USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 750 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 43 HIS : no HD1:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 1.2: A 76 THR OG1 : rot 4:sc= -1.21! USER MOD Single : A 21 TYR OH : rot 28:sc= -0.785 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.593! C(o=-0.59!,f=-0.56!) USER MOD Single : A 31 SER OG : rot -28:sc= 1.01 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= -0.481 (180deg=-0.481) USER MOD Single : A 40 MET CE :methyl -170:sc= -0.0222 (180deg=-0.259) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc=0.000692 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 81:sc= 0.492 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 83:sc= -2.14! USER MOD Single : A 53 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.4!) USER MOD Single : A 55 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.083) USER MOD Single : A 59 MET CE :methyl 161:sc= -3.22! (180deg=-4.08!) USER MOD Single : A 60 ASN : amide:sc= -4.33! C(o=-4.3!,f=-9.1!) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -2.01! K(o=-2!,f=-0.0068) USER MOD Single : A 75 HIS : no HD1:sc= -9.13! C(o=-9.1!,f=-5.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -140:sc= -6.73! (180deg=-10.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B2706 ASN : amide:sc= -0.0812 K(o=-0.081,f=-1.3!) USER MOD Single : B2716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 16.339 -0.659 -2.937 1.00 0.96 N ATOM 2 CA GLU A 20 16.133 -0.223 -1.532 1.00 0.70 C ATOM 3 C GLU A 20 14.681 0.178 -1.289 1.00 0.59 C ATOM 4 O GLU A 20 13.937 -0.536 -0.618 1.00 0.67 O ATOM 5 CB GLU A 20 17.063 0.948 -1.200 1.00 1.25 C ATOM 6 CG GLU A 20 18.533 0.562 -1.153 1.00 1.46 C ATOM 7 CD GLU A 20 18.821 -0.506 -0.116 1.00 1.47 C ATOM 8 OE1 GLU A 20 18.958 -0.155 1.074 1.00 2.00 O ATOM 9 OE2 GLU A 20 18.903 -1.694 -0.494 1.00 1.24 O ATOM 0 HA GLU A 20 16.369 -1.064 -0.879 1.00 0.70 H new ATOM 0 HB2 GLU A 20 16.925 1.733 -1.944 1.00 1.25 H new ATOM 0 HB3 GLU A 20 16.775 1.368 -0.236 1.00 1.25 H new ATOM 0 HG2 GLU A 20 18.842 0.203 -2.135 1.00 1.46 H new ATOM 0 HG3 GLU A 20 19.131 1.447 -0.934 1.00 1.46 H new ATOM 16 N TYR A 21 14.284 1.321 -1.842 1.00 0.54 N ATOM 17 CA TYR A 21 12.921 1.817 -1.684 1.00 0.47 C ATOM 18 C TYR A 21 12.229 1.950 -3.035 1.00 0.46 C ATOM 19 O TYR A 21 12.823 2.418 -4.007 1.00 0.54 O ATOM 20 CB TYR A 21 12.922 3.173 -0.972 1.00 0.47 C ATOM 21 CG TYR A 21 13.082 3.082 0.530 1.00 0.51 C ATOM 22 CD1 TYR A 21 11.986 2.846 1.349 1.00 0.49 C ATOM 23 CD2 TYR A 21 14.326 3.243 1.128 1.00 0.68 C ATOM 24 CE1 TYR A 21 12.123 2.772 2.721 1.00 0.59 C ATOM 25 CE2 TYR A 21 14.472 3.168 2.500 1.00 0.79 C ATOM 26 CZ TYR A 21 13.367 2.934 3.291 1.00 0.72 C ATOM 27 OH TYR A 21 13.505 2.861 4.658 1.00 0.86 O ATOM 0 H TYR A 21 14.888 1.921 -2.404 1.00 0.54 H new ATOM 0 HA TYR A 21 12.372 1.095 -1.079 1.00 0.47 H new ATOM 0 HB2 TYR A 21 13.730 3.783 -1.376 1.00 0.47 H new ATOM 0 HB3 TYR A 21 11.989 3.690 -1.197 1.00 0.47 H new ATOM 0 HD1 TYR A 21 11.010 2.718 0.905 1.00 0.49 H new ATOM 0 HD2 TYR A 21 15.192 3.430 0.511 1.00 0.68 H new ATOM 0 HE1 TYR A 21 11.260 2.588 3.344 1.00 0.59 H new ATOM 0 HE2 TYR A 21 15.446 3.292 2.950 1.00 0.79 H new ATOM 0 HH TYR A 21 12.805 2.282 5.027 1.00 0.86 H new ATOM 37 N ILE A 22 10.969 1.531 -3.087 1.00 0.45 N ATOM 38 CA ILE A 22 10.181 1.611 -4.312 1.00 0.47 C ATOM 39 C ILE A 22 9.106 2.685 -4.187 1.00 0.46 C ATOM 40 O ILE A 22 8.777 3.116 -3.082 1.00 0.50 O ATOM 41 CB ILE A 22 9.512 0.261 -4.653 1.00 0.55 C ATOM 42 CG1 ILE A 22 8.711 -0.260 -3.456 1.00 0.57 C ATOM 43 CG2 ILE A 22 10.560 -0.757 -5.082 1.00 0.62 C ATOM 44 CD1 ILE A 22 7.838 -1.451 -3.781 1.00 0.68 C ATOM 0 H ILE A 22 10.470 1.131 -2.292 1.00 0.45 H new ATOM 0 HA ILE A 22 10.868 1.869 -5.118 1.00 0.47 H new ATOM 0 HB ILE A 22 8.823 0.416 -5.483 1.00 0.55 H new ATOM 0 HG12 ILE A 22 9.402 -0.534 -2.659 1.00 0.57 H new ATOM 0 HG13 ILE A 22 8.084 0.545 -3.072 1.00 0.57 H new ATOM 0 HG21 ILE A 22 10.073 -1.703 -5.319 1.00 0.62 H new ATOM 0 HG22 ILE A 22 11.086 -0.389 -5.963 1.00 0.62 H new ATOM 0 HG23 ILE A 22 11.273 -0.909 -4.272 1.00 0.62 H new ATOM 0 HD11 ILE A 22 7.301 -1.764 -2.885 1.00 0.68 H new ATOM 0 HD12 ILE A 22 7.122 -1.177 -4.556 1.00 0.68 H new ATOM 0 HD13 ILE A 22 8.460 -2.272 -4.137 1.00 0.68 H new ATOM 56 N LYS A 23 8.563 3.120 -5.321 1.00 0.47 N ATOM 57 CA LYS A 23 7.527 4.147 -5.319 1.00 0.49 C ATOM 58 C LYS A 23 6.174 3.564 -5.712 1.00 0.42 C ATOM 59 O LYS A 23 5.920 3.289 -6.885 1.00 0.51 O ATOM 60 CB LYS A 23 7.896 5.294 -6.265 1.00 0.64 C ATOM 61 CG LYS A 23 6.950 6.484 -6.177 1.00 0.75 C ATOM 62 CD LYS A 23 7.173 7.473 -7.312 1.00 0.95 C ATOM 63 CE LYS A 23 8.494 8.213 -7.166 1.00 1.11 C ATOM 64 NZ LYS A 23 8.700 9.201 -8.262 1.00 1.37 N ATOM 0 H LYS A 23 8.821 2.780 -6.247 1.00 0.47 H new ATOM 0 HA LYS A 23 7.453 4.538 -4.304 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.909 5.628 -6.040 1.00 0.64 H new ATOM 0 HB3 LYS A 23 7.903 4.921 -7.289 1.00 0.64 H new ATOM 0 HG2 LYS A 23 5.919 6.131 -6.201 1.00 0.75 H new ATOM 0 HG3 LYS A 23 7.091 6.990 -5.222 1.00 0.75 H new ATOM 0 HD2 LYS A 23 7.157 6.943 -8.264 1.00 0.95 H new ATOM 0 HD3 LYS A 23 6.354 8.192 -7.334 1.00 0.95 H new ATOM 0 HE2 LYS A 23 8.518 8.726 -6.205 1.00 1.11 H new ATOM 0 HE3 LYS A 23 9.314 7.495 -7.165 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 9.611 9.684 -8.127 1.00 1.37 H new ATOM 0 HZ2 LYS A 23 8.702 8.708 -9.178 1.00 1.37 H new ATOM 0 HZ3 LYS A 23 7.931 9.901 -8.247 1.00 1.37 H new ATOM 78 N LEU A 24 5.315 3.366 -4.720 1.00 0.35 N ATOM 79 CA LEU A 24 3.982 2.832 -4.956 1.00 0.33 C ATOM 80 C LEU A 24 2.939 3.929 -4.787 1.00 0.33 C ATOM 81 O LEU A 24 2.712 4.416 -3.679 1.00 0.34 O ATOM 82 CB LEU A 24 3.691 1.672 -4.001 1.00 0.35 C ATOM 83 CG LEU A 24 4.449 0.375 -4.299 1.00 0.39 C ATOM 84 CD1 LEU A 24 4.199 -0.651 -3.206 1.00 0.49 C ATOM 85 CD2 LEU A 24 4.043 -0.184 -5.653 1.00 0.42 C ATOM 0 H LEU A 24 5.520 3.568 -3.741 1.00 0.35 H new ATOM 0 HA LEU A 24 3.935 2.457 -5.978 1.00 0.33 H new ATOM 0 HB2 LEU A 24 3.931 1.989 -2.986 1.00 0.35 H new ATOM 0 HB3 LEU A 24 2.622 1.463 -4.025 1.00 0.35 H new ATOM 0 HG LEU A 24 5.515 0.600 -4.325 1.00 0.39 H new ATOM 0 HD11 LEU A 24 4.745 -1.566 -3.434 1.00 0.49 H new ATOM 0 HD12 LEU A 24 4.539 -0.254 -2.250 1.00 0.49 H new ATOM 0 HD13 LEU A 24 3.133 -0.870 -3.149 1.00 0.49 H new ATOM 0 HD21 LEU A 24 4.593 -1.105 -5.846 1.00 0.42 H new ATOM 0 HD22 LEU A 24 2.973 -0.393 -5.655 1.00 0.42 H new ATOM 0 HD23 LEU A 24 4.272 0.545 -6.431 1.00 0.42 H new ATOM 97 N LYS A 25 2.318 4.322 -5.893 1.00 0.37 N ATOM 98 CA LYS A 25 1.303 5.369 -5.871 1.00 0.41 C ATOM 99 C LYS A 25 -0.044 4.826 -5.412 1.00 0.42 C ATOM 100 O LYS A 25 -0.823 4.316 -6.217 1.00 0.46 O ATOM 101 CB LYS A 25 1.154 6.004 -7.254 1.00 0.48 C ATOM 102 CG LYS A 25 2.122 7.142 -7.516 1.00 0.50 C ATOM 103 CD LYS A 25 1.714 7.934 -8.745 1.00 0.64 C ATOM 104 CE LYS A 25 2.565 9.180 -8.911 1.00 0.67 C ATOM 105 NZ LYS A 25 2.082 10.037 -10.029 1.00 0.85 N ATOM 0 H LYS A 25 2.500 3.931 -6.817 1.00 0.37 H new ATOM 0 HA LYS A 25 1.632 6.127 -5.160 1.00 0.41 H new ATOM 0 HB2 LYS A 25 1.298 5.235 -8.013 1.00 0.48 H new ATOM 0 HB3 LYS A 25 0.135 6.374 -7.365 1.00 0.48 H new ATOM 0 HG2 LYS A 25 2.156 7.802 -6.649 1.00 0.50 H new ATOM 0 HG3 LYS A 25 3.127 6.744 -7.653 1.00 0.50 H new ATOM 0 HD2 LYS A 25 1.809 7.307 -9.631 1.00 0.64 H new ATOM 0 HD3 LYS A 25 0.664 8.217 -8.665 1.00 0.64 H new ATOM 0 HE2 LYS A 25 2.555 9.753 -7.984 1.00 0.67 H new ATOM 0 HE3 LYS A 25 3.600 8.891 -9.096 1.00 0.67 H new ATOM 0 HZ1 LYS A 25 2.689 10.877 -10.110 1.00 0.85 H new ATOM 0 HZ2 LYS A 25 2.116 9.499 -10.918 1.00 0.85 H new ATOM 0 HZ3 LYS A 25 1.103 10.334 -9.841 1.00 0.85 H new ATOM 119 N VAL A 26 -0.311 4.932 -4.115 1.00 0.42 N ATOM 120 CA VAL A 26 -1.574 4.465 -3.561 1.00 0.45 C ATOM 121 C VAL A 26 -2.655 5.523 -3.771 1.00 0.49 C ATOM 122 O VAL A 26 -2.745 6.504 -3.029 1.00 0.49 O ATOM 123 CB VAL A 26 -1.448 4.115 -2.063 1.00 0.44 C ATOM 124 CG1 VAL A 26 -2.803 3.759 -1.469 1.00 0.48 C ATOM 125 CG2 VAL A 26 -0.466 2.968 -1.871 1.00 0.43 C ATOM 0 H VAL A 26 0.328 5.336 -3.431 1.00 0.42 H new ATOM 0 HA VAL A 26 -1.854 3.552 -4.086 1.00 0.45 H new ATOM 0 HB VAL A 26 -1.071 4.993 -1.539 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.685 3.517 -0.413 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -3.480 4.607 -1.573 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -3.216 2.898 -1.995 1.00 0.48 H new ATOM 0 HG21 VAL A 26 -0.386 2.731 -0.810 1.00 0.43 H new ATOM 0 HG22 VAL A 26 -0.820 2.091 -2.413 1.00 0.43 H new ATOM 0 HG23 VAL A 26 0.513 3.259 -2.252 1.00 0.43 H new ATOM 135 N ILE A 27 -3.454 5.316 -4.808 1.00 0.54 N ATOM 136 CA ILE A 27 -4.519 6.236 -5.165 1.00 0.59 C ATOM 137 C ILE A 27 -5.865 5.751 -4.656 1.00 0.63 C ATOM 138 O ILE A 27 -6.330 4.675 -5.032 1.00 0.67 O ATOM 139 CB ILE A 27 -4.603 6.414 -6.685 1.00 0.65 C ATOM 140 CG1 ILE A 27 -3.363 7.154 -7.185 1.00 0.64 C ATOM 141 CG2 ILE A 27 -5.859 7.177 -7.050 1.00 0.72 C ATOM 142 CD1 ILE A 27 -3.360 7.407 -8.679 1.00 0.72 C ATOM 0 H ILE A 27 -3.381 4.506 -5.424 1.00 0.54 H new ATOM 0 HA ILE A 27 -4.282 7.191 -4.696 1.00 0.59 H new ATOM 0 HB ILE A 27 -4.644 5.434 -7.161 1.00 0.65 H new ATOM 0 HG12 ILE A 27 -3.287 8.109 -6.665 1.00 0.64 H new ATOM 0 HG13 ILE A 27 -2.477 6.576 -6.922 1.00 0.64 H new ATOM 0 HG21 ILE A 27 -5.909 7.298 -8.132 1.00 0.72 H new ATOM 0 HG22 ILE A 27 -6.733 6.625 -6.706 1.00 0.72 H new ATOM 0 HG23 ILE A 27 -5.840 8.158 -6.575 1.00 0.72 H new ATOM 0 HD11 ILE A 27 -2.448 7.936 -8.957 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -3.403 6.456 -9.209 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -4.226 8.012 -8.947 1.00 0.72 H new ATOM 154 N GLY A 28 -6.486 6.559 -3.803 1.00 0.64 N ATOM 155 CA GLY A 28 -7.780 6.208 -3.247 1.00 0.69 C ATOM 156 C GLY A 28 -8.924 6.471 -4.207 1.00 0.77 C ATOM 157 O GLY A 28 -8.706 6.664 -5.403 1.00 0.79 O ATOM 0 H GLY A 28 -6.114 7.454 -3.486 1.00 0.64 H new ATOM 0 HA2 GLY A 28 -7.778 5.153 -2.972 1.00 0.69 H new ATOM 0 HA3 GLY A 28 -7.943 6.776 -2.331 1.00 0.69 H new ATOM 161 N GLN A 29 -10.148 6.488 -3.684 1.00 0.82 N ATOM 162 CA GLN A 29 -11.313 6.722 -4.525 1.00 0.90 C ATOM 163 C GLN A 29 -12.027 8.013 -4.159 1.00 0.92 C ATOM 164 O GLN A 29 -13.252 8.055 -4.063 1.00 0.99 O ATOM 165 CB GLN A 29 -12.277 5.539 -4.423 1.00 0.96 C ATOM 166 CG GLN A 29 -12.982 5.251 -5.730 1.00 1.04 C ATOM 167 CD GLN A 29 -12.005 5.183 -6.888 1.00 1.02 C ATOM 168 OE1 GLN A 29 -11.189 4.264 -6.976 