USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 751 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 72 SER OG : rot 170:sc= -0.349 USER MOD Set 1.2: A 94 TYR OH : rot -3:sc= 1.3 USER MOD Set 2.1: A 32 GLN : amide:sc=-0.000931 K(o=-0.00093,f=-0.84) USER MOD Set 2.2: A 117 SER OG : rot -120:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.49! K(o=-1.5!,f=-0.045) USER MOD Single : A 41 GLN : amide:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= -0.0237 (180deg=-0.228) USER MOD Single : A 56 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.35) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 1.16 (180deg=1.06) USER MOD Single : A 61 ASN : amide:sc= -0.1 K(o=-0.1,f=-5.2!) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= -0.0304 (180deg=-0.215) USER MOD Single : A 69 CYS SG : rot 137:sc= 0.133 USER MOD Single : A 70 THR OG1 : rot -91:sc= -2.56! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.988) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.039) USER MOD Single : A 89 ASN : amide:sc= 0.968 K(o=0.97,f=-6.2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 91 MET CE :methyl 161:sc= -0.136 (180deg=-0.59) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0.0333 K(o=0.033,f=-0.5) USER MOD Single : A 100 MET CE :methyl 167:sc= -0.0214 (180deg=-0.273) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 103 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 166:sc= -0.0119 (180deg=-0.199) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.538 K(o=-0.54,f=0.026) USER MOD Single : A 109 MET CE :methyl 160:sc= -0.237 (180deg=-1.22) USER MOD Single : A 110 LYS NZ :NH3+ -143:sc= -1.37 (180deg=-3.41!) USER MOD Single : A 111 LYS NZ :NH3+ 166:sc= 1.3 (180deg=0.893) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 123 LYS NZ :NH3+ 177:sc= 0.0319 (180deg=0.0265) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.007 -3.482 11.936 1.00 1.27 N ATOM 31 CA PHE A 28 -5.154 -2.774 10.994 1.00 1.21 C ATOM 32 C PHE A 28 -4.880 -3.646 9.774 1.00 0.94 C ATOM 33 O PHE A 28 -4.780 -4.868 9.888 1.00 0.94 O ATOM 34 CB PHE A 28 -3.834 -2.361 11.662 1.00 1.52 C ATOM 35 CG PHE A 28 -2.951 -3.514 12.062 1.00 1.96 C ATOM 36 CD1 PHE A 28 -1.863 -3.874 11.280 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.205 -4.237 13.218 1.00 2.12 C ATOM 38 CE1 PHE A 28 -1.049 -4.932 11.641 1.00 3.75 C ATOM 39 CE2 PHE A 28 -2.395 -5.296 13.585 1.00 2.99 C ATOM 40 CZ PHE A 28 -1.315 -5.643 12.795 1.00 3.85 C ATOM 0 HA PHE A 28 -5.672 -1.871 10.671 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.281 -1.716 10.979 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -4.060 -1.768 12.548 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -1.649 -3.321 10.378 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.047 -3.969 13.840 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -0.207 -5.202 11.022 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -2.606 -5.851 14.487 1.00 2.99 H new ATOM 0 HZ PHE A 28 -0.680 -6.469 13.080 1.00 3.85 H new ATOM 50 N GLY A 29 -4.745 -3.020 8.618 1.00 0.85 N ATOM 51 CA GLY A 29 -4.522 -3.772 7.402 1.00 0.73 C ATOM 52 C GLY A 29 -3.079 -3.710 6.957 1.00 0.63 C ATOM 53 O GLY A 29 -2.588 -2.651 6.566 1.00 0.69 O ATOM 0 H GLY A 29 -4.785 -2.008 8.499 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.809 -4.812 7.561 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.163 -3.382 6.611 1.00 0.73 H new ATOM 57 N ALA A 30 -2.403 -4.846 7.021 1.00 0.66 N ATOM 58 CA ALA A 30 -0.998 -4.919 6.658 1.00 0.59 C ATOM 59 C ALA A 30 -0.823 -5.561 5.290 1.00 0.56 C ATOM 60 O ALA A 30 -1.393 -6.622 5.007 1.00 0.65 O ATOM 61 CB ALA A 30 -0.223 -5.690 7.713 1.00 0.71 C ATOM 0 H ALA A 30 -2.807 -5.733 7.322 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.603 -3.904 6.606 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.828 -5.738 7.430 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.317 -5.186 8.675 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -0.624 -6.701 7.793 1.00 0.71 H new ATOM 67 N ILE A 31 -0.064 -4.890 4.441 1.00 0.49 N ATOM 68 CA ILE A 31 0.236 -5.369 3.106 1.00 0.53 C ATOM 69 C ILE A 31 1.756 -5.397 2.916 1.00 0.43 C ATOM 70 O ILE A 31 2.475 -4.644 3.563 1.00 0.49 O ATOM 71 CB ILE A 31 -0.322 -4.580 2.180 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.826 -4.411 2.426 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.079 -5.116 0.772 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.484 -3.409 1.500 1.00 0.96 C ATOM 0 H ILE A 31 0.364 -3.991 4.662 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.174 -6.372 2.989 1.00 0.53 H new ATOM 0 HB ILE A 31 0.154 -3.603 2.263 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.316 -5.378 2.308 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.984 -4.097 3.458 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.545 -4.452 0.044 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.993 -5.167 0.582 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.511 -6.113 0.683 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.547 -3.342 1.732 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.021 -2.431 1.634 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.358 -3.732 0.466 1.00 0.96 H new ATOM 86 N GLN A 32 2.248 -6.307 2.101 1.00 0.39 N ATOM 87 CA GLN A 32 3.660 -6.338 1.769 1.00 0.34 C ATOM 88 C GLN A 32 3.829 -6.049 0.288 1.00 0.33 C ATOM 89 O GLN A 32 3.249 -6.741 -0.548 1.00 0.36 O ATOM 90 CB GLN A 32 4.257 -7.700 2.123 1.00 0.37 C ATOM 91 CG GLN A 32 5.750 -7.808 1.872 1.00 0.53 C ATOM 92 CD GLN A 32 6.278 -9.200 2.154 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.568 -10.193 1.990 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.524 -9.284 2.585 1.00 0.86 N ATOM 0 H GLN A 32 1.692 -7.036 1.655 1.00 0.39 H new ATOM 0 HA GLN A 32 4.187 -5.578 2.345 1.00 0.34 H new ATOM 0 HB2 GLN A 32 4.061 -7.908 3.175 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.746 -8.470 1.545 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.963 -7.543 0.836 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.275 -7.088 2.499 1.00 0.53 H new ATOM 0 HE21 GLN A 32 8.079 -8.437 2.708 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.931 -10.196 2.795 1.00 0.86 H new ATOM 103 N LEU A 33 4.601 -5.020 -0.030 1.00 0.38 N ATOM 104 CA LEU A 33 4.794 -4.625 -1.420 1.00 0.41 C ATOM 105 C LEU A 33 6.263 -4.351 -1.703 1.00 0.33 C ATOM 106 O LEU A 33 7.015 -4.028 -0.795 1.00 0.36 O ATOM 107 CB LEU A 33 3.952 -3.393 -1.797 1.00 0.56 C ATOM 108 CG LEU A 33 4.465 -2.018 -1.334 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.555 -0.923 -1.864 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.567 -1.925 0.182 1.00 1.62 C ATOM 0 H LEU A 33 5.101 -4.446 0.649 1.00 0.38 H new ATOM 0 HA LEU A 33 4.457 -5.460 -2.035 1.00 0.41 H new ATOM 0 HB2 LEU A 33 3.857 -3.369 -2.883 1.00 0.56 H new ATOM 0 HB3 LEU A 33 2.950 -3.533 -1.392 1.00 0.56 H new ATOM 0 HG LEU A 33 5.470 -1.888 -1.736 1.00 0.91 H new ATOM 0 HD11 LEU A 33 3.923 0.048 -1.533 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.544 -0.955 -2.953 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.544 -1.076 -1.486 1.00 1.24 H new ATOM 0 HD21 LEU A 33 4.933 -0.937 0.462 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.583 -2.086 0.623 1.00 1.62 H new ATOM 0 HD23 LEU A 33 5.258 -2.685 0.548 1.00 1.62 H new ATOM 122 N ASP A 34 6.662 -4.458 -2.959 1.00 0.33 N ATOM 123 CA ASP A 34 8.056 -4.232 -3.325 1.00 0.34 C ATOM 124 C ASP A 34 8.230 -2.860 -3.955 1.00 0.40 C ATOM 125 O ASP A 34 7.250 -2.194 -4.283 1.00 0.43 O ATOM 126 CB ASP A 34 8.599 -5.330 -4.255 1.00 0.38 C ATOM 127 CG ASP A 34 7.904 -5.438 -5.606 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.392 -4.423 -6.127 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.897 -6.556 -6.168 1.00 1.22 O ATOM 0 H ASP A 34 6.049 -4.698 -3.739 1.00 0.33 H new ATOM 0 HA ASP A 34 8.640 -4.273 -2.406 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.660 -5.149 -4.424 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.517 -6.290 -3.744 1.00 0.38 H new ATOM 134 N GLY A 35 9.487 -2.444 -4.100 1.00 0.47 N ATOM 135 CA GLY A 35 9.808 -1.098 -4.549 1.00 0.57 C ATOM 136 C GLY A 35 9.299 -0.746 -5.942 1.00 0.64 C ATOM 137 O GLY A 35 9.481 0.388 -6.398 1.00 0.79 O ATOM 0 H GLY A 35 10.302 -3.027 -3.911 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.394 -0.385 -3.836 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.891 -0.974 -4.532 1.00 0.57 H new ATOM 141 N ASP A 36 8.673 -1.695 -6.625 1.00 0.58 N ATOM 142 CA ASP A 36 8.097 -1.426 -7.937 1.00 0.66 C ATOM 143 C ASP A 36 6.578 -1.351 -7.856 1.00 0.61 C ATOM 144 O ASP A 36 5.927 -0.799 -8.743 1.00 0.78 O ATOM 145 CB ASP A 36 8.521 -2.483 -8.957 1.00 0.69 C ATOM 146 CG ASP A 36 9.925 -2.255 -9.485 1.00 1.21 C ATOM 147 OD1 ASP A 36 10.095 -1.409 -10.392 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.860 -2.931 -9.014 1.00 1.56 O ATOM 0 H ASP A 36 8.551 -2.653 -6.296 1.00 0.58 H new ATOM 0 HA ASP A 36 8.477 -0.460 -8.271 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.466 -3.469 -8.497 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.819 -2.480 -9.790 1.00 0.69 H new ATOM 153 N GLY A 37 6.013 -1.901 -6.788 1.00 0.51 N ATOM 154 CA GLY A 37 4.582 -1.810 -6.587 1.00 0.53 C ATOM 155 C GLY A 37 3.882 -3.149 -6.662 1.00 0.47 C ATOM 156 O GLY A 37 2.660 -3.204 -6.794 1.00 0.53 O ATOM 0 H GLY A 37 6.519 -2.406 -6.061 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.386 -1.359 -5.614 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.158 -1.143 -7.338 1.00 0.53 H new ATOM 160 N ASN A 38 4.641 -4.233 -6.584 1.00 0.40 N ATOM 161 CA ASN A 38 4.048 -5.565 -6.593 1.00 0.39 C ATOM 162 C ASN A 38 3.659 -5.971 -5.190 1.00 0.34 C ATOM 163 O ASN A 38 4.418 -5.760 -4.245 1.00 0.40 O ATOM 164 CB ASN A 38 5.000 -6.614 -7.175 1.00 0.44 C ATOM 165 CG ASN A 38 5.087 -6.569 -8.690 1.00 0.70 C ATOM 166 OD1 ASN A 38 5.273 -7.597 -9.341 1.00 1.30 O ATOM 167 ND2 ASN A 38 4.948 -5.387 -9.267 1.00 1.24 N ATOM 0 H ASN A 38 5.659 -4.219 -6.514 1.00 0.40 H new ATOM 0 HA ASN A 38 3.164 -5.519 -7.229 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.995 -6.464 -6.756 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.670 -7.606 -6.866 1.00 0.44 H new ATOM 0 HD21 ASN A 38 4.994 -5.307 -10.283 1.00 1.24 H new ATOM 0 HD22 ASN A 38 4.795 -4.556 -8.696 1.00 1.24 H new ATOM 174 N ILE A 39 2.471 -6.533 -5.054 1.00 0.32 N ATOM 175 CA ILE A 39 1.996 -6.999 -3.764 1.00 0.32 C ATOM 176 C ILE A 39 2.422 -8.449 -3.545 1.00 0.36 C ATOM 177 O ILE A 39 2.620 -9.200 -4.503 1.00 0.41 O ATOM 178 CB ILE A 39 0.674 -6.894 -3.667 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.196 -5.519 -4.131 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.214 -7.144 -2.235 1.00 0.43 C ATOM 181 CD1 ILE A 39 0.718 -4.375 -3.283 1.00 0.89 C ATOM 0 H ILE A 39 1.817 -6.678 -5.823 1.00 0.32 H new ATOM 0 HA ILE A 39 2.441 -6.369 -2.993 1.00 0.32 H new ATOM 0 HB ILE A 39 0.236 -7.652 -4.316 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.507 -5.365 -5.164 1.00 0.41 H new ATOM 0 HG13 ILE A 39 -0.894 -5.500 -4.120 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.871 -7.053 -2.180 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.510 -8.147 -1.928 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.674 -6.411 -1.572 1.00 0.43 H new ATOM 0 HD11 ILE A 39 0.337 -3.431 -3.672 1.00 0.89 H new ATOM 0 HD12 ILE A 39 0.385 -4.504 -2.253 1.00 0.89 H new ATOM 0 HD13 ILE A 39 1.808 -4.367 -3.314 1.00 0.89 H new ATOM 193 N LEU A 40 2.646 -8.815 -2.293 1.00 0.40 N ATOM 194 CA LEU A 40 3.041 -10.169 -1.953 1.00 0.49 C ATOM 195 C LEU A 40 2.034 -10.784 -0.998 1.00 0.56 C ATOM 196 O LEU A 40 1.239 -11.644 -1.374 1.00 0.73 O ATOM 197 CB LEU A 40 4.427 -10.195 -1.295 1.00 0.55 C ATOM 198 CG LEU A 40 5.616 -9.791 -2.184 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.614 -8.297 -2.471 1.00 1.39 C ATOM 200 CD2 LEU A 40 6.928 -10.207 -1.533 1.00 1.45 C ATOM 0 H LEU A 40 2.560 -8.188 -1.493 1.00 0.40 H new ATOM 0 HA LEU A 40 3.077 -10.743 -2.879 1.00 0.49 H new ATOM 0 HB2 LEU A 40 4.407 -9.532 -0.430 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.608 -11.202 -0.920 1.00 0.55 H new ATOM 0 HG LEU A 40 5.514 -10.311 -3.136 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.467 -8.046 -3.101 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.691 -8.026 -2.985 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.682 -7.746 -1.533 1.00 1.39 H new ATOM 0 HD21 LEU A 40 7.760 -9.915 -2.173 1.00 1.45 H new ATOM 0 HD22 LEU A 40 7.025 -9.716 -0.565 1.00 1.45 H new ATOM 0 HD23 LEU A 40 6.939 -11.288 -1.395 1.00 1.45 H new ATOM 212 N GLN A 41 2.057 -10.318 0.237 1.00 0.59 N ATOM 213 CA GLN A 41 1.255 -10.914 1.283 1.00 0.73 C ATOM 214 C GLN A 41 0.303 -9.905 1.904 1.00 0.61 C ATOM 215 O GLN A 41 0.675 -8.771 2.202 1.00 0.60 O ATOM 216 CB GLN A 41 2.164 -11.511 2.357 1.00 0.99 C ATOM 217 CG GLN A 41 3.058 -12.627 1.837 1.00 0.88 C ATOM 218 CD GLN A 41 4.135 -13.044 2.820 1.00 1.20 C ATOM 219 OE1 GLN A 41 5.210 -13.493 2.423 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.863 -12.897 4.107 1.00 1.30 N ATOM 0 H GLN A 41 2.625 -9.526 0.538 1.00 0.59 H new ATOM 0 HA GLN A 41 0.652 -11.704 0.835 1.00 0.73 H new ATOM 0 HB2 GLN A 41 2.787 -10.721 2.776 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.549 -11.897 3.170 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.442 -13.493 1.596 1.00 0.88 H new ATOM 0 HG3 GLN A 41 3.529 -12.302 0.909 1.00 0.88 H new ATOM 0 HE21 GLN A 41 2.960 -12.521 4.398 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.556 -13.159 4.808 1.00 1.30 H new ATOM 229 N TYR A 42 -0.935 -10.332 2.068 1.00 0.68 N ATOM 230 CA TYR A 42 -1.933 -9.565 2.796 1.00 0.69 C ATOM 231 C TYR A 42 -2.132 -10.168 4.175 1.00 0.78 C ATOM 232 O TYR A 42 -2.073 -11.385 4.338 1.00 1.25 O ATOM 233 CB TYR A 42 -3.277 -9.566 2.063 1.00 0.78 C ATOM 234 CG TYR A 42 -3.497 -8.399 1.126 1.00 0.68 C ATOM 235 CD1 TYR A 42 -4.755 -7.824 1.014 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.467 -7.873 0.357 1.00 0.57 C ATOM 237 CE1 TYR A 42 -4.985 -6.762 0.164 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.691 -6.808 -0.499 1.00 0.56 C ATOM 239 CZ TYR A 42 -3.952 -6.258 -0.592 1.00 0.63 C ATOM 240 OH TYR A 42 -4.180 -5.200 -1.438 1.00 0.71 O ATOM 0 H TYR A 42 -1.279 -11.220 1.701 1.00 0.68 H new ATOM 0 HA TYR A 42 -1.575 -8.538 2.875 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -3.362 -10.491 1.493 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.077 -9.574 2.803 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.570 -8.216 1.604 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.478 -8.301 0.428 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -5.971 -6.328 0.092 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.881 -6.409 -1.092 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.348 -4.964 -1.898 1.00 0.71 H new ATOM 250 N ASN A 43 -2.374 -9.318 5.163 1.00 0.89 N ATOM 251 CA ASN A 43 -2.712 -9.789 6.504 1.00 0.95 C ATOM 252 C ASN A 43 -4.201 -10.116 6.568 1.00 1.08 C ATOM 253 O ASN A 43 -4.746 -10.424 7.626 1.00 1.63 O ATOM 254 CB ASN A 43 -2.360 -8.722 7.544 1.00 0.96 C ATOM 255 CG ASN A 43 -2.172 -9.285 8.946 1.00 1.38 C ATOM 256 OD1 ASN A 43 -1.068 -9.675 9.323 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.236 -9.329 9.732 1.00 1.66 N ATOM 0 H ASN A 43 -2.344 -8.303 5.065 1.00 0.89 H new ATOM 0 HA ASN A 43 -2.137 -10.689 6.724 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -1.445 -8.215 7.238 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -3.149 -7.971 7.565 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -3.154 -9.694 10.681 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -4.138 -8.998 9.389 1.00 1.66 H new ATOM 264 N ALA A 44 -4.838 -10.001 5.407 1.00 1.12 N ATOM 265 CA ALA A 44 -6.268 -10.296 5.212 1.00 1.23 C ATOM 266 C ALA A 44 -7.169 -9.221 5.822 1.00 1.22 C ATOM 267 O ALA A 44 -8.312 -9.049 5.402 1.00 1.39 O ATOM 268 CB ALA A 44 -6.628 -11.675 5.754 1.00 1.48 C ATOM 0 H ALA A 44 -4.372 -9.694 4.553 1.00 1.12 H new ATOM 0 HA ALA A 44 -6.445 -10.294 4.136 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -7.690 -11.863 5.595 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -6.044 -12.434 5.234 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -6.408 -11.715 6.821 1.00 1.48 H new ATOM 274 N ALA A 45 -6.638 -8.478 6.786 1.00 1.21 N ATOM 275 CA ALA A 45 -7.391 -7.436 7.473 1.00 1.34 C ATOM 276 C ALA A 45 -7.775 -6.289 6.542 1.00 1.26 C ATOM 277 O ALA A 45 -8.677 -5.517 6.846 1.00 1.38 O ATOM 278 CB ALA A 45 -6.590 -6.913 8.648 1.00 1.52 C ATOM 0 H ALA A 45 -5.677 -8.580 7.112 1.00 1.21 H new ATOM 0 HA ALA A 45 -8.319 -7.882 7.830 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.158 -6.134 9.158 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -6.388 -7.728 9.342 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -5.647 -6.499 8.290 1.00 1.52 H new ATOM 284 N GLU A 46 -7.094 -6.177 5.407 1.00 1.18 N ATOM 285 CA GLU A 46 -7.428 -5.144 4.432 1.00 1.23 C ATOM 286 C GLU A 46 -8.769 -5.491 3.784 1.00 1.20 C ATOM 287 O GLU A 46 -9.502 -4.624 3.321 1.00 1.42 O ATOM 288 CB GLU A 46 -6.309 -5.026 3.385 1.00 1.27 C ATOM 289 CG GLU A 46 -6.252 -3.684 2.655 1.00 1.10 C ATOM 290 CD GLU A 46 -7.186 -3.598 1.464 1.00 1.31 C ATOM 291 OE1 GLU A 46 -6.925 -4.266 0.445 1.00 2.12 O ATOM 292 OE2 GLU A 46 -8.368 -2.749 1.494 1.00 1.31 O ATOM 0 H GLU A 46 -6.316 -6.781 5.141 1.00 1.18 H new ATOM 0 HA GLU A 46 -7.518 -4.176 4.925 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -5.351 -5.197 3.877 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -6.435 -5.819 2.648 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.499 -2.888 3.357 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.231 -3.507 2.318 1.00 1.10 H new ATOM 300 N GLY A 47 -9.104 -6.774 3.810 1.00 1.08 N ATOM 301 CA GLY A 47 -10.364 -7.220 3.263 1.00 1.18 C ATOM 302 C GLY A 47 -11.451 -7.284 4.316 1.00 1.25 C ATOM 303 O GLY A 47 -12.508 -7.866 4.088 1.00 1.42 O ATOM 0 H GLY A 47 -8.522 -7.514 4.202 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.672 -6.544 2.465 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.236 -8.205 2.815 1.00 1.18 H new ATOM 307 N ASP A 48 -11.184 -6.680 5.468 1.00 1.26 N ATOM 308 CA ASP A 48 -12.145 -6.643 6.568 1.00 1.49 C ATOM 309 C ASP A 48 -13.328 -5.754 6.207 1.00 1.53 C ATOM 310 O ASP A 48 -14.486 -6.118 6.416 1.00 1.74 O ATOM 311 CB ASP A 48 -11.465 -6.128 7.845 1.00 1.72 C ATOM 312 CG ASP A 48 -12.394 -6.078 9.044 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.127 -5.075 9.195 1.00 2.28 O ATOM 314 OD2 ASP A 48 -12.377 -7.027 9.857 1.00 2.35 O ATOM 0 H ASP A 48 -10.303 -6.205 5.667 1.00 1.26 H new ATOM 0 HA ASP A 48 -12.511 -7.654 6.747 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -10.615 -6.769 8.079 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.069 -5.130 7.660 1.00 1.72 H new ATOM 319 N ILE A 49 -13.028 -4.591 5.641 1.00 1.50 N ATOM 320 CA ILE A 49 -14.051 -3.635 5.268 1.00 1.74 C ATOM 321 C ILE A 49 -14.750 -4.018 3.961 1.00 1.73 C ATOM 322 O ILE A 49 -15.979 -4.049 3.900 1.00 2.08 O ATOM 323 CB ILE A 49 -13.550 -2.411 5.179 1.00 1.98 C ATOM 324 CG1 ILE A 49 -12.230 -2.376 4.403 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.387 -1.811 6.569 1.00 2.43 C ATOM 326 CD1 ILE A 49 -11.542 -1.025 4.420 1.00 2.59 C ATOM 0 H ILE A 49 -12.076 -4.290 5.431 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.800 -3.651 6.060 1.00 1.74 H new ATOM 0 HB ILE A 49 -14.257 -1.805 4.613 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -11.554 -3.122 4.821 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.420 -2.663 3.369 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -12.975 -0.805 6.485 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -14.358 -1.765 7.062 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -12.711 -2.432 7.157 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -10.615 -1.082 3.849 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -12.198 -0.277 3.974 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -11.318 -0.744 5.449 1.00 2.59 H new ATOM 338 N THR A 50 -13.982 -4.370 2.941 1.00 1.71 N ATOM 339 CA THR A 50 -14.555 -4.670 1.640 1.00 1.95 C ATOM 340 C THR A 50 -14.407 -6.154 1.307 1.00 1.90 C ATOM 341 O THR A 50 -15.397 -6.871 1.150 1.00 2.37 O ATOM 342 CB THR A 50 -13.981 -3.947 0.695 1.00 2.44 C ATOM 343 OG1 THR A 50 -13.784 -2.604 1.165 1.00 3.41 O ATOM 344 CG2 THR A 50 -14.822 -3.931 -0.574 1.00 2.45 C ATOM 0 H THR A 50 -12.967 -4.454 2.989 1.00 1.71 H new ATOM 0 HA THR A 50 -15.615 -4.421 1.683 1.00 1.95 H new ATOM 0 HB THR A 50 -13.018 -4.398 0.458 1.00 2.44 H new ATOM 0 HG1 THR A 50 -13.357 -2.071 0.462 1.00 3.41 H new ATOM 0 HG21 THR A 50 -14.324 -3.328 -1.333 1.00 2.45 H new ATOM 0 HG22 THR A 50 -14.944 -4.950 -0.942 1.00 2.45 H new ATOM 0 HG23 THR A 50 -15.801 -3.504 -0.356 1.00 2.45 H new ATOM 352 N GLY A 51 -13.168 -6.615 1.216 1.00 1.87 N ATOM 353 CA GLY A 51 -12.913 -8.002 0.886 1.00 2.32 C ATOM 354 C GLY A 51 -11.757 -8.146 -0.081 1.00 1.77 C ATOM 355 O GLY A 51 -11.742 -7.507 -1.131 1.00 2.08 O ATOM 0 H GLY A 51 -12.332 -6.051 1.366 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.696 -8.559 1.798 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.809 -8.443 0.449 1.00 2.32 H new ATOM 359 N ARG A 52 -10.780 -8.967 0.282 1.00 1.46 N ATOM 360 CA ARG A 52 -9.598 -9.182 -0.547 1.00 1.09 C ATOM 361 C ARG A 52 -9.233 -10.656 -0.532 1.00 1.03 C ATOM 362 O ARG A 52 -9.575 -11.371 0.411 1.00 1.29 O ATOM 363 CB ARG A 52 -8.397 -8.378 -0.031 1.00 1.22 C ATOM 364 CG ARG A 52 -8.662 -6.897 0.169 1.00 1.55 C ATOM 365 CD ARG A 52 -8.986 -6.184 -1.132 1.00 1.67 C ATOM 366 NE ARG A 52 -9.226 -4.767 -0.898 1.00 1.96 N ATOM 367 CZ ARG A 52 -10.291 -4.102 -1.331 1.00 2.47 C ATOM 368 NH1 ARG A 52 -11.201 -4.706 -2.087 1.00 2.72 N ATOM 369 NH2 ARG A 52 -10.446 -2.828 -1.004 1.00 3.14 N ATOM 0 H ARG A 52 -10.782 -9.499 1.152 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.834 -8.851 -1.558 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -8.071 -8.806 0.917 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.571 -8.494 -0.733 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -9.491 -6.770 0.865 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -7.788 -6.433 0.626 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -8.162 -6.307 -1.835 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -9.866 -6.636 -1.590 1.00 1.67 H new ATOM 0 HE ARG A 52 -8.528 -4.249 -0.364 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -11.085 -5.688 -2.339 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -12.016 -4.188 -2.416 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -9.749 -2.362 -0.422 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -11.262 -2.312 -1.334 1.00 3.14 H new ATOM 383 N ASP A 53 -8.536 -11.104 -1.559 1.00 0.94 N ATOM 384 CA ASP A 53 -8.089 -12.486 -1.618 1.00 1.00 C ATOM 385 C ASP A 53 -6.610 -12.603 -1.286 1.00 0.89 C ATOM 386 O ASP A 53 -5.757 -12.015 -1.960 1.00 0.82 O ATOM 387 CB ASP A 53 -8.361 -13.095 -2.988 1.00 1.18 C ATOM 388 CG ASP A 53 -9.811 -13.485 -3.169 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.244 -14.481 -2.549 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.526 -12.806 -3.938 1.00 2.10 O ATOM 0 H ASP A 53 -8.267 -10.535 -2.362 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.657 -13.039 -0.871 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.081 -12.381 -3.762 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.732 -13.975 -3.123 1.00 