEU A 53 13.612 -7.183 0.246 1.00 0.00 C ATOM 800 O LEU A 53 14.186 -7.253 1.332 1.00 0.00 O ATOM 801 CB LEU A 53 12.448 -4.968 0.129 1.00 0.00 C ATOM 802 CG LEU A 53 13.211 -4.367 -1.070 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.682 -4.837 -2.434 1.00 0.00 C ATOM 804 CD2 LEU A 53 13.008 -2.866 -1.014 1.00 0.00 C ATOM 0 H LEU A 53 12.056 -6.793 2.170 1.00 0.00 H new ATOM 0 HA LEU A 53 11.756 -6.795 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.461 -4.507 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.971 -4.681 1.041 1.00 0.00 H new ATOM 0 HG LEU A 53 14.251 -4.682 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.266 -4.374 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.769 -5.921 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.636 -4.549 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.532 -2.397 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.944 -2.640 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 13.402 -2.480 -0.074 1.00 0.00 H new ATOM 816 N SER A 54 14.098 -7.688 -0.882 1.00 0.00 N ATOM 817 CA SER A 54 15.484 -8.090 -1.105 1.00 0.00 C ATOM 818 C SER A 54 15.774 -8.203 -2.614 1.00 0.00 C ATOM 819 O SER A 54 16.938 -8.194 -3.028 1.00 0.00 O ATOM 820 CB SER A 54 15.758 -9.424 -0.392 1.00 0.00 C ATOM 821 OG SER A 54 17.121 -9.521 -0.019 1.00 0.00 O ATOM 0 H SER A 54 13.511 -7.835 -1.703 1.00 0.00 H new ATOM 0 HA SER A 54 16.148 -7.331 -0.691 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.127 -9.506 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.495 -10.254 -1.048 1.00 0.00 H new ATOM 0 HG SER A 54 17.276 -10.376 0.435 1.00 0.00 H new ATOM 827 N ASN A 55 14.726 -8.234 -3.452 1.00 0.00 N ATOM 828 CA ASN A 55 14.809 -8.536 -4.877 1.00 0.00 C ATOM 829 C ASN A 55 14.224 -7.422 -5.766 1.00 0.00 C ATOM 830 O ASN A 55 13.956 -7.678 -6.940 1.00 0.00 O ATOM 831 CB ASN A 55 14.061 -9.853 -5.140 1.00 0.00 C ATOM 832 CG ASN A 55 14.477 -11.044 -4.285 1.00 0.00 C ATOM 833 OD1 ASN A 55 15.609 -11.168 -3.829 1.00 0.00 O ATOM 834 ND2 ASN A 55 13.553 -11.956 -4.027 1.00 0.00 N ATOM 0 H ASN A 55 13.773 -8.043 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 55 15.864 -8.620 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.996 -9.678 -4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.195 -10.120 -6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.782 -12.764 -3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.612 -11.851 -4.407 1.00 0.00 H new ATOM 841 N GLY A 56 13.969 -6.212 -5.256 1.00 0.00 N ATOM 842 CA GLY A 56 13.263 -5.148 -5.985 1.00 0.00 C ATOM 843 C GLY A 56 11.765 -5.433 -6.142 1.00 0.00 C ATOM 844 O GLY A 56 11.109 -4.867 -7.011 1.00 0.00 O ATOM 0 H GLY A 56 14.250 -5.939 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.396 -4.203 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.712 -5.029 -6.971 1.00 0.00 H new ATOM 848 N GLU A 57 11.214 -6.320 -5.310 1.00 0.00 N ATOM 849 CA GLU A 57 9.829 -6.764 -5.355 1.00 0.00 C ATOM 850 C GLU A 57 9.244 -6.640 -3.935 1.00 0.00 C ATOM 851 O GLU A 57 9.999 -6.798 -2.967 1.00 0.00 O ATOM 852 CB GLU A 57 9.857 -8.204 -5.886 1.00 0.00 C ATOM 853 CG GLU A 57 8.481 -8.845 -6.074 1.00 0.00 C ATOM 854 CD GLU A 57 8.616 -10.358 -6.106 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.209 -10.852 -7.089 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.271 -11.034 -5.107 1.00 0.00 O ATOM 0 H GLU A 57 11.745 -6.762 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 57 9.192 -6.168 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.380 -8.214 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.438 -8.819 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.817 -8.547 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.029 -8.492 -7.001 1.00 0.00 H new ATOM 863 N LEU A 58 7.937 -6.389 -3.777 1.00 0.00 N ATOM 864 CA LEU A 58 7.275 -6.305 -2.473 1.00 0.00 C ATOM 865 C LEU A 58 6.276 -7.444 -2.349 1.00 0.00 C ATOM 866 O LEU A 58 5.353 -7.541 -3.161 1.00 0.00 O ATOM 867 CB LEU A 58 6.534 -4.965 -2.284 1.00 0.00 C ATOM 868 CG LEU A 58 5.785 -4.876 -0.930 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.708 -4.978 0.296 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.963 -3.587 -0.865 1.00 0.00 C ATOM 0 H LEU A 58 7.304 -6.237 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 58 8.044 -6.374 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.251 -4.147 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.821 -4.832 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 58 5.126 -5.743 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.113 -4.908 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.232 -5.933 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.434 -4.165 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.441 -3.536 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.626 -2.727 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.235 -3.578 -1.676 1.00 0.00 H new ATOM 882 N THR A 59 6.419 -8.231 -1.291 1.00 0.00 N ATOM 883 CA THR A 59 5.475 -9.243 -0.839 1.00 0.00 C ATOM 884 C THR A 59 5.056 -8.965 0.607 1.00 0.00 C ATOM 885 O THR A 59 5.753 -8.274 1.359 1.00 0.00 O ATOM 886 CB THR A 59 6.127 -10.633 -0.940 1.00 0.00 C ATOM 887 OG1 THR A 59 7.448 -10.596 -0.427 1.00 0.00 O ATOM 888 CG2 THR A 59 6.161 -11.104 -2.387 1.00 0.00 C ATOM 0 H THR A 59 7.243 -8.177 -0.692 1.00 0.00 H new ATOM 0 HA THR A 59 4.587 -9.213 -1.471 1.00 0.00 H new ATOM 0 HB THR A 59 5.530 -11.330 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.851 -11.487 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.626 -12.089 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.144 -11.162 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.738 -10.399 -2.986 1.00 0.00 H new ATOM 896 N ALA A 60 3.914 -9.534 0.989 1.00 0.00 N ATOM 897 CA ALA A 60 3.472 -9.734 2.356 1.00 0.00 C ATOM 898 C ALA A 60 4.102 -10.954 3.027 1.00 0.00 C ATOM 899 O ALA A 60 4.611 -11.876 2.387 1.00 0.00 O ATOM 900 CB ALA A 60 1.960 -9.956 2.318 1.00 0.00 C ATOM 0 H ALA A 60 3.239 -9.885 0.310 1.00 0.00 H new ATOM 0 HA ALA A 60 3.768 -8.857 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.589 -10.111 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.475 -9.082 1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.736 -10.834 1.712 1.00 0.00 H new ATOM 906 N LYS A 61 3.876 -11.022 4.338 1.00 0.00 N ATOM 907 CA LYS A 61 3.720 -12.228 5.112 1.00 0.00 C ATOM 908 C LYS A 61 2.524 -11.965 6.028 1.00 0.00 C ATOM 909 O LYS A 61 2.531 -10.989 6.785 1.00 0.00 O ATOM 910 CB LYS A 61 5.014 -12.493 5.893 1.00 0.00 C ATOM 911 CG LYS A 61 4.960 -13.873 6.544 1.00 0.00 C ATOM 912 CD LYS A 61 6.230 -14.156 7.356 1.00 0.00 C ATOM 913 CE LYS A 61 6.156 -15.576 7.930 1.00 0.00 C ATOM 914 NZ LYS A 61 7.149 -15.807 8.998 1.00 0.00 N ATOM 0 H LYS A 61 3.794 -10.182 4.911 1.00 0.00 H new ATOM 0 HA LYS A 61 3.540 -13.116 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.872 -12.432 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.151 -11.727 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.088 -13.937 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.840 -14.636 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.111 -14.052 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.330 -13.430 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.155 -15.753 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.315 -16.297 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.058 -16.781 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.107 -15.665 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.983 -15.138 9.777 1.00 0.00 H new ATOM 928 N GLY A 62 1.489 -12.794 5.935 1.00 0.00 N ATOM 929 CA GLY A 62 0.480 -12.941 6.976 1.00 0.00 C ATOM 930 C GLY A 62 -0.845 -12.259 6.649 1.00 0.00 C ATOM 931 O GLY A 62 -1.866 -12.948 6.598 1.00 0.00 O ATOM 0 H GLY A 62 1.326 -13.390 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.299 -14.002 7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.870 -12.530 7.907 1.00 0.00 H new ATOM 935 N LEU A 63 -0.849 -10.932 6.465 1.00 0.00 N ATOM 936 CA LEU A 63 -1.992 -10.054 6.235 1.00 0.00 C ATOM 937 C LEU A 63 -3.183 -10.335 7.170 1.00 0.00 C ATOM 938 O LEU A 63 -4.090 -11.114 6.873 1.00 0.00 O ATOM 939 CB LEU A 63 -2.348 -10.083 4.750 1.00 0.00 C ATOM 940 CG LEU A 63 -3.048 -8.816 4.255 1.00 0.00 C ATOM 941 CD1 LEU A 63 -2.031 -7.768 3.784 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.979 -9.180 3.095 1.00 0.00 C ATOM 0 H LEU A 63 0.025 -10.406 6.475 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.709 -9.035 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.437 -10.233 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.992 -10.941 4.558 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.619 -8.390 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.558 -6.879 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.374 -7.501 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.437 -8.178 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.482 -8.282 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.396 -9.618 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.722 -9.900 3.437 1.00 0.00 H new ATOM 954 N ALA A 64 -3.182 -9.702 8.340 1.00 0.00 N ATOM 955 CA ALA A 64 -4.399 -9.569 9.139 1.00 0.00 C ATOM 956 C ALA A 64 -5.303 -8.568 8.418 1.00 0.00 C ATOM 957 O ALA A 64 -4.773 -7.637 7.818 1.00 0.00 O ATOM 958 CB ALA A 64 -4.046 -9.053 10.540 1.00 0.00 C ATOM 0 H ALA A 64 -2.355 -9.274 8.756 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.902 -10.529 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.956 -8.955 11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.370 -9.756 11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.561 -8.080 10.458 1.00 0.00 H new ATOM 964 N MET A 65 -6.627 -8.720 8.496 1.00 0.00 N ATOM 965 CA MET A 65 -7.650 -7.808 7.968 1.00 0.00 C ATOM 966 C MET A 65 -8.865 -7.870 8.916 1.00 0.00 C ATOM 967 O MET A 65 -8.739 -8.413 10.021 1.00 0.00 O ATOM 968 CB MET A 65 -8.020 -8.159 6.512 1.00 0.00 C ATOM 969 CG MET A 65 -6.823 -8.126 5.552 1.00 0.00 C ATOM 970 SD MET A 65 -7.219 -8.204 3.781 1.00 0.00 S ATOM 971 CE MET A 65 -7.636 -6.475 3.422 1.00 0.00 C ATOM 0 H MET A 65 -7.041 -9.531 8.957 1.00 0.00 H new ATOM 0 HA MET A 65 -7.270 -6.787 7.933 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.467 -9.153 6.488 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.778 -7.460 6.159 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.259 -7.212 5.738 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.166 -8.961 5.794 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.148 -6.416 2.462 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.288 -6.088 4.205 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.723 -5.881 3.383 1.00 0.00 H new ATOM 981 N THR A 66 -10.004 -7.266 8.562 1.00 0.00 N ATOM 982 CA THR A 66 -11.244 -7.310 9.342 1.00 0.00 C ATOM 983 C THR A 66 -12.454 -7.482 8.395 1.00 0.00 C ATOM 984 O THR A 66 -12.278 -7.729 7.202 1.00 0.00 O ATOM 985 CB THR A 66 -11.364 -6.093 10.301 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.851 -4.958 9.613 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.080 -5.641 11.020 1.00 0.00 C ATOM 0 H THR A 66 -10.091 -6.720 7.705 1.00 0.00 H new ATOM 0 HA THR A 66 -11.227 -8.181 9.997 1.00 0.00 H new ATOM 0 HB THR A 66 -12.044 -6.469 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.108 -4.505 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.302 -4.785 11.657 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.698 -6.459 11.631 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.330 -5.359 10.282 1.00 0.00 H new ATOM 995 N ARG A 67 -13.689 -7.318 8.889 1.00 0.00 N ATOM 996 CA ARG A 67 -14.963 -7.395 8.153 1.00 0.00 C ATOM 997 C ARG A 67 -15.741 -6.071 8.212 1.00 0.00 C ATOM 998 O ARG A 67 -16.976 -6.064 8.203 1.00 0.00 O ATOM 999 CB ARG A 67 -15.791 -8.554 8.734 1.00 0.00 C ATOM 1000 CG ARG A 67 -15.374 -9.941 8.241 1.00 0.00 C ATOM 1001 CD ARG A 67 -15.996 -10.231 6.868 1.00 0.00 C ATOM 1002 NE ARG A 67 -15.815 -11.639 6.499 1.00 0.00 N ATOM 1003 CZ ARG A 67 -16.477 -12.684 7.010 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -17.539 -12.526 7.797 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -16.050 -13.908 6.748 1.00 0.00 N ATOM 0 H ARG A 67 -13.837 -7.115 9.878 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.756 -7.580 7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.713 -8.530 9.821 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.840 -8.394 8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.288 -9.999 8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.690 -10.699 8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.059 -9.990 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.537 -9.591 6.114 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.117 -11.841 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.869 -11.588 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.022 -13.342 8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.226 -14.046 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.545 -14.714 7.131 1.00 0.00 H new ATOM 1019 N MET A 68 -15.057 -4.936 8.343 1.00 0.00 N ATOM 1020 CA MET A 68 -15.712 -3.625 8.379 1.00 0.00 C ATOM 1021 C MET A 68 -16.168 -3.233 6.960 1.00 0.00 C ATOM 1022 O MET A 68 -16.179 -4.067 6.052 1.00 0.00 O ATOM 1023 CB MET A 68 -14.794 -2.594 9.059 1.00 0.00 C ATOM 1024 CG MET A 68 -14.578 -2.901 10.544 1.00 0.00 C ATOM 1025 SD MET A 68 -13.733 -1.611 11.499 1.00 0.00 S ATOM 1026 CE MET A 68 -12.075 -1.648 10.761 1.00 0.00 C ATOM 0 H MET A 68 -14.041 -4.896 8.427 1.00 0.00 H new ATOM 0 HA MET A 68 -16.616 -3.661 8.988 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.830 -2.576 8.550 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.228 -1.599 8.955 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.549 -3.089 11.002 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.003 -3.823 10.626 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.443 -0.906 11.249 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.640 -2.639 10.893 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.145 -1.422 9.697 1.00 0.00 H new ATOM 1036 N MET A 69 -16.596 -1.985 6.757 1.00 0.00 N ATOM 1037 CA MET A 69 -16.952 -1.410 5.463 1.00 0.00 C ATOM 1038 C MET A 69 -16.664 0.084 