1.00 1.00 O ATOM 169 NE2 GLN A 29 -12.069 6.173 -7.775 1.00 1.05 N ATOM 0 H GLN A 29 -10.355 6.344 -2.696 1.00 0.82 H new ATOM 0 HA GLN A 29 -10.965 6.821 -5.553 1.00 0.90 H new ATOM 0 HB2 GLN A 29 -11.727 4.652 -4.108 1.00 0.96 H new ATOM 0 HB3 GLN A 29 -13.019 5.745 -3.651 1.00 0.96 H new ATOM 0 HG2 GLN A 29 -13.522 4.307 -5.653 1.00 1.04 H new ATOM 0 HG3 GLN A 29 -13.723 6.027 -5.923 1.00 1.04 H new ATOM 0 HE21 GLN A 29 -12.761 6.914 -7.663 1.00 1.05 H new ATOM 0 HE22 GLN A 29 -11.426 6.191 -8.567 1.00 1.05 H new ATOM 178 N ASP A 30 -11.244 9.066 -3.963 1.00 0.88 N ATOM 179 CA ASP A 30 -11.769 10.377 -3.605 1.00 0.92 C ATOM 180 C ASP A 30 -10.691 11.443 -3.774 1.00 0.89 C ATOM 181 O ASP A 30 -10.705 12.478 -3.102 1.00 0.91 O ATOM 182 CB ASP A 30 -12.293 10.360 -2.159 1.00 0.92 C ATOM 183 CG ASP A 30 -11.316 9.727 -1.181 1.00 0.86 C ATOM 184 OD1 ASP A 30 -10.190 9.378 -1.598 1.00 0.81 O ATOM 185 OD2 ASP A 30 -11.676 9.579 0.009 1.00 0.88 O ATOM 0 H ASP A 30 -10.228 9.035 -4.048 1.00 0.88 H new ATOM 0 HA ASP A 30 -12.598 10.619 -4.271 1.00 0.92 H new ATOM 0 HB2 ASP A 30 -12.505 11.381 -1.843 1.00 0.92 H new ATOM 0 HB3 ASP A 30 -13.236 9.814 -2.126 1.00 0.92 H new ATOM 190 N SER A 31 -9.767 11.170 -4.695 1.00 0.87 N ATOM 191 CA SER A 31 -8.652 12.059 -5.014 1.00 0.86 C ATOM 192 C SER A 31 -7.577 12.093 -3.919 1.00 0.80 C ATOM 193 O SER A 31 -6.702 12.967 -3.911 1.00 0.81 O ATOM 194 CB SER A 31 -9.165 13.474 -5.298 1.00 0.93 C ATOM 195 OG SER A 31 -8.107 14.328 -5.694 1.00 0.95 O ATOM 0 H SER A 31 -9.773 10.313 -5.248 1.00 0.87 H new ATOM 0 HA SER A 31 -8.176 11.655 -5.907 1.00 0.86 H new ATOM 0 HB2 SER A 31 -9.922 13.440 -6.082 1.00 0.93 H new ATOM 0 HB3 SER A 31 -9.647 13.876 -4.407 1.00 0.93 H new ATOM 0 HG SER A 31 -7.268 14.016 -5.295 1.00 0.95 H new ATOM 201 N SER A 32 -7.650 11.133 -3.001 1.00 0.75 N ATOM 202 CA SER A 32 -6.687 11.024 -1.915 1.00 0.71 C ATOM 203 C SER A 32 -5.481 10.229 -2.395 1.00 0.65 C ATOM 204 O SER A 32 -5.531 9.002 -2.458 1.00 0.62 O ATOM 205 CB SER A 32 -7.323 10.313 -0.720 1.00 0.71 C ATOM 206 OG SER A 32 -6.361 10.038 0.283 1.00 0.69 O ATOM 0 H SER A 32 -8.374 10.415 -2.990 1.00 0.75 H new ATOM 0 HA SER A 32 -6.375 12.022 -1.609 1.00 0.71 H new ATOM 0 HB2 SER A 32 -8.118 10.933 -0.305 1.00 0.71 H new ATOM 0 HB3 SER A 32 -7.784 9.382 -1.050 1.00 0.71 H new ATOM 0 HG SER A 32 -6.794 9.585 1.036 1.00 0.69 H new ATOM 212 N GLU A 33 -4.385 10.919 -2.724 1.00 0.64 N ATOM 213 CA GLU A 33 -3.185 10.228 -3.194 1.00 0.59 C ATOM 214 C GLU A 33 -2.087 10.298 -2.141 1.00 0.55 C ATOM 215 O GLU A 33 -1.996 11.277 -1.410 1.00 0.69 O ATOM 216 CB GLU A 33 -2.687 10.837 -4.511 1.00 0.64 C ATOM 217 CG GLU A 33 -1.549 10.053 -5.152 1.00 0.56 C ATOM 218 CD GLU A 33 -1.042 10.689 -6.432 1.00 0.64 C ATOM 219 OE1 GLU A 33 -1.759 10.625 -7.452 1.00 1.12 O ATOM 220 OE2 GLU A 33 0.077 11.246 -6.417 1.00 0.84 O ATOM 0 H GLU A 33 -4.305 11.935 -2.675 1.00 0.64 H new ATOM 0 HA GLU A 33 -3.442 9.183 -3.370 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -3.519 10.894 -5.213 1.00 0.64 H new ATOM 0 HB3 GLU A 33 -2.355 11.859 -4.327 1.00 0.64 H new ATOM 0 HG2 GLU A 33 -0.726 9.971 -4.442 1.00 0.56 H new ATOM 0 HG3 GLU A 33 -1.888 9.039 -5.365 1.00 0.56 H new ATOM 227 N ILE A 34 -1.278 9.241 -2.045 1.00 0.45 N ATOM 228 CA ILE A 34 -0.174 9.191 -1.083 1.00 0.41 C ATOM 229 C ILE A 34 0.998 8.390 -1.653 1.00 0.37 C ATOM 230 O ILE A 34 0.797 7.325 -2.241 1.00 0.34 O ATOM 231 CB ILE A 34 -0.605 8.554 0.268 1.00 0.42 C ATOM 232 CG1 ILE A 34 -1.753 9.346 0.905 1.00 0.48 C ATOM 233 CG2 ILE A 34 0.578 8.480 1.229 1.00 0.49 C ATOM 234 CD1 ILE A 34 -2.219 8.797 2.235 1.00 0.57 C ATOM 0 H ILE A 34 -1.367 8.406 -2.623 1.00 0.45 H new ATOM 0 HA ILE A 34 0.129 10.222 -0.899 1.00 0.41 H new ATOM 0 HB ILE A 34 -0.955 7.542 0.065 1.00 0.42 H new ATOM 0 HG12 ILE A 34 -1.435 10.379 1.042 1.00 0.48 H new ATOM 0 HG13 ILE A 34 -2.596 9.361 0.215 1.00 0.48 H new ATOM 0 HG21 ILE A 34 0.256 8.031 2.169 1.00 0.49 H new ATOM 0 HG22 ILE A 34 1.367 7.871 0.788 1.00 0.49 H new ATOM 0 HG23 ILE A 34 0.957 9.484 1.418 1.00 0.49 H new ATOM 0 HD11 ILE A 34 -3.032 9.413 2.618 1.00 0.57 H new ATOM 0 HD12 ILE A 34 -2.570 7.774 2.103 1.00 0.57 H new ATOM 0 HD13 ILE A 34 -1.391 8.808 2.943 1.00 0.57 H new ATOM 246 N HIS A 35 2.225 8.898 -1.484 1.00 0.41 N ATOM 247 CA HIS A 35 3.405 8.185 -1.975 1.00 0.40 C ATOM 248 C HIS A 35 3.910 7.217 -0.915 1.00 0.40 C ATOM 249 O HIS A 35 4.119 7.595 0.239 1.00 0.58 O ATOM 250 CB HIS A 35 4.522 9.158 -2.362 1.00 0.54 C ATOM 251 CG HIS A 35 4.401 9.703 -3.754 1.00 0.61 C ATOM 252 ND1 HIS A 35 5.112 10.788 -4.217 1.00 0.82 N ATOM 253 CD2 HIS A 35 3.637 9.286 -4.796 1.00 0.77 C ATOM 254 CE1 HIS A 35 4.767 10.990 -5.495 1.00 0.90 C ATOM 255 NE2 HIS A 35 3.874 10.107 -5.894 1.00 0.91 N ATOM 0 H HIS A 35 2.423 9.784 -1.019 1.00 0.41 H new ATOM 0 HA HIS A 35 3.113 7.629 -2.866 1.00 0.40 H new ATOM 0 HB2 HIS A 35 4.527 9.989 -1.657 1.00 0.54 H new ATOM 0 HB3 HIS A 35 5.482 8.651 -2.263 1.00 0.54 H new ATOM 0 HD1 HIS A 35 5.782 11.340 -3.681 1.00 0.82 H new ATOM 0 HD2 HIS A 35 2.954 8.450 -4.776 1.00 0.77 H new ATOM 0 HE1 HIS A 35 5.169 11.775 -6.118 1.00 0.90 H new ATOM 263 N PHE A 36 4.099 5.966 -1.318 1.00 0.39 N ATOM 264 CA PHE A 36 4.553 4.927 -0.404 1.00 0.48 C ATOM 265 C PHE A 36 5.954 4.429 -0.739 1.00 0.45 C ATOM 266 O PHE A 36 6.199 3.924 -1.834 1.00 0.54 O ATOM 267 CB PHE A 36 3.586 3.740 -0.439 1.00 0.65 C ATOM 268 CG PHE A 36 2.398 3.879 0.470 1.00 0.66 C ATOM 269 CD1 PHE A 36 1.488 4.910 0.300 1.00 0.73 C ATOM 270 CD2 PHE A 36 2.189 2.970 1.494 1.00 1.39 C ATOM 271 CE1 PHE A 36 0.396 5.030 1.135 1.00 0.80 C ATOM 272 CE2 PHE A 36 1.099 3.086 2.330 1.00 1.54 C ATOM 273 CZ PHE A 36 0.201 4.117 2.150 1.00 0.99 C ATOM 0 H PHE A 36 3.944 5.647 -2.274 1.00 0.39 H new ATOM 0 HA PHE A 36 4.580 5.371 0.591 1.00 0.48 H new ATOM 0 HB2 PHE A 36 3.232 3.606 -1.461 1.00 0.65 H new ATOM 0 HB3 PHE A 36 4.131 2.835 -0.169 1.00 0.65 H new ATOM 0 HD1 PHE A 36 1.635 5.627 -0.494 1.00 0.73 H new ATOM 0 HD2 PHE A 36 2.889 2.160 1.639 1.00 1.39 H new ATOM 0 HE1 PHE A 36 -0.306 5.839 0.994 1.00 0.80 H new ATOM 0 HE2 PHE A 36 0.949 2.370 3.125 1.00 1.54 H new ATOM 0 HZ PHE A 36 -0.654 4.209 2.803 1.00 0.99 H new ATOM 283 N LYS A 37 6.872 4.581 0.212 1.00 0.43 N ATOM 284 CA LYS A 37 8.237 4.101 0.044 1.00 0.42 C ATOM 285 C LYS A 37 8.424 2.869 0.921 1.00 0.39 C ATOM 286 O LYS A 37 8.495 2.972 2.145 1.00 0.38 O ATOM 287 CB LYS A 37 9.247 5.188 0.419 1.00 0.47 C ATOM 288 CG LYS A 37 9.195 6.406 -0.487 1.00 0.56 C ATOM 289 CD LYS A 37 10.154 7.487 -0.018 1.00 0.65 C ATOM 290 CE LYS A 37 10.082 8.718 -0.906 1.00 0.80 C ATOM 291 NZ LYS A 37 10.969 9.809 -0.415 1.00 0.94 N ATOM 0 H LYS A 37 6.693 5.034 1.108 1.00 0.43 H new ATOM 0 HA LYS A 37 8.409 3.843 -1.001 1.00 0.42 H new ATOM 0 HB2 LYS A 37 9.065 5.502 1.447 1.00 0.47 H new ATOM 0 HB3 LYS A 37 10.251 4.765 0.388 1.00 0.47 H new ATOM 0 HG2 LYS A 37 9.445 6.114 -1.507 1.00 0.56 H new ATOM 0 HG3 LYS A 37 8.180 6.802 -0.508 1.00 0.56 H new ATOM 0 HD2 LYS A 37 9.918 7.764 1.009 1.00 0.65 H new ATOM 0 HD3 LYS A 37 11.172 7.097 -0.017 1.00 0.65 H new ATOM 0 HE2 LYS A 37 10.366 8.449 -1.923 1.00 0.80 H new ATOM 0 HE3 LYS A 37 9.054 9.077 -0.947 1.00 0.80 H new ATOM 0 HZ1 LYS A 37 10.891 10.631 -1.048 1.00 0.94 H new ATOM 0 HZ2 LYS A 37 10.682 10.084 0.546 1.00 0.94 H new ATOM 0 HZ3 LYS A 37 11.954 9.475 -0.400 1.00 0.94 H new ATOM 305 N VAL A 38 8.506 1.704 0.288 1.00 0.42 N ATOM 306 CA VAL A 38 8.634 0.446 1.017 1.00 0.44 C ATOM 307 C VAL A 38 9.961 -0.247 0.735 1.00 0.46 C ATOM 308 O VAL A 38 10.433 -0.264 -0.404 1.00 0.52 O ATOM 309 CB VAL A 38 7.483 -0.521 0.639 1.00 0.49 C ATOM 310 CG1 VAL A 38 7.471 -1.749 1.539 1.00 0.60 C ATOM 311 CG2 VAL A 38 6.139 0.190 0.691 1.00 0.53 C ATOM 0 H VAL A 38 8.486 1.604 -0.727 1.00 0.42 H new ATOM 0 HA VAL A 38 8.587 0.694 2.077 1.00 0.44 H new ATOM 0 HB VAL A 38 7.658 -0.856 -0.383 1.00 0.49 H new ATOM 0 HG11 VAL A 38 6.652 -2.406 1.247 1.00 0.60 H new ATOM 0 HG12 VAL A 38 8.417 -2.282 1.440 1.00 0.60 H new ATOM 0 HG13 VAL A 38 7.336 -1.439 2.575 1.00 0.60 H new ATOM 0 HG21 VAL A 38 5.347 -0.509 0.422 1.00 0.53 H new ATOM 0 HG22 VAL A 38 5.965 0.565 1.699 1.00 0.53 H new ATOM 0 HG23 VAL A 38 6.141 1.024 -0.011 1.00 0.53 H new ATOM 321 N LYS A 39 10.564 -0.809 1.783 1.00 0.47 N ATOM 322 CA LYS A 39 11.817 -1.541 1.637 1.00 0.53 C ATOM 323 C LYS A 39 11.555 -2.881 0.953 1.00 0.57 C ATOM 324 O LYS A 39 10.448 -3.416 1.024 1.00 0.65 O ATOM 325 CB LYS A 39 12.476 -1.766 2.999 1.00 0.61 C ATOM 326 CG LYS A 39 13.496 -0.701 3.368 1.00 0.53 C ATOM 327 CD LYS A 39 14.090 -0.956 4.743 1.00 1.09 C ATOM 328 CE LYS A 39 15.197 0.032 5.070 1.00 1.08 C ATOM 329 NZ LYS A 39 15.697 -0.135 6.462 1.00 1.98 N ATOM 0 H LYS A 39 10.205 -0.770 2.737 1.00 0.47 H new ATOM 0 HA LYS A 39 12.496 -0.949 1.023 1.00 0.53 H new ATOM 0 HB2 LYS A 39 11.702 -1.797 3.766 1.00 0.61 H new ATOM 0 HB3 LYS A 39 12.965 -2.740 3.000 1.00 0.61 H new ATOM 0 HG2 LYS A 39 14.292 -0.684 2.624 1.00 0.53 H new ATOM 0 HG3 LYS A 39 13.022 0.280 3.351 1.00 0.53 H new ATOM 0 HD2 LYS A 39 13.306 -0.886 5.497 1.00 1.09 H new ATOM 0 HD3 LYS A 39 14.484 -1.971 4.786 1.00 1.09 H new ATOM 0 HE2 LYS A 39 16.021 -0.102 4.370 1.00 1.08 H new ATOM 0 HE3 LYS A 39 14.827 1.049 4.937 1.00 1.08 H new ATOM 0 HZ1 LYS A 39 16.451 0.557 6.645 1.00 1.98 H new ATOM 0 HZ2 LYS A 39 14.916 0.018 7.132 1.00 1.98 H new ATOM 0 HZ3 LYS A 39 16.073 -1.097 6.583 1.00 1.98 H new ATOM 343 N MET A 40 12.576 -3.422 0.295 1.00 0.63 N ATOM 344 CA MET A 40 12.443 -4.695 -0.412 1.00 0.72 C ATOM 345 C MET A 40 12.590 -5.888 0.534 1.00 0.75 C ATOM 346 O MET A 40 12.726 -7.029 0.091 1.00 0.85 O ATOM 347 CB MET A 40 13.478 -4.784 -1.535 1.00 0.85 C ATOM 348 CG MET A 40 13.371 -3.656 -2.551 1.00 0.94 C ATOM 349 SD MET A 40 14.307 -3.979 -4.060 1.00 1.31 S ATOM 350 CE MET A 40 15.947 -4.282 -3.405 1.00 1.48 C ATOM 0 H MET A 40 13.503 -3.001 0.236 1.00 0.63 H new ATOM 0 HA MET A 40 11.441 -4.733 -0.839 1.00 0.72 H new ATOM 0 HB2 MET A 40 14.477 -4.776 -1.099 1.00 0.85 H new ATOM 0 HB3 MET A 40 13.363 -5.738 -2.050 1.00 0.85 H new ATOM 0 HG2 MET A 40 12.323 -3.502 -2.806 1.00 0.94 H new ATOM 0 HG3 MET A 40 13.729 -2.731 -2.099 1.00 0.94 H new ATOM 0 HE1 MET A 40 16.665 -4.320 -4.224 1.00 1.48 H new ATOM 0 HE2 MET A 40 16.219 -3.479 -2.720 1.00 1.48 H new ATOM 0 HE3 MET A 40 15.956 -5.232 -2.871 1.00 1.48 H new ATOM 360 N THR A 41 12.553 -5.620 1.835 1.00 0.74 N ATOM 361 CA THR A 41 12.678 -6.667 2.843 1.00 0.82 C ATOM 362 C THR A 41 11.395 -6.803 