1.18 H new ATOM 395 N PRO A 54 -6.288 -13.361 -0.230 1.00 1.02 N ATOM 396 CA PRO A 54 -4.911 -13.584 0.196 1.00 1.10 C ATOM 397 C PRO A 54 -4.082 -14.295 -0.870 1.00 1.03 C ATOM 398 O PRO A 54 -4.408 -15.409 -1.287 1.00 1.68 O ATOM 399 CB PRO A 54 -5.047 -14.461 1.448 1.00 1.35 C ATOM 400 CG PRO A 54 -6.461 -14.300 1.887 1.00 1.43 C ATOM 401 CD PRO A 54 -7.251 -14.056 0.637 1.00 1.25 C ATOM 0 HA PRO A 54 -4.391 -12.644 0.382 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.820 -15.504 1.225 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.354 -14.144 2.228 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -6.814 -15.192 2.405 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.562 -13.467 2.582 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.598 -14.988 0.190 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.134 -13.447 0.830 1.00 1.25 H new ATOM 409 N LYS A 55 -3.032 -13.604 -1.317 1.00 0.89 N ATOM 410 CA LYS A 55 -2.028 -14.140 -2.248 1.00 0.96 C ATOM 411 C LYS A 55 -2.487 -14.060 -3.700 1.00 0.82 C ATOM 412 O LYS A 55 -1.800 -14.535 -4.603 1.00 0.92 O ATOM 413 CB LYS A 55 -1.625 -15.577 -1.899 1.00 1.26 C ATOM 414 CG LYS A 55 -0.911 -15.709 -0.563 1.00 1.53 C ATOM 415 CD LYS A 55 -0.347 -17.106 -0.380 1.00 2.06 C ATOM 416 CE LYS A 55 0.283 -17.284 0.992 1.00 2.89 C ATOM 417 NZ LYS A 55 -0.725 -17.178 2.076 1.00 3.61 N ATOM 0 H LYS A 55 -2.849 -12.640 -1.040 1.00 0.89 H new ATOM 0 HA LYS A 55 -1.149 -13.505 -2.137 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -2.518 -16.201 -1.886 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -0.977 -15.964 -2.686 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -0.105 -14.978 -0.504 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -1.605 -15.485 0.247 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -1.142 -17.840 -0.513 1.00 2.06 H new ATOM 0 HD3 LYS A 55 0.399 -17.301 -1.151 1.00 2.06 H new ATOM 0 HE2 LYS A 55 0.773 -18.256 1.044 1.00 2.89 H new ATOM 0 HE3 LYS A 55 1.056 -16.529 1.138 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -0.318 -17.534 2.964 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -1.002 -16.183 2.196 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -1.562 -17.743 1.828 1.00 3.61 H new ATOM 431 N GLN A 56 -3.632 -13.440 -3.926 1.00 0.72 N ATOM 432 CA GLN A 56 -4.098 -13.193 -5.283 1.00 0.73 C ATOM 433 C GLN A 56 -3.603 -11.832 -5.752 1.00 0.63 C ATOM 434 O GLN A 56 -3.839 -11.418 -6.884 1.00 0.79 O ATOM 435 CB GLN A 56 -5.623 -13.273 -5.344 1.00 0.87 C ATOM 436 CG GLN A 56 -6.151 -14.680 -5.120 1.00 1.32 C ATOM 437 CD GLN A 56 -5.852 -15.605 -6.283 1.00 1.92 C ATOM 438 OE1 GLN A 56 -4.789 -16.216 -6.351 1.00 2.50 O ATOM 439 NE2 GLN A 56 -6.800 -15.733 -7.195 1.00 2.41 N ATOM 0 H GLN A 56 -4.255 -13.099 -3.193 1.00 0.72 H new ATOM 0 HA GLN A 56 -3.697 -13.958 -5.948 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.047 -12.607 -4.592 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -5.962 -12.914 -6.316 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -5.710 -15.090 -4.211 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -7.228 -14.639 -4.960 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -7.670 -15.208 -7.104 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -6.662 -16.357 -7.990 1.00 2.41 H new ATOM 448 N VAL A 57 -2.893 -11.152 -4.860 1.00 0.52 N ATOM 449 CA VAL A 57 -2.313 -9.849 -5.156 1.00 0.48 C ATOM 450 C VAL A 57 -0.841 -9.961 -5.522 1.00 0.55 C ATOM 451 O VAL A 57 -0.136 -8.960 -5.613 1.00 0.97 O ATOM 452 CB VAL A 57 -2.432 -9.011 -4.142 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.852 -8.465 -4.063 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.043 -9.679 -2.830 1.00 0.58 C ATOM 0 H VAL A 57 -2.704 -11.487 -3.915 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.872 -9.460 -6.007 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.749 -8.179 -4.312 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.931 -7.777 -3.222 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.091 -7.938 -4.987 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.552 -9.289 -3.924 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.151 -8.966 -2.013 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -2.692 -10.536 -2.652 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.007 -10.014 -2.885 1.00 0.58 H new ATOM 464 N ILE A 58 -0.378 -11.179 -5.723 1.00 0.51 N ATOM 465 CA ILE A 58 1.016 -11.399 -6.057 1.00 0.57 C ATOM 466 C ILE A 58 1.224 -11.146 -7.540 1.00 0.57 C ATOM 467 O ILE A 58 0.423 -11.583 -8.367 1.00 0.66 O ATOM 468 CB ILE A 58 1.425 -12.623 -5.736 1.00 0.70 C ATOM 469 CG1 ILE A 58 1.114 -12.930 -4.268 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.921 -12.781 -6.004 1.00 1.09 C ATOM 471 CD1 ILE A 58 1.555 -14.309 -3.825 1.00 1.01 C ATOM 0 H ILE A 58 -0.942 -12.027 -5.662 1.00 0.51 H new ATOM 0 HA ILE A 58 1.615 -10.701 -5.472 1.00 0.57 H new ATOM 0 HB ILE A 58 0.885 -13.334 -6.361 1.00 0.70 H new ATOM 0 HG12 ILE A 58 1.600 -12.184 -3.640 1.00 0.93 H new ATOM 0 HG13 ILE A 58 0.041 -12.832 -4.106 1.00 0.93 H new ATOM 0 HG21 ILE A 58 3.234 -13.790 -5.734 1.00 1.09 H new ATOM 0 HG22 ILE A 58 3.121 -12.609 -7.062 1.00 1.09 H new ATOM 0 HG23 ILE A 58 3.476 -12.057 -5.407 1.00 1.09 H new ATOM 0 HD11 ILE A 58 1.301 -14.452 -2.775 1.00 1.01 H new ATOM 0 HD12 ILE A 58 1.049 -15.064 -4.427 1.00 1.01 H new ATOM 0 HD13 ILE A 58 2.633 -14.405 -3.954 1.00 1.01 H new ATOM 483 N GLY A 59 2.254 -10.378 -7.869 1.00 0.59 N ATOM 484 CA GLY A 59 2.452 -9.968 -9.242 1.00 0.66 C ATOM 485 C GLY A 59 1.384 -8.990 -9.670 1.00 0.56 C ATOM 486 O GLY A 59 1.106 -8.822 -10.861 1.00 0.65 O ATOM 0 H GLY A 59 2.953 -10.033 -7.211 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.435 -9.510 -9.351 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.433 -10.842 -9.893 1.00 0.66 H new ATOM 490 N LYS A 60 0.771 -8.362 -8.682 1.00 0.48 N ATOM 491 CA LYS A 60 -0.235 -7.356 -8.916 1.00 0.45 C ATOM 492 C LYS A 60 0.323 -5.998 -8.537 1.00 0.38 C ATOM 493 O LYS A 60 0.916 -5.843 -7.469 1.00 0.43 O ATOM 494 CB LYS A 60 -1.482 -7.663 -8.091 1.00 0.49 C ATOM 495 CG LYS A 60 -2.652 -8.194 -8.904 1.00 0.80 C ATOM 496 CD LYS A 60 -3.906 -8.296 -8.051 1.00 1.12 C ATOM 497 CE LYS A 60 -5.062 -8.927 -8.811 1.00 1.27 C ATOM 498 NZ LYS A 60 -5.440 -8.143 -10.015 1.00 1.82 N ATOM 0 H LYS A 60 0.961 -8.540 -7.696 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.510 -7.352 -9.971 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.226 -8.394 -7.324 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.795 -6.755 -7.575 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.838 -7.536 -9.753 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -2.403 -9.175 -9.309 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.692 -8.887 -7.161 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -4.195 -7.302 -7.711 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.788 -9.939 -9.110 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.925 -9.013 -8.150 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -6.264 -8.584 -10.472 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -5.678 -7.170 -9.735 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -4.643 -8.126 -10.682 1.00 1.82 H new ATOM 512 N ASN A 61 0.154 -5.025 -9.408 1.00 0.43 N ATOM 513 CA ASN A 61 0.677 -3.696 -9.146 1.00 0.42 C ATOM 514 C ASN A 61 -0.367 -2.868 -8.415 1.00 0.39 C ATOM 515 O ASN A 61 -1.327 -2.404 -9.018 1.00 0.42 O ATOM 516 CB ASN A 61 1.077 -2.999 -10.446 1.00 0.52 C ATOM 517 CG ASN A 61 1.877 -1.737 -10.194 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.317 -0.672 -9.947 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.193 -1.844 -10.283 1.00 0.71 N ATOM 0 H ASN A 61 -0.337 -5.125 -10.297 1.00 0.43 H new ATOM 0 HA ASN A 61 1.566 -3.793 -8.523 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.664 -3.684 -11.058 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.181 -2.752 -11.015 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.782 -1.023 -10.145 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.618 -2.748 -10.490 1.00 0.71 H new ATOM 526 N PHE A 62 -0.181 -2.707 -7.113 1.00 0.38 N ATOM 527 CA PHE A 62 -1.118 -1.959 -6.275 1.00 0.40 C ATOM 528 C PHE A 62 -1.449 -0.595 -6.874 1.00 0.47 C ATOM 529 O PHE A 62 -2.597 -0.156 -6.846 1.00 0.70 O ATOM 530 CB PHE A 62 -0.524 -1.768 -4.876 1.00 0.43 C ATOM 531 CG PHE A 62 -1.466 -1.147 -3.878 1.00 0.45 C ATOM 532 CD1 PHE A 62 -1.328 0.182 -3.506 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.487 -1.894 -3.307 1.00 0.51 C ATOM 534 CE1 PHE A 62 -2.190 0.753 -2.587 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.349 -1.327 -2.389 1.00 0.56 C ATOM 536 CZ PHE A 62 -3.201 -0.002 -2.028 1.00 0.53 C ATOM 0 H PHE A 62 0.618 -3.087 -6.606 1.00 0.38 H new ATOM 0 HA PHE A 62 -2.041 -2.536 -6.216 1.00 0.40 H new ATOM 0 HB2 PHE A 62 -0.200 -2.737 -4.497 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.366 -1.143 -4.955 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.538 0.778 -3.939 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.609 -2.931 -3.584 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -2.072 1.789 -2.307 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.139 -1.920 -1.953 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.875 0.442 -1.310 1.00 0.53 H new ATOM 546 N PHE A 63 -0.445 0.052 -7.443 1.00 0.46 N ATOM 547 CA PHE A 63 -0.581 1.428 -7.893 1.00 0.55 C ATOM 548 C PHE A 63 -1.361 1.539 -9.203 1.00 0.66 C ATOM 549 O PHE A 63 -1.893 2.600 -9.525 1.00 0.91 O ATOM 550 CB PHE A 63 0.801 2.058 -8.045 1.00 0.57 C ATOM 551 CG PHE A 63 1.593 2.071 -6.765 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.460 1.034 -6.460 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.472 3.120 -5.869 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.189 1.043 -5.285 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.200 3.134 -4.693 1.00 1.04 C ATOM 556 CZ PHE A 63 3.054 2.091 -4.400 1.00 1.16 C ATOM 0 H PHE A 63 0.476 -0.355 -7.605 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.152 1.967 -7.137 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.360 1.512 -8.805 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.689 3.081 -8.405 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.568 0.209 -7.148 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.801 3.937 -6.091 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.863 0.230 -5.061 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.100 3.960 -4.005 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.616 2.096 -3.478 1.00 1.16 H new ATOM 566 N LYS A 64 -1.434 0.448 -9.949 1.00 0.57 N ATOM 567 CA LYS A 64 -2.075 0.464 -11.254 1.00 0.72 C ATOM 568 C LYS A 64 -3.301 -0.444 -11.306 1.00 0.72 C ATOM 569 O LYS A 64 -4.252 -0.171 -12.039 1.00 0.90 O ATOM 570 CB LYS A 64 -1.072 0.023 -12.312 1.00 0.82 C ATOM 571 CG LYS A 64 0.055 1.016 -12.547 1.00 1.56 C ATOM 572 CD LYS A 64 -0.460 2.335 -13.104 1.00 2.11 C ATOM 573 CE LYS A 64 -1.133 2.151 -14.457 1.00 2.85 C ATOM 574 NZ LYS A 64 -0.210 1.570 -15.466 1.00 3.58 N ATOM 0 H LYS A 64 -1.058 -0.459 -9.673 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.412 1.483 -11.446 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -0.643 -0.934 -12.015 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -1.599 -0.142 -13.252 1.00 0.82 H new ATOM 0 HG2 LYS A 64 0.580 1.198 -11.609 1.00 1.56 H new ATOM 0 HG3 LYS A 64 0.779 0.587 -13.240 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -1.169 2.774 -12.402 1.00 2.11 H new ATOM 0 HD3 LYS A 64 0.368 3.037 -13.202 1.00 2.11 H new ATOM 0 HE2 LYS A 64 -2.001 1.502 -14.344 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -1.499 3.114 -14.813 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 -0.635 