5.471 1.00 0.00 C ATOM 1039 O MET A 69 -16.265 0.633 6.498 1.00 0.00 O ATOM 1040 CB MET A 69 -18.423 -1.703 5.139 1.00 0.00 C ATOM 1041 CG MET A 69 -19.475 -0.795 5.799 1.00 0.00 C ATOM 1042 SD MET A 69 -19.290 -0.492 7.578 1.00 0.00 S ATOM 1043 CE MET A 69 -19.455 -2.185 8.176 1.00 0.00 C ATOM 0 H MET A 69 -16.708 -1.322 7.524 1.00 0.00 H new ATOM 0 HA MET A 69 -16.347 -1.867 4.680 1.00 0.00 H new ATOM 0 HB2 MET A 69 -18.551 -1.641 4.058 1.00 0.00 H new ATOM 0 HB3 MET A 69 -18.635 -2.733 5.427 1.00 0.00 H new ATOM 0 HG2 MET A 69 -19.463 0.167 5.287 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.458 -1.234 5.629 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.189 -2.216 8.982 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.784 -2.829 7.360 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.492 -2.535 8.548 1.00 0.00 H new ATOM 1053 N CYS A 70 -16.873 0.741 4.336 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.651 2.169 4.164 1.00 0.00 C ATOM 1055 C CYS A 70 -17.828 2.843 3.441 1.00 0.00 C ATOM 1056 O CYS A 70 -17.682 3.943 2.910 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.342 2.345 3.398 1.00 0.00 C ATOM 1058 SG CYS A 70 -13.866 1.640 4.167 1.00 0.00 S ATOM 0 H CYS A 70 -17.210 0.282 3.490 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.582 2.656 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.460 1.899 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.174 3.411 3.248 1.00 0.00 H new ATOM 1063 N ALA A 71 -18.972 2.159 3.361 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.192 2.445 2.606 1.00 0.00 C ATOM 1065 C ALA A 71 -20.018 2.522 1.081 1.00 0.00 C ATOM 1066 O ALA A 71 -20.966 2.253 0.339 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.878 3.701 3.146 1.00 0.00 C ATOM 0 H ALA A 71 -19.076 1.290 3.886 1.00 0.00 H new ATOM 0 HA ALA A 71 -20.832 1.577 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.783 3.897 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.139 3.551 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.202 4.551 3.058 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.819 2.850 0.600 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.528 3.031 -0.817 1.00 0.00 C ATOM 1075 C ASN A 72 -17.934 1.749 -1.407 1.00 0.00 C ATOM 1076 O ASN A 72 -17.170 1.077 -0.706 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.555 4.210 -0.945 1.00 0.00 C ATOM 1078 CG ASN A 72 -17.652 4.866 -2.312 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -18.735 5.287 -2.710 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -16.569 4.937 -3.060 1.00 0.00 N ATOM 0 H ASN A 72 -18.008 3.000 1.200 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.440 3.245 -1.375 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.770 4.946 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.536 3.862 -0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.619 5.349 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.681 4.580 -2.707 1.00 0.00 H new ATOM 1087 N PRO A 73 -18.228 1.389 -2.670 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.781 0.120 -3.238 1.00 0.00 C ATOM 1089 C PRO A 73 -16.287 0.122 -3.556 1.00 0.00 C ATOM 1090 O PRO A 73 -15.633 -0.884 -3.316 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.619 -0.090 -4.500 1.00 0.00 C ATOM 1092 CG PRO A 73 -19.013 1.324 -4.911 1.00 0.00 C ATOM 1093 CD PRO A 73 -19.133 2.064 -3.587 1.00 0.00 C ATOM 0 HA PRO A 73 -17.918 -0.692 -2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.047 -0.590 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.495 -0.708 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.261 1.778 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.954 1.334 -5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.863 3.114 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.157 2.037 -3.216 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.729 1.238 -4.049 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.316 1.329 -4.417 1.00 0.00 C ATOM 1103 C GLN A 74 -13.425 0.871 -3.258 1.00 0.00 C ATOM 1104 O GLN A 74 -12.516 0.076 -3.456 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.985 2.761 -4.864 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.523 2.949 -5.320 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.168 4.391 -5.700 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.837 5.354 -5.321 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.111 4.583 -6.469 1.00 0.00 N ATOM 0 H GLN A 74 -16.249 2.102 -4.202 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.119 0.661 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.649 3.039 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.190 3.445 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.859 2.621 -4.520 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.334 2.302 -6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.557 3.786 -6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.849 5.528 -6.749 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.700 1.337 -2.039 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.904 0.966 -0.878 1.00 0.00 C ATOM 1120 C LEU A 75 -13.044 -0.526 -0.550 1.00 0.00 C ATOM 1121 O LEU A 75 -12.061 -1.153 -0.167 1.00 0.00 O ATOM 1122 CB LEU A 75 -13.248 1.858 0.322 1.00 0.00 C ATOM 1123 CG LEU A 75 -13.003 3.361 0.097 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.457 4.176 1.307 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.529 3.669 -0.170 1.00 0.00 C ATOM 0 H LEU A 75 -14.471 1.973 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.854 1.132 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.297 1.709 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.660 1.532 1.180 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.586 3.639 -0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.273 5.234 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.522 4.017 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.900 3.859 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.403 4.741 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.930 3.352 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.201 3.134 -1.062 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.235 -1.112 -0.701 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.469 -2.524 -0.381 1.00 0.00 C ATOM 1139 C ASN A 76 -13.896 -3.450 -1.456 1.00 0.00 C ATOM 1140 O ASN A 76 -13.510 -4.574 -1.161 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.970 -2.789 -0.194 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.261 -3.588 1.077 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.051 -4.794 1.158 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -16.799 -2.940 2.101 1.00 0.00 N ATOM 0 H ASN A 76 -15.061 -0.624 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.951 -2.740 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.503 -1.839 -0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.352 -3.332 -1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.038 -3.444 2.955 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.974 -1.937 2.035 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.826 -2.993 -2.703 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.072 -3.616 -3.780 1.00 0.00 C ATOM 1153 C GLU A 77 -11.576 -3.537 -3.453 1.00 0.00 C ATOM 1154 O GLU A 77 -10.800 -4.453 -3.741 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.450 -2.878 -5.061 1.00 0.00 C ATOM 1156 CG GLU A 77 -12.549 -3.118 -6.272 1.00 0.00 C ATOM 1157 CD GLU A 77 -12.821 -4.433 -7.006 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.076 -5.470 -6.364 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -12.863 -4.409 -8.262 1.00 0.00 O ATOM 0 H GLU A 77 -14.312 -2.147 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.302 -4.674 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.468 -3.160 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.461 -1.809 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.673 -2.292 -6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.509 -3.106 -5.945 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.143 -2.433 -2.840 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.738 -2.227 -2.532 1.00 0.00 C ATOM 1168 C LEU A 78 -9.216 -3.138 -1.417 1.00 0.00 C ATOM 1169 O LEU A 78 -8.001 -3.296 -1.309 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.426 -0.729 -2.332 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.789 -0.042 -3.561 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -9.541 -0.206 -4.889 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.647 1.464 -3.296 1.00 0.00 C ATOM 0 H LEU A 78 -11.753 -1.669 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.165 -2.543 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.349 -0.209 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.754 -0.620 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.832 -0.549 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.002 0.317 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.613 -1.265 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.543 0.213 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.198 1.945 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.631 1.895 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.012 1.622 -2.424 1.00 0.00 H new ATOM 1185 N ASP A 79 -10.099 -3.808 -0.670 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.774 -4.953 0.175 1.00 0.00 C ATOM 1187 C ASP A 79 -9.037 -6.021 -0.625 1.00 0.00 C ATOM 1188 O ASP A 79 -7.905 -6.363 -0.282 1.00 0.00 O ATOM 1189 CB ASP A 79 -11.053 -5.545 0.786 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.749 -6.757 1.667 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.677 -7.904 1.165 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -10.613 -6.553 2.891 1.00 0.00 O ATOM 0 H ASP A 79 -11.087 -3.558 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.123 -4.610 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.560 -4.783 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.736 -5.837 -0.012 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.647 -6.530 -1.702 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.094 -7.639 -2.444 1.00 0.00 C ATOM 1199 C ASN A 80 -7.924 -7.155 -3.290 1.00 0.00 C ATOM 1200 O ASN A 80 -6.899 -7.829 -3.352 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.188 -8.323 -3.270 1.00 0.00 C ATOM 1202 CG ASN A 80 -10.704 -7.561 -4.487 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -10.012 -7.393 -5.488 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.950 -7.127 -4.449 1.00 0.00 N ATOM 0 H ASN A 80 -10.531 -6.179 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.706 -8.393 -1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.807 -9.287 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.033 -8.527 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.348 -6.647 -5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.515 -7.272 -3.612 1.00 0.00 H new ATOM 1211 N THR A 81 -8.031 -5.928 -3.812 1.00 0.00 N ATOM 1212 CA THR A 81 -6.991 -5.237 -4.543 1.00 0.00 C ATOM 1213 C THR A 81 -5.665 -5.309 -3.779 1.00 0.00 C ATOM 1214 O THR A 81 -4.682 -5.745 -4.372 1.00 0.00 O ATOM 1215 CB THR A 81 -7.445 -3.800 -4.834 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.713 -3.785 -5.477 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.525 -2.971 -5.727 1.00 0.00 C ATOM 0 H THR A 81 -8.885 -5.376 -3.727 1.00 0.00 H new ATOM 0 HA THR A 81 -6.815 -5.722 -5.503 1.00 0.00 H new ATOM 0 HB THR A 81 -7.453 -3.351 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.413 -3.995 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.949 -1.976 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.543 -2.888 -5.260 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.425 -3.457 -6.697 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.606 -4.919 -2.497 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.341 -4.956 -1.766 1.00 0.00 C ATOM 1227 C ILE A 82 -3.982 -6.379 -1.334 1.00 0.00 C ATOM 1228 O ILE A 82 -2.811 -6.753 -1.397 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.353 -3.942 -0.602 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.940 -3.645 -0.065 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.266 -4.344 0.572 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.095 -2.797 -1.025 1.00 0.00 C ATOM 0 H ILE A 82 -6.404 -4.582 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.541 -4.645 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.768 -3.037 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.023 -3.127 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.426 -4.587 0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.218 -3.580 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.293 -4.439 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.934 -5.298 0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.112 -2.624 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.983 -3.323 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.589 -1.841 -1.197 1.00 0.00 H new ATOM 1244 N SER A 83 -4.963 -7.184 -0.922 1.00 0.00 N ATOM 1245 CA SER A 83 -4.751 -8.557 -0.484 1.00 0.00 C ATOM 1246 C SER A 83 -3.923 -9.313 -1.526 1.00 0.00 C ATOM 1247 O SER A 83 -2.864 -9.857 -1.187 1.00 0.00 O ATOM 1248 CB SER A 83 -6.122 -9.189 -0.196 1.00 0.00 C ATOM 1249 OG SER A 83 -6.088 -10.316 0.658 1.00 0.00 O ATOM 0 H SER A 83 -5.940 -6.892 -0.884 1.00 0.00 H new ATOM 0 HA SER A 83 -4.173 -8.601 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.769 -8.433 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.578 -9.481 -1.142 1.00 0.00 H new ATOM 0 HG SER A 83 -6.998 -10.654 0.790 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.345 -9.249 -2.790 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.708 -9.926 -3.903 1.00 0.00 C ATOM 1257 C GLU A 84 -2.331 -9.357 -4.203 1.00 0.00 C ATOM 1258 O GLU A 84 -1.391 -10.123 -4.419 1.00 0.00 O ATOM 1259 CB GLU A 84 -4.599 -9.797 -5.146 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.480 -11.031 -5.298 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.493 -11.235 -4.165 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -6.135 -11.811 -3.111 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -7.676 -10.867 -4.350 1.00 0.00 O ATOM 0 H GLU A 84 -5.163 -8.707 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.579 -10.974 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.221 -8.906 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.979 -9.673 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.020 -10.962 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.841 -11.912 -5.360 1.00 0.00 H new ATOM 1270 N MET A 85 -2.188 -8.027 -4.225 1.00 0.00 N ATOM 1271 CA MET A 85 -0.995 -7.388 -4.777 1.00 0.00 C ATOM 1272 C MET A 85 0.228 -7.699 -3.921 1.00 0.00 C ATOM 1273 O MET A 85 1.372 -7.636 -4.374 1.00 0.00 O ATOM 1274 CB MET A 85 -1.206 -5.873 -4.880 1.00 0.00 C ATOM 1275 CG MET A 85 -2.147 -5.555 -6.042 1.00 0.00 C ATOM 1276 SD MET A 85 -2.579 -3.804 -6.257 1.00 0.00 S ATOM 1277 CE MET A 85 -1.064 -3.246 -7.072 1.00 0.00 C ATOM 0 H MET A 85 -2.885 -7.375 -3.866 1.00 0.00 H new ATOM 0 HA MET A 85 -0.821 -7.786 -5.777 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.623 -5.491 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.249 -5.373 -5.029 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.688 -5.912 -6.964 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.068 -6.122 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.036 -2.156 -7.081 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.198 -3.627 -6.531 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.044 -3.618 -8.097 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.022 -8.027 -2.660 1.00 0.00 N ATOM 1288 CA LEU A 86 0.979 -8.317 -1.658 1.00 0.00 C ATOM 1289 C LEU A 86 1.169 -9.816 -1.518 1.00 0.00 C ATOM 1290 O LEU A 86 2.270 -10.256 -1.195 1.00 0.00 O ATOM 1291 CB LEU A 86 0.475 -7.743 -0.337 1.00 0.00 C ATOM 1292 CG LEU A 86 0.689 -6.248 -0.113 1.00 0.00 C ATOM 1293 CD1 LEU A 86 2.160 -5.978 0.248 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.268 -5.393 -1.295 1.00 0.00 C ATOM 0 H LEU A 86 -0.973 -8.100 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 86 1.936 -7.879 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.593 -7.949 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.962 -8.282 0.476 1.00 0.00 H new ATOM 0 HG LEU A 86 0.043 -5.959 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.306 -4.909 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.416 -6.518 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.802 -6.315 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.448 -4.342 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.846 -5.677 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.793 -5.545 -1.494 1.00 0.00 H new ATOM 1306 N LYS A 87 0.113 -10.602 -1.738 1.00 0.00 N ATOM 1307 CA LYS A 87 0.182 -12.037 -1.651 1.00 0.00 C ATOM 1308 C LYS A 87 1.082 -12.521 -2.784 1.00 0.00 C ATOM 1309 O LYS A 87 1.978 -13.318 -2.533 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.225 -12.644 -1.776 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.838 -12.905 -0.395 1.00 0.00 C ATOM 1312 CD LYS A 87 -3.302 -13.327 -0.472 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.928 -13.325 0.929 1.00 0.00 C ATOM 1314 NZ LYS A 87 -5.333 -13.769 0.895 1.00 0.00 N ATOM 0 H LYS A 87 -0.811 -10.246 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 87 0.588 -12.347 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.867 -11.968 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.173 -13.577 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.266 -13.683 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.755 -12.003 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.850 -12.647 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.379 -14.322 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.355 -13.979 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.873 -12.322 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.725 -13.756 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.885 -13.130 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.382 -14.736 0.515 1.00 0.00 H new ATOM 1328 N GLU A 88 0.822 -12.059 -4.012 1.00 0.00 N ATOM 1329 CA GLU A 88 1.429 -12.622 -5.216 1.00 0.00 C ATOM 1330 C GLU A 88 2.760 -11.960 -5.586 1.00 0.00 C ATOM 1331 O GLU A 88 3.464 -12.491 -6.443 1.00 0.00 O ATOM 1332 CB GLU A 88 0.414 -12.632 -6.375 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.862 -13.408 -5.988 1.00 0.00 C ATOM 1334 CD GLU A 88 -1.680 -13.887 -7.189 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -1.916 -13.107 -8.138 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -2.134 -15.058 -7.170 1.00 0.00 O ATOM 0 H GLU A 88 0.184 -11.284 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 88 1.691 -13.658 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.154 -11.608 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.867 -13.087 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.582 -14.271 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.489 -12.771 -5.364 1.00 0.00 H new ATOM 1343 N GLY A 89 3.138 -10.867 -4.916 1.00 0.00 N ATOM 1344 CA GLY A 89 4.419 -10.192 -5.097 1.00 0.00 C ATOM 1345 C GLY A 89 4.405 -9.227 -6.271 1.00 0.00 C ATOM 1346 O GLY A 89 3.843 -9.524 -7.324 1.00 0.00 O ATOM 0 H GLY A 89 2.545 -10.419 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.672 -9.649 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.200 -10.936 -5.251 1.00 0.00 H new ATOM 1350 N ALA A 90 5.020 -8.056 -6.093 1.00 0.00 N ATOM 1351 CA ALA A 90 4.818 -6.929 -7.000 1.00 0.00 C ATOM 1352 C ALA A 90 6.100 -6.273 -7.467 1.00 0.00 C ATOM 1353 O ALA A 90 7.060 -6.212 -6.699 1.00 0.00 O ATOM 1354 CB ALA A 90 4.023 -5.871 -6.252 1.00 0.00 C ATOM 0 H ALA A 90 5.664 -7.865 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 90 4.311 -7.321 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.855 -5.014 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.063 -6.287 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.580 -5.553 -5.371 1.00 0.00 H new ATOM 1360 N GLN A 91 6.043 -5.643 -8.644 1.00 0.00 N ATOM 1361 CA GLN A 91 7.028 -4.681 -9.082 1.00 0.00 C ATOM 1362 C GLN A 91 6.794 -3.475 -8.191 1.00 0.00 C ATOM 1363 O GLN A 91 5.651 -3.029 -8.071 1.00 0.00 O ATOM 1364 CB GLN A 91 6.784 -4.253 -10.541 1.00 0.00 C ATOM 1365 CG GLN A 91 7.007 -5.321 -11.621 1.00 0.00 C ATOM 1366 CD GLN A 91 5.810 -6.257 -11.782 1.00 0.00 C ATOM 1367 OE1 GLN A 91 4.745 -5.851 -12.241 1.00 0.00 O ATOM 1368 NE2 GLN A 91 5.951 -7.520 -11.422 1.00 0.00 N ATOM 0 H GLN A 91 5.296 -5.797 -9.321 1.00 0.00 H new ATOM 0 HA GLN A 91 8.035 -5.093 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.758 -3.896 -10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.435 -3.407 -10.760 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.211 -4.832 -12.573 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.890 -5.908 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.840 -7.846 -11.042 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.171 -8.169 -11.524 1.00 0.00 H new ATOM 1377 N VAL A 92 7.841 -2.956 -7.567 1.00 0.00 N ATOM 1378 CA VAL A 92 7.748 -1.844 -6.642 1.00 0.00 C ATOM 1379 C VAL A 92 8.773 -0.815 -7.098 1.00 0.00 C ATOM 1380 O VAL A 92 9.872 -0.699 -6.558 1.00 0.00 O ATOM 1381 CB VAL A 92 7.852 -2.362 -5.192 1.00 0.00 C ATOM 1382 CG1 VAL A 92 9.068 -3.262 -4.953 