3.663 1.00 0.78 C ATOM 363 O THR A 41 11.312 -7.630 4.571 1.00 0.96 O ATOM 364 CB THR A 41 13.859 -6.389 3.791 1.00 0.94 C ATOM 365 OG1 THR A 41 14.128 -4.982 3.841 1.00 1.32 O ATOM 366 CG2 THR A 41 15.108 -7.134 3.343 1.00 1.14 C ATOM 0 H THR A 41 12.437 -4.682 2.218 1.00 0.74 H new ATOM 0 HA THR A 41 12.860 -7.601 2.311 1.00 0.82 H new ATOM 0 HB THR A 41 13.585 -6.743 4.785 1.00 0.94 H new ATOM 0 HG1 THR A 41 14.971 -4.827 4.316 1.00 1.32 H new ATOM 0 HG21 THR A 41 15.926 -6.919 4.031 1.00 1.14 H new ATOM 0 HG22 THR A 41 14.910 -8.206 3.338 1.00 1.14 H new ATOM 0 HG23 THR A 41 15.384 -6.811 2.339 1.00 1.14 H new ATOM 374 N THR A 42 10.398 -5.985 3.333 1.00 0.71 N ATOM 375 CA THR A 42 9.116 -6.013 4.030 1.00 0.73 C ATOM 376 C THR A 42 7.985 -6.399 3.085 1.00 0.66 C ATOM 377 O THR A 42 8.048 -6.134 1.884 1.00 0.63 O ATOM 378 CB THR A 42 8.788 -4.650 4.674 1.00 0.84 C ATOM 379 OG1 THR A 42 9.535 -3.607 4.035 1.00 0.81 O ATOM 380 CG2 THR A 42 9.096 -4.667 6.163 1.00 1.32 C ATOM 0 H THR A 42 10.454 -5.293 2.585 1.00 0.71 H new ATOM 0 HA THR A 42 9.204 -6.763 4.816 1.00 0.73 H new ATOM 0 HB THR A 42 7.723 -4.460 4.542 1.00 0.84 H new ATOM 0 HG1 THR A 42 9.317 -2.747 4.451 1.00 0.81 H new ATOM 0 HG21 THR A 42 8.857 -3.695 6.595 1.00 1.32 H new ATOM 0 HG22 THR A 42 8.498 -5.438 6.649 1.00 1.32 H new ATOM 0 HG23 THR A 42 10.154 -4.880 6.313 1.00 1.32 H new ATOM 388 N HIS A 43 6.950 -7.031 3.636 1.00 0.70 N ATOM 389 CA HIS A 43 5.800 -7.457 2.845 1.00 0.71 C ATOM 390 C HIS A 43 4.840 -6.295 2.610 1.00 0.67 C ATOM 391 O HIS A 43 5.017 -5.208 3.163 1.00 0.67 O ATOM 392 CB HIS A 43 5.062 -8.604 3.544 1.00 0.82 C ATOM 393 CG HIS A 43 5.888 -9.843 3.711 1.00 0.84 C ATOM 394 ND1 HIS A 43 6.581 -10.156 4.860 1.00 0.93 N ATOM 395 CD2 HIS A 43 6.122 -10.861 2.845 1.00 0.97 C ATOM 396 CE1 HIS A 43 7.202 -11.326 4.661 1.00 0.94 C ATOM 397 NE2 HIS A 43 6.955 -11.797 3.453 1.00 0.94 N ATOM 0 H HIS A 43 6.886 -7.259 4.628 1.00 0.70 H new ATOM 0 HA HIS A 43 6.169 -7.806 1.880 1.00 0.71 H new ATOM 0 HB2 HIS A 43 4.730 -8.265 4.525 1.00 0.82 H new ATOM 0 HB3 HIS A 43 4.167 -8.850 2.972 1.00 0.82 H new ATOM 0 HD2 HIS A 43 5.725 -10.934 1.843 1.00 0.97 H new ATOM 0 HE1 HIS A 43 7.824 -11.820 5.393 1.00 0.94 H new ATOM 0 HE2 HIS A 43 7.302 -12.667 3.048 1.00 0.94 H new ATOM 405 N LEU A 44 3.819 -6.535 1.792 1.00 0.66 N ATOM 406 CA LEU A 44 2.825 -5.511 1.486 1.00 0.64 C ATOM 407 C LEU A 44 1.832 -5.352 2.628 1.00 0.63 C ATOM 408 O LEU A 44 0.972 -4.472 2.592 1.00 0.58 O ATOM 409 CB LEU A 44 2.080 -5.847 0.196 1.00 0.64 C ATOM 410 CG LEU A 44 2.905 -5.719 -1.084 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.035 -5.979 -2.300 1.00 0.72 C ATOM 412 CD2 LEU A 44 3.552 -4.343 -1.170 1.00 0.68 C ATOM 0 H LEU A 44 3.658 -7.430 1.329 1.00 0.66 H new ATOM 0 HA LEU A 44 3.355 -4.568 1.353 1.00 0.64 H new ATOM 0 HB2 LEU A 44 1.705 -6.868 0.267 1.00 0.64 H new ATOM 0 HB3 LEU A 44 1.211 -5.193 0.116 1.00 0.64 H new ATOM 0 HG LEU A 44 3.698 -6.466 -1.061 1.00 0.69 H new ATOM 0 HD11 LEU A 44 2.636 -5.884 -3.204 1.00 0.72 H new ATOM 0 HD12 LEU A 44 1.621 -6.986 -2.243 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.222 -5.254 -2.327 1.00 0.72 H new ATOM 0 HD21 LEU A 44 4.135 -4.272 -2.088 1.00 0.68 H new ATOM 0 HD22 LEU A 44 2.777 -3.576 -1.172 1.00 0.68 H new ATOM 0 HD23 LEU A 44 4.207 -4.195 -0.312 1.00 0.68 H new ATOM 424 N LYS A 45 1.947 -6.212 3.636 1.00 0.68 N ATOM 425 CA LYS A 45 1.071 -6.145 4.792 1.00 0.70 C ATOM 426 C LYS A 45 1.379 -4.896 5.605 1.00 0.69 C ATOM 427 O LYS A 45 0.481 -4.282 6.176 1.00 0.69 O ATOM 428 CB LYS A 45 1.223 -7.392 5.662 1.00 0.78 C ATOM 429 CG LYS A 45 0.157 -7.501 6.737 1.00 0.82 C ATOM 430 CD LYS A 45 0.290 -8.784 7.533 1.00 0.85 C ATOM 431 CE LYS A 45 -0.802 -8.891 8.583 1.00 0.90 C ATOM 432 NZ LYS A 45 -0.749 -10.187 9.309 1.00 0.93 N ATOM 0 H LYS A 45 2.639 -6.961 3.672 1.00 0.68 H new ATOM 0 HA LYS A 45 0.040 -6.098 4.442 1.00 0.70 H new ATOM 0 HB2 LYS A 45 1.183 -8.277 5.028 1.00 0.78 H new ATOM 0 HB3 LYS A 45 2.206 -7.382 6.133 1.00 0.78 H new ATOM 0 HG2 LYS A 45 0.230 -6.647 7.410 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -0.830 -7.460 6.276 1.00 0.82 H new ATOM 0 HD2 LYS A 45 0.237 -9.640 6.860 1.00 0.85 H new ATOM 0 HD3 LYS A 45 1.267 -8.817 8.015 1.00 0.85 H new ATOM 0 HE2 LYS A 45 -0.702 -8.072 9.295 1.00 0.90 H new ATOM 0 HE3 LYS A 45 -1.776 -8.782 8.106 1.00 0.90 H new ATOM 0 HZ1 LYS A 45 -1.511 -10.220 10.016 1.00 0.93 H new ATOM 0 HZ2 LYS A 45 -0.870 -10.968 8.634 1.00 0.93 H new ATOM 0 HZ3 LYS A 45 0.171 -10.281 9.786 1.00 0.93 H new ATOM 446 N LYS A 46 2.658 -4.514 5.638 1.00 0.71 N ATOM 447 CA LYS A 46 3.085 -3.326 6.365 1.00 0.74 C ATOM 448 C LYS A 46 2.617 -2.071 5.638 1.00 0.64 C ATOM 449 O LYS A 46 2.371 -1.039 6.259 1.00 0.64 O ATOM 450 CB LYS A 46 4.605 -3.318 6.542 1.00 0.81 C ATOM 451 CG LYS A 46 5.092 -4.254 7.639 1.00 0.88 C ATOM 452 CD LYS A 46 4.591 -3.818 9.007 1.00 0.99 C ATOM 453 CE LYS A 46 4.960 -4.822 10.087 1.00 1.10 C ATOM 454 NZ LYS A 46 4.279 -4.521 11.377 1.00 1.27 N ATOM 0 H LYS A 46 3.413 -5.013 5.168 1.00 0.71 H new ATOM 0 HA LYS A 46 2.632 -3.341 7.356 1.00 0.74 H new ATOM 0 HB2 LYS A 46 5.074 -3.600 5.600 1.00 0.81 H new ATOM 0 HB3 LYS A 46 4.931 -2.303 6.769 1.00 0.81 H new ATOM 0 HG2 LYS A 46 4.750 -5.268 7.432 1.00 0.88 H new ATOM 0 HG3 LYS A 46 6.182 -4.279 7.640 1.00 0.88 H new ATOM 0 HD2 LYS A 46 5.013 -2.844 9.256 1.00 0.99 H new ATOM 0 HD3 LYS A 46 3.508 -3.698 8.977 1.00 0.99 H new ATOM 0 HE2 LYS A 46 4.689 -5.825 9.758 1.00 1.10 H new ATOM 0 HE3 LYS A 46 6.040 -4.816 10.236 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 4.418 -5.314 12.036 1.00 1.27 H new ATOM 0 HZ2 LYS A 46 4.681 -3.654 11.788 1.00 1.27 H new ATOM 0 HZ3 LYS A 46 3.262 -4.385 11.209 1.00 1.27 H new ATOM 468 N LEU A 47 2.499 -2.177 4.317 1.00 0.58 N ATOM 469 CA LEU A 47 2.017 -1.076 3.492 1.00 0.50 C ATOM 470 C LEU A 47 0.535 -0.855 3.779 1.00 0.45 C ATOM 471 O LEU A 47 0.056 0.279 3.834 1.00 0.42 O ATOM 472 CB LEU A 47 2.236 -1.404 2.007 1.00 0.50 C ATOM 473 CG LEU A 47 1.484 -0.520 1.008 1.00 0.49 C ATOM 474 CD1 LEU A 47 2.393 -0.141 -0.148 1.00 0.51 C ATOM 475 CD2 LEU A 47 0.243 -1.233 0.486 1.00 0.63 C ATOM 0 H LEU A 47 2.733 -3.021 3.793 1.00 0.58 H new ATOM 0 HA LEU A 47 2.568 -0.165 3.727 1.00 0.50 H new ATOM 0 HB2 LEU A 47 3.303 -1.334 1.793 1.00 0.50 H new ATOM 0 HB3 LEU A 47 1.944 -2.440 1.837 1.00 0.50 H new ATOM 0 HG LEU A 47 1.170 0.388 1.523 1.00 0.49 H new ATOM 0 HD11 LEU A 47 1.845 0.487 -0.850 1.00 0.51 H new ATOM 0 HD12 LEU A 47 3.256 0.406 0.232 1.00 0.51 H new ATOM 0 HD13 LEU A 47 2.731 -1.044 -0.656 1.00 0.51 H new ATOM 0 HD21 LEU A 47 -0.277 -0.588 -0.222 1.00 0.63 H new ATOM 0 HD22 LEU A 47 0.537 -2.157 -0.013 1.00 0.63 H new ATOM 0 HD23 LEU A 47 -0.420 -1.466 1.319 1.00 0.63 H new ATOM 487 N LYS A 48 -0.174 -1.967 3.965 1.00 0.46 N ATOM 488 CA LYS A 48 -1.599 -1.953 4.266 1.00 0.44 C ATOM 489 C LYS A 48 -1.844 -1.383 5.663 1.00 0.48 C ATOM 490 O LYS A 48 -2.808 -0.652 5.883 1.00 0.48 O ATOM 491 CB LYS A 48 -2.155 -3.377 4.165 1.00 0.48 C ATOM 492 CG LYS A 48 -3.667 -3.453 4.028 1.00 0.50 C ATOM 493 CD LYS A 48 -4.135 -4.897 3.929 1.00 0.59 C ATOM 494 CE LYS A 48 -5.643 -4.992 3.766 1.00 0.65 C ATOM 495 NZ LYS A 48 -6.111 -6.407 3.779 1.00 0.77 N ATOM 0 H LYS A 48 0.227 -2.903 3.911 1.00 0.46 H new ATOM 0 HA LYS A 48 -2.111 -1.316 3.545 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -1.699 -3.872 3.307 1.00 0.48 H new ATOM 0 HB3 LYS A 48 -1.854 -3.935 5.052 1.00 0.48 H new ATOM 0 HG2 LYS A 48 -4.138 -2.973 4.886 1.00 0.50 H new ATOM 0 HG3 LYS A 48 -3.983 -2.903 3.142 1.00 0.50 H new ATOM 0 HD2 LYS A 48 -3.647 -5.380 3.083 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -3.831 -5.440 4.824 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -6.131 -4.440 4.569 1.00 0.65 H new ATOM 0 HE3 LYS A 48 -5.938 -4.520 2.829 1.00 0.65 H new ATOM 0 HZ1 LYS A 48 -7.144 -6.432 3.665 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.664 -6.928 2.997 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.851 -6.850 4.683 1.00 0.77 H new ATOM 509 N GLU A 49 -0.952 -1.722 6.598 1.00 0.55 N ATOM 510 CA GLU A 49 -1.053 -1.253 7.979 1.00 0.61 C ATOM 511 C GLU A 49 -0.787 0.247 8.073 1.00 0.61 C ATOM 512 O GLU A 49 -1.464 0.958 8.814 1.00 0.63 O ATOM 513 CB GLU A 49 -0.055 -2.001 8.873 1.00 0.71 C ATOM 514 CG GLU A 49 -0.368 -3.478 9.054 1.00 0.76 C ATOM 515 CD GLU A 49 0.754 -4.232 9.741 1.00 0.85 C ATOM 516 OE1 GLU A 49 0.908 -4.083 10.971 1.00 0.95 O ATOM 517 OE2 GLU A 49 1.481 -4.976 9.049 1.00 0.89 O ATOM 0 H GLU A 49 -0.148 -2.323 6.420 1.00 0.55 H new ATOM 0 HA GLU A 49 -2.069 -1.451 8.321 1.00 0.61 H new ATOM 0 HB2 GLU A 49 0.943 -1.902 8.446 1.00 0.71 H new ATOM 0 HB3 GLU A 49 -0.032 -1.523 9.852 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -1.282 -3.583 9.638 1.00 0.76 H new ATOM 0 HG3 GLU A 49 -0.559 -3.927 8.079 1.00 0.76 H new ATOM 524 N SER A 50 0.200 0.716 7.311 1.00 0.60 N ATOM 525 CA SER A 50 0.576 2.127 7.305 1.00 0.62 C ATOM 526 C SER A 50 -0.530 3.011 6.729 1.00 0.54 C ATOM 527 O SER A 50 -0.762 4.115 7.217 1.00 0.56 O ATOM 528 CB SER A 50 1.867 2.321 6.507 1.00 0.67 C ATOM 529 OG SER A 50 2.966 1.711 7.161 1.00 1.22 O ATOM 0 H SER A 50 0.757 0.133 6.686 1.00 0.60 H new ATOM 0 HA SER A 50 0.735 2.429 8.340 1.00 0.62 H new ATOM 0 HB2 SER A 50 1.750 1.895 5.511 1.00 0.67 H new ATOM 0 HB3 SER A 50 2.062 3.386 6.377 1.00 0.67 H new ATOM 0 HG SER A 50 2.966 0.749 6.972 1.00 1.22 H new ATOM 535 N TYR A 51 -1.205 2.526 5.691 1.00 0.47 N ATOM 536 CA TYR A 51 -2.286 3.281 5.060 1.00 0.41 C ATOM 537 C TYR A 51 -3.516 3.349 5.965 1.00 0.43 C ATOM 538 O TYR A 51 -4.198 4.369 6.015 1.00 0.44 O ATOM 539 CB TYR A 51 -2.662 2.658 3.713 1.00 0.38 C ATOM 540 CG TYR A 51 -3.615 3.503 2.892 1.00 0.38 C ATOM 541 CD1 TYR A 51 -3.296 4.810 2.541 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.831 2.990 2.462 1.00 0.45 C ATOM 543 CE1 TYR A 51 -4.164 5.580 1.789 1.00 0.46 C ATOM 544 CE2 TYR A 51 -5.704 3.754 1.711 1.00 0.50 C ATOM 545 CZ TYR A 51 -5.365 5.047 1.377 1.00 0.47 C ATOM 546 OH TYR A 51 -6.231 5.810 0.628 1.00 0.55 O ATOM 0 H TYR A 51 -1.024 1.615 5.269 1.00 0.47 H new ATOM 0 HA TYR A 51 -1.927 4.297 4.894 1.00 0.41 H new ATOM 0 HB2 TYR A 51 -1.753 2.488 3.136 1.00 0.38 H new ATOM 0 HB3 TYR A 51 -3.116 1.683 3.889 1.00 0.38 H new ATOM 0 HD1 TYR A 51 -2.354 5.231 2.861 1.00 0.42 H new ATOM 0 HD2 TYR A 51 -5.100 1.976 2.719 1.00 0.45 H new ATOM 0 HE1 TYR A 51 -3.901 6.594 1.526 1.00 0.46 H new ATOM 0 HE2 TYR A 51 -6.647 3.340 1.387 