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 87 ASN : amide:sc= 0.0378 X(o=-0.1,f=0.32) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.137 X(o=-0.1,f=0.32) USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0.762 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -120:sc= 0.868 (180deg=-0.0783) USER MOD Set 3.1: A 72 SER OG : rot 180:sc= -0.236 USER MOD Set 3.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 41 GLN : amide:sc= 0.337 K(o=0.89,f=-4.5!) USER MOD Set 4.2: A 55 LYS NZ :NH3+ -126:sc= 0.555 (180deg=-0.0769) USER MOD Set 5.1: A 32 GLN : amide:sc= -0.339! X(o=1.1!,f=0.67) USER MOD Set 5.2: A 114 SER OG : rot 170:sc= 0 USER MOD Set 5.3: A 117 SER OG : rot -72:sc= 1.46 USER MOD Single : A 38 ASN : amide:sc= -1.53! C(o=-1.5!,f=-2.9!) USER MOD Single : A 42 TYR OH : rot 59:sc= 0.146 USER MOD Single : A 43 ASN : amide:sc= -0.459! C(o=-0.46!,f=-10!) USER MOD Single : A 50 THR OG1 : rot 113:sc= 0.259 USER MOD Single : A 56 GLN : amide:sc= -0.703 K(o=-0.7,f=-6.4!) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.1) USER MOD Single : A 61 ASN : amide:sc= -0.0672 K(o=-0.067,f=-3.9!) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0.719 (180deg=0.645) USER MOD Single : A 69 CYS SG : rot 143:sc= 0.0367 USER MOD Single : A 70 THR OG1 : rot 119:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.15) USER MOD Single : A 85 SER OG : rot -86:sc= 0.709 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.563 K(o=0.56,f=0) USER MOD Single : A 100 MET CE :methyl 144:sc= -0.69 (180deg=-3.5!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 103 THR OG1 : rot -2:sc= 0.783 USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 106 LYS NZ :NH3+ -142:sc= 1.2 (180deg=0.0776) USER MOD Single : A 108 HIS :FLIP no HE2:sc= 0.0909 F(o=-0.58,f=0.091) USER MOD Single : A 109 MET CE :methyl -122:sc= -2.46 (180deg=-6.23!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.15) USER MOD Single : A 118 TYR OH : rot -136:sc= -1.52! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -6.093 -2.488 11.282 1.00 1.27 N ATOM 31 CA PHE A 28 -5.225 -1.852 10.302 1.00 1.21 C ATOM 32 C PHE A 28 -5.027 -2.771 9.107 1.00 0.94 C ATOM 33 O PHE A 28 -5.158 -3.991 9.227 1.00 0.94 O ATOM 34 CB PHE A 28 -3.868 -1.495 10.933 1.00 1.52 C ATOM 35 CG PHE A 28 -3.061 -2.686 11.384 1.00 1.96 C ATOM 36 CD1 PHE A 28 -2.045 -3.192 10.586 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.316 -3.299 12.603 1.00 2.12 C ATOM 38 CE1 PHE A 28 -1.301 -4.283 10.994 1.00 3.75 C ATOM 39 CE2 PHE A 28 -2.574 -4.390 13.016 1.00 2.99 C ATOM 40 CZ PHE A 28 -1.565 -4.882 12.211 1.00 3.85 C ATOM 0 HA PHE A 28 -5.698 -0.930 9.963 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.283 -0.927 10.210 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -4.039 -0.842 11.789 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -1.833 -2.728 9.634 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.104 -2.919 13.237 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -0.514 -4.667 10.362 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -2.783 -4.857 13.967 1.00 2.99 H new ATOM 0 HZ PHE A 28 -0.983 -5.733 12.532 1.00 3.85 H new ATOM 50 N GLY A 29 -4.706 -2.193 7.964 1.00 0.85 N ATOM 51 CA GLY A 29 -4.482 -2.987 6.776 1.00 0.73 C ATOM 52 C GLY A 29 -3.009 -3.134 6.483 1.00 0.63 C ATOM 53 O GLY A 29 -2.314 -2.145 6.260 1.00 0.69 O ATOM 0 H GLY A 29 -4.596 -1.187 7.836 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.929 -3.973 6.905 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.979 -2.521 5.925 1.00 0.73 H new ATOM 57 N ALA A 30 -2.533 -4.366 6.495 1.00 0.66 N ATOM 58 CA ALA A 30 -1.120 -4.640 6.316 1.00 0.59 C ATOM 59 C ALA A 30 -0.857 -5.184 4.925 1.00 0.56 C ATOM 60 O ALA A 30 -1.208 -6.323 4.615 1.00 0.65 O ATOM 61 CB ALA A 30 -0.630 -5.623 7.371 1.00 0.71 C ATOM 0 H ALA A 30 -3.109 -5.197 6.628 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.571 -3.706 6.432 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.432 -5.817 7.222 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.786 -5.199 8.363 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.185 -6.557 7.284 1.00 0.71 H new ATOM 67 N ILE A 31 -0.269 -4.356 4.082 1.00 0.49 N ATOM 68 CA ILE A 31 0.063 -4.758 2.732 1.00 0.53 C ATOM 69 C ILE A 31 1.583 -4.839 2.587 1.00 0.43 C ATOM 70 O ILE A 31 2.310 -4.131 3.280 1.00 0.49 O ATOM 71 CB ILE A 31 -0.431 -3.906 1.836 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.889 -3.560 2.151 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.323 -4.482 0.428 