1.649 -16.412 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 0.693 2.086 -15.448 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 -0.041 0.568 -15.245 1.00 3.58 H new ATOM 588 N ASP A 65 -3.275 -1.512 -10.527 1.00 0.60 N ATOM 589 CA ASP A 65 -4.284 -2.560 -10.626 1.00 0.69 C ATOM 590 C ASP A 65 -5.484 -2.285 -9.728 1.00 0.74 C ATOM 591 O ASP A 65 -6.517 -1.801 -10.188 1.00 1.10 O ATOM 592 CB ASP A 65 -3.667 -3.916 -10.268 1.00 0.79 C ATOM 593 CG ASP A 65 -4.563 -5.095 -10.607 1.00 1.38 C ATOM 594 OD1 ASP A 65 -4.436 -5.654 -11.717 1.00 1.50 O ATOM 595 OD2 ASP A 65 -5.429 -5.443 -9.775 1.00 2.20 O ATOM 0 H ASP A 65 -2.564 -1.679 -9.815 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.639 -2.576 -11.656 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.719 -4.026 -10.795 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.443 -3.935 -9.202 1.00 0.79 H new ATOM 600 N VAL A 66 -5.341 -2.570 -8.439 1.00 0.70 N ATOM 601 CA VAL A 66 -6.483 -2.556 -7.537 1.00 0.82 C ATOM 602 C VAL A 66 -6.550 -1.254 -6.727 1.00 0.70 C ATOM 603 O VAL A 66 -7.302 -1.132 -5.758 1.00 0.80 O ATOM 604 CB VAL A 66 -6.435 -3.619 -6.742 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.354 -3.486 -5.666 1.00 1.45 C ATOM 606 CG2 VAL A 66 -7.796 -3.945 -6.141 1.00 1.77 C ATOM 0 H VAL A 66 -4.453 -2.811 -7.999 1.00 0.70 H new ATOM 0 HA VAL A 66 -7.395 -2.601 -8.132 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.154 -4.465 -7.369 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.352 -4.378 -5.040 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -4.379 -3.374 -6.141 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.560 -2.611 -5.050 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -7.709 -4.821 -5.498 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -8.147 -3.097 -5.553 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -8.507 -4.151 -6.941 1.00 1.77 H new ATOM 616 N ALA A 67 -5.780 -0.271 -7.159 1.00 0.56 N ATOM 617 CA ALA A 67 -5.791 1.047 -6.530 1.00 0.53 C ATOM 618 C ALA A 67 -5.044 2.075 -7.375 1.00 0.49 C ATOM 619 O ALA A 67 -3.970 2.533 -6.994 1.00 0.61 O ATOM 620 CB ALA A 67 -5.191 0.981 -5.128 1.00 0.60 C ATOM 0 H ALA A 67 -5.136 -0.357 -7.945 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.831 1.365 -6.453 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.209 1.973 -4.677 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.774 0.294 -4.515 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -4.161 0.629 -5.189 1.00 0.60 H new ATOM 626 N PRO A 68 -5.606 2.456 -8.537 1.00 0.44 N ATOM 627 CA PRO A 68 -4.985 3.442 -9.432 1.00 0.47 C ATOM 628 C PRO A 68 -4.971 4.870 -8.863 1.00 0.55 C ATOM 629 O PRO A 68 -4.680 5.824 -9.582 1.00 0.81 O ATOM 630 CB PRO A 68 -5.847 3.378 -10.697 1.00 0.56 C ATOM 631 CG PRO A 68 -7.162 2.850 -10.243 1.00 0.69 C ATOM 632 CD PRO A 68 -6.872 1.934 -9.087 1.00 0.47 C ATOM 0 HA PRO A 68 -3.933 3.209 -9.598 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -5.953 4.363 -11.152 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.398 2.727 -11.447 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.823 3.662 -9.940 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.664 2.313 -11.048 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.671 1.959 -8.346 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.771 0.899 -9.412 1.00 0.47 H new ATOM 640 N CYS A 69 -5.290 5.022 -7.577 1.00 0.51 N ATOM 641 CA CYS A 69 -5.163 6.321 -6.920 1.00 0.61 C ATOM 642 C CYS A 69 -3.716 6.562 -6.539 1.00 0.59 C ATOM 643 O CYS A 69 -3.343 7.683 -6.200 1.00 0.81 O ATOM 644 CB CYS A 69 -6.028 6.426 -5.657 1.00 0.85 C ATOM 645 SG CYS A 69 -7.820 6.266 -5.931 1.00 0.81 S ATOM 0 H CYS A 69 -5.634 4.272 -6.977 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.508 7.073 -7.630 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -5.713 5.654 -4.955 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -5.834 7.387 -5.181 1.00 0.85 H new ATOM 0 HG CYS A 69 -8.333 5.504 -5.011 1.00 0.81 H new ATOM 650 N THR A 70 -3.027 5.466 -6.259 1.00 0.61 N ATOM 651 CA THR A 70 -1.821 5.521 -5.459 1.00 0.58 C ATOM 652 C THR A 70 -0.646 5.995 -6.303 1.00 0.55 C ATOM 653 O THR A 70 0.174 6.794 -5.848 1.00 0.64 O ATOM 654 CB THR A 70 -1.561 4.344 -4.938 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.677 3.331 -5.944 1.00 1.33 O ATOM 656 CG2 THR A 70 -2.500 4.039 -3.786 1.00 1.07 C ATOM 0 H THR A 70 -3.285 4.531 -6.575 1.00 0.61 H new ATOM 0 HA THR A 70 -1.978 6.232 -4.648 1.00 0.58 H new ATOM 0 HB THR A 70 -0.542 4.358 -4.552 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.592 2.979 -5.950 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.263 3.059 -3.373 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.384 4.797 -3.011 1.00 1.07 H new ATOM 0 HG23 THR A 70 -3.529 4.042 -4.145 1.00 1.07 H new ATOM 664 N ASP A 71 -0.602 5.542 -7.555 1.00 0.55 N ATOM 665 CA ASP A 71 0.394 6.022 -8.504 1.00 0.63 C ATOM 666 C ASP A 71 0.169 7.503 -8.759 1.00 0.70 C ATOM 667 O ASP A 71 -0.723 7.891 -9.516 1.00 0.88 O ATOM 668 CB ASP A 71 0.324 5.241 -9.817 1.00 0.76 C ATOM 669 CG ASP A 71 1.260 5.803 -10.870 1.00 0.96 C ATOM 670 OD1 ASP A 71 0.771 6.297 -11.904 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.493 5.746 -10.672 1.00 1.34 O ATOM 0 H ASP A 71 -1.244 4.845 -7.933 1.00 0.55 H new ATOM 0 HA ASP A 71 1.386 5.870 -8.080 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.575 4.197 -9.630 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.698 5.260 -10.195 1.00 0.76 H new ATOM 676 N SER A 72 0.963 8.328 -8.104 1.00 0.66 N ATOM 677 CA SER A 72 0.747 9.756 -8.120 1.00 0.77 C ATOM 678 C SER A 72 2.073 10.483 -7.983 1.00 0.76 C ATOM 679 O SER A 72 2.991 9.978 -7.327 1.00 0.71 O ATOM 680 CB SER A 72 -0.198 10.138 -6.971 1.00 0.88 C ATOM 681 OG SER A 72 -0.336 11.543 -6.851 1.00 1.56 O ATOM 0 H SER A 72 1.767 8.028 -7.552 1.00 0.66 H new ATOM 0 HA SER A 72 0.293 10.047 -9.067 1.00 0.77 H new ATOM 0 HB2 SER A 72 -1.177 9.689 -7.140 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.183 9.728 -6.035 1.00 0.88 H new ATOM 0 HG SER A 72 -1.061 11.748 -6.224 1.00 1.56 H new ATOM 687 N PRO A 73 2.194 11.668 -8.606 1.00 0.90 N ATOM 688 CA PRO A 73 3.392 12.504 -8.506 1.00 0.99 C ATOM 689 C PRO A 73 3.824 12.720 -7.058 1.00 0.96 C ATOM 690 O PRO A 73 5.009 12.899 -6.773 1.00 1.05 O ATOM 691 CB PRO A 73 2.957 13.826 -9.138 1.00 1.13 C ATOM 692 CG PRO A 73 1.879 13.452 -10.093 1.00 1.17 C ATOM 693 CD PRO A 73 1.169 12.281 -9.475 1.00 1.05 C ATOM 0 HA PRO A 73 4.252 12.047 -8.996 1.00 0.99 H new ATOM 0 HB2 PRO A 73 2.593 14.524 -8.384 1.00 1.13 H new ATOM 0 HB3 PRO A 73 3.788 14.313 -9.649 1.00 1.13 H new ATOM 0 HG2 PRO A 73 1.193 14.284 -10.253 1.00 1.17 H new ATOM 0 HG3 PRO A 73 2.293 13.188 -11.066 1.00 1.17 H new ATOM 0 HD2 PRO A 73 0.297 12.598 -8.903 1.00 1.05 H new ATOM 0 HD3 PRO A 73 0.816 11.581 -10.233 1.00 1.05 H new ATOM 701 N GLU A 74 2.861 12.702 -6.141 1.00 0.91 N ATOM 702 CA GLU A 74 3.177 12.859 -4.734 1.00 0.96 C ATOM 703 C GLU A 74 3.355 11.502 -4.050 1.00 0.93 C ATOM 704 O GLU A 74 4.439 11.199 -3.572 1.00 1.25 O ATOM 705 CB GLU A 74 2.123 13.718 -4.009 1.00 1.07 C ATOM 706 CG GLU A 74 0.703 13.166 -4.034 1.00 0.90 C ATOM 707 CD GLU A 74 -0.250 13.991 -3.197 1.00 1.59 C ATOM 708 OE1 GLU A 74 -0.244 13.847 -1.957 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.020 14.784 -3.777 1.00 1.58 O ATOM 0 H GLU A 74 1.869 12.582 -6.347 1.00 0.91 H new ATOM 0 HA GLU A 74 4.128 13.389 -4.671 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.430 13.839 -2.970 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.117 14.711 -4.458 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.346 13.136 -5.063 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.708 12.139 -3.668 1.00 0.90 H new ATOM 716 N PHE A 75 2.323 10.662 -4.056 1.00 0.80 N ATOM 717 CA PHE A 75 2.325 9.447 -3.242 1.00 0.79 C ATOM 718 C PHE A 75 3.342 8.435 -3.750 1.00 0.66 C ATOM 719 O PHE A 75 4.180 7.952 -2.987 1.00 0.66 O ATOM 720 CB PHE A 75 0.933 8.816 -3.207 1.00 0.87 C ATOM 721 CG PHE A 75 0.843 7.612 -2.308 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.823 6.331 -2.838 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.782 7.763 -0.933 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.743 5.226 -2.013 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.701 6.661 -0.103 1.00 2.61 C ATOM 726 CZ PHE A 75 0.681 5.390 -0.644 1.00 3.36 C ATOM 0 H PHE A 75 1.479 10.798 -4.612 1.00 0.80 H new ATOM 0 HA PHE A 75 2.609 9.735 -2.230 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.212 9.563 -2.874 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.648 8.527 -4.219 1.00 0.87 H new ATOM 0 HD1 PHE A 75 0.871 6.196 -3.908 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.798 8.754 -0.504 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.729 4.234 -2.439 1.00 3.20 H new ATOM 0 HE2 PHE A 75 0.653 6.793 0.968 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.617 4.527 0.002 1.00 3.36 H new ATOM 736 N TYR A 76 3.273 8.124 -5.037 1.00 0.59 N ATOM 737 CA TYR A 76 4.193 7.168 -5.637 1.00 0.50 C ATOM 738 C TYR A 76 5.611 7.715 -5.566 1.00 0.47 C ATOM 739 O TYR A 76 6.569 6.965 -5.394 1.00 0.49 O ATOM 740 CB TYR A 76 3.798 6.887 -7.089 1.00 0.51 C ATOM 741 CG TYR A 76 4.537 5.725 -7.718 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.505 5.930 -8.696 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.257 4.422 -7.337 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.170 4.864 -9.274 1.00 0.66 C ATOM 745 CE2 TYR A 76 4.917 3.353 -7.907 1.00 0.59 C ATOM 746 CZ TYR A 76 5.871 3.577 -8.875 1.00 0.65 C ATOM 747 OH TYR A 76 6.529 2.511 -9.445 1.00 0.79 O ATOM 0 H TYR A 76 2.591 8.519 -5.685 1.00 0.59 H new ATOM 0 HA TYR A 76 4.146 6.229 -5.085 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.727 6.688 -7.131 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.979 7.783 -7.683 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.741 6.937 -9.008 1.00 0.58 H new ATOM 0 HD2 TYR A 76 3.508 4.240 -6.580 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.919 5.038 -10.033 1.00 0.66 H new ATOM 0 HE2 TYR A 76 4.687 2.345 -7.596 1.00 0.59 H new ATOM 0 HH TYR A 76 6.201 1.676 -9.051 1.00 0.79 H new ATOM 757 N GLY A 77 5.724 9.034 -5.664 1.00 0.48 N ATOM 758 CA GLY A 77 7.014 9.684 -5.563 1.00 0.50 C ATOM 759 C GLY A 77 7.647 9.507 -4.197 1.00 0.52 C ATOM 760 O GLY A 77 8.871 9.448 -4.081 1.00 0.60 O ATOM 0 H GLY A 77 4.939 9.668 -5.813 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.681 9.280 -6.324 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.899 10.748 -5.772 1.00 0.50 H new ATOM 764 N LYS A 78 6.820 9.404 -3.159 1.00 0.53 N ATOM 765 CA LYS A 78 7.336 9.251 -1.796 1.00 0.60 C ATOM 766 C LYS A 78 7.693 7.797 -1.531 1.00 0.59 C ATOM 767 O LYS A 78 8.608 7.500 -0.768 1.00 0.66 O ATOM 768 CB LYS A 78 6.327 9.734 -0.747 1.00 0.69 C ATOM 769 CG LYS A 78 5.761 11.118 -1.019 1.00 0.77 C ATOM 770 CD LYS A 78 6.848 12.159 -1.243 1.00 1.17 C ATOM 771 CE LYS A 78 6.264 13.433 -1.834 1.00 1.41 C ATOM 772 NZ LYS A 78 7.297 14.477 -2.069 1.00 2.09 N ATOM 0 H LYS A 78 5.803 9.423 -3.231 1.00 0.53 H new ATOM 0 HA LYS A 78 8.229 9.870 -1.713 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.504 9.021 -0.695 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.809 9.736 0.231 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.116 11.077 -1.896 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.138 11.424 -0.179 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.342 12.385 -0.298 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.609 11.758 -1.912 1.00 1.17 H new ATOM 0 HE2 LYS A 78 5.768 13.199 -2.776 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.502 13.826 -1.161 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 