1.00 0.50 H new ATOM 0 HH TYR A 51 -7.032 5.285 0.419 1.00 0.55 H new ATOM 556 N CYS A 52 -3.787 2.259 6.680 1.00 0.45 N ATOM 557 CA CYS A 52 -4.944 2.185 7.570 1.00 0.49 C ATOM 558 C CYS A 52 -4.807 3.112 8.780 1.00 0.56 C ATOM 559 O CYS A 52 -5.782 3.739 9.194 1.00 0.60 O ATOM 560 CB CYS A 52 -5.156 0.744 8.037 1.00 0.53 C ATOM 561 SG CYS A 52 -5.821 -0.349 6.760 1.00 0.50 S ATOM 0 H CYS A 52 -3.219 1.412 6.660 1.00 0.45 H new ATOM 0 HA CYS A 52 -5.812 2.519 7.001 1.00 0.49 H new ATOM 0 HB2 CYS A 52 -4.205 0.342 8.386 1.00 0.53 H new ATOM 0 HB3 CYS A 52 -5.834 0.745 8.890 1.00 0.53 H new ATOM 0 HG CYS A 52 -4.850 -0.783 6.012 1.00 0.50 H new ATOM 567 N GLN A 53 -3.607 3.195 9.352 1.00 0.58 N ATOM 568 CA GLN A 53 -3.375 4.050 10.517 1.00 0.67 C ATOM 569 C GLN A 53 -3.252 5.525 10.127 1.00 0.67 C ATOM 570 O GLN A 53 -3.582 6.410 10.915 1.00 0.74 O ATOM 571 CB GLN A 53 -2.133 3.591 11.297 1.00 0.72 C ATOM 572 CG GLN A 53 -0.844 3.587 10.485 1.00 0.73 C ATOM 573 CD GLN A 53 -0.029 4.856 10.658 1.00 0.77 C ATOM 574 OE1 GLN A 53 -0.058 5.492 11.713 1.00 0.81 O ATOM 575 NE2 GLN A 53 0.703 5.234 9.618 1.00 0.82 N ATOM 0 H GLN A 53 -2.784 2.684 9.031 1.00 0.58 H new ATOM 0 HA GLN A 53 -4.246 3.954 11.165 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -2.001 4.242 12.161 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -2.310 2.586 11.679 1.00 0.72 H new ATOM 0 HG2 GLN A 53 -0.238 2.730 10.780 1.00 0.73 H new ATOM 0 HG3 GLN A 53 -1.086 3.459 9.430 1.00 0.73 H new ATOM 0 HE21 GLN A 53 0.699 4.679 8.763 1.00 0.82 H new ATOM 0 HE22 GLN A 53 1.270 6.080 9.674 1.00 0.82 H new ATOM 584 N ARG A 54 -2.775 5.782 8.910 1.00 0.62 N ATOM 585 CA ARG A 54 -2.603 7.151 8.426 1.00 0.64 C ATOM 586 C ARG A 54 -3.884 7.674 7.766 1.00 0.64 C ATOM 587 O ARG A 54 -3.924 8.798 7.266 1.00 0.75 O ATOM 588 CB ARG A 54 -1.430 7.206 7.434 1.00 0.61 C ATOM 589 CG ARG A 54 -0.950 8.614 7.097 1.00 0.70 C ATOM 590 CD ARG A 54 -0.434 9.350 8.325 1.00 0.87 C ATOM 591 NE ARG A 54 0.731 8.692 8.915 1.00 0.98 N ATOM 592 CZ ARG A 54 1.007 8.700 10.220 1.00 1.21 C ATOM 593 NH1 ARG A 54 0.206 9.331 11.070 1.00 1.36 N ATOM 594 NH2 ARG A 54 2.089 8.080 10.673 1.00 1.36 N ATOM 0 H ARG A 54 -2.501 5.061 8.242 1.00 0.62 H new ATOM 0 HA ARG A 54 -2.385 7.792 9.280 1.00 0.64 H new ATOM 0 HB2 ARG A 54 -0.595 6.641 7.847 1.00 0.61 H new ATOM 0 HB3 ARG A 54 -1.727 6.707 6.512 1.00 0.61 H new ATOM 0 HG2 ARG A 54 -0.159 8.558 6.349 1.00 0.70 H new ATOM 0 HG3 ARG A 54 -1.769 9.180 6.653 1.00 0.70 H new ATOM 0 HD2 ARG A 54 -0.172 10.372 8.050 1.00 0.87 H new ATOM 0 HD3 ARG A 54 -1.228 9.414 9.069 1.00 0.87 H new ATOM 0 HE ARG A 54 1.370 8.198 8.292 1.00 0.98 H new ATOM 0 HH11 ARG A 54 -0.625 9.813 10.726 1.00 1.36 H new ATOM 0 HH12 ARG A 54 0.421 9.334 12.067 1.00 1.36 H new ATOM 0 HH21 ARG A 54 2.710 7.597 10.023 1.00 1.36 H new ATOM 0 HH22 ARG A 54 2.300 8.086 11.671 1.00 1.36 H new ATOM 608 N GLN A 55 -4.939 6.863 7.781 1.00 0.59 N ATOM 609 CA GLN A 55 -6.202 7.259 7.170 1.00 0.62 C ATOM 610 C GLN A 55 -7.387 7.029 8.109 1.00 0.68 C ATOM 611 O GLN A 55 -8.487 7.518 7.846 1.00 0.71 O ATOM 612 CB GLN A 55 -6.415 6.481 5.867 1.00 0.57 C ATOM 613 CG GLN A 55 -7.360 7.156 4.880 1.00 0.63 C ATOM 614 CD GLN A 55 -6.798 8.450 4.322 1.00 0.64 C ATOM 615 OE1 GLN A 55 -6.080 8.448 3.323 1.00 0.60 O ATOM 616 NE2 GLN A 55 -7.131 9.564 4.961 1.00 0.76 N ATOM 0 H GLN A 55 -4.944 5.936 8.206 1.00 0.59 H new ATOM 0 HA GLN A 55 -6.147 8.327 6.960 1.00 0.62 H new ATOM 0 HB2 GLN A 55 -5.449 6.333 5.384 1.00 0.57 H new ATOM 0 HB3 GLN A 55 -6.806 5.492 6.108 1.00 0.57 H new ATOM 0 HG2 GLN A 55 -7.570 6.472 4.058 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -8.310 7.361 5.374 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -7.729 9.519 5.786 1.00 0.76 H new ATOM 0 HE22 GLN A 55 -6.789 10.465 4.627 1.00 0.76 H new ATOM 625 N GLY A 56 -7.167 6.307 9.212 1.00 0.71 N ATOM 626 CA GLY A 56 -8.263 6.028 10.126 1.00 0.78 C ATOM 627 C GLY A 56 -9.348 5.145 9.541 1.00 0.77 C ATOM 628 O GLY A 56 -10.513 5.529 9.510 1.00 0.82 O ATOM 0 H GLY A 56 -6.264 5.917 9.483 1.00 0.71 H new ATOM 0 HA2 GLY A 56 -7.863 5.550 11.020 1.00 0.78 H new ATOM 0 HA3 GLY A 56 -8.708 6.972 10.441 1.00 0.78 H new ATOM 632 N VAL A 57 -8.971 3.955 9.090 1.00 0.73 N ATOM 633 CA VAL A 57 -9.917 3.023 8.483 1.00 0.74 C ATOM 634 C VAL A 57 -9.494 1.580 8.745 1.00 0.73 C ATOM 635 O VAL A 57 -8.389 1.187 8.388 1.00 0.68 O ATOM 636 CB VAL A 57 -9.978 3.235 6.959 1.00 0.68 C ATOM 637 CG1 VAL A 57 -10.866 2.191 6.321 1.00 0.71 C ATOM 638 CG2 VAL A 57 -10.486 4.629 6.647 1.00 0.71 C ATOM 0 H VAL A 57 -8.012 3.610 9.133 1.00 0.73 H new ATOM 0 HA VAL A 57 -10.895 3.210 8.927 1.00 0.74 H new ATOM 0 HB VAL A 57 -8.974 3.131 6.547 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -10.901 2.352 5.244 1.00 0.71 H new ATOM 0 HG12 VAL A 57 -10.466 1.198 6.527 1.00 0.71 H new ATOM 0 HG13 VAL A 57 -11.873 2.269 6.732 1.00 0.71 H new ATOM 0 HG21 VAL A 57 -10.525 4.769 5.567 1.00 0.71 H new ATOM 0 HG22 VAL A 57 -11.485 4.755 7.066 1.00 0.71 H new ATOM 0 HG23 VAL A 57 -9.814 5.367 7.084 1.00 0.71 H new ATOM 648 N PRO A 58 -10.377 0.768 9.350 1.00 0.80 N ATOM 649 CA PRO A 58 -10.062 -0.635 9.645 1.00 0.82 C ATOM 650 C PRO A 58 -9.451 -1.424 8.484 1.00 0.76 C ATOM 651 O PRO A 58 -9.882 -1.306 7.339 1.00 0.73 O ATOM 652 CB PRO A 58 -11.406 -1.203 10.106 1.00 0.91 C ATOM 653 CG PRO A 58 -12.405 -0.321 9.433 1.00 0.90 C ATOM 654 CD PRO A 58 -11.797 1.040 9.616 1.00 0.87 C ATOM 0 HA PRO A 58 -9.273 -0.714 10.393 1.00 0.82 H new ATOM 0 HB2 PRO A 58 -11.525 -2.245 9.808 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -11.506 -1.168 11.191 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -12.528 -0.574 8.380 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -13.389 -0.393 9.895 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -12.211 1.771 8.921 1.00 0.87 H new ATOM 0 HD3 PRO A 58 -11.958 1.429 10.621 1.00 0.87 H new ATOM 662 N MET A 59 -8.443 -2.231 8.811 1.00 0.76 N ATOM 663 CA MET A 59 -7.719 -3.056 7.844 1.00 0.72 C ATOM 664 C MET A 59 -8.614 -3.693 6.776 1.00 0.73 C ATOM 665 O MET A 59 -8.202 -3.868 5.623 1.00 0.69 O ATOM 666 CB MET A 59 -6.963 -4.161 8.591 1.00 0.77 C ATOM 667 CG MET A 59 -5.930 -4.920 7.764 1.00 0.74 C ATOM 668 SD MET A 59 -4.461 -3.931 7.424 1.00 0.66 S ATOM 669 CE MET A 59 -4.028 -3.405 9.104 1.00 0.73 C ATOM 0 H MET A 59 -8.102 -2.332 9.767 1.00 0.76 H new ATOM 0 HA MET A 59 -7.036 -2.389 7.318 1.00 0.72 H new ATOM 0 HB2 MET A 59 -6.461 -3.717 9.450 1.00 0.77 H new ATOM 0 HB3 MET A 59 -7.689 -4.875 8.980 1.00 0.77 H new ATOM 0 HG2 MET A 59 -5.639 -5.827 8.294 1.00 0.74 H new ATOM 0 HG3 MET A 59 -6.381 -5.232 6.822 1.00 0.74 H new ATOM 0 HE1 MET A 59 -2.987 -3.081 9.127 1.00 0.73 H new ATOM 0 HE2 MET A 59 -4.672 -2.578 9.404 1.00 0.73 H new ATOM 0 HE3 MET A 59 -4.164 -4.239 9.793 1.00 0.73 H new ATOM 679 N ASN A 60 -9.835 -4.044 7.168 1.00 0.80 N ATOM 680 CA ASN A 60 -10.787 -4.682 6.266 1.00 0.84 C ATOM 681 C ASN A 60 -11.504 -3.689 5.363 1.00 0.82 C ATOM 682 O ASN A 60 -11.467 -3.808 4.141 1.00 0.80 O ATOM 683 CB ASN A 60 -11.830 -5.465 7.068 1.00 0.93 C ATOM 684 CG ASN A 60 -12.645 -4.574 7.994 1.00 0.96 C ATOM 685 OD1 ASN A 60 -12.114 -3.990 8.940 1.00 0.95 O ATOM 686 ND2 ASN A 60 -13.942 -4.464 7.719 1.00 1.01 N ATOM 0 H ASN A 60 -10.190 -3.896 8.113 1.00 0.80 H new ATOM 0 HA ASN A 60 -10.208 -5.352 5.630 1.00 0.84 H new ATOM 0 HB2 ASN A 60 -12.502 -5.979 6.380 1.00 0.93 H new ATOM 0 HB3 ASN A 60 -11.329 -6.233 7.657 1.00 0.93 H new ATOM 0 HD21 ASN A 60 -14.539 -3.878 8.302 1.00 1.01 H new ATOM 0 HD22 ASN A 60 -14.339 -4.966 6.925 1.00 1.01 H new ATOM 693 N SER A 61 -12.162 -2.717 5.986 1.00 0.84 N ATOM 694 CA SER A 61 -12.924 -1.689 5.293 1.00 0.84 C ATOM 695 C SER A 61 -12.547 -1.476 3.827 1.00 0.80 C ATOM 696 O SER A 61 -13.424 -1.322 2.984 1.00 0.85 O ATOM 697 CB SER A 61 -12.812 -0.364 6.056 1.00 0.83 C ATOM 698 OG SER A 61 -13.667 0.637 5.518 1.00 0.85 O ATOM 0 H SER A 61 -12.180 -2.621 7.001 1.00 0.84 H new ATOM 0 HA SER A 61 -13.952 -2.051 5.275 1.00 0.84 H new ATOM 0 HB2 SER A 61 -13.061 -0.528 7.104 1.00 0.83 H new ATOM 0 HB3 SER A 61 -11.780 -0.014 6.024 1.00 0.83 H new ATOM 0 HG SER A 61 -13.816 1.336 6.189 1.00 0.85 H new ATOM 704 N LEU A 62 -11.256 -1.476 3.515 1.00 0.73 N ATOM 705 CA LEU A 62 -10.831 -1.252 2.138 1.00 0.70 C ATOM 706 C LEU A 62 -10.490 -2.528 1.366 1.00 0.72 C ATOM 707 O LEU A 62 -10.903 -3.625 1.733 1.00 0.77 O ATOM 708 CB LEU A 62 -9.615 -0.327 2.116 1.00 0.62 C ATOM 709 CG LEU A 62 -9.633 0.875 3.059 1.00 0.61 C ATOM 710 CD1 LEU A 62 -8.361 1.673 2.850 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.861 1.736 2.805 1.00 0.67 C ATOM 0 H LEU A 62 -10.499 -1.625 4.182 1.00 0.73 H new ATOM 0 HA LEU A 62 -11.688 -0.802 1.637 1.00 0.70 H new ATOM 0 HB2 LEU A 62 -8.733 -0.924 2.347 1.00 0.62 H new ATOM 0 HB3 LEU A 62 -9.492 0.044 1.099 1.00 0.62 H new ATOM 0 HG LEU A 62 -9.682 0.532 4.093 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -8.359 2.535 3.517 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -7.497 1.044 3.067 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -8.311 2.014 1.816 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -10.856 2.587 3.486 1.00 0.67 H new ATOM 0 HD22 LEU A 62 -10.847 2.095 1.776 1.00 0.67 H new ATOM 0 HD23 LEU A 62 -11.761 1.144 2.971 1.00 0.67 H new ATOM 723 N ARG A 63 -9.736 -2.348 0.285 1.00 0.69 N ATOM 724 CA ARG A 63 -9.280 -3.430 -0.586 1.00 0.72 C ATOM 725 C ARG A 63 -8.281 -2.805 -1.557 1.00 0.69 C ATOM 726 O ARG A 63 -8.552 -1.741 -2.118 1.00 0.70 O ATOM 727 CB ARG A 63 -10.448 -4.036 -1.369 1.00 0.82 C ATOM 728 CG ARG A 63 -10.018 -5.051 -2.417 1.00 0.86 C ATOM 729 CD ARG A 63 -11.149 -5.398 -3.383 1.00 0.95 C ATOM 730 NE ARG A 63 -12.137 -6.313 -2.815 1.00 1.01 N ATOM 731 CZ ARG A 63 -13.204 -6.758 -3.478 1.00 1.10 C ATOM 732 NH1 ARG A 63 -13.421 -6.365 -4.727 1.00 1.14 N ATOM 733 NH2 ARG A 63 -14.048 -7.603 -2.898 1.00 1.14 N ATOM 0 H ARG A 63 -9.418 -1.427 -0.017 1.00 0.69 H new ATOM 0 HA ARG A 63 -8.833 -4.232 0.001 1.00 0.72 H new ATOM 0 HB2 ARG A 63 -11.133 -4.516 -0.670 1.00 0.82 H new ATOM 0 HB3 ARG A 63 -11.002 -3.234 -1.858 1.00 0.82 H new ATOM 0 HG2 ARG A 63 -9.172 -4.655 -2.978 1.00 0.86 H new ATOM 0 HG3 ARG A 63 -9.674 -5.959 -1.921 1.00 0.86 H new ATOM 0 HD2 ARG A 63 -11.649 -4.480 -3.690 1.00 0.95 H new ATOM 0 HD3 ARG A 63 -10.725 -5.845 -4.282 1.00 0.95 H new ATOM 0 HE ARG A 63 -12.002 -6.630 -1.855 1.00 1.01 H new ATOM 0 HH11 ARG A 63 -12.771 -5.722 -5.180 1.00 1.14 H new ATOM 0 