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.457 -2.458 1.282 1.00 0.96 C ATOM 0 H ILE A 31 -0.011 -3.396 4.312 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.382 -5.735 2.545 1.00 0.53 H new ATOM 0 HB ILE A 31 0.159 -2.991 1.888 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.499 -4.455 2.031 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.964 -3.261 3.196 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.732 -3.770 -0.289 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.724 -4.673 0.192 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.883 -5.415 0.373 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.493 -2.269 1.564 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.872 -1.549 1.419 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.416 -2.762 0.236 1.00 0.96 H new ATOM 86 N GLN A 32 2.061 -5.748 1.754 1.00 0.39 N ATOM 87 CA GLN A 32 3.489 -5.868 1.504 1.00 0.34 C ATOM 88 C GLN A 32 3.774 -5.602 0.028 1.00 0.33 C ATOM 89 O GLN A 32 3.295 -6.338 -0.838 1.00 0.36 O ATOM 90 CB GLN A 32 3.970 -7.267 1.905 1.00 0.37 C ATOM 91 CG GLN A 32 5.482 -7.406 1.984 1.00 0.53 C ATOM 92 CD GLN A 32 5.916 -8.796 2.411 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.198 -9.496 3.125 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.103 -9.204 1.993 1.00 0.86 N ATOM 0 H GLN A 32 1.483 -6.413 1.240 1.00 0.39 H new ATOM 0 HA GLN A 32 4.028 -5.133 2.102 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.542 -7.523 2.874 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.587 -7.991 1.186 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.916 -7.176 1.011 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.875 -6.674 2.689 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.672 -8.598 1.402 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.449 -10.125 2.262 1.00 0.86 H new ATOM 103 N LEU A 33 4.522 -4.540 -0.260 1.00 0.38 N ATOM 104 CA LEU A 33 4.834 -4.185 -1.645 1.00 0.41 C ATOM 105 C LEU A 33 6.332 -4.301 -1.895 1.00 0.33 C ATOM 106 O LEU A 33 7.122 -4.170 -0.970 1.00 0.36 O ATOM 107 CB LEU A 33 4.410 -2.749 -1.984 1.00 0.56 C ATOM 108 CG LEU A 33 3.010 -2.313 -1.551 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.706 -0.919 -2.079 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.958 -3.301 -2.028 1.00 1.62 C ATOM 0 H LEU A 33 4.921 -3.914 0.439 1.00 0.38 H new ATOM 0 HA LEU A 33 4.278 -4.878 -2.276 1.00 0.41 H new ATOM 0 HB2 LEU A 33 5.131 -2.068 -1.531 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.485 -2.621 -3.064 1.00 0.56 H new ATOM 0 HG LEU A 33 2.983 -2.291 -0.462 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.706 -0.621 -1.764 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.437 -0.213 -1.684 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.757 -0.923 -3.168 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.972 -2.966 -1.706 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.983 -3.362 -3.116 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.164 -4.284 -1.604 1.00 1.62 H new ATOM 122 N ASP A 34 6.725 -4.534 -3.137 1.00 0.33 N ATOM 123 CA ASP A 34 8.139 -4.515 -3.505 1.00 0.34 C ATOM 124 C ASP A 34 8.438 -3.328 -4.418 1.00 0.40 C ATOM 125 O ASP A 34 7.518 -2.681 -4.919 1.00 0.43 O ATOM 126 CB ASP A 34 8.590 -5.830 -4.154 1.00 0.38 C ATOM 127 CG ASP A 34 7.758 -6.240 -5.349 1.00 0.51 C ATOM 128 OD1 ASP A 34 6.920 -7.162 -5.217 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.910 -5.610 -6.418 1.00 1.22 O ATOM 0 H ASP A 34 6.090 -4.738 -3.908 1.00 0.33 H new ATOM 0 HA ASP A 34 8.711 -4.404 -2.584 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.630 -5.733 -4.464 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.553 -6.624 -3.408 1.00 0.38 H new ATOM 134 N GLY A 35 9.724 -3.046 -4.614 1.00 0.47 N ATOM 135 CA GLY A 35 10.154 -1.839 -5.308 1.00 0.57 C ATOM 136 C GLY A 35 9.652 -1.721 -6.737 1.00 0.64 C ATOM 137 O GLY A 35 9.640 -0.627 -7.301 1.00 0.79 O ATOM 0 H GLY A 35 10.489 -3.642 -4.299 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.814 -0.970 -4.744 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.244 -1.808 -5.315 1.00 0.57 H new ATOM 141 N ASP A 36 9.237 -2.831 -7.330 1.00 0.58 N ATOM 142 CA ASP A 36 8.733 -2.810 -8.701 1.00 0.66 C ATOM 143 C ASP A 36 7.277 -2.360 -8.712 1.00 0.61 C ATOM 144 O ASP A 36 6.727 -1.992 -9.752 1.00 0.78 O ATOM 145 CB ASP A 36 8.870 -4.194 -9.340 1.00 0.69 C ATOM 146 CG ASP A 36 8.507 -4.208 -10.815 1.00 1.21 C ATOM 147 OD1 ASP A 36 7.549 -4.919 -11.190 1.00 1.95 O ATOM 148 OD2 ASP