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.779 -1.199 -4.200 1.00 0.00 C ATOM 0 H VAL A 92 8.792 -3.303 -7.693 1.00 0.00 H new ATOM 0 HA VAL A 92 6.785 -1.333 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 92 6.990 -3.007 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.079 -3.590 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.011 -4.132 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.980 -2.705 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.854 -1.583 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 92 8.601 -0.508 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.830 -0.676 -4.321 1.00 0.00 H new ATOM 1393 N ASP A 93 8.399 -0.099 -8.151 1.00 0.00 N ATOM 1394 CA ASP A 93 9.165 1.031 -8.634 1.00 0.00 C ATOM 1395 C ASP A 93 8.979 2.157 -7.638 1.00 0.00 C ATOM 1396 O ASP A 93 7.898 2.314 -7.057 1.00 0.00 O ATOM 1397 CB ASP A 93 8.696 1.482 -10.024 1.00 0.00 C ATOM 1398 CG ASP A 93 9.504 0.840 -11.151 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.758 0.921 -11.133 1.00 0.00 O ATOM 1400 OD2 ASP A 93 8.907 0.327 -12.118 1.00 0.00 O ATOM 0 H ASP A 93 7.555 -0.290 -8.691 1.00 0.00 H new ATOM 0 HA ASP A 93 10.214 0.750 -8.728 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.643 1.231 -10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.776 2.567 -10.097 1.00 0.00 H new ATOM 1405 N LEU A 94 10.011 2.982 -7.480 1.00 0.00 N ATOM 1406 CA LEU A 94 9.936 4.207 -6.711 1.00 0.00 C ATOM 1407 C LEU A 94 10.761 5.256 -7.425 1.00 0.00 C ATOM 1408 O LEU A 94 11.996 5.260 -7.368 1.00 0.00 O ATOM 1409 CB LEU A 94 10.390 3.987 -5.266 1.00 0.00 C ATOM 1410 CG LEU A 94 10.462 5.288 -4.458 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.091 5.943 -4.329 1.00 0.00 C ATOM 1412 CD2 LEU A 94 11.029 4.999 -3.078 1.00 0.00 C ATOM 0 H LEU A 94 10.930 2.811 -7.889 1.00 0.00 H new ATOM 0 HA LEU A 94 8.903 4.550 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.702 3.298 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.371 3.511 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 94 11.114 5.982 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.180 6.862 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.704 6.175 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.408 5.261 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.080 5.924 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.385 4.287 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 94 12.030 4.578 -3.177 1.00 0.00 H new ATOM 1424 N THR A 95 10.058 6.142 -8.110 1.00 0.00 N ATOM 1425 CA THR A 95 10.617 7.352 -8.660 1.00 0.00 C ATOM 1426 C THR A 95 10.947 8.319 -7.503 1.00 0.00 C ATOM 1427 O THR A 95 10.732 8.006 -6.329 1.00 0.00 O ATOM 1428 CB THR A 95 9.628 7.915 -9.708 1.00 0.00 C ATOM 1429 OG1 THR A 95 8.834 6.912 -10.326 1.00 0.00 O ATOM 1430 CG2 THR A 95 10.355 8.647 -10.840 1.00 0.00 C ATOM 0 H THR A 95 9.062 6.032 -8.300 1.00 0.00 H new ATOM 0 HA THR A 95 11.557 7.177 -9.184 1.00 0.00 H new ATOM 0 HB THR A 95 8.992 8.593 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.229 7.328 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.625 9.027 -11.555 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.926 9.479 -10.428 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.031 7.957 -11.344 1.00 0.00 H new ATOM 1438 N ALA A 96 11.487 9.498 -7.815 1.00 0.00 N ATOM 1439 CA ALA A 96 12.058 10.462 -6.878 1.00 0.00 C ATOM 1440 C ALA A 96 11.199 10.757 -5.640 1.00 0.00 C ATOM 1441 O ALA A 96 11.737 11.058 -4.575 1.00 0.00 O ATOM 1442 CB ALA A 96 12.301 11.765 -7.642 1.00 0.00 C ATOM 0 H ALA A 96 11.540 9.822 -8.781 1.00 0.00 H new ATOM 0 HA ALA A 96 12.975 10.018 -6.490 1.00 0.00 H new ATOM 0 HB1 ALA A 96 12.728 12.508 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 12.992 11.581 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.356 12.136 -8.038 1.00 0.00 H new ATOM 1448 N ASN A 97 9.875 10.722 -5.785 1.00 0.00 N ATOM 1449 CA ASN A 97 8.886 11.090 -4.779 1.00 0.00 C ATOM 1450 C ASN A 97 7.610 10.249 -4.939 1.00 0.00 C ATOM 1451 O ASN A 97 6.612 10.539 -4.276 1.00 0.00 O ATOM 1452 CB ASN A 97 8.560 12.611 -4.830 1.00 0.00 C ATOM 1453 CG ASN A 97 9.226 13.393 -5.960 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.841 13.310 -7.127 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.292 14.110 -5.655 1.00 0.00 N ATOM 0 H ASN A 97 9.442 10.419 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 97 9.314 10.880 -3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.480 12.730 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.854 13.059 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.804 14.601 -6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.604 14.173 -4.686 1.00 0.00 H new ATOM 1462 N GLN A 98 7.589 9.241 -5.821 1.00 0.00 N ATOM 1463 CA GLN A 98 6.357 8.603 -6.271 1.00 0.00 C ATOM 1464 C GLN A 98 6.588 7.104 -6.465 1.00 0.00 C ATOM 1465 O GLN A 98 7.337 6.687 -7.346 1.00 0.00 O ATOM 1466 CB GLN A 98 5.882 9.279 -7.562 1.00 0.00 C ATOM 1467 CG GLN A 98 4.421 8.975 -7.905 1.00 0.00 C ATOM 1468 CD GLN A 98 4.030 9.596 -9.244 1.00 0.00 C ATOM 1469 OE1 GLN A 98 3.834 10.804 -9.357 1.00 0.00 O ATOM 1470 NE2 GLN A 98 3.949 8.802 -10.299 1.00 0.00 N ATOM 0 H GLN A 98 8.432 8.848 -6.240 1.00 0.00 H new ATOM 0 HA GLN A 98 5.576 8.719 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.008 10.357 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.516 8.956 -8.387 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.270 7.896 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.772 9.360 -7.119 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.113 7.800 -10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.723 9.191 -11.214 1.00 0.00 H new ATOM 1479 N LEU A 99 5.968 6.302 -5.604 1.00 0.00 N ATOM 1480 CA LEU A 99 5.884 4.851 -5.705 1.00 0.00 C ATOM 1481 C LEU A 99 5.033 4.518 -6.929 1.00 0.00 C ATOM 1482 O LEU A 99 4.056 5.219 -7.211 1.00 0.00 O ATOM 1483 CB LEU A 99 5.179 4.290 -4.451 1.00 0.00 C ATOM 1484 CG LEU A 99 5.558 2.866 -4.010 1.00 0.00 C ATOM 1485 CD1 LEU A 99 7.030 2.688 -3.651 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.714 2.481 -2.782 1.00 0.00 C ATOM 0 H LEU A 99 5.489 6.664 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 99 6.881 4.419 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.380 4.966 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.104 4.314 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 99 5.362 2.223 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.209 1.655 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.647 2.927 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.287 3.354 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.976 1.472 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.911 3.182 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.656 2.516 -3.042 1.00 0.00 H new ATOM 1498 N THR A 100 5.318 3.416 -7.609 1.00 0.00 N ATOM 1499 CA THR A 100 4.457 2.875 -8.648 1.00 0.00 C ATOM 1500 C THR A 100 4.537 1.352 -8.534 1.00 0.00 C ATOM 1501 O THR A 100 5.530 0.724 -8.903 1.00 0.00 O ATOM 1502 CB THR A 100 4.847 3.465 -10.013 1.00 0.00 C ATOM 1503 OG1 THR A 100 4.763 4.881 -9.949 1.00 0.00 O ATOM 