HH12 ARG A 63 -14.238 -6.706 -5.234 1.00 1.14 H new ATOM 0 HH21 ARG A 63 -13.881 -7.914 -1.941 1.00 1.14 H new ATOM 0 HH22 ARG A 63 -14.863 -7.941 -3.409 1.00 1.14 H new ATOM 747 N PHE A 64 -7.135 -3.452 -1.750 1.00 0.66 N ATOM 748 CA PHE A 64 -6.102 -2.922 -2.640 1.00 0.64 C ATOM 749 C PHE A 64 -5.912 -3.801 -3.868 1.00 0.72 C ATOM 750 O PHE A 64 -5.970 -5.024 -3.774 1.00 0.75 O ATOM 751 CB PHE A 64 -4.778 -2.794 -1.880 1.00 0.56 C ATOM 752 CG PHE A 64 -4.894 -2.044 -0.584 1.00 0.50 C ATOM 753 CD1 PHE A 64 -5.627 -2.566 0.478 1.00 0.51 C ATOM 754 CD2 PHE A 64 -4.291 -0.803 -0.428 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.764 -1.864 1.676 1.00 0.48 C ATOM 756 CE2 PHE A 64 -4.420 -0.092 0.763 1.00 0.40 C ATOM 757 CZ PHE A 64 -5.161 -0.626 1.817 1.00 0.42 C ATOM 0 H PHE A 64 -6.897 -4.339 -1.306 1.00 0.66 H new ATOM 0 HA PHE A 64 -6.427 -1.939 -2.982 1.00 0.64 H new ATOM 0 HB2 PHE A 64 -4.388 -3.791 -1.678 1.00 0.56 H new ATOM 0 HB3 PHE A 64 -4.051 -2.290 -2.517 1.00 0.56 H new ATOM 0 HD1 PHE A 64 -6.098 -3.532 0.373 1.00 0.51 H new ATOM 0 HD2 PHE A 64 -3.715 -0.384 -1.240 1.00 0.44 H new ATOM 0 HE1 PHE A 64 -6.337 -2.284 2.489 1.00 0.48 H new ATOM 0 HE2 PHE A 64 -3.946 0.873 0.870 1.00 0.40 H new ATOM 0 HZ PHE A 64 -5.264 -0.075 2.740 1.00 0.42 H new ATOM 767 N LEU A 65 -5.671 -3.174 -5.016 1.00 0.75 N ATOM 768 CA LEU A 65 -5.494 -3.915 -6.260 1.00 0.83 C ATOM 769 C LEU A 65 -4.245 -3.520 -7.047 1.00 0.84 C ATOM 770 O LEU A 65 -3.681 -2.441 -6.853 1.00 0.80 O ATOM 771 CB LEU A 65 -6.712 -3.716 -7.164 1.00 0.92 C ATOM 772 CG LEU A 65 -8.105 -3.867 -6.552 1.00 0.93 C ATOM 773 CD1 LEU A 65 -9.142 -3.598 -7.630 1.00 1.03 C ATOM 774 CD2 LEU A 65 -8.284 -5.260 -5.966 1.00 0.94 C ATOM 0 H LEU A 65 -5.594 -2.161 -5.110 1.00 0.75 H new ATOM 0 HA LEU A 65 -5.377 -4.958 -5.966 1.00 0.83 H new ATOM 0 HB2 LEU A 65 -6.646 -2.717 -7.595 1.00 0.92 H new ATOM 0 HB3 LEU A 65 -6.633 -4.425 -7.988 1.00 0.92 H new ATOM 0 HG LEU A 65 -8.230 -3.150 -5.740 1.00 0.93 H new ATOM 0 HD11 LEU A 65 -10.141 -3.702 -7.208 1.00 1.03 H new ATOM 0 HD12 LEU A 65 -9.014 -2.586 -8.014 1.00 1.03 H new ATOM 0 HD13 LEU A 65 -9.015 -4.313 -8.443 1.00 1.03 H new ATOM 0 HD21 LEU A 65 -9.281 -5.348 -5.535 1.00 0.94 H new ATOM 0 HD22 LEU A 65 -8.162 -6.004 -6.753 1.00 0.94 H new ATOM 0 HD23 LEU A 65 -7.537 -5.427 -5.190 1.00 0.94 H new ATOM 786 N PHE A 66 -3.832 -4.414 -7.942 1.00 0.91 N ATOM 787 CA PHE A 66 -2.676 -4.194 -8.804 1.00 0.94 C ATOM 788 C PHE A 66 -2.896 -4.971 -10.102 1.00 1.04 C ATOM 789 O PHE A 66 -3.453 -6.071 -10.086 1.00 1.07 O ATOM 790 CB PHE A 66 -1.394 -4.666 -8.119 1.00 0.89 C ATOM 791 CG PHE A 66 -0.166 -4.479 -8.957 1.00 0.93 C ATOM 792 CD1 PHE A 66 0.165 -3.226 -9.454 1.00 0.94 C ATOM 793 CD2 PHE A 66 0.653 -5.559 -9.269 1.00 0.97 C ATOM 794 CE1 PHE A 66 1.292 -3.049 -10.257 1.00 0.99 C ATOM 795 CE2 PHE A 66 1.782 -5.396 -10.070 1.00 1.02 C ATOM 796 CZ PHE A 66 2.101 -4.137 -10.565 1.00 1.03 C ATOM 0 H PHE A 66 -4.291 -5.313 -8.089 1.00 0.91 H new ATOM 0 HA PHE A 66 -2.569 -3.130 -9.013 1.00 0.94 H new ATOM 0 HB2 PHE A 66 -1.271 -4.123 -7.182 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -1.494 -5.721 -7.865 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -0.458 -2.377 -9.216 1.00 0.94 H new ATOM 0 HD2 PHE A 66 0.410 -6.539 -8.885 1.00 0.97 H new ATOM 0 HE1 PHE A 66 1.536 -2.069 -10.639 1.00 0.99 H new ATOM 0 HE2 PHE A 66 2.407 -6.245 -10.305 1.00 1.02 H new ATOM 0 HZ PHE A 66 2.974 -4.004 -11.187 1.00 1.03 H new ATOM 806 N GLU A 67 -2.461 -4.399 -11.223 1.00 1.10 N ATOM 807 CA GLU A 67 -2.642 -5.039 -12.523 1.00 1.20 C ATOM 808 C GLU A 67 -4.096 -5.484 -12.646 1.00 1.24 C ATOM 809 O GLU A 67 -4.406 -6.473 -13.314 1.00 1.30 O ATOM 810 CB GLU A 67 -1.722 -6.255 -12.670 1.00 1.22 C ATOM 811 CG GLU A 67 -0.245 -5.935 -12.867 1.00 1.21 C ATOM 812 CD GLU A 67 0.611 -7.188 -13.045 1.00 1.25 C ATOM 813 OE1 GLU A 67 0.648 -8.027 -12.116 1.00 1.21 O ATOM 814 OE2 GLU A 67 1.247 -7.337 -14.113 1.00 1.32 O ATOM 0 H GLU A 67 -1.983 -3.498 -11.257 1.00 1.10 H new ATOM 0 HA GLU A 67 -2.390 -4.327 -13.309 1.00 1.20 H new ATOM 0 HB2 GLU A 67 -1.826 -6.878 -11.782 1.00 1.22 H new ATOM 0 HB3 GLU A 67 -2.064 -6.848 -13.518 1.00 1.22 H new ATOM 0 HG2 GLU A 67 -0.130 -5.294 -13.741 1.00 1.21 H new ATOM 0 HG3 GLU A 67 0.118 -5.371 -12.008 1.00 1.21 H new ATOM 821 N GLY A 68 -4.986 -4.749 -11.991 1.00 1.20 N ATOM 822 CA GLY A 68 -6.391 -5.091 -12.034 1.00 1.24 C ATOM 823 C GLY A 68 -6.754 -6.116 -10.979 1.00 1.20 C ATOM 824 O GLY A 68 -7.759 -5.963 -10.285 1.00 1.18 O ATOM 0 H GLY A 68 -4.759 -3.926 -11.433 1.00 1.20 H new ATOM 0 HA2 GLY A 68 -6.989 -4.191 -11.887 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -6.640 -5.481 -13.021 1.00 1.24 H new ATOM 828 N GLN A 69 -5.938 -7.159 -10.844 1.00 1.20 N ATOM 829 CA GLN A 69 -6.214 -8.205 -9.864 1.00 1.17 C ATOM 830 C GLN A 69 -5.865 -7.833 -8.425 1.00 1.07 C ATOM 831 O GLN A 69 -4.934 -7.066 -8.169 1.00 1.01 O ATOM 832 CB GLN A 69 -5.508 -9.507 -10.258 1.00 1.22 C ATOM 833 CG GLN A 69 -6.094 -10.154 -11.509 1.00 1.32 C ATOM 834 CD GLN A 69 -5.679 -11.604 -11.682 1.00 1.37 C ATOM 835 OE1 GLN A 69 -4.492 -11.917 -11.769 1.00 1.36 O ATOM 836 NE2 GLN A 69 -6.663 -12.497 -11.737 1.00 1.43 N ATOM 0 H GLN A 69 -5.091 -7.301 -11.394 1.00 1.20 H new ATOM 0 HA GLN A 69 -7.295 -8.341 -9.881 1.00 1.17 H new ATOM 0 HB2 GLN A 69 -4.450 -9.303 -10.424 1.00 1.22 H new ATOM 0 HB3 GLN A 69 -5.571 -10.212 -9.429 1.00 1.22 H new ATOM 0 HG2 GLN A 69 -7.182 -10.097 -11.464 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -5.781 -9.586 -12.385 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -7.633 -12.192 -11.660 1.00 1.43 H new ATOM 0 HE22 GLN A 69 -6.447 -13.487 -11.856 1.00 1.43 H new ATOM 845 N ARG A 70 -6.632 -8.394 -7.496 1.00 1.06 N ATOM 846 CA ARG A 70 -6.471 -8.147 -6.069 1.00 0.98 C ATOM 847 C ARG A 70 -5.051 -8.371 -5.563 1.00 0.93 C ATOM 848 O ARG A 70 -4.209 -8.929 -6.265 1.00 0.97 O ATOM 849 CB ARG A 70 -7.447 -9.027 -5.291 1.00 1.01 C ATOM 850 CG ARG A 70 -7.584 -8.672 -3.834 1.00 0.94 C ATOM 851 CD ARG A 70 -8.873 -9.229 -3.281 1.00 0.99 C ATOM 852 NE ARG A 70 -9.190 -8.660 -1.974 1.00 0.94 N ATOM 853 CZ ARG A 70 -10.373 -8.768 -1.379 1.00 0.98 C ATOM 854 NH1 ARG A 70 -11.358 -9.427 -1.977 1.00 1.06 N ATOM 855 NH2 ARG A 70 -10.575 -8.212 -0.191 1.00 0.94 N ATOM 0 H ARG A 70 -7.391 -9.040 -7.716 1.00 1.06 H new ATOM 0 HA ARG A 70 -6.686 -7.091 -5.906 1.00 0.98 H new ATOM 0 HB2 ARG A 70 -8.428 -8.963 -5.761 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -7.123 -10.065 -5.370 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -6.738 -9.070 -3.274 1.00 0.94 H new ATOM 0 HG3 ARG A 70 -7.566 -7.589 -3.713 1.00 0.94 H new ATOM 0 HD2 ARG A 70 -9.687 -9.021 -3.976 1.00 0.99 H new ATOM 0 HD3 ARG A 70 -8.795 -10.313 -3.197 1.00 0.99 H new ATOM 0 HE ARG A 70 -8.456 -8.147 -1.486 1.00 0.94 H new ATOM 0 HH11 ARG A 70 -11.206 -9.850 -2.893 1.00 1.06 H new ATOM 0 HH12 ARG A 70 -12.266 -9.510 -1.521 1.00 1.06 H new ATOM 0 HH21 ARG A 70 -9.821 -7.700 0.267 1.00 0.94 H new ATOM 0 HH22 ARG A 70 -11.484 -8.296 0.264 1.00 0.94 H new ATOM 869 N ILE A 71 -4.793 -7.924 -4.337 1.00 0.85 N ATOM 870 CA ILE A 71 -3.477 -8.064 -3.726 1.00 0.81 C ATOM 871 C ILE A 71 -3.502 -8.928 -2.468 1.00 0.81 C ATOM 872 O ILE A 71 -4.262 -8.669 -1.531 1.00 0.79 O ATOM 873 CB ILE A 71 -2.873 -6.688 -3.365 1.00 0.73 C ATOM 874 CG1 ILE A 71 -2.476 -5.949 -4.645 1.00 0.75 C ATOM 875 CG2 ILE A 71 -1.670 -6.866 -2.452 1.00 0.69 C ATOM 876 CD1 ILE A 71 -1.863 -4.583 -4.404 1.00 0.68 C ATOM 0 H ILE A 71 -5.482 -7.460 -3.746 1.00 0.85 H new ATOM 0 HA ILE A 71 -2.857 -8.557 -4.475 1.00 0.81 H new ATOM 0 HB ILE A 71 -3.618 -6.095 -2.834 1.00 0.73 H new ATOM 0 HG12 ILE A 71 -1.766 -6.562 -5.201 1.00 0.75 H new ATOM 0 HG13 ILE A 71 -3.358 -5.834 -5.274 1.00 0.75 H new ATOM 0 HG21 ILE A 71 -1.253 -5.890 -2.205 1.00 0.69 H new ATOM 0 HG22 ILE A 71 -1.979 -7.371 -1.537 1.00 0.69 H new ATOM 0 HG23 ILE A 71 -0.914 -7.465 -2.959 1.00 0.69 H new ATOM 0 HD11 ILE A 71 -1.609 -4.124 -5.360 1.00 0.68 H new ATOM 0 HD12 ILE A 71 -2.578 -3.951 -3.877 1.00 0.68 H new ATOM 0 HD13 ILE A 71 -0.961 -4.690 -3.802 1.00 0.68 H new ATOM 888 N ALA A 72 -2.650 -9.953 -2.467 1.00 0.85 N ATOM 889 CA ALA A 72 -2.536 -10.879 -1.346 1.00 0.88 C ATOM 890 C ALA A 72 -1.992 -10.145 -0.135 1.00 0.82 C ATOM 891 O ALA A 72 -1.261 -9.164 -0.267 1.00 0.77 O ATOM 892 CB ALA A 72 -1.614 -12.045 -1.709 1.00 0.95 C ATOM 0 H ALA A 72 -2.022 -10.163 -3.243 1.00 0.85 H new ATOM 0 HA ALA A 72 -3.523 -11.278 -1.114 1.00 0.88 H new ATOM 0 HB1 ALA A 72 -1.539 -12.727 -0.862 1.00 0.95 H new ATOM 0 HB2 ALA A 72 -2.021 -12.577 -2.569 1.00 0.95 H new ATOM 0 HB3 ALA A 72 -0.623 -11.663 -1.955 1.00 0.95 H new ATOM 898 N ASP A 73 -2.350 -10.630 1.046 1.00 0.85 N ATOM 899 CA ASP A 73 -1.909 -10.022 2.287 1.00 0.81 C ATOM 900 C ASP A 73 -0.430 -10.316 2.561 1.00 0.84 C ATOM 901 O ASP A 73 0.232 -9.587 3.302 1.00 0.81 O ATOM 902 CB ASP A 73 -2.771 -10.540 3.432 1.00 0.86 C ATOM 903 CG ASP A 73 -2.796 -9.598 4.607 1.00 0.83 C ATOM 904 OD1 ASP A 73 -3.190 -8.427 4.416 1.00 0.76 O ATOM 905 OD2 ASP A 73 -2.424 -10.029 5.719 1.00 0.88 O ATOM 0 H ASP A 73 -2.948 -11.447 1.167 1.00 0.85 H new ATOM 0 HA ASP A 73 -2.017 -8.941 2.202 1.00 0.81 H new ATOM 0 HB2 ASP A 73 -3.789 -10.697 3.074 1.00 0.86 H new ATOM 0 HB3 ASP A 73 -2.394 -11.510 3.756 1.00 0.86 H new ATOM 910 N ASN A 74 0.079 -11.382 1.951 1.00 0.90 N ATOM 911 CA ASN A 74 1.476 -11.788 2.112 1.00 0.94 C ATOM 912 C ASN A 74 2.289 -11.419 0.884 1.00 0.92 C ATOM 913 O ASN A 74 3.494 -11.659 0.829 1.00 0.95 O ATOM 914 CB ASN A 74 1.565 -13.294 2.348 1.00 1.03 C ATOM 915 CG ASN A 74 1.037 -13.701 3.707 1.00 1.07 C ATOM 916 OD1 ASN A 74 0.841 -14.886 3.981 1.00 1.14 O ATOM 917 ND2 ASN A 74 0.811 -12.718 4.573 1.00 1.02 N ATOM 0 H ASN A 74 -0.461 -11.988 1.333 1.00 0.90 H new ATOM 0 HA ASN A 74 1.883 -11.262 2.975 1.00 0.94 H new ATOM 0 HB2 ASN A 74 1.002 -13.814 1.573 1.00 1.03 H new ATOM 0 HB3 ASN A 74 2.603 -13.612 2.255 1.00 1.03 H new ATOM 0 HD21 ASN A 74 0.461 -12.932 5.507 1.00 1.02 H new ATOM 0 HD22 ASN A 74 0.987 -11.750 4.303 1.00 1.02 H new ATOM 924 N HIS A 75 1.615 -10.834 -0.102 1.00 0.88 N ATOM 925 CA HIS A 75 2.249 -10.414 -1.348 1.00 0.87 C ATOM 926 C HIS A 75 3.464 -9.517 -1.096 1.00 0.84 C ATOM 927 O HIS A 75 3.692 -9.064 0.026 1.00 0.82 O ATOM 928 CB HIS A 75 1.235 -9.659 -2.216 1.00 0.83 C ATOM 929 CG HIS A 75 1.053 -10.243 -3.583 1.00 0.89 C ATOM 930 ND1 HIS A 75 2.106 -10.450 -4.449 1.00 0.94 N ATOM 931 CD2 HIS A 75 -0.057 -10.664 -4.230 1.00 0.93 C ATOM 932 CE1 HIS A 75 1.649 -10.980 -5.571 1.00 1.00 C ATOM 933 NE2 HIS A 75 0.340 -11.118 -5.463 1.00 0.99 N ATOM 0 H HIS A 75 0.615 -10.638 -0.060 1.00 0.88 H new ATOM 0 HA HIS A 75 2.592 -11.312 -1.862 1.00 0.87 H new ATOM 0 HB2 HIS A 75 0.272 -9.647 -1.705 1.00 0.83 H new ATOM 0 HB3 HIS A 75 1.556 -8.622 -2.314 1.00 0.83 H new ATOM 0 HD2 HIS A 75 -1.067 -10.646 -3.848 1.00 0.93 H new ATOM 0 HE1 HIS A 75 2.245 -11.253 -6.429 1.00 1.00 H new ATOM 0 HE2 HIS A 75 -0.276 -11.500 -6.180 1.00 0.99 H new ATOM 941 N THR A 76 4.229 -9.267 -2.156 1.00 0.86 N ATOM 942 CA THR A 76 5.421 -8.425 -2.106 1.00 0.86 C ATOM 943 C THR A 76 5.947 -8.393 -3.526 1.00 0.90 C ATOM 944 O THR A 76 5.823 -9.383 -4.240 1.00 0.95 O ATOM 945 CB THR A 76 6.518 -9.018 -1.190 1.00 0.91 C ATOM 946 OG1 THR A 76 6.063 -9.022 0.169 1.00 0.89 O ATOM 947 CG2 THR A 76 7.799 -8.200 -1.279 1.00 0.92 C ATOM 0 H THR A 76 4.037 -9.647 -3.083 1.00 0.86 H new ATOM 0 HA THR A 76 5.170 -7.442 -1.708 1.00 0.86 H new ATOM 0 HB THR A 76 6.723 -10.036 -1.520 1.00 0.91 H new ATOM 0 HG1 THR A 76 5.136 -8.706 0.205 1.00 0.89 H new ATOM 0 HG21 THR A 76 8.555 -8.636 -0.626 1.00 0.92 H new ATOM 0 HG22 THR A 76 8.162 -8.202 -2.307 1.00 0.92 H new ATOM 0 HG23 THR A 76 7.599 -7.175 -0.967 1.00 0.92 H new ATOM 955 N PRO A 77 6.532 -7.260 -3.962 1.00 0.88 N ATOM 956 CA PRO A 77 7.072 -7.147 -5.322 1.00 0.94 C ATOM 957 C PRO A 77 7.902 -8.376 -5.681 1.00 1.02 C ATOM 958 O PRO A 77 8.254 -8.596 -6.842 1.00 1.08 O ATOM 959 CB PRO A 77 7.904 -5.876 -5.254 1.00 0.93 C ATOM 960 CG PRO A 77 7.095 -5.028 -4.342 1.00 0.84 C ATOM 961 CD PRO A 77 6.709 -5.991 -3.231 1.00 0.83 C ATOM 0 HA PRO A 77 6.309 -7.098 -6.099 1.00 0.94 H new ATOM 0 HB2 PRO A 77 8.903 -6.062 -4.859 1.00 0.93 H new ATOM 0 HB3 PRO A 77 8.029 -5.417 -6.235 1.00 0.93 H new ATOM 0 HG2 PRO A 77 7.669 -4.183 -3.962 1.00 0.84 H new ATOM 0 HG3 PRO A 77 6.218 -4.618 -4.844 1.00 0.84 H new ATOM 0 HD2 PRO A 77 7.485 -6.065 -2.469 1.00 0.83 H new ATOM 0 HD3 PRO A 77 5.794 -5.682 -2.725 1.00 0.83 H new ATOM 969 N LYS A 78 8.209 -9.165 -4.655 1.00 1.03 N ATOM 970 CA LYS A 78 8.963 -10.400 -4.804 1.00 1.11 C ATOM 971 C LYS A 78 8.129 -11.312 -5.696 1.00 1.14 C ATOM 972 O LYS A 78 8.647 -12.229 -6.336 1.00 1.21 O ATOM 973 CB LYS A 78 9.164 -11.043 -3.428 1.00 1.12 C ATOM 974 CG LYS A 78 9.877 -12.389 -3.436 1.00 1.20 C ATOM 975 CD LYS A 78 9.923 -12.988 -2.035 1.00 1.22 C ATOM 976 CE LYS A 78 10.530 -14.382 -2.038 1.00 1.31 C ATOM 977 NZ LYS A 78 10.490 -15.011 -0.686 1.00 1.33 N ATOM 0 H LYS A 78 7.939 -8.962 -3.693 1.00 1.03 H new ATOM 0 HA LYS A 78 9.946 -10.222 -5.241 1.00 1.11 H new ATOM 0 HB2 LYS A 78 9.731 -10.354 -2.803 1.00 1.12 H new ATOM 0 HB3 LYS A 78 8.188 -11.170 -2.959 1.00 1.12 H new ATOM 0 HG2 LYS A 78 9.364 -13.073 -4.112 1.00 1.20 H new ATOM 0 HG3 LYS A 78 10.891 -12.266 -3.817 1.00 1.20 H new ATOM 0 HD2 LYS A 78 10.505 -12.339 -1.381 1.00 1.22 H new ATOM 0 HD3 LYS A 78 8.914 -13.031 -1.625 1.00 1.22 H new ATOM 0 HE2 LYS A 78 9.991 -15.011 -2.747 1.00 1.31 H new ATOM 0 HE3 LYS A 78 11.563 -14.327 -2.382 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 10.913 -15.960 -0.732 1.00 1.33 H new ATOM 0 HZ2 LYS A 78 11.026 -14.425 -0.014 1.00 1.33 H new ATOM 0 HZ3 LYS A 78 9.503 -15.087 -0.368 1.00 1.33 H new ATOM 991 N GLU A 79 6.830 -11.036 -5.739 1.00 1.09 N ATOM 992 CA GLU A 79 5.889 -11.813 -6.531 1.00 1.13 C ATOM 993 C GLU A 79 5.257 -10.982 -7.645 1.00 1.12 C ATOM 994 O GLU A 79 4.952 -11.504 -8.716 1.00 1.18 O ATOM 995 CB GLU A 79 4.782 -12.360 -5.629 1.00 1.10 C ATOM 996 CG GLU A 79 5.283 -13.077 -4.391 1.00 1.12 C ATOM 997 CD GLU A 79 6.137 -14.280 -4.724 1.00 1.20 C ATOM 998 OE1 GLU A 79 5.654 -15.169 -5.459 1.00 1.25 O ATOM 999 OE2 GLU A 79 7.291 -14.341 -4.250 1.00 1.23 O ATOM 0 H GLU A 79 6.402 -10.266 -5.225 1.00 1.09 H new ATOM 0 HA GLU A 79 6.446 -12.630 -6.990 1.00 1.13 H new ATOM 0 HB2 GLU A 79 4.139 -11.535 -5.322 1.00 1.10 H new ATOM 0 HB3 GLU A 79 4.164 -13.047 -6.207 1.00 1.10 H new ATOM 0 HG2 GLU A 79 5.861 -12.382 -3.782 1.00 1.12 H new ATOM 0 HG3 GLU A 79 4.431 -13.395 -3.790 1.00 1.12 H new ATOM 1006 N LEU A 80 5.064 -9.687 -7.390 1.00 1.06 N ATOM 1007 CA LEU A 80 4.445 -8.785 -8.360 1.00 1.05 C ATOM 1008 C LEU A 80 5.416 -8.115 -9.317 1.00 1.10 C ATOM 1009 O LEU A 80 4.997 -7.508 -10.305 1.00 1.12 O ATOM 1010 CB LEU A 80 3.644 -7.707 -7.633 1.00 0.97 C ATOM 1011 CG LEU A 80 2.383 -8.201 -6.932 1.00 0.94 C ATOM 1012 CD1 LEU A 80 1.727 -7.073 -6.156 1.00 0.85 C ATOM 1013 CD2 LEU A 80 1.435 -8.758 -7.976 1.00 1.00 C ATOM 0 H LEU A 80 5.330 -9.238 -6.514 1.00 1.06 H new ATOM 0 HA LEU A 80 3.801 -9.419 -8.970 1.00 1.05 H new ATOM 0 HB2 LEU A 80 4.290 -7.233 -6.894 1.00 0.97 H new ATOM 0 HB3 LEU A 80 3.364 -6.937 -8.352 1.00 0.97 H new ATOM 0 HG LEU A 80 2.641 -8.984 -6.219 1.00 0.94 H new ATOM 0 HD11 LEU A 80 0.829 -7.445 -5.663 1.00 0.85 H new ATOM 0 HD12 LEU A 80 2.422 -6.694 -5.407 1.00 0.85 H new ATOM 0 HD13 LEU A 80 1.458 -6.269 -6.841 1.00 0.85 H new ATOM 0 HD21 LEU A 80 0.528 -9.116 -7.490 1.00 1.00 H new ATOM 0 HD22 LEU A 80 1.180 -7.975 -8.690 1.00 1.00 H new ATOM 0 HD23 LEU A 80 1.916 -9.584 -8.500 1.00 1.00 H new ATOM 1025 N GLY A 81 6.706 -8.217 -9.023 1.00 1.11 N ATOM 1026 CA GLY A 81 7.704 -7.604 -9.880 1.00 1.16 C ATOM 1027 C GLY A 81 7.384 -6.146 -10.154 1.00 1.13 C ATOM 1028 O GLY A 81 7.719 -5.607 -11.208 1.00 1.18 O ATOM 0 H GLY A 81 7.078 -8.710 -8.211 1.00 1.11 H new ATOM 0 HA2 GLY A 81 8.685 -7.680 -9.410 1.00 1.16 H new ATOM 0 HA3 GLY A 81 7.759 -8.149 -10.823 1.00 1.16 H new ATOM 1032 N MET A 82 6.724 -5.509 -9.197 1.00 1.05 N ATOM 1033 CA MET A 82 6.361 -4.112 -9.341 1.00 1.02 C ATOM 1034 C MET A 82 7.613 -3.251 -9.447 1.00 1.05 C ATOM 1035 O MET A 82 8.421 -3.211 -8.519 1.00 1.02 O ATOM 1036 CB MET A 82 5.532 -3.655 -8.139 1.00 0.93 C ATOM 1037 CG MET A 82 4.272 -4.471 -7.900 1.00 0.90 C ATOM 1038 SD MET A 82 3.202 -3.766 -6.622 1.00 0.80 S ATOM 1039 CE MET A 82 3.818 -4.584 -5.156 1.00 0.76 C ATOM 0 H MET A 82 6.432 -5.937 -8.318 1.00 1.05 H new ATOM 0 HA MET A 82 5.770 -4.001 -10.250 1.00 1.02 H new ATOM 0 HB2 MET A 82 6.154 -3.700 -7.245 1.00 0.93 H new ATOM 0 HB3 MET A 82 5.253 -2.611 -8.281 1.00 0.93 H new ATOM 0 HG2 MET A 82 3.713 -4.547 -8.833 1.00 0.90 H new ATOM 0 HG3 MET A 82 4.552 -5.485 -7.613 1.00 0.90 H new ATOM 0 HE1 MET A 82 2.981 -4.856 -4.512 1.00 0.76 H new ATOM 0 HE2 MET A 82 4.362 -5.484 -5.443 1.00 0.76 H new ATOM 0 HE3 MET A 82 4.486 -3.912 -4.618 1.00 0.76 H new ATOM 1049 N GLU A 83 7.779 -2.570 -10.578 1.00 1.11 N ATOM 1050 CA GLU A 83 8.929 -1.693 -10.775 1.00 1.14 C ATOM 1051 C GLU A 83 8.709 -0.445 -9.924 1.00 1.08 C ATOM 1052 O GLU A 83 8.032 -0.498 -8.897 1.00 1.01 O ATOM 1053 CB GLU A 83 9.057 -1.311 -12.248 1.00 1.23 C ATOM 1054 CG GLU A 83 10.311 -1.896 -12.968 1.00 1.31 C ATOM 1055 CD GLU A 83 10.390 -1.557 -14.462 1.00 1.40 C ATOM 1056 OE1 GLU A 83 9.869 -2.348 -15.288 1.00 1.44 O ATOM 1057 OE2 GLU A 83 10.998 -0.516 -14.813 1.00 1.43 O ATOM 0 H GLU A 83 7.135 -2.608 -11.368 1.00 1.11 H new ATOM 0 HA GLU A 83 9.848 -2.199 -10.480 1.00 1.14 H new ATOM 0 HB2 GLU A 83 8.164 -1.646 -12.775 1.00 1.23 H new ATOM 0 HB3 GLU A 83 9.084 -0.224 -12.326 1.00 1.23 H new ATOM 0 HG2 GLU A 83 11.208 -1.522 -12.474 1.00 1.31 H new ATOM 0 HG3 GLU A 83 10.311 -2.980 -12.852 1.00 1.31 H new ATOM 1064 N GLU A 84 9.287 0.678 -10.336 1.00 1.12 N ATOM 1065 CA GLU A 84 9.100 1.914 -9.589 1.00 1.08 C ATOM 1066 C GLU A 84 7.962 2.654 -10.272 1.00 1.09 C ATOM 1067 O GLU A 84 7.548 2.279 -11.371 1.00 1.14 O ATOM 1068 CB GLU A 84 10.362 2.785 -9.625 1.00 1.14 C ATOM 1069 CG GLU A 84 11.671 2.064 -9.311 1.00 1.17 C ATOM 1070 CD GLU A 84 12.299 1.419 -10.539 1.00 1.25 C ATOM 1071 OE1 GLU A 84 12.600 2.149 -11.508 1.00 1.31 O ATOM 1072 OE2 GLU A 84 12.496 0.184 -10.534 1.00 1.25 O ATOM 0 H GLU A 84 9.876 0.758 -11.165 1.00 1.12 H new ATOM 0 HA GLU A 84 8.885 1.695 -8.543 1.00 1.08 H new ATOM 0 HB2 GLU A 84 10.444 3.234 -10.615 1.00 1.14 H new ATOM 0 HB3 GLU A 84 10.238 3.602 -8.914 1.00 1.14 H new ATOM 0 HG2 GLU A 84 12.376 2.773 -8.878 1.00 1.17 H new ATOM 0 HG3 GLU A 84 11.487 1.298 -8.558 1.00 1.17 H new ATOM 1079 N GLU A 85 7.448 3.693 -9.622 1.00 1.05 N ATOM 1080 CA GLU A 85 6.363 4.496 -10.185 1.00 1.07 C ATOM 1081 C GLU A 85 5.043 3.732 -10.299 1.00 1.04 C ATOM 1082 O GLU A 85 4.037 4.283 -10.744 1.00 1.06 O ATOM 1083 CB GLU A 85 6.773 5.022 -11.568 1.00 1.17 C ATOM 1084 CG GLU A 85 5.787 5.992 -12.199 1.00 1.21 C ATOM 1085 CD GLU A 85 5.673 7.285 -11.423 1.00 1.19 C ATOM 1086 OE1 GLU A 85 6.684 8.012 -11.333 1.00 1.22 O ATOM 1087 OE2 GLU A 85 4.573 7.572 -10.901 1.00 1.14 O ATOM 0 H GLU A 85 7.765 4.001 -8.703 1.00 1.05 H new ATOM 0 HA GLU A 85 6.192 5.322 -9.494 1.00 1.07 H new ATOM 0 HB2 GLU A 85 7.741 5.515 -11.481 1.00 1.17 H new ATOM 0 HB3 GLU A 85 6.906 4.173 -12.239 1.00 1.17 H new ATOM 0 HG2 GLU A 85 6.100 6.211 -13.220 1.00 1.21 H new ATOM 0 HG3 GLU A 85 4.806 5.520 -12.260 1.00 1.21 H new ATOM 1094 N ASP A 86 5.046 2.464 -9.900 1.00 1.00 N ATOM 1095 CA ASP A 86 3.839 1.648 -9.964 1.00 0.97 C ATOM 1096 C ASP A 86 2.647 2.352 -9.342 1.00 0.92 C ATOM 1097 O ASP A 86 2.777 3.431 -8.762 1.00 0.90 O ATOM 1098 CB ASP A 86 4.053 0.313 -9.252 1.00 0.93 C ATOM 1099 CG ASP A 86 4.366 -0.808 -10.210 1.00 1.00 C ATOM 1100 OD1 ASP A 86 3.539 -1.064 -11.109 1.00 1.05 O ATOM 1101 OD2 ASP A 86 5.437 -1.435 -10.067 1.00 1.01 O ATOM 0 H ASP A 86 5.866 1.982 -9.531 1.00 1.00 H new ATOM 0 HA ASP A 86 3.630 1.476 -11.020 1.00 0.97 H new ATOM 0 HB2 ASP A 86 4.869 0.413 -8.536 1.00 0.93 H new ATOM 0 HB3 ASP A 86 3.158 0.061 -8.683 1.00 0.93 H new ATOM 1106 N VAL A 87 1.482 1.727 -9.463 1.00 0.92 N ATOM 1107 CA VAL A 87 0.258 2.287 -8.914 1.00 0.88 C ATOM 1108 C VAL A 87 -0.587 1.205 -8.265 1.00 0.83 C ATOM 1109 O VAL A 87 -0.584 0.056 -8.701 1.00 0.86 O ATOM 1110 CB VAL A 87 -0.587 2.973 -10.012 1.00 0.97 C ATOM 1111 CG1 VAL A 87 -1.930 3.403 -9.448 1.00 0.94 C ATOM 1112 CG2 VAL A 87 0.161 4.172 -10.568 1.00 1.02 C ATOM 0 H VAL A 87 1.361 0.832 -9.937 1.00 0.92 H new ATOM 0 HA VAL A 87 0.553 3.025 -8.168 1.00 0.88 H new ATOM 0 HB VAL A 87 -0.762 2.263 -10.820 1.00 0.97 H new ATOM 0 HG11 VAL A 87 -2.516 3.885 -10.231 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.466 2.529 -9.079 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -1.773 4.104 -8.629 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -0.441 4.650 -11.341 1.00 1.02 H new ATOM 0 HG22 VAL A 87 0.354 4.884 -9.766 1.00 1.02 H new ATOM 0 HG23 VAL A 87 1.108 3.843 -10.997 1.00 1.02 H new ATOM 1122 N ILE A 88 -1.293 1.578 -7.204 1.00 0.76 N ATOM 1123 CA ILE A 88 -2.180 0.660 -6.511 1.00 0.72 C ATOM 1124 C ILE A 88 -3.510 1.370 -6.335 1.00 0.73 C ATOM 1125 O ILE A 88 -3.553 2.558 -6.015 1.00 0.72 O ATOM 1126 CB ILE A 88 -1.656 0.252 -5.112 1.00 0.62 C ATOM 1127 CG1 ILE A 88 -0.385 -0.587 -5.243 1.00 0.63 C ATOM 1128 CG2 ILE A 88 -2.709 -0.573 -4.388 1.00 0.60 C ATOM 1129 CD1 ILE A 88 0.123 -1.145 -3.919 1.00 0.56 C ATOM 0 H ILE A 88 -1.266 2.516 -6.805 1.00 0.76 H new ATOM 0 HA ILE A 88 -2.259 -0.252 -7.102 1.00 0.72 H new ATOM 0 HB ILE A 88 -1.438 1.160 -4.549 1.00 0.62 H new ATOM 0 HG12 ILE A 88 -0.576 -1.415 -5.926 1.00 0.63 H new ATOM 0 HG13 ILE A 88 0.398 0.024 -5.693 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -2.335 -0.857 -3.404 1.00 0.60 H new ATOM 0 HG22 ILE A 88 -3.618 0.017 -4.274 1.00 0.60 H new ATOM 0 HG23 ILE A 88 -2.929 -1.471 -4.966 1.00 0.60 H new ATOM 0 HD11 ILE A 88 1.027 -1.729 -4.093 1.00 0.56 H new ATOM 0 HD12 ILE A 88 0.347 -0.323 -3.240 1.00 0.56 H new ATOM 0 HD13 ILE A 88 -0.641 -1.783 -3.476 1.00 0.56 H new ATOM 1141 N GLU A 89 -4.593 0.635 -6.565 1.00 0.77 N ATOM 1142 CA GLU A 89 -5.932 1.180 -6.425 1.00 0.80 C ATOM 1143 C GLU A 89 -6.549 0.639 -5.146 1.00 0.74 C ATOM 1144 O GLU A 89 -6.336 -0.519 -4.792 1.00 0.72 O ATOM 1145 CB GLU A 89 -6.807 0.767 -7.613 1.00 0.90 C ATOM 1146 CG GLU A 89 -7.301 1.923 -8.472 1.00 0.98 C ATOM 1147 CD GLU A 89 -6.254 2.416 -9.452 1.00 1.02 C ATOM 1148 OE1 GLU A 89 -5.851 1.620 -10.332 1.00 1.06 O ATOM 1149 OE2 GLU A 89 -5.834 3.591 -9.345 1.00 1.01 O ATOM 0 H GLU A 89 -4.565 -0.344 -6.850 1.00 0.77 H new ATOM 0 HA GLU A 89 -5.872 2.268 -6.392 1.00 0.80 H new ATOM 0 HB2 GLU A 89 -6.241 0.081 -8.243 1.00 0.90 H new ATOM 0 HB3 GLU A 89 -7.670 0.217 -7.237 1.00 0.90 H new ATOM 0 HG2 GLU A 89 -8.187 1.608 -9.022 1.00 0.98 H new ATOM 0 HG3 GLU A 89 -7.603 2.747 -7.825 1.00 0.98 H new ATOM 1156 N VAL A 90 -7.297 1.482 -4.446 1.00 0.73 N ATOM 1157 CA VAL A 90 -7.959 1.057 -3.222 1.00 0.69 C ATOM 1158 C VAL A 90 -9.443 1.291 -3.439 1.00 0.77 C ATOM 1159 O VAL A 90 -9.845 2.343 -3.938 1.00 0.82 O ATOM 1160 CB VAL A 90 -7.513 1.878 -1.988 1.00 0.61 C ATOM 1161 CG1 VAL A 90 -8.056 1.242 -0.713 1.00 0.59 C ATOM 1162 CG2 VAL A 90 -6.006 1.961 -1.931 1.00 0.54 C ATOM 0 H VAL A 90 -7.459 2.456 -4.703 1.00 0.73 H new ATOM 0 HA VAL A 90 -7.709 0.015 -3.023 1.00 0.69 H new ATOM 0 HB VAL A 90 -7.913 2.888 -2.075 1.00 0.61 H new ATOM 0 HG11 VAL A 90 -7.737 1.827 0.150 1.00 0.59 H new ATOM 0 HG12 VAL A 90 -9.145 1.219 -0.753 1.00 0.59 H new ATOM 0 HG13 VAL A 90 -7.675 0.225 -0.623 1.00 0.59 H new ATOM 0 HG21 VAL A 90 -5.706 2.541 -1.058 1.00 0.54 H new ATOM 0 HG22 VAL A 90 -5.589 0.957 -1.860 1.00 0.54 H new ATOM 0 HG23 VAL A 90 -5.634 2.445 -2.834 1.00 0.54 H new ATOM 1172 N TYR A 91 -10.255 0.305 -3.085 1.00 0.80 N ATOM 1173 CA TYR A 91 -11.687 0.444 -3.245 1.00 0.88 C ATOM 1174 C TYR A 91 -12.375 0.171 -1.925 1.00 0.87 C ATOM 1175 O TYR A 91 -12.003 -0.752 -1.205 1.00 0.83 O ATOM 1176 CB TYR A 91 -12.213 -0.528 -4.298 1.00 0.96 C ATOM 1177 CG TYR A 91 -11.696 -0.272 -5.693 1.00 1.00 C ATOM 1178 CD1 TYR A 91 -10.403 -0.642 -6.060 1.00 0.96 C ATOM 1179 CD2 TYR A 91 -12.504 0.340 -6.651 1.00 1.08 C ATOM 1180 CE1 TYR A 91 -9.925 -0.411 -7.351 1.00 1.01 C ATOM 1181 CE2 TYR A 91 -12.036 0.574 -7.946 1.00 1.13 C ATOM 1182 CZ TYR A 91 -10.747 0.197 -8.290 1.00 1.10 C ATOM 1183 OH TYR A 91 -10.277 0.428 -9.567 1.00 1.15 O ATOM 0 H TYR A 91 -9.949 -0.585 -2.692 1.00 0.80 H new ATOM 0 HA TYR A 91 -11.899 1.462 -3.572 1.00 0.88 H new ATOM 0 HB2 TYR A 91 -11.945 -1.543 -4.005 1.00 0.96 H new ATOM 0 HB3 TYR A 91 -13.302 -0.477 -4.311 1.00 0.96 H new ATOM 0 HD1 TYR A 91 -9.760 -1.116 -5.333 1.00 0.96 H new ATOM 0 HD2 TYR A 91 -13.508 0.638 -6.387 1.00 1.08 H new ATOM 0 HE1 TYR A 91 -8.920 -0.704 -7.618 1.00 1.01 H new ATOM 0 HE2 TYR A 91 -12.676 1.047 -8.676 1.00 1.13 H new ATOM 0 HH TYR A 91 -10.977 0.860 -10.100 1.00 1.15 H new ATOM 1193 N GLN A 92 -13.366 0.995 -1.605 1.00 0.91 N ATOM 1194 CA GLN A 92 -14.135 0.829 -0.381 1.00 0.92 C ATOM 1195 C GLN A 92 -14.744 -0.566 -0.486 1.00 0.97 C ATOM 1196 O GLN A 92 -15.249 -0.947 -1.547 1.00 1.03 O ATOM 1197 CB GLN A 92 -15.223 1.907 -0.312 1.00 0.98 C ATOM 1198 CG GLN A 92 -16.306 1.707 0.745 1.00 1.02 C ATOM 1199 CD GLN A 92 -15.781 1.709 2.168 1.00 0.97 C ATOM 1200 OE1 GLN A 92 -14.780 2.359 2.477 1.00 0.91 O ATOM 1201 NE2 GLN A 92 -16.475 0.995 3.052 1.00 1.01 N ATOM 0 H GLN A 92 -13.655 1.787 -2.179 1.00 0.91 H new ATOM 0 HA GLN A 92 -13.530 0.930 0.520 1.00 0.92 H new ATOM 0 HB2 GLN A 92 -14.742 2.868 -0.131 1.00 0.98 H new ATOM 0 HB3 GLN A 92 -15.705 1.970 -1.288 1.00 0.98 H new ATOM 0 HG2 GLN A 92 -17.051 2.496 0.642 1.00 1.02 H new ATOM 0 HG3 GLN A 92 -16.814 0.761 0.557 1.00 1.02 H new ATOM 0 HE21 GLN A 92 -17.298 0.472 2.752 1.00 1.01 H new ATOM 0 HE22 GLN A 92 -16.184 0.971 4.029 1.00 1.01 H new ATOM 1210 N GLU A 93 -14.673 -1.340 0.591 1.00 0.95 N ATOM 1211 CA GLU A 93 -15.219 -2.688 0.552 1.00 1.00 C ATOM 1212 C GLU A 93 -16.729 -2.645 0.724 1.00 1.09 C ATOM 1213 O GLU A 93 -17.265 -1.846 1.495 1.00 1.10 O ATOM 1214 CB GLU A 93 -14.586 -3.574 1.627 1.00 0.97 C ATOM 1215 CG GLU A 93 -14.774 -5.064 1.353 1.00 1.02 C ATOM 1216 CD GLU A 93 -14.182 -5.494 0.012 1.00 1.02 C ATOM 1217 OE1 GLU A 93 -12.949 -5.707 -0.061 1.00 0.96 O ATOM 1218 OE2 GLU A 93 -14.955 -5.605 -0.971 1.00 1.08 O ATOM 0 H GLU A 93 -14.254 -1.066 1.480 1.00 0.95 H new ATOM 0 HA GLU A 93 -14.983 -3.122 -0.420 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.521 -3.353 1.692 1.00 0.97 H new ATOM 0 HB3 GLU A 93 -15.022 -3.330 2.596 1.00 0.97 H new ATOM 0 HG2 GLU A 93 -14.307 -5.638 2.153 1.00 1.02 H new ATOM 0 HG3 GLU A 93 -15.838 -5.301 1.369 1.00 1.02 H new ATOM 1225 N GLN A 94 -17.402 -3.528 -0.008 1.00 1.16 N ATOM 1226 CA GLN A 94 -18.854 -3.602 0.000 1.00 1.25 C ATOM 1227 C GLN A 94 -19.291 -5.021 -0.329 1.00 1.31 C ATOM 1228 O GLN A 94 -18.467 -5.858 -0.696 1.00 1.28 O ATOM 1229 CB GLN A 94 -19.388 -2.666 -1.067 1.00 1.29 C ATOM 1230 CG GLN A 94 -18.896 -3.061 -2.446 1.00 1.30 C ATOM 1231 CD GLN A 94 -19.178 -2.017 -3.490 1.00 1.33 C ATOM 1232 OE1 GLN A 94 -18.611 -0.920 -3.465 1.00 1.29 O ATOM 1233 NE2 GLN A 94 -20.063 -2.346 -4.423 1.00 1.42 N ATOM 0 H GLN A 94 -16.955 -4.210 -0.621 1.00 1.16 H new ATOM 0 HA GLN A 94 -19.235 -3.321 0.982 1.00 1.25 H new ATOM 0 HB2 GLN A 94 -20.478 -2.677 -1.051 1.00 1.29 H new ATOM 0 HB3 GLN A 94 -19.077 -1.645 -0.847 1.00 1.29 H new ATOM 0 HG2 GLN A 94 -17.822 -3.245 -2.404 1.00 1.30 H new ATOM 0 HG3 GLN A 94 -19.369 -3.998 -2.740 1.00 1.30 H new ATOM 0 HE21 GLN A 94 -20.507 -3.264 -4.404 1.00 1.42 H new ATOM 0 HE22 GLN A 94 -20.299 -1.681 -5.159 1.00 1.42 H new ATOM 1242 N THR A 95 -20.596 -5.266 -0.213 1.00 1.39 N ATOM 1243 CA THR A 95 -21.195 -6.567 -0.507 1.00 1.45 C ATOM 1244 C THR A 95 -22.587 -6.326 -1.085 1.00 1.54 C ATOM 1245 O THR A 95 -23.115 -5.216 -0.998 1.00 1.55 O ATOM 1246 CB THR A 95 -21.350 -7.425 0.764 1.00 1.47 C ATOM 1247 OG1 THR A 95 -22.247 -6.775 1.675 1.00 1.49 O ATOM 1248 CG2 THR A 95 -20.003 -7.624 1.446 1.00 1.39 C ATOM 0 H THR A 95 -21.271 -4.563 0.089 1.00 1.39 H new ATOM 0 HA THR A 95 -20.545 -7.096 -1.204 1.00 1.45 H new ATOM 0 HB THR A 95 -21.748 -8.398 0.478 1.00 1.47 H new ATOM 0 HG1 THR A 95 -22.347 -7.322 2.482 1.00 1.49 H new ATOM 0 HG21 THR A 95 -20.135 -8.232 2.341 1.00 1.39 H new ATOM 0 HG22 THR A 95 -19.320 -8.128 0.762 1.00 1.39 H new ATOM 0 HG23 THR A 95 -19.589 -6.655 1.724 1.00 1.39 H new ATOM 1256 N GLY A 96 -23.179 -7.362 -1.672 1.00 1.61 N ATOM 1257 CA GLY A 96 -24.510 -7.216 -2.239 1.00 1.70 C ATOM 1258 C GLY A 96 -25.553 -6.956 -1.168 1.00 1.74 C ATOM 1259 O GLY A 96 -25.217 -6.680 -0.016 1.00 1.69 O ATOM 0 H GLY A 96 -22.767 -8.291 -1.765 1.00 1.61 H new ATOM 0 HA2 GLY A 96 -24.512 -6.394 -2.955 1.00 1.70 H new ATOM 0 HA3 GLY A 96 -24.772 -8.120 -2.790 1.00 1.70 H new ATOM 1263 N GLY A 97 -26.822 -7.043 -1.545 1.00 1.82 N ATOM 1264 CA GLY A 97 -27.928 -6.824 -0.612 1.00 1.87 C ATOM 1265 C GLY A 97 -29.166 -7.572 -1.101 1.00 1.97 C ATOM 1266 O GLY A 97 -29.156 -8.144 -2.194 1.00 2.00 O ATOM 0 H GLY A 97 -27.116 -7.265 -2.496 1.00 1.82 H new ATOM 0 HA2 GLY A 97 -27.651 -7.170 0.384 1.00 1.87 H new ATOM 0 HA3 GLY A 97 -28.143 -5.759 -0.531 1.00 1.87 H new TER 1270 GLY A 97 ATOM 1271 N ASP B2705 19.441 -6.565 8.842 1.00 4.63 N ATOM 1272 CA ASP B2705 19.210 -6.213 10.267 1.00 4.28 C ATOM 1273 C ASP B2705 17.718 -6.097 10.567 1.00 3.25 C ATOM 1274 O ASP B2705 16.881 -6.369 9.708 1.00 3.36 O ATOM 1275 CB ASP B2705 19.917 -4.898 10.604 1.00 4.99 C ATOM 1276 CG ASP B2705 21.424 -5.001 10.466 1.00 5.76 C ATOM 1277 OD1 ASP B2705 22.085 -5.383 11.454 1.00 6.16 O ATOM 1278 OD2 ASP B2705 21.941 -4.703 9.369 1.00 6.28 O ATOM 0 HA ASP B2705 19.621 -7.010 10.886 1.00 4.28 H new ATOM 0 HB2 ASP B2705 19.547 -4.111 9.947 1.00 4.99 H new ATOM 0 HB3 ASP B2705 19.667 -4.605 11.624 1.00 4.99 H new ATOM 1285 N ASN B2706 17.393 -5.700 11.794 1.00 2.76 N ATOM 1286 CA ASN B2706 16.004 -5.552 12.219 1.00 2.39 C ATOM 1287 C ASN B2706 15.532 -4.102 12.065 1.00 1.84 C ATOM 1288 O ASN B2706 14.389 -3.770 12.382 1.00 2.37 O ATOM 1289 CB ASN B2706 15.846 -6.014 13.670 1.00 2.90 C ATOM 1290 CG ASN B2706 14.421 -6.418 14.000 1.00 3.58 C ATOM 1291 OD1 ASN B2706 13.692 -6.923 13.146 1.00 3.87 O ATOM 1292 ND2 ASN B2706 14.015 -6.195 15.244 1.00 4.39 N ATOM 0 H ASN B2706 18.077 -5.474 12.516 1.00 2.76 H new ATOM 0 HA ASN B2706 15.382 -6.177 11.578 1.00 2.39 H new ATOM 0 HB2 ASN B2706 16.511 -6.858 13.854 1.00 2.90 H new ATOM 0 HB3 ASN B2706 16.157 -5.212 14.339 1.00 2.90 H new ATOM 0 HD21 ASN B2706 13.066 -6.444 15.523 1.00 4.39 H new ATOM 0 HD22 ASN B2706 14.652 -5.774 15.921 1.00 4.39 H new ATOM 1299 N GLU B2707 16.426 -3.244 11.576 1.00 1.74 N ATOM 1300 CA GLU B2707 16.127 -1.823 11.382 1.00 2.20 C ATOM 1301 C GLU B2707 15.279 -1.576 10.127 1.00 1.81 C ATOM 1302 O GLU B2707 15.121 -0.434 9.690 1.00 2.28 O ATOM 1303 CB GLU B2707 17.428 -1.015 11.306 1.00 3.18 C ATOM 1304 CG GLU B2707 18.117 -0.821 12.651 1.00 3.78 C ATOM 1305 CD GLU B2707 18.883 -2.048 13.111 1.00 3.83 C ATOM 1306 OE1 GLU B2707 20.038 -2.225 12.675 1.00 4.39 O ATOM 1307 OE2 GLU B2707 18.327 -2.832 13.910 1.00 3.75 O ATOM 0 H GLU B2707 17.372 -3.510 11.304 1.00 1.74 H new ATOM 0 HA GLU B2707 15.543 -1.493 12.241 1.00 2.20 H new ATOM 0 HB2 GLU B2707 18.116 -1.517 10.626 1.00 3.18 H new ATOM 0 HB3 GLU B2707 17.212 -0.037 10.876 1.00 3.18 H new ATOM 0 HG2 GLU B2707 18.803 0.023 12.583 1.00 3.78 