6.849 15.324 -2.472 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 7.754 14.722 -1.168 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.012 14.115 -2.732 1.00 2.09 H new ATOM 786 N PHE A 79 6.965 6.895 -2.177 1.00 0.52 N ATOM 787 CA PHE A 79 7.220 5.462 -2.065 1.00 0.50 C ATOM 788 C PHE A 79 8.579 5.106 -2.665 1.00 0.51 C ATOM 789 O PHE A 79 9.259 4.184 -2.218 1.00 0.56 O ATOM 790 CB PHE A 79 6.109 4.688 -2.777 1.00 0.48 C ATOM 791 CG PHE A 79 6.362 3.213 -2.840 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.302 2.443 -1.695 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.672 2.600 -4.043 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.546 1.089 -1.744 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.915 1.245 -4.099 1.00 0.61 C ATOM 796 CZ PHE A 79 6.852 0.490 -2.946 1.00 0.65 C ATOM 0 H PHE A 79 6.185 7.133 -2.790 1.00 0.52 H new ATOM 0 HA PHE A 79 7.233 5.188 -1.010 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.165 4.866 -2.263 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.998 5.074 -3.790 1.00 0.48 H new ATOM 0 HD1 PHE A 79 6.061 2.908 -0.751 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.724 3.190 -4.946 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.498 0.498 -0.842 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.154 0.776 -5.042 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.043 -0.572 -2.986 1.00 0.65 H new ATOM 806 N LYS A 80 8.972 5.870 -3.662 1.00 0.51 N ATOM 807 CA LYS A 80 10.206 5.606 -4.396 1.00 0.58 C ATOM 808 C LYS A 80 11.422 6.177 -3.669 1.00 0.63 C ATOM 809 O LYS A 80 12.562 5.893 -4.040 1.00 0.66 O ATOM 810 CB LYS A 80 10.126 6.191 -5.811 1.00 0.64 C ATOM 811 CG LYS A 80 8.993 5.627 -6.662 1.00 0.69 C ATOM 812 CD LYS A 80 9.130 4.125 -6.898 1.00 0.72 C ATOM 813 CE LYS A 80 10.402 3.787 -7.662 1.00 0.93 C ATOM 814 NZ LYS A 80 10.445 2.359 -8.078 1.00 1.09 N ATOM 0 H LYS A 80 8.455 6.686 -3.990 1.00 0.51 H new ATOM 0 HA LYS A 80 10.323 4.524 -4.461 1.00 0.58 H new ATOM 0 HB2 LYS A 80 10.006 7.272 -5.738 1.00 0.64 H new ATOM 0 HB3 LYS A 80 11.072 6.009 -6.320 1.00 0.64 H new ATOM 0 HG2 LYS A 80 8.040 5.829 -6.173 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.973 6.142 -7.622 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.132 3.605 -5.940 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.265 3.764 -7.454 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.474 4.423 -8.544 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.268 4.008 -7.038 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.420 2.100 -8.330 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 10.119 1.759 -7.294 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 9.826 2.219 -8.902 1.00 1.09 H new ATOM 828 N GLU A 81 11.174 6.964 -2.626 1.00 0.67 N ATOM 829 CA GLU A 81 12.248 7.584 -1.849 1.00 0.78 C ATOM 830 C GLU A 81 13.184 6.542 -1.250 1.00 0.67 C ATOM 831 O GLU A 81 14.386 6.779 -1.116 1.00 0.70 O ATOM 832 CB GLU A 81 11.669 8.451 -0.731 1.00 0.94 C ATOM 833 CG GLU A 81 11.172 9.804 -1.206 1.00 1.25 C ATOM 834 CD GLU A 81 12.296 10.669 -1.738 1.00 1.57 C ATOM 835 OE1 GLU A 81 12.509 10.682 -2.970 1.00 2.07 O ATOM 836 OE2 GLU A 81 12.966 11.340 -0.931 1.00 2.04 O ATOM 0 H GLU A 81 10.235 7.189 -2.297 1.00 0.67 H new ATOM 0 HA GLU A 81 12.823 8.208 -2.534 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.845 7.916 -0.258 1.00 0.94 H new ATOM 0 HB3 GLU A 81 12.432 8.601 0.033 1.00 0.94 H new ATOM 0 HG2 GLU A 81 10.424 9.662 -1.986 1.00 1.25 H new ATOM 0 HG3 GLU A 81 10.678 10.318 -0.381 1.00 1.25 H new ATOM 843 N GLY A 82 12.634 5.397 -0.886 1.00 0.62 N ATOM 844 CA GLY A 82 13.445 4.350 -0.306 1.00 0.62 C ATOM 845 C GLY A 82 14.041 3.446 -1.355 1.00 0.62 C ATOM 846 O GLY A 82 15.176 3.003 -1.223 1.00 0.72 O ATOM 0 H GLY A 82 11.643 5.173 -0.981 1.00 0.62 H new ATOM 0 HA2 GLY A 82 14.245 4.797 0.284 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.837 3.758 0.378 1.00 0.62 H new ATOM 850 N VAL A 83 13.265 3.186 -2.398 1.00 0.58 N ATOM 851 CA VAL A 83 13.684 2.328 -3.505 1.00 0.66 C ATOM 852 C VAL A 83 14.999 2.814 -4.115 1.00 0.73 C ATOM 853 O VAL A 83 15.928 2.030 -4.318 1.00 0.85 O ATOM 854 CB VAL A 83 12.759 2.298 -4.455 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.085 1.233 -5.497 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.371 2.072 -3.877 1.00 0.65 C ATOM 0 H VAL A 83 12.323 3.564 -2.504 1.00 0.58 H new ATOM 0 HA VAL A 83 13.825 1.326 -3.099 1.00 0.66 H new ATOM 0 HB VAL A 83 12.761 3.272 -4.944 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.312 1.227 -6.266 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.050 1.454 -5.954 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.126 0.255 -5.017 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.639 2.053 -4.685 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.349 1.121 -3.345 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.129 2.880 -3.186 1.00 0.65 H new ATOM 866 N ALA A 84 15.083 4.120 -4.355 1.00 0.70 N ATOM 867 CA ALA A 84 16.271 4.725 -4.959 1.00 0.81 C ATOM 868 C ALA A 84 17.519 4.503 -4.103 1.00 0.92 C ATOM 869 O ALA A 84 18.642 4.539 -4.607 1.00 1.14 O ATOM 870 CB ALA A 84 16.048 6.213 -5.179 1.00 0.85 C ATOM 0 H ALA A 84 14.339 4.784 -4.140 1.00 0.70 H new ATOM 0 HA ALA A 84 16.436 4.237 -5.920 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.939 6.652 -5.629 1.00 0.85 H new ATOM 0 HB2 ALA A 84 15.196 6.359 -5.844 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.849 6.696 -4.223 1.00 0.85 H new ATOM 876 N SER A 85 17.319 4.281 -2.813 1.00 0.92 N ATOM 877 CA SER A 85 18.424 4.030 -1.900 1.00 1.12 C ATOM 878 C SER A 85 18.490 2.547 -1.532 1.00 1.16 C ATOM 879 O SER A 85 19.278 1.780 -2.094 1.00 1.40 O ATOM 880 CB SER A 85 18.253 4.876 -0.633 1.00 1.38 C ATOM 881 OG SER A 85 18.137 6.253 -0.949 1.00 1.82 O ATOM 0 H SER A 85 16.399 4.270 -2.373 1.00 0.92 H new ATOM 0 HA SER A 85 19.355 4.306 -2.395 1.00 1.12 H new ATOM 0 HB2 SER A 85 17.366 4.548 -0.091 1.00 1.38 H new ATOM 0 HB3 SER A 85 19.106 4.722 0.028 1.00 1.38 H new ATOM 0 HG SER A 85 18.027 6.770 -0.124 1.00 1.82 H new ATOM 887 N GLY A 86 17.655 2.159 -0.581 1.00 1.12 N ATOM 888 CA GLY A 86 17.610 0.792 -0.121 1.00 1.47 C ATOM 889 C GLY A 86 16.410 0.562 0.768 1.00 1.35 C ATOM 890 O GLY A 86 15.645 -0.385 0.580 1.00 1.65 O ATOM 0 H GLY A 86 16.997 2.782 -0.113 1.00 1.12 H new ATOM 0 HA2 GLY A 86 17.569 0.117 -0.976 1.00 1.47 H new ATOM 0 HA3 GLY A 86 18.523 0.558 0.426 1.00 1.47 H new ATOM 894 N ASN A 87 16.244 1.465 1.726 1.00 1.30 N ATOM 895 CA ASN A 87 15.201 1.363 2.735 1.00 1.28 C ATOM 896 C ASN A 87 14.323 2.609 2.753 1.00 0.81 C ATOM 897 O ASN A 87 14.775 3.700 2.414 1.00 1.19 O ATOM 898 CB ASN A 87 15.833 1.167 4.117 1.00 1.94 C ATOM 899 CG ASN A 87 17.000 2.113 4.362 1.00 2.79 C ATOM 900 OD1 ASN A 87 18.157 1.757 4.143 1.00 3.50 O ATOM 901 ND2 ASN A 87 16.714 3.329 4.796 1.00 3.16 N ATOM 0 H ASN A 87 16.833 2.292 1.824 1.00 1.30 H new ATOM 0 HA ASN A 87 14.576 0.505 2.486 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.075 1.323 4.885 1.00 1.94 H new ATOM 0 HB3 ASN A 87 16.177 0.137 4.213 1.00 1.94 H new ATOM 0 HD21 ASN A 87 17.463 4.002 4.958 1.00 3.16 H new ATOM 0 HD22 ASN A 87 15.744 3.594 4.968 1.00 3.16 H new ATOM 908 N LEU A 88 13.068 2.432 3.141 1.00 0.61 N ATOM 909 CA LEU A 88 12.145 3.537 3.314 1.00 0.75 C ATOM 910 C LEU A 88 11.223 3.255 4.486 1.00 0.56 C ATOM 911 O LEU A 88 10.440 2.308 4.447 1.00 1.00 O ATOM 912 CB LEU A 88 11.298 3.749 2.060 1.00 1.61 C ATOM 913 CG LEU A 88 10.304 4.909 2.140 1.00 2.22 C ATOM 914 CD1 LEU A 88 11.035 6.237 2.254 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.382 4.901 0.933 1.00 2.90 C ATOM 0 H LEU A 88 12.664 1.518 3.344 1.00 0.61 H new ATOM 0 HA LEU A 88 12.730 4.438 3.501 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.964 3.919 1.214 1.00 1.61 H new ATOM 0 HB3 LEU A 88 10.747 2.832 1.853 1.00 1.61 H new ATOM 0 HG LEU A 88 9.696 4.781 3.036 1.00 2.22 H new ATOM 0 HD11 LEU A 88 10.309 7.048 2.310 1.00 2.96 H new ATOM 0 HD12 LEU A 88 11.650 6.238 3.154 1.00 2.96 H new ATOM 0 HD13 LEU A 88 11.671 6.378 1.380 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.681 5.732 1.005 1.00 2.90 H new ATOM 0 HD22 LEU A 88 9.973 5.003 0.023 1.00 2.90 H new ATOM 0 HD23 LEU A 88 8.829 3.962 0.904 1.00 2.90 H new ATOM 927 N ASN A 89 11.331 4.059 5.528 1.00 0.54 N ATOM 928 CA ASN A 89 10.443 3.933 6.669 1.00 0.47 C ATOM 929 C ASN A 89 9.762 5.258 6.933 1.00 0.59 C ATOM 930 O ASN A 89 10.264 6.101 7.683 1.00 0.97 O ATOM 931 CB ASN A 89 11.179 3.471 7.928 1.00 0.50 C ATOM 932 CG ASN A 89 11.987 2.197 7.749 1.00 1.31 C ATOM 933 OD1 ASN A 89 11.644 1.321 6.959 1.00 2.24 O ATOM 934 ND2 ASN A 89 13.068 2.082 8.505 1.00 1.82 N ATOM 0 H ASN A 89 12.023 4.804 5.608 1.00 0.54 H new ATOM 0 HA ASN A 89 9.702 3.172 6.425 1.00 0.47 H new ATOM 0 HB2 ASN A 89 11.847 4.267 8.257 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.451 3.316 8.724 1.00 0.50 H new ATOM 0 HD21 ASN A 89 13.647 1.245 8.443 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.321 2.831 9.150 1.00 1.82 H new ATOM 941 N THR A 90 8.622 5.439 6.296 1.00 0.51 N ATOM 942 CA THR A 90 7.873 6.669 6.401 1.00 0.61 C ATOM 943 C THR A 90 6.446 6.410 6.858 1.00 0.53 C ATOM 944 O THR A 90 5.980 5.270 6.885 1.00 0.51 O ATOM 945 CB THR A 90 7.842 7.312 5.249 1.00 0.75 C ATOM 946 OG1 THR A 90 7.528 6.394 4.189 1.00 1.63 O ATOM 947 CG2 THR A 90 9.162 8.007 4.959 1.00 1.39 C ATOM 0 H THR A 90 8.192 4.737 5.693 1.00 0.51 H new ATOM 0 HA THR A 90 8.383 7.284 7.143 1.00 0.61 H new ATOM 0 HB THR A 90 7.070 8.079 5.313 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.504 6.875 3.336 1.00 1.63 H new ATOM 0 HG21 THR A 90 9.098 8.525 4.002 1.00 1.39 H new ATOM 0 HG22 THR A 90 9.375 8.728 5.749 1.00 1.39 H new ATOM 0 HG23 THR A 90 9.961 7.267 4.918 1.00 1.39 H new ATOM 955 N MET A 91 5.786 7.469 7.263 1.00 0.55 N ATOM 956 CA MET A 91 4.374 7.429 7.606 1.00 0.51 C ATOM 957 C MET A 91 3.698 8.658 7.005 1.00 0.57 C ATOM 958 O MET A 91 3.961 9.786 7.425 1.00 0.75 O ATOM 959 CB MET A 91 4.184 7.396 9.125 1.00 0.60 C ATOM 960 CG MET A 91 2.736 7.223 9.553 1.00 1.14 C ATOM 961 SD MET A 91 2.545 7.114 11.345 1.00 1.61 S ATOM 962 CE MET A 91 3.184 8.709 11.854 1.00 1.77 C ATOM 0 H MET A 91 6.211 8.390 7.366 1.00 0.55 H new ATOM 0 HA MET A 91 3.923 6.523 7.202 1.00 0.51 H new ATOM 0 HB2 MET A 91 4.777 6.580 9.539 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.572 8.321 9.552 1.00 0.60 H new ATOM 0 HG2 MET A 91 2.149 8.062 9.180 1.00 1.14 H new ATOM 0 HG3 MET A 91 2.331 6.321 9.093 1.00 1.14 H new ATOM 0 HE1 MET A 91 2.835 8.936 12.861 1.00 1.77 H new ATOM 0 HE2 MET A 91 4.274 8.684 11.844 1.00 1.77 H new ATOM 0 HE3 MET A 91 2.833 9.478 11.166 1.00 1.77 H new ATOM 972 N PHE A 92 2.856 8.440 6.010 1.00 0.49 N ATOM 973 CA PHE A 92 2.290 9.532 5.227 1.00 0.55 C ATOM 974 C PHE A 92 0.765 9.502 5.305 1.00 0.48 C ATOM 975 O PHE A 92 0.184 8.497 5.702 1.00 0.47 O ATOM 976 CB PHE A 92 2.759 9.394 3.771 1.00 0.72 C ATOM 977 CG PHE A 92 2.494 10.591 2.897 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.594 10.511 1.845 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.152 11.790 3.120 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.353 11.607 1.036 1.00 2.19 C ATOM 981 CE2 PHE A 92 2.914 12.887 2.313 1.00 2.86 C ATOM 982 CZ PHE A 92 2.015 12.796 1.270 1.00 3.01 C ATOM 0 H PHE A 92 2.546 7.512 5.722 1.00 0.49 H new ATOM 0 HA PHE A 92 2.629 10.487 5.627 1.00 0.55 H new ATOM 0 HB2 PHE A 92 3.830 9.192 3.769 1.00 0.72 H new ATOM 0 HB3 PHE A 92 2.270 8.526 3.329 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.076 9.583 1.655 1.00 1.25 H new ATOM 0 HD2 PHE A 92 3.858 11.868 3.933 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.647 11.533 0.222 1.00 2.19 H new ATOM 0 HE2 PHE A 92 3.432 