1504 CG2 THR A 100 3.902 2.995 -11.119 1.00 0.00 C ATOM 0 H THR A 100 6.163 2.867 -7.452 1.00 0.00 H new ATOM 0 HA THR A 100 3.410 3.155 -8.533 1.00 0.00 H new ATOM 0 HB THR A 100 5.860 3.132 -10.241 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.012 5.263 -10.816 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.208 3.432 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.938 1.908 -11.191 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.885 3.309 -10.886 1.00 0.00 H new ATOM 1512 N LEU A 101 3.516 0.765 -7.912 1.00 0.00 N ATOM 1513 CA LEU A 101 3.366 -0.678 -7.787 1.00 0.00 C ATOM 1514 C LEU A 101 2.773 -1.193 -9.085 1.00 0.00 C ATOM 1515 O LEU A 101 1.905 -0.527 -9.647 1.00 0.00 O ATOM 1516 CB LEU A 101 2.428 -1.018 -6.610 1.00 0.00 C ATOM 1517 CG LEU A 101 3.130 -1.293 -5.267 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.850 -2.640 -5.193 1.00 0.00 C ATOM 1519 CD2 LEU A 101 4.167 -0.231 -4.956 1.00 0.00 C ATOM 0 H LEU A 101 2.759 1.290 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 101 4.333 -1.143 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.729 -0.193 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.838 -1.894 -6.879 1.00 0.00 H new ATOM 0 HG LEU A 101 2.314 -1.291 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.316 -2.750 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.132 -3.445 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.617 -2.686 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.643 -0.456 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.921 -0.217 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.683 0.744 -4.899 1.00 0.00 H new ATOM 1531 N ALA A 102 3.146 -2.400 -9.504 1.00 0.00 N ATOM 1532 CA ALA A 102 2.433 -3.157 -10.524 1.00 0.00 C ATOM 1533 C ALA A 102 2.462 -4.648 -10.175 1.00 0.00 C ATOM 1534 O ALA A 102 3.327 -5.099 -9.417 1.00 0.00 O ATOM 1535 CB ALA A 102 3.025 -2.869 -11.903 1.00 0.00 C ATOM 0 H ALA A 102 3.965 -2.885 -9.137 1.00 0.00 H new ATOM 0 HA ALA A 102 1.388 -2.848 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.484 -3.440 -12.658 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.937 -1.805 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.076 -3.156 -11.915 1.00 0.00 H new ATOM 1541 N THR A 103 1.452 -5.386 -10.614 1.00 0.00 N ATOM 1542 CA THR A 103 1.263 -6.819 -10.417 1.00 0.00 C ATOM 1543 C THR A 103 0.455 -7.373 -11.589 1.00 0.00 C ATOM 1544 O THR A 103 -0.177 -6.625 -12.343 1.00 0.00 O ATOM 1545 CB THR A 103 0.468 -7.103 -9.116 1.00 0.00 C ATOM 1546 OG1 THR A 103 -0.090 -5.951 -8.548 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.255 -7.876 -8.065 1.00 0.00 C ATOM 0 H THR A 103 0.691 -4.973 -11.154 1.00 0.00 H new ATOM 0 HA THR A 103 2.244 -7.289 -10.349 1.00 0.00 H new ATOM 0 HB THR A 103 -0.347 -7.747 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.378 -5.738 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.630 -8.034 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.558 -8.840 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.141 -7.307 -7.783 1.00 0.00 H new ATOM 1555 N ALA A 104 0.312 -8.700 -11.608 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.661 -9.422 -12.415 1.00 0.00 C ATOM 1557 C ALA A 104 -2.106 -8.910 -12.321 1.00 0.00 C ATOM 1558 O ALA A 104 -2.908 -9.240 -13.191 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.635 -10.889 -11.983 1.00 0.00 C ATOM 0 H ALA A 104 0.892 -9.318 -11.041 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.366 -9.272 -13.453 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.356 -11.455 -12.573 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.363 -11.297 -12.141 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.893 -10.962 -10.927 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.475 -8.151 -11.285 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.778 -7.507 -11.214 1.00 0.00 C ATOM 1567 C LYS A 105 -3.703 -6.148 -11.892 1.00 0.00 C ATOM 1568 O LYS A 105 -4.304 -5.968 -12.952 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.280 -7.419 -9.761 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.091 -8.660 -9.348 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.561 -8.487 -9.762 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.295 -9.827 -9.846 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.731 -9.628 -10.128 1.00 0.00 N ATOM 0 H LYS A 105 -1.878 -7.970 -10.478 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.513 -8.111 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.428 -7.305 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.898 -6.529 -9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.674 -9.550 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.023 -8.807 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.066 -7.841 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.609 -7.986 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.849 -10.441 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.177 -10.370 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.206 -10.552 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.159 -9.061 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.841 -9.131 -11.035 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.068 -5.177 -11.234 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.224 -3.749 -11.506 1.00 0.00 C ATOM 1589 C GLN A 106 -1.930 -3.011 -11.162 1.00 0.00 C ATOM 1590 O GLN A 106 -0.975 -3.622 -10.683 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.431 -3.193 -10.711 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.770 -3.478 -11.422 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.016 -3.214 -10.585 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -8.062 -2.859 -11.118 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -6.962 -3.406 -9.280 1.00 0.00 N ATOM 0 H GLN A 106 -2.413 -5.369 -10.476 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.423 -3.594 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.446 -3.638 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.313 -2.118 -10.577 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.821 -2.868 -12.324 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.780 -4.520 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.089 -3.701 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.794 -3.259 -8.708 1.00 0.00 H new ATOM 1604 N THR A 107 -1.911 -1.692 -11.361 1.00 0.00 N ATOM 1605 CA THR A 107 -0.782 -0.823 -11.046 1.00 0.00 C ATOM 1606 C THR A 107 -1.286 0.445 -10.336 1.00 0.00 C ATOM 1607 O THR A 107 -2.219 1.100 -10.803 1.00 0.00 O ATOM 1608 CB THR A 107 0.072 -0.578 -12.311 1.00 0.00 C ATOM 1609 OG1 THR A 107 1.075 0.378 -12.066 1.00 0.00 O ATOM 1610 CG2 THR A 107 -0.732 -0.126 -13.534 1.00 0.00 C ATOM 0 H THR A 107 -2.704 -1.187 -11.757 1.00 0.00 H new ATOM 0 HA THR A 107 -0.104 -1.301 -10.339 1.00 0.00 H new ATOM 0 HB THR A 107 0.506 -1.551 -12.542 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.495 0.197 -11.199 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.058 0.024 -14.377 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.468 -0.889 -13.788 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.243 