H new ATOM 0 HG3 GLU B2707 17.369 -0.564 13.402 1.00 3.78 H new ATOM 1314 N ILE B2708 14.747 -2.651 9.545 1.00 1.35 N ATOM 1315 CA ILE B2708 13.905 -2.557 8.353 1.00 1.26 C ATOM 1316 C ILE B2708 12.576 -1.880 8.685 1.00 0.89 C ATOM 1317 O ILE B2708 11.828 -2.356 9.539 1.00 1.03 O ATOM 1318 CB ILE B2708 13.630 -3.955 7.757 1.00 1.95 C ATOM 1319 CG1 ILE B2708 14.948 -4.634 7.377 1.00 2.57 C ATOM 1320 CG2 ILE B2708 12.712 -3.854 6.546 1.00 2.64 C ATOM 1321 CD1 ILE B2708 14.829 -6.131 7.193 1.00 3.48 C ATOM 0 H ILE B2708 14.886 -3.603 9.883 1.00 1.35 H new ATOM 0 HA ILE B2708 14.442 -1.958 7.618 1.00 1.26 H new ATOM 0 HB ILE B2708 13.129 -4.561 8.512 1.00 1.95 H new ATOM 0 HG12 ILE B2708 15.321 -4.192 6.453 1.00 2.57 H new ATOM 0 HG13 ILE B2708 15.688 -4.429 8.150 1.00 2.57 H new ATOM 0 HG21 ILE B2708 12.532 -4.850 6.142 1.00 2.64 H new ATOM 0 HG22 ILE B2708 11.764 -3.406 6.844 1.00 2.64 H new ATOM 0 HG23 ILE B2708 13.182 -3.233 5.784 1.00 2.64 H new ATOM 0 HD11 ILE B2708 15.802 -6.543 6.925 1.00 3.48 H new ATOM 0 HD12 ILE B2708 14.486 -6.586 8.122 1.00 3.48 H new ATOM 0 HD13 ILE B2708 14.113 -6.344 6.399 1.00 3.48 H new ATOM 1333 N GLU B2709 12.286 -0.771 8.006 1.00 0.95 N ATOM 1334 CA GLU B2709 11.053 -0.034 8.255 1.00 0.87 C ATOM 1335 C GLU B2709 10.524 0.635 6.986 1.00 0.65 C ATOM 1336 O GLU B2709 11.284 0.944 6.066 1.00 0.80 O ATOM 1337 CB GLU B2709 11.296 1.018 9.341 1.00 1.45 C ATOM 1338 CG GLU B2709 10.028 1.681 9.847 1.00 2.04 C ATOM 1339 CD GLU B2709 10.277 2.564 11.054 1.00 2.40 C ATOM 1340 OE1 GLU B2709 10.418 2.020 12.169 1.00 2.74 O ATOM 1341 OE2 GLU B2709 10.332 3.800 10.885 1.00 2.91 O ATOM 0 H GLU B2709 12.884 -0.367 7.285 1.00 0.95 H new ATOM 0 HA GLU B2709 10.297 -0.745 8.590 1.00 0.87 H new ATOM 0 HB2 GLU B2709 11.809 0.548 10.180 1.00 1.45 H new ATOM 0 HB3 GLU B2709 11.964 1.785 8.948 1.00 1.45 H new ATOM 0 HG2 GLU B2709 9.590 2.279 9.047 1.00 2.04 H new ATOM 0 HG3 GLU B2709 9.299 0.913 10.107 1.00 2.04 H new ATOM 1348 N VAL B2710 9.210 0.848 6.952 1.00 0.63 N ATOM 1349 CA VAL B2710 8.548 1.483 5.820 1.00 0.56 C ATOM 1350 C VAL B2710 8.206 2.937 6.145 1.00 0.52 C ATOM 1351 O VAL B2710 7.441 3.213 7.070 1.00 0.61 O ATOM 1352 CB VAL B2710 7.257 0.725 5.437 1.00 0.75 C ATOM 1353 CG1 VAL B2710 6.557 1.390 4.262 1.00 1.34 C ATOM 1354 CG2 VAL B2710 7.570 -0.730 5.124 1.00 1.24 C ATOM 0 H VAL B2710 8.578 0.585 7.708 1.00 0.63 H new ATOM 0 HA VAL B2710 9.237 1.455 4.976 1.00 0.56 H new ATOM 0 HB VAL B2710 6.579 0.759 6.290 1.00 0.75 H new ATOM 0 HG11 VAL B2710 5.652 0.834 4.016 1.00 1.34 H new ATOM 0 HG12 VAL B2710 6.293 2.414 4.528 1.00 1.34 H new ATOM 0 HG13 VAL B2710 7.223 1.399 3.399 1.00 1.34 H new ATOM 0 HG21 VAL B2710 6.651 -1.250 4.856 1.00 1.24 H new ATOM 0 HG22 VAL B2710 8.271 -0.780 4.291 1.00 1.24 H new ATOM 0 HG23 VAL B2710 8.013 -1.204 6.000 1.00 1.24 H new ATOM 1364 N ILE B2711 8.780 3.862 5.379 1.00 0.51 N ATOM 1365 CA ILE B2711 8.534 5.287 5.582 1.00 0.51 C ATOM 1366 C ILE B2711 7.648 5.839 4.471 1.00 0.52 C ATOM 1367 O ILE B2711 8.025 5.820 3.301 1.00 0.66 O ATOM 1368 CB ILE B2711 9.854 6.094 5.624 1.00 0.66 C ATOM 1369 CG1 ILE B2711 10.834 5.482 6.634 1.00 0.98 C ATOM 1370 CG2 ILE B2711 9.576 7.554 5.965 1.00 0.83 C ATOM 1371 CD1 ILE B2711 10.322 5.477 8.059 1.00 1.65 C ATOM 0 H ILE B2711 9.418 3.650 4.612 1.00 0.51 H new ATOM 0 HA ILE B2711 8.031 5.393 6.543 1.00 0.51 H new ATOM 0 HB ILE B2711 10.312 6.051 4.636 1.00 0.66 H new ATOM 0 HG12 ILE B2711 11.057 4.458 6.335 1.00 0.98 H new ATOM 0 HG13 ILE B2711 11.772 6.036 6.597 1.00 0.98 H new ATOM 0 HG21 ILE B2711 10.515 8.107 5.990 1.00 0.83 H new ATOM 0 HG22 ILE B2711 8.921 7.986 5.208 1.00 0.83 H new ATOM 0 HG23 ILE B2711 9.093 7.614 6.940 1.00 0.83 H new ATOM 0 HD11 ILE B2711 11.070 5.029 8.713 1.00 1.65 H new ATOM 0 HD12 ILE B2711 10.126 6.500 8.379 1.00 1.65 H new ATOM 0 HD13 ILE B2711 9.400 4.898 8.112 1.00 1.65 H new ATOM 1383 N ILE B2712 6.466 6.324 4.840 1.00 0.60 N ATOM 1384 CA ILE B2712 5.529 6.862 3.862 1.00 0.76 C ATOM 1385 C ILE B2712 5.099 8.282 4.202 1.00 0.66 C ATOM 1386 O ILE B2712 4.622 8.560 5.303 1.00 0.92 O ATOM 1387 CB ILE B2712 4.272 5.969 3.734 1.00 1.23 C ATOM 1388 CG1 ILE B2712 3.523 5.884 5.067 1.00 0.99 C ATOM 1389 CG2 ILE B2712 4.659 4.576 3.260 1.00 1.76 C ATOM 1390 CD1 ILE B2712 2.050 5.581 4.914 1.00 1.49 C ATOM 0 H ILE B2712 6.136 6.355 5.805 1.00 0.60 H new ATOM 0 HA ILE B2712 6.059 6.878 2.910 1.00 0.76 H new ATOM 0 HB ILE B2712 3.608 6.421 2.997 1.00 1.23 H new ATOM 0 HG12 ILE B2712 3.982 5.112 5.684 1.00 0.99 H new ATOM 0 HG13 ILE B2712 3.638 6.828 5.600 1.00 0.99 H new ATOM 0 HG21 ILE B2712 3.764 3.959 3.175 1.00 1.76 H new ATOM 0 HG22 ILE B2712 5.146 4.645 2.287 1.00 1.76 H new ATOM 0 HG23 ILE B2712 5.344 4.125 3.978 1.00 1.76 H new ATOM 0 HD11 ILE B2712 1.584 5.536 5.898 1.00 1.49 H new ATOM 0 HD12 ILE B2712 1.576 6.366 4.324 1.00 1.49 H new ATOM 0 HD13 ILE B2712 1.926 4.623 4.409 1.00 1.49 H new ATOM 1402 N VAL B2713 5.286 9.179 3.237 1.00 0.48 N ATOM 1403 CA VAL B2713 4.902 10.555 3.371 1.00 0.53 C ATOM 1404 C VAL B2713 4.743 11.199 2.002 1.00 0.46 C ATOM 1405 O VAL B2713 5.704 11.344 1.244 1.00 0.73 O ATOM 1406 CB VAL B2713 5.887 11.404 4.214 1.00 0.90 C ATOM 1407 CG1 VAL B2713 5.452 11.465 5.670 1.00 1.67 C ATOM 1408 CG2 VAL B2713 7.314 10.881 4.098 1.00 0.89 C ATOM 0 H VAL B2713 5.713 8.955 2.338 1.00 0.48 H new ATOM 0 HA VAL B2713 3.952 10.541 3.905 1.00 0.53 H new ATOM 0 HB VAL B2713 5.870 12.417 3.812 1.00 0.90 H new ATOM 0 HG11 VAL B2713 6.162 12.067 6.237 1.00 1.67 H new ATOM 0 HG12 VAL B2713 4.461 11.915 5.735 1.00 1.67 H new ATOM 0 HG13 VAL B2713 5.421 10.457 6.083 1.00 1.67 H new ATOM 0 HG21 VAL B2713 7.978 11.499 4.702 1.00 0.89 H new ATOM 0 HG22 VAL B2713 7.354 9.851 4.453 1.00 0.89 H new ATOM 0 HG23 VAL B2713 7.631 10.918 3.056 1.00 0.89 H new ATOM 1418 N TRP B2714 3.509 11.562 1.695 1.00 0.61 N ATOM 1419 CA TRP B2714 3.177 12.215 0.436 1.00 0.78 C ATOM 1420 C TRP B2714 3.260 13.729 0.557 1.00 0.59 C ATOM 1421 O TRP B2714 3.386 14.274 1.655 1.00 0.64 O ATOM 1422 CB TRP B2714 1.766 11.833 0.000 1.00 1.23 C ATOM 1423 CG TRP B2714 1.470 12.179 -1.433 1.00 1.60 C ATOM 1424 CD1 TRP B2714 2.146 11.761 -2.541 1.00 2.29 C ATOM 1425 CD2 TRP B2714 0.428 13.032 -1.904 1.00 1.43 C ATOM 1426 NE1 TRP B2714 1.579 12.292 -3.672 1.00 2.54 N ATOM 1427 CE2 TRP B2714 0.521 13.077 -3.308 1.00 1.99 C ATOM 1428 CE3 TRP B2714 -0.580 13.756 -1.273 1.00 1.04 C ATOM 1429 CZ2 TRP B2714 -0.357 13.822 -4.088 1.00 2.02 C ATOM 1430 CZ3 TRP B2714 -1.450 14.491 -2.047 1.00 1.13 C ATOM 1431 CH2 TRP B2714 -1.335 14.520 -3.440 1.00 1.52 C ATOM 0 H TRP B2714 2.709 11.413 2.309 1.00 0.61 H new ATOM 0 HA TRP B2714 3.902 11.880 -0.306 1.00 0.78 H new ATOM 0 HB2 TRP B2714 1.627 10.761 0.144 1.00 1.23 H new ATOM 0 HB3 TRP B2714 1.046 12.337 0.644 1.00 1.23 H new ATOM 0 HD1 TRP B2714 3.005 11.106 -2.530 1.00 2.29 H new ATOM 0 HE1 TRP B2714 1.895 12.128 -4.628 1.00 2.54 H new ATOM 0 HE3 TRP B2714 -0.678 13.741 -0.198 1.00 1.04 H new ATOM 0 HZ2 TRP B2714 -0.269 13.847 -5.164 1.00 2.02 H new ATOM 0 HZ3 TRP B2714 -2.236 15.056 -1.569 1.00 1.13 H new ATOM 0 HH2 TRP B2714 -2.035 15.107 -4.016 1.00 1.52 H new ATOM 1442 N GLU B2715 3.179 14.398 -0.587 1.00 0.74 N ATOM 1443 CA GLU B2715 3.188 15.844 -0.629 1.00 0.90 C ATOM 1444 C GLU B2715 2.158 16.339 -1.643 1.00 1.00 C ATOM 1445 O GLU B2715 2.118 15.860 -2.776 1.00 1.22 O ATOM 1446 CB GLU B2715 4.578 16.382 -0.977 1.00 1.30 C ATOM 1447 CG GLU B2715 5.461 16.622 0.238 1.00 1.65 C ATOM 1448 CD GLU B2715 5.003 17.807 1.066 1.00 2.28 C ATOM 1449 OE1 GLU B2715 5.439 18.940 0.772 1.00 2.78 O ATOM 1450 OE2 GLU B2715 4.209 17.602 2.009 1.00 2.86 O ATOM 0 H GLU B2715 3.106 13.952 -1.501 1.00 0.74 H new ATOM 0 HA GLU B2715 2.926 16.216 0.361 1.00 0.90 H new ATOM 0 HB2 GLU B2715 5.075 15.677 -1.643 1.00 1.30 H new ATOM 0 HB3 GLU B2715 4.469 17.317 -1.527 1.00 1.30 H new ATOM 0 HG2 GLU B2715 5.466 15.728 0.861 1.00 1.65 H new ATOM 0 HG3 GLU B2715 6.487 16.787 -0.090 1.00 1.65 H new ATOM 1457 N LYS B2716 1.331 17.301 -1.236 1.00 1.01 N ATOM 1458 CA LYS B2716 0.295 17.839 -2.116 1.00 1.14 C ATOM 1459 C LYS B2716 0.871 18.825 -3.125 1.00 1.54 C ATOM 1460 O LYS B2716 1.887 19.474 -2.872 1.00 1.82 O ATOM 1461 CB LYS B2716 -0.813 18.513 -1.303 1.00 1.14 C ATOM 1462 CG LYS B2716 -2.060 17.653 -1.130 1.00 1.00 C ATOM 1463 CD LYS B2716 -2.795 17.429 -2.448 1.00 1.13 C ATOM 1464 CE LYS B2716 -3.541 18.675 -2.892 1.00 1.91 C ATOM 1465 NZ LYS B2716 -4.149 18.504 -4.239 1.00 2.12 N ATOM 0 H LYS B2716 1.358 17.722 -0.307 1.00 1.01 H new ATOM 0 HA LYS B2716 -0.129 16.999 -2.666 1.00 1.14 H new ATOM 0 HB2 LYS B2716 -0.422 18.772 -0.319 1.00 1.14 H new ATOM 0 HB3 LYS B2716 -1.092 19.447 -1.791 1.00 1.14 H new ATOM 0 HG2 LYS B2716 -1.778 16.690 -0.705 1.00 1.00 H new ATOM 0 HG3 LYS B2716 -2.733 18.131 -0.418 1.00 1.00 H new ATOM 0 HD2 LYS B2716 -2.081 17.138 -3.218 1.00 1.13 H new ATOM 0 HD3 LYS B2716 -3.498 16.604 -2.337 1.00 1.13 H new ATOM 0 HE2 LYS B2716 -4.321 18.909 -2.168 1.00 1.91 H new ATOM 0 HE3 LYS B2716 -2.856 19.523 -2.907 1.00 1.91 H new ATOM 0 HZ1 LYS B2716 -4.649 19.375 -4.507 1.00 2.12 H new ATOM 0 HZ2 LYS B2716 -3.402 18.306 -4.935 1.00 2.12 H new ATOM 0 HZ3 LYS B2716 -4.822 17.711 -4.218 1.00 2.12 H new ATOM 1479 N LYS B2717 0.205 18.928 -4.269 1.00 1.64 N ATOM 1480 CA LYS B2717 0.635 19.822 -5.334 1.00 2.06 C ATOM 1481 C LYS B2717 -0.363 20.964 -5.511 1.00 2.07 C ATOM 1482 O LYS B2717 -1.481 20.702 -6.004 1.00 1.91 O ATOM 1483 CB LYS B2717 0.781 19.038 -6.642 1.00 2.26 C ATOM 1484 CG LYS B2717 2.003 19.420 -7.461 1.00 2.77 C ATOM 1485 CD LYS B2717 1.903 20.842 -7.988 1.00 3.42 C ATOM 1486 CE LYS B2717 3.100 21.201 -8.849 1.00 4.08 C ATOM 1487 NZ LYS B2717 3.017 22.596 -9.361 1.00 4.44 N ATOM 1488 OXT LYS B2717 -0.017 22.111 -5.157 1.00 2.51 O ATOM 0 H LYS B2717 -0.641 18.399 -4.482 1.00 1.64 H new ATOM 0 HA LYS B2717 1.601 20.250 -5.065 1.00 2.06 H new ATOM 0 HB2 LYS B2717 0.829 17.974 -6.412 1.00 2.26 H new ATOM 0 HB3 LYS B2717 -0.112 19.193 -7.248 1.00 2.26 H new ATOM 0 HG2 LYS B2717 2.898 19.321 -6.847 1.00 2.77 H new ATOM 0 HG3 LYS B2717 2.112 18.729 -8.297 1.00 2.77 H new ATOM 0 HD2 LYS B2717 0.988 20.952 -8.571 1.00 3.42 H new ATOM 0 HD3 LYS B2717 1.834 21.537 -7.151 1.00 3.42 H new ATOM 0 HE2 LYS B2717 4.014 21.081 -8.268 1.00 4.08 H new ATOM 0 HE3 LYS B2717 3.164 20.509 -9.689 1.00 4.08 H new ATOM 0 HZ1 LYS B2717 3.853 22.802 -9.944 1.00 4.44 H new ATOM 0 HZ2 LYS B2717 2.158 22.704 -9.937 1.00 4.44 H new ATOM 0 HZ3 LYS B2717 2.982 23.258 -8.560 1.00 4.44 H new TER 1502 LYS B2717