13.816 2.499 1.00 2.86 H new ATOM 0 HZ PHE A 92 1.830 13.652 0.639 1.00 3.01 H new ATOM 992 N GLU A 93 0.125 10.600 4.938 1.00 0.48 N ATOM 993 CA GLU A 93 -1.328 10.658 4.895 1.00 0.47 C ATOM 994 C GLU A 93 -1.779 10.888 3.459 1.00 0.45 C ATOM 995 O GLU A 93 -1.344 11.842 2.814 1.00 0.53 O ATOM 996 CB GLU A 93 -1.853 11.773 5.805 1.00 0.58 C ATOM 997 CG GLU A 93 -3.373 11.818 5.901 1.00 1.30 C ATOM 998 CD GLU A 93 -3.871 12.912 6.820 1.00 1.73 C ATOM 999 OE1 GLU A 93 -3.997 12.659 8.035 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -4.143 14.030 6.330 1.00 2.04 O ATOM 0 H GLU A 93 0.590 11.466 4.665 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.734 9.713 5.255 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.438 11.640 6.804 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.492 12.733 5.435 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.791 11.968 4.906 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.738 10.855 6.258 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.632 10.013 2.953 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.065 10.099 1.567 1.00 0.51 C ATOM 1009 C TYR A 94 -4.560 9.829 1.463 1.00 0.42 C ATOM 1010 O TYR A 94 -5.151 9.223 2.357 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.278 9.102 0.705 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.410 9.337 -0.788 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.844 8.326 -1.638 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.096 10.572 -1.345 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.959 8.539 -3.001 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.210 10.793 -2.705 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.640 9.773 -3.529 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.753 9.989 -4.883 1.00 3.37 O ATOM 0 H TYR A 94 -3.037 9.238 3.478 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.870 11.107 1.200 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.224 9.154 0.979 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.618 8.092 0.935 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.095 7.359 -1.228 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.757 11.372 -0.704 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.297 7.743 -3.648 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -1.964 11.759 -3.120 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.023 9.157 -5.326 1.00 3.37 H new ATOM 1028 N THR A 95 -5.162 10.278 0.376 1.00 0.46 N ATOM 1029 CA THR A 95 -6.590 10.122 0.182 1.00 0.46 C ATOM 1030 C THR A 95 -6.891 9.002 -0.818 1.00 0.47 C ATOM 1031 O THR A 95 -6.135 8.779 -1.764 1.00 0.60 O ATOM 1032 CB THR A 95 -7.123 11.257 -0.243 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.600 12.347 0.533 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.641 11.253 -0.142 1.00 1.09 C ATOM 0 H THR A 95 -4.681 10.755 -0.387 1.00 0.46 H new ATOM 0 HA THR A 95 -7.031 9.855 1.142 1.00 0.46 H new ATOM 0 HB THR A 95 -6.861 11.372 -1.295 1.00 0.59 H new ATOM 0 HG1 THR A 95 -6.991 13.189 0.220 1.00 1.40 H new ATOM 0 HG21 THR A 95 -9.032 12.205 -0.502 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.044 10.442 -0.749 1.00 1.09 H new ATOM 0 HG23 THR A 95 -8.936 11.109 0.897 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.953 8.253 -0.555 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.411 7.218 -1.460 1.00 0.53 C ATOM 1044 C PHE A 96 -9.690 7.664 -2.144 1.00 0.62 C ATOM 1045 O PHE A 96 -10.613 8.159 -1.494 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.635 5.900 -0.718 1.00 0.69 C ATOM 1047 CG PHE A 96 -7.361 5.208 -0.320 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -6.271 5.191 -1.177 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -7.259 4.561 0.900 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -5.104 4.543 -0.823 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -6.094 3.911 1.259 1.00 1.18 C ATOM 1052 CZ PHE A 96 -5.015 3.902 0.396 1.00 1.03 C ATOM 0 H PHE A 96 -8.517 8.348 0.290 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.641 7.051 -2.213 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -9.228 6.092 0.176 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -9.219 5.232 -1.351 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.335 5.690 -2.132 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -8.099 4.565 1.578 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -4.262 4.538 -1.499 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -6.027 3.410 2.214 1.00 1.18 H new ATOM 0 HZ PHE A 96 -4.104 3.394 0.675 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.726 7.489 -3.453 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.831 7.960 -4.273 1.00 0.88 C ATOM 1064 C ASP A 97 -11.083 6.934 -5.383 1.00 0.95 C ATOM 1065 O ASP A 97 -10.842 5.743 -5.169 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.468 9.345 -4.829 1.00 1.17 C ATOM 1067 CG ASP A 97 -11.643 10.106 -5.417 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -11.900 9.965 -6.632 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -12.290 10.876 -4.679 1.00 2.57 O ATOM 0 H ASP A 97 -8.991 7.017 -3.979 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.750 8.061 -3.696 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -10.027 9.941 -4.030 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -9.704 9.227 -5.598 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.572 7.378 -6.542 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.821 6.499 -7.685 1.00 1.30 C ATOM 1076 C TYR A 98 -12.942 5.504 -7.382 1.00 1.26 C ATOM 1077 O TYR A 98 -14.094 5.733 -7.739 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.533 5.767 -8.094 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.706 4.779 -9.227 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.554 3.413 -9.013 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.018 5.212 -10.508 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.709 2.510 -10.047 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.175 4.315 -11.545 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.019 2.966 -11.310 1.00 2.67 C ATOM 1085 OH TYR A 98 -11.167 2.069 -12.345 1.00 3.21 O ATOM 0 H TYR A 98 -11.806 8.356 -6.714 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.144 7.117 -8.523 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.786 6.506 -8.384 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -10.138 5.239 -7.226 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.311 3.053 -8.024 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.140 6.268 -10.697 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.588 1.452 -9.866 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.419 4.668 -12.536 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.386 2.553 -13.169 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.603 4.411 -6.712 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.590 3.409 -6.342 1.00 1.70 C ATOM 1097 C GLN A 99 -13.998 3.599 -4.890 1.00 1.80 C ATOM 1098 O GLN A 99 -15.082 3.193 -4.473 1.00 2.28 O ATOM 1099 CB GLN A 99 -13.043 1.997 -6.570 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.744 1.707 -5.839 1.00 2.28 C ATOM 1101 CD GLN A 99 -11.234 0.303 -6.089 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -12.009 -0.631 -6.292 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.922 0.150 -6.092 1.00 2.81 N ATOM 0 H GLN A 99 -11.651 4.197 -6.414 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.469 3.533 -6.974 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.794 1.273 -6.254 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.887 1.848 -7.638 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.987 2.426 -6.153 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.894 1.849 -4.769 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -9.315 0.951 -5.919 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -9.516 -0.769 -6.267 1.00 2.81 H new ATOM 1112 N MET A 100 -13.109 4.216 -4.128 1.00 1.50 N ATOM 1113 CA MET A 100 -13.406 4.605 -2.763 1.00 1.55 C ATOM 1114 C MET A 100 -13.946 6.021 -2.760 1.00 1.40 C ATOM 1115 O MET A 100 -13.505 6.856 -3.546 1.00 1.30 O ATOM 1116 CB MET A 100 -12.146 4.527 -1.889 1.00 1.54 C ATOM 1117 CG MET A 100 -12.396 4.854 -0.424 1.00 1.64 C ATOM 1118 SD MET A 100 -13.630 3.779 0.339 1.00 2.37 S ATOM 1119 CE MET A 100 -12.803 2.192 0.261 1.00 2.85 C ATOM 0 H MET A 100 -12.168 4.459 -4.438 1.00 1.50 H new ATOM 0 HA MET A 100 -14.149 3.922 -2.352 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.726 3.524 -1.962 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.398 5.215 -2.283 1.00 1.54 H new ATOM 0 HG2 MET A 100 -11.459 4.770 0.126 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.723 5.890 -0.340 1.00 1.64 H new ATOM 0 HE1 MET A 100 -13.329 1.476 0.892 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.799 1.834 -0.768 1.00 2.85 H new ATOM 0 HE3 MET A 100 -11.777 2.299 0.612 1.00 2.85 H new ATOM 1129 N THR A 101 -14.921 6.291 -1.921 1.00 1.46 N ATOM 1130 CA THR A 101 -15.346 7.650 -1.722 1.00 1.40 C ATOM 1131 C THR A 101 -14.281 8.383 -0.926 1.00 1.14 C ATOM 1132 O THR A 101 -13.616 7.767 -0.094 1.00 1.13 O ATOM 1133 CB THR A 101 -16.513 7.707 -1.121 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.648 6.597 -0.216 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.644 7.696 -2.134 1.00 2.05 C ATOM 0 H THR A 101 -15.426 5.594 -1.374 1.00 1.46 H new ATOM 0 HA THR A 101 -15.471 8.132 -2.692 1.00 1.40 H new ATOM 0 HB THR A 101 -16.569 8.639 -0.559 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.519 6.644 0.232 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.600 7.744 -1.613 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.548 8.557 -2.796 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.597 6.779 -2.722 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.048 9.669 -1.240 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.953 10.464 -0.668 1.00 1.00 C ATOM 1145 C PRO A 102 -12.721 10.228 0.823 1.00 0.92 C ATOM 1146 O PRO A 102 -13.334 10.877 1.674 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.404 11.897 -0.918 1.00 1.32 C ATOM 1148 CG PRO A 102 -14.227 11.830 -2.159 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.838 10.452 -2.208 1.00 1.44 C ATOM 0 HA PRO A 102 -11.998 10.201 -1.122 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.985 12.280 -0.079 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.551 12.563 -1.046 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -15.003 12.596 -2.149 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.612 12.011 -3.040 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.893 10.475 -1.935 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.777 10.025 -3.209 1.00 1.44 H new ATOM 1157 N THR A 103 -11.853 9.273 1.129 1.00 0.73 N ATOM 1158 CA THR A 103 -11.461 9.011 2.506 1.00 0.70 C ATOM 1159 C THR A 103 -9.949 9.124 2.646 1.00 0.58 C ATOM 1160 O THR A 103 -9.223 8.809 1.710 1.00 0.54 O ATOM 1161 CB THR A 103 -11.847 7.806 2.904 1.00 0.81 C ATOM 1162 OG1 THR A 103 -13.214 7.583 2.522 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.711 7.639 4.411 1.00 1.40 C ATOM 0 H THR A 103 -11.407 8.667 0.441 1.00 0.73 H new ATOM 0 HA THR A 103 -11.952 9.754 3.135 1.00 0.70 H new ATOM 0 HB THR A 103 -11.198 7.075 2.422 1.00 0.81 H new ATOM 0 HG1 THR A 103 -13.254 7.349 1.571 1.00 1.34 H new ATOM 0 HG21 THR A 103 -12.037 6.639 4.697 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.669 7.777 4.700 1.00 1.40 H new ATOM 0 HG23 THR A 103 -12.329 8.381 4.917 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.474 9.622 3.779 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.041 9.750 3.993 1.00 0.59 C ATOM 1173 C LYS A 104 -7.555 8.666 4.941 1.00 0.58 C ATOM 1174 O LYS A 104 -8.258 8.284 5.881 