A 36 9.179 -3.509 -11.605 1.00 1.56 O ATOM 0 H ASP A 36 9.238 -3.751 -6.890 1.00 0.58 H new ATOM 0 HA ASP A 36 9.324 -2.103 -9.284 1.00 0.66 H new ATOM 0 HB2 ASP A 36 9.896 -4.543 -9.221 1.00 0.69 H new ATOM 0 HB3 ASP A 36 8.230 -4.898 -8.808 1.00 0.69 H new ATOM 153 N GLY A 37 6.666 -2.377 -7.537 1.00 0.51 N ATOM 154 CA GLY A 37 5.284 -1.969 -7.409 1.00 0.53 C ATOM 155 C GLY A 37 4.358 -3.151 -7.239 1.00 0.47 C ATOM 156 O GLY A 37 3.134 -2.997 -7.255 1.00 0.53 O ATOM 0 H GLY A 37 7.107 -2.668 -6.665 1.00 0.51 H new ATOM 0 HA2 GLY A 37 5.181 -1.302 -6.553 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.990 -1.402 -8.292 1.00 0.53 H new ATOM 160 N ASN A 38 4.939 -4.333 -7.071 1.00 0.40 N ATOM 161 CA ASN A 38 4.149 -5.546 -6.916 1.00 0.39 C ATOM 162 C ASN A 38 3.692 -5.700 -5.484 1.00 0.34 C ATOM 163 O ASN A 38 4.316 -5.182 -4.557 1.00 0.40 O ATOM 164 CB ASN A 38 4.933 -6.800 -7.306 1.00 0.44 C ATOM 165 CG ASN A 38 5.438 -6.772 -8.728 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.737 -7.157 -9.665 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.671 -6.347 -8.894 1.00 1.24 N ATOM 0 H ASN A 38 5.948 -4.476 -7.039 1.00 0.40 H new ATOM 0 HA ASN A 38 3.293 -5.445 -7.583 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.780 -6.915 -6.630 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.296 -7.674 -7.171 1.00 0.44 H new ATOM 0 HD21 ASN A 38 7.082 -6.327 -9.827 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.216 -6.037 -8.090 1.00 1.24 H new ATOM 174 N ILE A 39 2.594 -6.405 -5.318 1.00 0.32 N ATOM 175 CA ILE A 39 2.107 -6.760 -4.009 1.00 0.32 C ATOM 176 C ILE A 39 2.466 -8.217 -3.730 1.00 0.36 C ATOM 177 O ILE A 39 2.779 -8.972 -4.656 1.00 0.41 O ATOM 178 CB ILE A 39 0.790 -6.609 -3.926 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.330 -5.329 -4.623 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.348 -6.580 -2.467 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.173 -5.155 -4.650 1.00 0.89 C ATOM 0 H ILE A 39 2.017 -6.746 -6.087 1.00 0.32 H new ATOM 0 HA ILE A 39 2.570 -6.101 -3.274 1.00 0.32 H new ATOM 0 HB ILE A 39 0.331 -7.460 -4.428 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.777 -4.472 -4.120 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.705 -5.329 -5.646 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.734 -6.456 -2.417 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.629 -7.516 -1.983 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.833 -5.748 -1.956 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.422 -4.225 -5.160 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.627 -5.993 -5.180 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.554 -5.122 -3.629 1.00 0.89 H new ATOM 193 N LEU A 40 2.509 -8.591 -2.463 1.00 0.40 N ATOM 194 CA LEU A 40 2.708 -9.980 -2.090 1.00 0.49 C ATOM 195 C LEU A 40 1.489 -10.491 -1.349 1.00 0.56 C ATOM 196 O LEU A 40 0.728 -11.318 -1.851 1.00 0.73 O ATOM 197 CB LEU A 40 3.945 -10.147 -1.202 1.00 0.55 C ATOM 198 CG LEU A 40 5.294 -9.832 -1.866 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.497 -8.333 -2.044 1.00 1.39 C ATOM 200 CD2 LEU A 40 6.432 -10.437 -1.063 1.00 1.45 C ATOM 0 H LEU A 40 2.409 -7.951 -1.675 1.00 0.40 H new ATOM 0 HA LEU A 40 2.859 -10.555 -3.004 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.832 -9.503 -0.330 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.972 -11.174 -0.839 1.00 0.55 H new ATOM 0 HG LEU A 40 5.289 -10.280 -2.860 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.462 -8.150 -2.517 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.703 -7.930 -2.673 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.472 -7.844 -1.070 1.00 1.39 H new ATOM 0 HD21 LEU A 40 7.381 -10.205 -1.546 1.00 1.45 H new ATOM 0 HD22 LEU A 40 6.427 -10.022 -0.055 1.00 1.45 H new ATOM 0 HD23 LEU A 40 6.306 -11.518 -1.011 1.00 1.45 H new ATOM 212 N GLN A 41 1.290 -9.967 -0.155 1.00 0.59 N ATOM 213 CA GLN A 41 0.229 -10.440 0.706 1.00 0.73 C ATOM 214 C GLN A 41 -0.399 -9.303 1.496 1.00 0.61 C ATOM 215 O GLN A 41 0.237 -8.284 1.766 1.00 0.60 O ATOM 216 CB GLN A 41 0.768 -11.508 1.657 1.00 0.99 C ATOM 217 CG GLN A 41 1.995 -11.072 2.440 1.00 0.88 C ATOM 218 CD GLN A 41 2.543 -12.173 3.325 1.00 1.20 C ATOM 219 OE1 GLN A 41 2.396 -13.360 3.027 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.187 -11.785 4.414 1.00 1.30 N ATOM 0 H GLN A 41 1.851 -9.212 0.239 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.547 -10.874 0.076 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.019 -11.786 2.358 