0.810 -13.308 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.740 0.743 -9.155 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.165 1.793 -8.238 1.00 0.00 C ATOM 1620 C LEU A 108 -0.024 2.776 -8.035 1.00 0.00 C ATOM 1621 O LEU A 108 1.141 2.372 -7.997 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.525 1.172 -6.879 1.00 0.00 C ATOM 1623 CG LEU A 108 -3.009 0.839 -6.735 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.547 -0.127 -7.792 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.268 0.279 -5.337 1.00 0.00 C ATOM 0 H LEU A 108 0.060 0.223 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.032 2.305 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.941 0.262 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.237 1.862 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.548 1.773 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.607 -0.308 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.414 0.307 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.003 -1.070 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.326 0.040 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.676 -0.625 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.987 1.021 -4.590 1.00 0.00 H new ATOM 1637 N THR A 109 -0.374 4.034 -7.798 1.00 0.00 N ATOM 1638 CA THR A 109 0.564 5.138 -7.723 1.00 0.00 C ATOM 1639 C THR A 109 0.436 5.785 -6.344 1.00 0.00 C ATOM 1640 O THR A 109 -0.655 6.187 -5.930 1.00 0.00 O ATOM 1641 CB THR A 109 0.279 6.113 -8.873 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.269 5.437 -10.117 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.344 7.207 -8.934 1.00 0.00 C ATOM 0 H THR A 109 -1.342 4.318 -7.650 1.00 0.00 H new ATOM 0 HA THR A 109 1.595 4.803 -7.837 1.00 0.00 H new ATOM 0 HB THR A 109 -0.699 6.556 -8.684 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.084 6.077 -10.836 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.121 7.886 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.349 7.762 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.323 6.754 -9.093 1.00 0.00 H new ATOM 1651 N TYR A 110 1.550 5.883 -5.617 1.00 0.00 N ATOM 1652 CA TYR A 110 1.582 6.475 -4.286 1.00 0.00 C ATOM 1653 C TYR A 110 2.605 7.596 -4.255 1.00 0.00 C ATOM 1654 O TYR A 110 3.483 7.665 -5.111 1.00 0.00 O ATOM 1655 CB TYR A 110 1.908 5.443 -3.205 1.00 0.00 C ATOM 1656 CG TYR A 110 1.005 4.234 -3.106 1.00 0.00 C ATOM 1657 CD1 TYR A 110 1.092 3.190 -4.049 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.130 4.125 -2.011 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.319 2.032 -3.879 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.647 2.975 -1.828 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.537 1.914 -2.759 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.184 0.738 -2.561 1.00 0.00 O ATOM 0 H TYR A 110 2.459 5.551 -5.940 1.00 0.00 H new ATOM 0 HA TYR A 110 0.588 6.868 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.926 5.091 -3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.899 5.951 -2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.751 3.281 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.056 4.937 -1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.377 1.232 -4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.321 2.898 -0.988 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.736 0.800 -1.754 1.00 0.00 H new ATOM 1672 N LYS A 111 2.536 8.452 -3.238 1.00 0.00 N ATOM 1673 CA LYS A 111 3.331 9.671 -3.164 1.00 0.00 C ATOM 1674 C LYS A 111 4.047 9.709 -1.830 1.00 0.00 C ATOM 1675 O LYS A 111 3.407 9.381 -0.831 1.00 0.00 O ATOM 1676 CB LYS A 111 2.358 10.848 -3.285 1.00 0.00 C ATOM 1677 CG LYS A 111 2.871 11.994 -4.172 1.00 0.00 C ATOM 1678 CD LYS A 111 3.587 13.100 -3.398 1.00 0.00 C ATOM 1679 CE LYS A 111 2.634 13.881 -2.479 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.606 14.647 -3.210 1.00 0.00 N ATOM 0 H LYS A 111 1.921 8.316 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 111 4.078 9.716 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.413 10.485 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.150 11.238 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.553 11.586 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.029 12.428 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.387 12.663 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.055 13.788 -4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.142 13.183 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.216 14.566 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.086 15.253 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.063 15.239 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.944 13.989 -3.669 1.00 0.00 H new ATOM 1694 N LEU A 112 5.306 10.150 -1.800 1.00 0.00 N ATOM 1695 CA LEU A 112 6.147 10.364 -0.617 1.00 0.00 C ATOM 1696 C LEU A 112 5.657 11.598 0.164 1.00 0.00 C ATOM 1697 O LEU A 112 6.432 12.490 0.524 1.00 0.00 O ATOM 1698 CB LEU A 112 7.617 10.497 -1.080 1.00 0.00 C ATOM 1699 CG LEU A 112 8.672 10.558 0.050 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.849 9.233 0.795 1.00 0.00 C ATOM 1701 CD2 LEU A 112 10.011 11.031 -0.523 1.00 0.00 C ATOM 0 H LEU A 112 5.801 10.384 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 112 6.080 9.518 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.853 9.652 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.708 11.398 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 112 8.304 11.271 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.604 9.351 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.902 8.942 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.167 8.461 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.753 11.074 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.344 10.334 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.890 12.022 -0.959 1.00 0.00 H new ATOM 1713 N ALA A 113 4.351 11.697 0.398 1.00 0.00 N ATOM 1714 CA ALA A 113 3.777 12.625 1.347 1.00 0.00 C ATOM 1715 C ALA A 113 3.971 12.010 2.723 1.00 0.00 C ATOM 1716 O ALA A 113 3.065 11.368 3.254 1.00 0.00 O ATOM 1717 CB ALA A 113 2.303 12.887 1.005 1.00 0.00 C ATOM 0 H ALA A 113 3.657 11.121 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 113 4.262 13.601 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.881 13.587 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.232 13.311 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.749 11.949 1.043 1.00 0.00 H new ATOM 1723 N ASP A 114 5.160 12.184 3.302 1.00 0.00 N ATOM 1724 CA ASP A 114 5.400 11.749 4.667 1.00 0.00 C ATOM 1725 C ASP A 114 5.029 12.891 5.576 1.00 0.00 C ATOM 1726 O ASP A 114 5.827 13.781 5.887 1.00 0.00 O ATOM 1727 CB ASP A 114 6.806 11.232 4.935 1.00 0.00 C ATOM 1728 CG ASP A 114 6.879 10.558 6.310 1.00 0.00 C ATOM 1729 OD1 ASP A 114 6.092 10.895 7.226 1.00 0.00 O ATOM 1730 OD2 ASP A 114 7.652 9.582 6.450 1.00 0.00 O ATOM 0 H ASP A 114 5.962 12.620 2.847 1.00 0.00 H new ATOM 0 HA ASP A 114 4.777 10.876 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.092 10.521 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.517 12.057 4.890 1.00 0.00 H new