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.684 11.135 4.555 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.162 11.362 5.984 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.610 12.652 6.565 1.00 1.90 C ATOM 1178 CE LYS A 104 -8.274 13.876 5.963 1.00 2.46 C ATOM 1179 NZ LYS A 104 -9.701 13.994 6.369 1.00 3.08 N ATOM 0 H LYS A 104 -10.053 9.941 4.556 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.545 9.636 3.029 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -6.602 11.263 4.519 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.117 11.900 3.911 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -9.251 11.392 6.002 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -7.856 10.522 6.608 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -7.756 12.655 7.645 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -6.535 12.699 6.388 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -7.734 14.771 6.273 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -8.210 13.825 4.876 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -10.049 14.947 6.140 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -10.267 13.287 5.858 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -9.785 13.831 7.393 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.367 8.156 4.678 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.755 7.161 5.539 1.00 0.47 C ATOM 1195 C VAL A 105 -4.342 7.576 5.911 1.00 0.40 C ATOM 1196 O VAL A 105 -3.768 8.486 5.305 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.706 5.956 4.980 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.106 5.378 4.792 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.948 5.991 3.658 1.00 0.94 C ATOM 0 H VAL A 105 -5.803 8.416 3.869 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.385 7.101 6.427 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.162 5.300 5.659 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.034 4.392 4.333 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.597 5.292 5.761 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.688 6.037 4.148 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.925 4.991 3.225 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.448 6.673 2.970 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -3.928 6.334 3.832 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.803 6.931 6.925 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.419 7.123 7.294 1.00 0.42 C ATOM 1211 C LYS A 106 -1.652 5.867 6.921 1.00 0.40 C ATOM 1212 O LYS A 106 -1.935 4.781 7.435 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.299 7.407 8.791 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.929 7.913 9.215 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.896 8.245 10.699 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.070 7.001 11.553 1.00 1.56 C ATOM 1217 NZ LYS A 106 -1.180 7.332 12.999 1.00 1.69 N ATOM 0 H LYS A 106 -4.308 6.265 7.511 1.00 0.43 H new ATOM 0 HA LYS A 106 -2.005 7.981 6.764 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -3.051 8.145 9.072 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.525 6.495 9.343 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -0.175 7.158 8.993 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.672 8.800 8.636 1.00 0.71 H new ATOM 0 HD2 LYS A 106 0.051 8.726 10.944 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -1.686 8.960 10.930 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.963 6.464 11.234 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -0.224 6.332 11.397 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -1.298 6.456 13.548 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.317 7.822 13.310 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -2.003 7.950 13.152 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.692 6.007 6.024 1.00 0.37 N ATOM 1232 CA VAL A 107 -0.015 4.864 5.477 1.00 0.42 C ATOM 1233 C VAL A 107 1.368 4.745 6.095 1.00 0.40 C ATOM 1234 O VAL A 107 2.076 5.736 6.280 1.00 0.54 O ATOM 1235 CB VAL A 107 0.041 4.917 4.144 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.824 6.132 3.653 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.601 3.637 3.551 1.00 1.27 C ATOM 0 H VAL A 107 -0.370 6.905 5.664 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.584 3.968 5.726 1.00 0.42 H new ATOM 0 HB VAL A 107 -0.986 5.024 3.794 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.844 6.136 2.563 1.00 1.26 H new ATOM 0 HG12 VAL A 107 0.344 7.043 4.010 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.844 6.086 4.035 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.630 3.721 2.465 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.610 3.472 3.929 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -0.034 2.797 3.833 1.00 1.27 H new ATOM 1247 N HIS A 108 1.702 3.546 6.508 1.00 0.34 N ATOM 1248 CA HIS A 108 2.963 3.299 7.166 1.00 0.34 C ATOM 1249 C HIS A 108 3.842 2.462 6.251 1.00 0.32 C ATOM 1250 O HIS A 108 3.563 1.291 6.015 1.00 0.44 O ATOM 1251 CB HIS A 108 2.708 2.581 8.496 1.00 0.45 C ATOM 1252 CG HIS A 108 3.779 2.776 9.526 1.00 0.53 C ATOM 1253 ND1 HIS A 108 3.742 2.174 10.767 1.00 0.97 N ATOM 1254 CD2 HIS A 108 4.908 3.523 9.509 1.00 0.54 C ATOM 1255 CE1 HIS A 108 4.798 2.542 11.464 1.00 1.02 C ATOM 1256 NE2 HIS A 108 5.522 3.361 10.727 1.00 0.68 N ATOM 0 H HIS A 108 1.113 2.720 6.399 1.00 0.34 H new ATOM 0 HA HIS A 108 3.474 4.238 7.377 1.00 0.34 H new ATOM 0 HB2 HIS A 108 1.760 2.930 8.906 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.598 1.514 8.303 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.260 4.133 8.690 1.00 0.54 H new ATOM 0 HE1 HIS A 108 5.031 2.226 12.470 1.00 1.02 H new ATOM 0 HE2 HIS A 108 6.396 3.802 11.014 1.00 0.68 H new ATOM 1265 N MET A 109 4.886 3.080 5.731 1.00 0.30 N ATOM 1266 CA MET A 109 5.794 2.417 4.795 1.00 0.39 C ATOM 1267 C MET A 109 7.066 2.010 5.532 1.00 0.34 C ATOM 1268 O MET A 109 7.710 2.850 6.159 1.00 0.45 O ATOM 1269 CB MET A 109 6.128 3.370 3.637 1.00 0.65 C ATOM 1270 CG MET A 109 6.771 2.704 2.423 1.00 0.87 C ATOM 1271 SD MET A 109 5.708 1.444 1.689 1.00 2.22 S ATOM 1272 CE MET A 109 4.317 2.445 1.162 1.00 2.49 C ATOM 0 H MET A 109 5.133 4.048 5.939 1.00 0.30 H new ATOM 0 HA MET A 109 5.318 1.525 4.387 1.00 0.39 H new ATOM 0 HB2 MET A 109 5.212 3.866 3.318 1.00 0.65 H new ATOM 0 HB3 MET A 109 6.799 4.146 4.006 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.001 3.463 1.675 1.00 0.87 H new ATOM 0 HG3 MET A 109 7.717 2.251 2.719 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.753 1.910 0.398 1.00 2.49 H new ATOM 0 HE2 MET A 109 3.670 2.647 2.016 1.00 2.49 H new ATOM 0 HE3 MET A 109 4.681 3.387 0.752 1.00 2.49 H new ATOM 1282 N LYS A 110 7.412 0.724 5.493 1.00 0.32 N ATOM 1283 CA LYS A 110 8.551 0.218 6.259 1.00 0.35 C ATOM 1284 C LYS A 110 9.307 -0.831 5.462 1.00 0.32 C ATOM 1285 O LYS A 110 8.700 -1.701 4.859 1.00 0.45 O ATOM 1286 CB LYS A 110 8.088 -0.397 7.587 1.00 0.50 C ATOM 1287 CG LYS A 110 7.342 0.570 8.493 1.00 0.97 C ATOM 1288 CD LYS A 110 6.975 -0.056 9.833 1.00 0.91 C ATOM 1289 CE LYS A 110 8.158 -0.110 10.794 1.00 1.31 C ATOM 1290 NZ LYS A 110 9.170 -1.134 10.417 1.00 1.57 N ATOM 0 H LYS A 110 6.924 0.017 4.943 1.00 0.32 H new ATOM 0 HA LYS A 110 9.210 1.061 6.466 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.443 -1.250 7.375 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.958 -0.780 8.120 1.00 0.50 H new ATOM 0 HG2 LYS A 110 7.958 1.453 8.664 1.00 0.97 H new ATOM 0 HG3 LYS A 110 6.435 0.907 7.992 1.00 0.97 H new ATOM 0 HD2 LYS A 110 6.166 0.516 10.288 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.598 -1.065 9.668 1.00 0.91 H new ATOM 0 HE2 LYS A 110 8.636 0.869 10.828 1.00 1.31 H new ATOM 0 HE3 LYS A 110 7.793 -0.322 11.799 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.555 -1.574 11.277 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 8.722 -1.863 9.826 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 9.940 -0.681 9.885 1.00 1.57 H new ATOM 1304 N LYS A 111 10.625 -0.764 5.472 1.00 0.37 N ATOM 1305 CA LYS A 111 11.432 -1.704 4.709 1.00 0.38 C ATOM 1306 C LYS A 111 11.718 -2.957 5.524 1.00 0.43 C ATOM 1307 O LYS A 111 11.839 -2.907 6.752 1.00 0.60 O ATOM 1308 CB LYS A 111 12.747 -1.048 4.285 1.00 0.49 C ATOM 1309 CG LYS A 111 13.232 -1.456 2.900 1.00 0.56 C ATOM 1310 CD LYS A 111 13.861 -2.837 2.886 1.00 1.03 C ATOM 1311 CE LYS A 111 14.172 -3.289 1.467 1.00 1.49 C ATOM 1312 NZ LYS A 111 14.890 -4.592 1.439 1.00 2.13 N ATOM 0 H LYS A 111 11.160 -0.072 5.997 1.00 0.37 H new ATOM 0 HA LYS A 111 10.871 -1.990 3.819 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.624 0.035 4.310 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.517 -1.298 5.015 1.00 0.49 H new ATOM 0 HG2 LYS A 111 12.393 -1.436 2.205 1.00 0.56 H new ATOM 0 HG3 LYS A 111 13.959 -0.726 2.544 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.778 -2.827 3.476 1.00 1.03 H new ATOM 0 HD3 LYS A 111 13.186 -3.551 3.358 1.00 1.03 H new ATOM 0 HE2 LYS A 111 13.243 -3.375 0.903 1.00 1.49 H new ATOM 0 HE3 LYS A 111 14.778 -2.531 0.970 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 14.873 -4.977 0.473 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 15.876 -4.452 1.739 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 14.423 -5.260 2.086 1.00 2.13 H new ATOM 1326 N ALA A 112 11.824 -4.073 4.832 1.00 0.44 N ATOM 1327 CA ALA A 112 12.158 -5.339 5.457 1.00 0.59 C ATOM 1328 C ALA A 112 12.983 -6.187 4.501 1.00 0.92 C ATOM 1329 O ALA A 112 12.990 -5.945 3.290 1.00 1.57 O ATOM 1330 CB ALA A 112 10.894 -6.078 5.866 1.00 0.96 C ATOM 0 H ALA A 112 11.682 -4.129 3.824 1.00 0.44 H new ATOM 0 HA ALA A 112 12.747 -5.145 6.353 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.162 -7.026 6.333 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.330 -5.471 6.574 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.282 -6.268 4.984 1.00 0.96 H new ATOM 1336 N LEU A 113 13.687 -7.163 5.035 1.00 1.01 N ATOM 1337 CA LEU A 113 14.468 -8.061 4.205 1.00 1.49 C ATOM 1338 C LEU A 113 13.762 -9.396 4.057 1.00 1.26 C ATOM 1339 O LEU A 113 14.265 -10.303 3.398 1.00 2.05 O ATOM 1340 CB LEU A 113 15.861 -8.277 4.780 1.00 2.52 C ATOM 1341 CG LEU A 113 16.732 -7.023 4.883 1.00 3.38 C ATOM 1342 CD1 LEU A 113 18.052 -7.344 5.562 1.00 3.91 C ATOM 1343 CD2 LEU A 113 16.973 -6.438 3.502 1.00 4.41 C ATOM 0 H LEU A 113 13.736 -7.356 6.035 1.00 1.01 H new ATOM 0 HA LEU A 113 14.570 -7.597 3.224 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.761 -8.712 5.775 1.00 2.52 H new ATOM 0 HB3 LEU A 113 16.381 -9.010 4.162 1.00 2.52 H new ATOM 0 HG LEU A 113 16.207 -6.284 5.489 1.00 3.38 H new ATOM 0 HD11 LEU A 113 18.658 -6.440 5.626 1.00 3.91 H new ATOM 0 HD12 LEU A 113 17.862 -7.725 6.565 1.00 3.91 H new ATOM 0 HD13 LEU A 113 18.585 -8.098 4.983 1.00 3.91 H new ATOM 0 HD21 LEU A 113 17.594 -5.546 3.588 1.00 4.41 H new ATOM 0 HD22 LEU A 113 17.480 -7.174 2.878 1.00 4.41 H new ATOM 0 HD23 LEU A 113 16.018 -6.173 3.047 1.00 4.41 H new ATOM 1355 N SER A 114 12.605 -9.515 4.696 1.00 1.21 N ATOM 1356 CA SER A 114 11.748 -10.672 4.512 1.00 1.56 C ATOM 1357 C SER A 114 11.322 -10.731 3.049 1.00 1.72 C ATOM 1358 O SER A 114 10.511 -9.921 2.592 1.00 2.36 O ATOM 1359 CB SER A 114 10.542 -10.566 5.444 1.00 2.13 C ATOM 1360 OG SER A 114 10.970 -10.342 6.780 1.00 2.55 O ATOM 0 H SER A 114 12.240 -8.820 5.348 1.00 1.21 H new ATOM 0 HA SER A 114 12.279 -11.591 4.759 1.00 1.56 H new ATOM 0 HB2 SER A 114 9.894 -9.751 5.121 1.00 2.13 H new ATOM 0 HB3 SER A 114 9.952 -11.481 5.392 1.00 2.13 H new ATOM 0 HG SER A 114 10.188 -10.274 7.367 1.00 2.55 H new ATOM 1366 N GLY A 115 11.897 -11.672 2.318 1.00 1.73 N ATOM 1367 CA GLY A 115 11.843 -11.618 0.877 1.00 2.05 C ATOM 1368 C GLY A 115 12.723 -10.493 0.380 1.00 1.87 C ATOM 1369 O GLY A 115 13.947 -10.615 0.365 