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.014 -12.401 1.083 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.770 -10.751 1.744 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.741 -10.209 3.055 1.00 0.88 H new ATOM 0 HE21 GLN A 41 3.285 -10.791 4.622 1.00 1.30 H new ATOM 0 HE22 GLN A 41 3.585 -12.480 5.046 1.00 1.30 H new ATOM 229 N TYR A 42 -1.664 -9.493 1.823 1.00 0.68 N ATOM 230 CA TYR A 42 -2.404 -8.597 2.704 1.00 0.69 C ATOM 231 C TYR A 42 -2.669 -9.303 4.023 1.00 0.78 C ATOM 232 O TYR A 42 -2.299 -10.465 4.197 1.00 1.25 O ATOM 233 CB TYR A 42 -3.763 -8.210 2.098 1.00 0.78 C ATOM 234 CG TYR A 42 -3.719 -7.211 0.960 1.00 0.68 C ATOM 235 CD1 TYR A 42 -4.584 -6.128 0.903 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.779 -7.350 -0.053 1.00 0.57 C ATOM 237 CE1 TYR A 42 -4.513 -5.215 -0.132 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.705 -6.445 -1.091 1.00 0.56 C ATOM 239 CZ TYR A 42 -3.701 -5.379 -1.133 1.00 0.63 C ATOM 240 OH TYR A 42 -3.500 -4.465 -2.151 1.00 0.71 O ATOM 0 H TYR A 42 -2.216 -10.281 1.483 1.00 0.68 H new ATOM 0 HA TYR A 42 -1.805 -7.697 2.846 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.251 -9.117 1.741 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.389 -7.801 2.891 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.324 -5.996 1.679 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.092 -8.183 -0.027 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -5.149 -4.342 -0.108 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.937 -6.522 -1.846 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.182 -3.619 -1.773 1.00 0.71 H new ATOM 250 N ASN A 43 -3.318 -8.607 4.938 1.00 0.89 N ATOM 251 CA ASN A 43 -3.823 -9.232 6.147 1.00 0.95 C ATOM 252 C ASN A 43 -5.346 -9.283 6.077 1.00 1.08 C ATOM 253 O ASN A 43 -5.958 -8.582 5.268 1.00 1.63 O ATOM 254 CB ASN A 43 -3.348 -8.485 7.405 1.00 0.96 C ATOM 255 CG ASN A 43 -3.979 -7.112 7.579 1.00 1.38 C ATOM 256 OD1 ASN A 43 -4.371 -6.457 6.614 1.00 2.13 O ATOM 257 ND2 ASN A 43 -4.064 -6.656 8.821 1.00 1.66 N ATOM 0 H ASN A 43 -3.508 -7.607 4.867 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.430 -10.246 6.217 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.572 -9.091 8.283 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -2.265 -8.374 7.363 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.464 -5.735 9.000 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.729 -7.226 9.598 1.00 1.66 H new ATOM 264 N ALA A 44 -5.958 -10.101 6.918 1.00 1.12 N ATOM 265 CA ALA A 44 -7.400 -10.319 6.862 1.00 1.23 C ATOM 266 C ALA A 44 -8.179 -9.096 7.344 1.00 1.22 C ATOM 267 O ALA A 44 -9.407 -9.049 7.243 1.00 1.39 O ATOM 268 CB ALA A 44 -7.779 -11.540 7.683 1.00 1.48 C ATOM 0 H ALA A 44 -5.480 -10.627 7.650 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.667 -10.489 5.819 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.857 -11.692 7.633 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.270 -12.418 7.285 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.482 -11.387 8.721 1.00 1.48 H new ATOM 274 N ALA A 45 -7.465 -8.109 7.865 1.00 1.21 N ATOM 275 CA ALA A 45 -8.093 -6.903 8.380 1.00 1.34 C ATOM 276 C ALA A 45 -8.391 -5.912 7.263 1.00 1.26 C ATOM 277 O ALA A 45 -9.274 -5.065 7.400 1.00 1.38 O ATOM 278 CB ALA A 45 -7.213 -6.258 9.431 1.00 1.52 C ATOM 0 H ALA A 45 -6.448 -8.121 7.942 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.040 -7.190 8.837 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.697 -5.356 9.807 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.057 -6.956 10.253 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.251 -5.997 8.990 1.00 1.52 H new ATOM 284 N GLU A 46 -7.655 -6.017 6.161 1.00 1.18 N ATOM 285 CA GLU A 46 -7.882 -5.147 5.013 1.00 1.23 C ATOM 286 C GLU A 46 -9.180 -5.549 4.327 1.00 1.20 C ATOM 287 O GLU A 46 -10.069 -4.720 4.116 1.00 1.42 O ATOM 288 CB GLU A 46 -6.710 -5.239 4.025 1.00 1.27 C ATOM 289 CG GLU A 46 -6.598 -4.057 3.059 1.00 1.10 C ATOM 290 CD GLU A 46 -7.852 -3.819 2.235 1.00 1.31 C ATOM 291 OE1 GLU A 46 -8.252 -4.709 1.449 1.00 2.12 O ATOM 292 OE2 GLU A 46 -8.588 -2.574 2.365 1.00 1.31 O ATOM 0 H GLU A 46 -6.900 -6.692 6.039 1.00 1.18 H new ATOM 0 HA GLU A 46 -7.956 -4.115 5.357 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -5.781 -5.319 4.590 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -6.811 -6.157 3.446 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.371 -3.155 3.628 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.759 -4.228 2.385 1.00 