1.00 2.62 O ATOM 0 H GLY A 115 12.401 -12.473 2.699 1.00 1.73 H new ATOM 0 HA2 GLY A 115 12.174 -12.567 0.454 1.00 2.05 H new ATOM 0 HA3 GLY A 115 10.816 -11.463 0.547 1.00 2.05 H new ATOM 1373 N ASP A 116 12.092 -9.399 -0.008 1.00 1.38 N ATOM 1374 CA ASP A 116 12.776 -8.136 -0.263 1.00 1.29 C ATOM 1375 C ASP A 116 11.752 -7.101 -0.664 1.00 1.01 C ATOM 1376 O ASP A 116 11.491 -6.883 -1.850 1.00 1.32 O ATOM 1377 CB ASP A 116 13.855 -8.241 -1.340 1.00 1.58 C ATOM 1378 CG ASP A 116 14.609 -6.935 -1.503 1.00 2.09 C ATOM 1379 OD1 ASP A 116 14.657 -6.402 -2.629 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.153 -6.428 -0.498 1.00 2.42 O ATOM 0 H ASP A 116 11.084 -9.358 -0.157 1.00 1.38 H new ATOM 0 HA ASP A 116 13.286 -7.848 0.657 1.00 1.29 H new ATOM 0 HB2 ASP A 116 14.554 -9.036 -1.079 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.397 -8.518 -2.289 1.00 1.58 H new ATOM 1385 N SER A 117 11.148 -6.486 0.333 1.00 0.60 N ATOM 1386 CA SER A 117 10.026 -5.599 0.101 1.00 0.36 C ATOM 1387 C SER A 117 9.724 -4.755 1.336 1.00 0.34 C ATOM 1388 O SER A 117 10.483 -4.768 2.310 1.00 0.54 O ATOM 1389 CB SER A 117 8.803 -6.428 -0.310 1.00 0.35 C ATOM 1390 OG SER A 117 8.754 -7.642 0.422 1.00 1.07 O ATOM 0 H SER A 117 11.416 -6.584 1.312 1.00 0.60 H new ATOM 0 HA SER A 117 10.280 -4.910 -0.705 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.893 -5.855 -0.135 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.844 -6.642 -1.378 1.00 0.35 H new ATOM 0 HG SER A 117 8.788 -8.400 -0.199 1.00 1.07 H new ATOM 1396 N TYR A 118 8.620 -4.025 1.289 1.00 0.22 N ATOM 1397 CA TYR A 118 8.213 -3.161 2.364 1.00 0.24 C ATOM 1398 C TYR A 118 6.973 -3.724 3.022 1.00 0.24 C ATOM 1399 O TYR A 118 6.206 -4.461 2.398 1.00 0.26 O ATOM 1400 CB TYR A 118 7.885 -1.761 1.834 1.00 0.30 C ATOM 1401 CG TYR A 118 9.002 -1.116 1.057 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.046 -1.211 -0.324 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.009 -0.416 1.705 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.062 -0.621 -1.046 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.032 0.177 0.991 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.068 0.071 -0.364 1.00 0.67 C ATOM 1407 OH TYR A 118 12.061 0.665 -1.106 1.00 0.86 O ATOM 0 H TYR A 118 7.982 -4.022 0.493 1.00 0.22 H new ATOM 0 HA TYR A 118 9.031 -3.096 3.081 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.003 -1.824 1.196 1.00 0.30 H new ATOM 0 HB3 TYR A 118 7.625 -1.118 2.675 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.272 -1.756 -0.844 1.00 0.42 H new ATOM 0 HD2 TYR A 118 9.993 -0.334 2.782 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.081 -0.692 -2.123 1.00 0.55 H new ATOM 0 HE2 TYR A 118 11.804 0.726 1.510 1.00 0.72 H new ATOM 0 HH TYR A 118 12.694 1.113 -0.507 1.00 0.86 H new ATOM 1417 N TRP A 119 6.774 -3.371 4.264 1.00 0.27 N ATOM 1418 CA TRP A 119 5.532 -3.650 4.931 1.00 0.30 C ATOM 1419 C TRP A 119 4.736 -2.371 5.004 1.00 0.33 C ATOM 1420 O TRP A 119 5.090 -1.450 5.743 1.00 0.38 O ATOM 1421 CB TRP A 119 5.761 -4.210 6.331 1.00 0.36 C ATOM 1422 CG TRP A 119 6.156 -5.654 6.339 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.416 -6.157 6.440 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.279 -6.780 6.235 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.377 -7.529 6.418 1.00 0.52 N ATOM 1426 CE2 TRP A 119 6.077 -7.935 6.289 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.896 -6.922 6.102 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.539 -9.218 6.221 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.362 -8.195 6.034 1.00 0.63 C ATOM 1430 CH2 TRP A 119 4.181 -9.328 6.090 1.00 0.62 C ATOM 0 H TRP A 119 7.463 -2.885 4.838 1.00 0.27 H new ATOM 0 HA TRP A 119 4.986 -4.407 4.368 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.538 -3.626 6.825 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.850 -4.087 6.916 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.315 -5.564 6.525 1.00 0.48 H new ATOM 0 HE1 TRP A 119 8.186 -8.146 6.487 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.256 -6.054 6.053 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 6.170 -10.093 6.270 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.293 -8.317 5.936 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.733 -10.309 6.029 1.00 0.62 H new ATOM 1441 N VAL A 120 3.687 -2.298 4.211 1.00 0.33 N ATOM 1442 CA VAL A 120 2.849 -1.125 4.207 1.00 0.37 C ATOM 1443 C VAL A 120 1.584 -1.372 5.029 1.00 0.40 C ATOM 1444 O VAL A 120 0.958 -2.429 4.951 1.00 0.55 O ATOM 1445 CB VAL A 120 2.552 -0.734 2.966 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.758 -1.793 2.211 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.818 0.594 2.961 1.00 0.91 C ATOM 0 H VAL A 120 3.399 -3.034 3.566 1.00 0.33 H new ATOM 0 HA VAL A 120 3.408 -0.312 4.671 1.00 0.37 H new ATOM 0 HB VAL A 120 3.499 -0.598 2.444 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.537 -1.434 1.206 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.343 -2.711 2.149 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.825 -1.993 2.738 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.592 0.881 1.934 1.00 0.91 H new ATOM 0 HG22 VAL A 120 0.889 0.499 3.523 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.444 1.358 3.422 1.00 0.91 H new ATOM 1457 N PHE A 121 1.280 -0.429 5.898 1.00 0.39 N ATOM 1458 CA PHE A 121 0.135 -0.543 6.778 1.00 0.41 C ATOM 1459 C PHE A 121 -0.878 0.536 6.447 1.00 0.41 C ATOM 1460 O PHE A 121 -0.526 1.713 6.356 1.00 0.49 O ATOM 1461 CB PHE A 121 0.572 -0.419 8.241 1.00 0.48 C ATOM 1462 CG PHE A 121 1.607 -1.428 8.654 1.00 0.53 C ATOM 1463 CD1 PHE A 121 2.957 -1.118 8.602 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.231 -2.688 9.090 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.910 -2.044 8.978 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.180 -3.619 9.469 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.522 -3.292 9.420 1.00 0.73 C ATOM 0 H PHE A 121 1.815 0.432 6.014 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.323 -1.521 6.633 1.00 0.41 H new ATOM 0 HB2 PHE A 121 0.968 0.583 8.408 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.303 -0.527 8.882 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.267 -0.141 8.263 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.183 -2.946 9.134 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.959 -1.791 8.926 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.874 -4.599 9.803 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.266 -4.012 9.727 1.00 0.73 H new ATOM 1477 N VAL A 122 -2.124 0.136 6.253 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.183 1.084 5.952 1.00 0.51 C ATOM 1479 C VAL A 122 -4.048 1.295 7.189 1.00 0.54 C ATOM 1480 O VAL A 122 -4.899 0.463 7.525 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.941 0.656 4.951 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -4.964 1.719 4.556 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.098 0.258 3.748 1.00 1.16 C ATOM 0 H VAL A 122 -2.426 -0.837 6.299 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.722 2.026 5.655 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.474 -0.230 5.296 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.575 1.348 3.733 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.603 1.944 5.410 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.445 2.625 4.242 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -3.750 -0.088 2.946 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.525 1.119 3.404 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.415 -0.543 4.031 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.837 2.419 7.854 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.605 2.760 9.041 1.00 0.66 C ATOM 1495 C LYS A 123 -5.490 3.961 8.751 1.00 0.55 C ATOM 1496 O LYS A 123 -4.996 5.072 8.567 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.671 3.075 10.215 1.00 0.93 C ATOM 1498 CG LYS A 123 -4.401 3.356 11.524 1.00 1.36 C ATOM 1499 CD LYS A 123 -5.052 2.097 12.071 1.00 1.80 C ATOM 1500 CE LYS A 123 -5.904 2.393 13.296 1.00 2.62 C ATOM 1501 NZ LYS A 123 -7.145 3.140 12.951 1.00 3.31 N ATOM 0 H LYS A 123 -3.138 3.113 7.591 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.227 1.907 9.311 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.991 2.236 10.362 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.059 3.940 9.958 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -3.699 3.753 12.257 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -5.161 4.121 11.363 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -5.671 1.642 11.298 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -4.281 1.371 12.330 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -6.170 1.457 13.786 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -5.320 2.972 14.011 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -7.718 3.275 13.808 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -6.893 4.067 12.553 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -7.692 2.600 12.250 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.791 3.739 8.691 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.715 4.830 8.429 1.00 0.76 C ATOM 1517 C ARG A 124 -7.866 5.711 9.666 1.00 0.85 C ATOM 1518 O ARG A 124 -7.453 5.333 10.767 1.00 0.96 O ATOM 1519 CB ARG A 124 -9.088 4.306 7.997 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.872 3.626 9.110 1.00 1.58 C ATOM 1521 CD ARG A 124 -11.367 3.843 8.933 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.701 5.270 8.948 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.768 5.804 8.350 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -13.655 5.036 7.731 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -12.945 7.119 8.386 1.00 4.03 N ATOM 0 H ARG A 124 -7.228 2.826 8.818 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.301 5.423 7.613 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.676 5.137 7.608 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.954 3.600 7.178 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.654 2.558 9.114 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.555 4.020 10.076 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.692 3.401 7.991 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.908 3.332 9.729 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.074 5.899 9.450 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.526 4.024 7.708 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -14.466 5.457 7.278 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -12.269 7.712 8.868 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -13.757 7.537 7.932 1.00 4.03 H new ATOM 1539 N VAL A 125 -8.455 6.880 9.476 1.00 1.06 N ATOM 1540 CA VAL A 125 -8.712 7.796 10.570 1.00 1.33 C ATOM 1541 C VAL A 125 -10.207 8.111 10.642 1.00 2.00 C ATOM 1542 O VAL A 125 -10.830 8.322 9.576 1.00 2.87 O ATOM 1543 CB VAL A 125 -7.980 8.908 10.458 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -8.235 9.621 9.132 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -8.202 9.845 11.637 1.00 2.08 C ATOM 1546 OXT VAL A 125 -10.764 8.108 11.757 1.00 2.26 O ATOM 0 H VAL A 125 -8.766 7.217 8.565 1.00 1.06 H new ATOM 0 HA VAL A 125 -8.415 7.317 11.503 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.933 8.604 10.470 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -7.622 10.520 9.079 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -7.978 8.957 8.307 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -9.288 9.895 9.063 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -7.591 10.739 11.512 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -9.253 10.128 11.684 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -7.921 9.340 12.561 1.00 2.08 H new