1.10 H new ATOM 300 N GLY A 47 -9.282 -6.834 3.995 1.00 1.08 N ATOM 301 CA GLY A 47 -10.478 -7.361 3.361 1.00 1.18 C ATOM 302 C GLY A 47 -11.734 -7.090 4.166 1.00 1.25 C ATOM 303 O GLY A 47 -12.832 -7.036 3.617 1.00 1.42 O ATOM 0 H GLY A 47 -8.549 -7.525 4.156 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.584 -6.919 2.370 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.366 -8.436 3.220 1.00 1.18 H new ATOM 307 N ASP A 48 -11.562 -6.912 5.467 1.00 1.26 N ATOM 308 CA ASP A 48 -12.671 -6.607 6.358 1.00 1.49 C ATOM 309 C ASP A 48 -13.289 -5.251 6.016 1.00 1.53 C ATOM 310 O ASP A 48 -14.500 -5.062 6.132 1.00 1.74 O ATOM 311 CB ASP A 48 -12.186 -6.623 7.810 1.00 1.72 C ATOM 312 CG ASP A 48 -13.282 -6.306 8.806 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.231 -5.220 9.418 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.184 -7.151 8.994 1.00 2.35 O ATOM 0 H ASP A 48 -10.656 -6.974 5.932 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.441 -7.368 6.230 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.770 -7.605 8.037 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.378 -5.900 7.925 1.00 1.72 H new ATOM 319 N ILE A 49 -12.457 -4.319 5.561 1.00 1.50 N ATOM 320 CA ILE A 49 -12.924 -2.981 5.232 1.00 1.74 C ATOM 321 C ILE A 49 -13.219 -2.858 3.736 1.00 1.73 C ATOM 322 O ILE A 49 -14.378 -2.736 3.335 1.00 2.08 O ATOM 323 CB ILE A 49 -12.048 -2.053 5.596 1.00 1.98 C ATOM 324 CG1 ILE A 49 -11.692 -2.187 7.075 1.00 2.10 C ATOM 325 CG2 ILE A 49 -12.585 -0.652 5.303 1.00 2.43 C ATOM 326 CD1 ILE A 49 -12.844 -1.907 8.020 1.00 2.59 C ATOM 0 H ILE A 49 -11.459 -4.467 5.413 1.00 1.50 H new ATOM 0 HA ILE A 49 -13.846 -2.817 5.790 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.141 -2.204 5.010 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -11.324 -3.196 7.258 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -10.875 -1.503 7.304 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -11.849 0.091 5.610 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -12.778 -0.552 4.235 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -13.512 -0.495 5.855 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -12.507 -2.024 9.050 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -13.200 -0.888 7.868 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -13.655 -2.608 7.822 1.00 2.59 H new ATOM 338 N THR A 50 -12.178 -2.891 2.912 1.00 1.71 N ATOM 339 CA THR A 50 -12.354 -2.783 1.475 1.00 1.95 C ATOM 340 C THR A 50 -12.676 -4.146 0.879 1.00 1.90 C ATOM 341 O THR A 50 -13.747 -4.343 0.297 1.00 2.37 O ATOM 342 CB THR A 50 -11.280 -2.277 0.900 1.00 2.44 C ATOM 343 OG1 THR A 50 -10.949 -1.032 1.531 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.496 -2.048 -0.590 1.00 2.45 C ATOM 0 H THR A 50 -11.209 -2.991 3.216 1.00 1.71 H new ATOM 0 HA THR A 50 -13.188 -2.107 1.288 1.00 1.95 H new ATOM 0 HB THR A 50 -10.464 -2.991 1.015 1.00 2.44 H new ATOM 0 HG1 THR A 50 -10.101 -1.125 2.014 1.00 3.41 H new ATOM 0 HG21 THR A 50 -10.590 -1.631 -1.029 1.00 2.45 H new ATOM 0 HG22 THR A 50 -11.730 -2.996 -1.074 1.00 2.45 H new ATOM 0 HG23 THR A 50 -12.323 -1.353 -0.735 1.00 2.45 H new ATOM 352 N GLY A 51 -11.767 -5.095 1.042 1.00 1.87 N ATOM 353 CA GLY A 51 -12.029 -6.437 0.575 1.00 2.32 C ATOM 354 C GLY A 51 -11.039 -6.907 -0.467 1.00 1.77 C ATOM 355 O GLY A 51 -11.424 -7.546 -1.445 1.00 2.08 O ATOM 0 H GLY A 51 -10.859 -4.960 1.486 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.007 -7.121 1.423 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.035 -6.480 0.157 1.00 2.32 H new ATOM 359 N ARG A 52 -9.766 -6.590 -0.281 1.00 1.46 N ATOM 360 CA ARG A 52 -8.743 -7.097 -1.175 1.00 1.09 C ATOM 361 C ARG A 52 -8.176 -8.389 -0.604 1.00 1.03 C ATOM 362 O ARG A 52 -7.640 -8.407 0.503 1.00 1.29 O ATOM 363 CB ARG A 52 -7.630 -6.068 -1.402 1.00 1.22 C ATOM 364 CG ARG A 52 -8.123 -4.706 -1.886 1.00 1.55 C ATOM 365 CD ARG A 52 -9.179 -4.824 -2.980 1.00 1.67 C ATOM 366 NE ARG A 52 -8.798 -5.752 -4.042 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.534 -5.985 -5.128 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.647 -5.290 -5.350 1.00 2.72 N ATOM 369 NH2 ARG A 52 -9.154 -6.913 -5.990 1.00 3.14 N ATOM 0 H ARG A 52 -9.423 -5.992 0.471 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.196 -7.295 -2.146 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -7.081 -5.933 -0.470 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -6.926 -6.467 -2.132 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.537 -4.152 -1.043 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -7.278 -4.129 -2.262 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -10.119 -5.154 -2.537 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -9.358 -3.840 -3.412 1.00 1.67 H new ATOM 0 HE ARG A 52 -7.914 -6.252 -3.946 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.942 -4.573 -4.687 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.205 -5.474 -6.184 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -8.301 -7.447 -5.822 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -9.714 -7.095 -6.823 1.00 3.14 H new ATOM 383 N ASP A 53 -8.318 -9.468 -1.361 1.00 0.94 N ATOM 384 CA ASP A 53 -7.958 -10.796 -0.880 1.00 1.00 C ATOM 385 C ASP A 53 -6.465 -10.941 -0.635 1.00 0.89 C ATOM 386 O ASP A 53 -5.640 -10.466 -1.420 1.00 0.82 O ATOM 387 CB ASP A 53 -8.404 -11.869 -1.870 1.00 1.18 C ATOM 388 CG ASP A 53 -9.910 -12.001 -1.948 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.501 -12.632 -1.047 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.510 -11.474 -2.908 1.00 2.10 O ATOM 0 H ASP A 53 -8.681 -9.450 -2.314 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.474 -10.927 0.071 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.012 -11.631 -2.859 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.974 -12.827 -1.579 1.00 1.18 H new ATOM 395 N PRO A 54 -6.100 -11.611 0.462 1.00 1.02 N ATOM 396 CA PRO A 54 -4.712 -11.919 0.769 1.00 1.10 C ATOM 397 C PRO A 54 -4.117 -12.909 -0.229 1.00 1.03 C ATOM 398 O PRO A 54 -4.653 -14.001 -0.422 1.00 1.68 O ATOM 399 CB PRO A 54 -4.766 -12.543 2.172 1.00 1.35 C ATOM 400 CG PRO A 54 -6.122 -12.214 2.700 1.00 1.43 C ATOM 401 CD PRO A 54 -7.015 -12.106 1.499 1.00 1.25 C ATOM 0 HA PRO A 54 -4.081 -11.032 0.718 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.612 -13.621 2.129 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -3.985 -12.135 2.814 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -6.475 -12.989 3.381 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.107 -11.280 3.261 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.450 -13.068 1.230 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -7.843 -11.418 1.670 1.00 1.25 H new ATOM 409 N LYS A 55 -3.041 -12.480 -0.887 1.00 0.89 N ATOM 410 CA LYS A 55 -2.222 -13.335 -1.761 1.00 0.96 C ATOM 411 C LYS A 55 -2.792 -13.446 -3.177 1.00 0.82 C ATOM 412 O LYS A 55 -2.285 -14.218 -3.989 1.00 0.92 O ATOM 413 CB LYS A 55 -2.016 -14.733 -1.162 1.00 1.26 C ATOM 414 CG LYS A 55 -1.228 -14.743 0.142 1.00 1.53 C ATOM 415 CD LYS A 55 -1.081 -16.158 0.681 1.00 2.06 C ATOM 416 CE LYS A 55 -0.315 -16.194 1.995 1.00 2.89 C ATOM 417 NZ LYS A 55 1.084 -15.702 1.856 1.00 3.61 N ATOM 0 H LYS A 55 -2.705 -11.519 -0.831 1.00 0.89 H new ATOM 0 HA LYS A 55 -1.252 -12.844 -1.833 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -2.991 -15.189 -0.988 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -1.498 -15.356 -1.891 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -0.242 -14.308 -0.022 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -1.732 -14.120 0.880 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -2.069 -16.595 0.826 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -0.565 -16.774 -0.056 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -0.838 -15.586 2.733 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -0.301 -17.215 2.375 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 1.742 -16.419 2.223 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 1.291 -15.523 0.853 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 1.197 -14.820 2.395 1.00 3.61 H new ATOM 431 N GLN A 56 -3.829 -12.673 -3.487 1.00 0.72 N ATOM 432 CA GLN A 56 -4.322 -12.600 -4.864 1.00 0.73 C ATOM 433 C GLN A 56 -3.495 -11.583 -5.639 1.00 0.63 C ATOM 434 O GLN A 56 -3.476 -11.562 -6.870 1.00 0.79 O ATOM 435 CB GLN A 56 -5.798 -12.180 -4.916 1.00 0.87 C ATOM 436 CG GLN A 56 -6.038 -10.754 -4.428 1.00 1.32 C ATOM 437 CD GLN A 56 -7.346 -10.146 -4.911 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.449 -8.929 -5.080 1.00 2.50 O ATOM 439 NE2 GLN A 56 -8.350 -10.976 -5.140 1.00 2.41 N ATOM 0 H GLN A 56 -4.339 -12.096 -2.818 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.231 -13.592 -5.306 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.159 -12.271 -5.941 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.386 -12.868 -4.309 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -6.027 -10.747 -3.338 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -5.212 -10.124 -4.759 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -8.228 -11.977 -4.989 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -9.246 -10.615 -5.467 1.00 2.41 H new ATOM 448 N VAL A 57 -2.793 -10.756 -4.883 1.00 0.52 N ATOM 449 CA VAL A 57 -2.111 -9.590 -5.420 1.00 0.48 C ATOM 450 C VAL A 57 -0.638 -9.846 -5.700 1.00 0.55 C ATOM 451 O VAL A 57 0.166 -8.920 -5.710 1.00 0.97 O ATOM 452 CB VAL A 57 -2.213 -8.563 -4.593 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.604 -7.942 -4.680 1.00 0.62 C ATOM 454 CG2 VAL A 57 -1.908 -8.983 -3.162 1.00 0.58 C ATOM 0 H VAL A 57 -2.679 -10.874 -3.876 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.603 -9.364 -6.366 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.478 -7.815 -4.892 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.670 -7.099 -3.993 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.785 -7.596 -5.698 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.353 -8.687 -4.412 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -1.999 -8.120 -2.502 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -2.613 -9.754 -2.851 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -0.893 -9.377 -3.107 1.00 0.58 H new ATOM 464 N ILE A 58 -0.279 -11.093 -5.926 1.00 0.51 N ATOM 465 CA ILE A 58 1.111 -11.427 -6.167 1.00 0.57 C ATOM 466 C ILE A 58 1.456 -11.167 -7.624 1.00 0.57 C ATOM 467 O ILE A 58 0.751 -11.632 -8.524 1.00 0.66 O ATOM 468 CB ILE A 58 1.377 -12.688 -5.854 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.891 -13.009 -4.440 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.870 -12.968 -5.978 1.00 1.09 C ATOM 471 CD1 ILE A 58 1.118 -14.445 -4.019 1.00 1.01 C ATOM 0 H ILE A 58 -0.922 -11.885 -5.948 1.00 0.51 H new ATOM 0 HA ILE A 58 1.723 -10.794 -5.525 1.00 0.57 H new ATOM 0 HB ILE A 58 0.845 -13.331 -6.555 1.00 0.70 H new ATOM 0 HG12 ILE A 58 1.398 -12.351 -3.735 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.174 -12.787 -4.374 1.00 0.93 H new ATOM 0 HG21 ILE A 58 3.068 -14.008 -5.717 1.00 1.09 H new ATOM 0 HG22 ILE A 58 3.191 -12.784 -7.003 1.00 1.09 H new ATOM 0 HG23 ILE A 58 3.420 -12.313 -5.302 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.746 -14.590 -3.005 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.588 -15.112 -4.699 1.00 1.01 H new ATOM 0 HD13 ILE A 58 2.184 -14.669 -4.050 1.00 1.01 H new ATOM 483 N GLY A 59 2.498 -10.373 -7.857 1.00 0.59 N ATOM 484 CA GLY A 59 2.826 -9.982 -9.207 1.00 0.66 C ATOM 485 C GLY A 59 1.928 -8.876 -9.683 1.00 0.56 C ATOM 486 O GLY A 59 1.972 -8.476 -10.847 1.00 0.65 O ATOM 0 H GLY A 59 3.115 -9.998 -7.136 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.865 -9.656 -9.252 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.733 -10.842 -9.871 1.00 0.66 H new ATOM 490 N LYS A 60 1.104 -8.385 -8.776 1.00 0.48 N ATOM 491 CA LYS A 60 0.124 -7.381 -9.099 1.00 0.45 C ATOM 492 C LYS A 60 0.635 -6.008 -8.716 1.00 0.38 C ATOM 493 O LYS A 60 1.254 -5.844 -7.670 1.00 0.43 O ATOM 494 CB LYS A 60 -1.174 -7.679 -8.367 1.00 0.49 C ATOM 495 CG LYS A 60 -2.165 -8.502 -9.168 1.00 0.80 C ATOM 496 CD LYS A 60 -3.498 -8.592 -8.445 1.00 1.12 C ATOM 497 CE LYS A 60 -4.462 -9.532 -9.142 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.798 -9.086 -10.518 1.00 1.82 N ATOM 0 H LYS A 60 1.100 -8.674 -7.798 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.060 -7.396 -10.173 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -0.943 -8.208 -7.442 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.644 -6.737 -8.086 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.308 -8.052 -10.150 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.766 -9.503 -9.331 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.333 -8.934 -7.423 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.943 -7.599 -8.381 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.025 -10.530 -9.184 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -5.377 -9.609 -8.555 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.498 -9.734 -10.932 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -5.193 -8.125 -10.485 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -3.938 -9.086 -11.103 1.00 1.82 H new ATOM 512 N ASN A 61 0.380 -5.031 -9.566 1.00 0.43 N ATOM 513 CA ASN A 61 0.822 -3.671 -9.298 1.00 0.42 C ATOM 514 C ASN A 61 -0.215 -2.951 -8.446 1.00 0.39 C ATOM 515 O ASN A 61 -1.328 -2.684 -8.906 1.00 0.42 O ATOM 516 CB ASN A 61 1.069 -2.901 -10.602 1.00 0.52 C ATOM 517 CG ASN A 61 1.716 -1.546 -10.367 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.035 -0.550 -10.134 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.038 -1.492 -10.430 1.00 0.71 N ATOM 0 H ASN A 61 -0.127 -5.150 -10.443 1.00 0.43 H new ATOM 0 HA ASN A 61 1.766 -3.717 -8.754 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.707 -3.496 -11.256 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.121 -2.762 -11.122 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.520 -0.605 -10.283 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.574 -2.337 -10.625 1.00 0.71 H new ATOM 526 N PHE A 62 0.153 -2.655 -7.205 1.00 0.38 N ATOM 527 CA PHE A 62 -0.758 -2.024 -6.250 1.00 0.40 C ATOM 528 C PHE A 62 -1.288 -0.694 -6.775 1.00 0.47 C ATOM 529 O PHE A 62 -2.428 -0.318 -6.513 1.00 0.70 O ATOM 530 CB PHE A 62 -0.041 -1.798 -4.914 1.00 0.43 C ATOM 531 CG PHE A 62 -0.888 -1.120 -3.873 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.626 0.186 -3.491 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.947 -1.789 -3.281 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.406 0.813 -2.538 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.729 -1.167 -2.326 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.458 0.135 -1.954 1.00 0.53 C ATOM 0 H PHE A 62 1.083 -2.843 -6.832 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.605 -2.695 -6.107 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.293 -2.760 -4.526 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.851 -1.197 -5.089 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.197 0.720 -3.943 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.164 -2.807 -3.569 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.193 1.832 -2.250 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.551 -1.699 -1.871 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.068 0.622 -1.208 1.00 0.53 H new ATOM 546 N PHE A 63 -0.463 -0.007 -7.540 1.00 0.46 N ATOM 547 CA PHE A 63 -0.762 1.345 -7.974 1.00 0.55 C ATOM 548 C PHE A 63 -1.597 1.347 -9.251 1.00 0.66 C ATOM 549 O PHE A 63 -1.935 2.409 -9.774 1.00 0.91 O ATOM 550 CB PHE A 63 0.549 2.104 -8.189 1.00 0.57 C ATOM 551 CG PHE A 63 1.505 1.954 -7.038 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.474 0.962 -7.050 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.422 2.790 -5.939 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.341 0.809 -5.986 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.288 2.643 -4.874 1.00 1.04 C ATOM 556 CZ PHE A 63 3.247 1.652 -4.896 1.00 1.16 C ATOM 0 H PHE A 63 0.430 -0.367 -7.877 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.350 1.840 -7.201 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.026 1.745 -9.101 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.331 3.161 -8.339 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.551 0.302 -7.901 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.671 3.566 -5.914 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.091 0.032 -6.006 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.215 3.304 -4.023 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.923 1.535 -4.062 1.00 1.16 H new ATOM 566 N LYS A 64 -1.937 0.157 -9.745 1.00 0.57 N ATOM 567 CA LYS A 64 -2.720 0.041 -10.971 1.00 0.72 C ATOM 568 C LYS A 64 -3.826 -1.005 -10.856 1.00 0.72 C ATOM 569 O LYS A 64 -5.009 -0.674 -10.920 1.00 0.90 O ATOM 570 CB LYS A 64 -1.824 -0.306 -12.167 1.00 0.82 C ATOM 571 CG LYS A 64 -0.856 0.801 -12.561 1.00 1.56 C ATOM 572 CD LYS A 64 -1.590 2.105 -12.837 1.00 2.11 C ATOM 573 CE LYS A 64 -0.632 3.213 -13.237 1.00 2.85 C ATOM 574 NZ LYS A 64 -1.301 4.540 -13.258 1.00 3.58 N ATOM 0 H LYS A 64 -1.684 -0.734 -9.317 1.00 0.57 H new ATOM 0 HA LYS A 64 -3.184 1.015 -11.130 1.00 0.72 H new ATOM 0 HB2 LYS A 64 -1.254 -1.205 -11.932 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -2.455 -0.544 -13.023 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.129 0.952 -11.763 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -0.298 0.501 -13.448 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -2.320 1.951 -13.631 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -2.144 2.406 -11.948 1.00 2.11 H new ATOM 0 HE2 LYS A 64 0.205 3.239 -12.540 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -0.219 2.998 -14.223 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 -0.644 5.254 -13.633 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -2.145 4.494 -13.864 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 -1.583 4.802 -12.292 1.00 3.58 H new ATOM 588 N ASP A 65 -3.439 -2.261 -10.650 1.00 0.60 N ATOM 589 CA ASP A 65 -4.351 -3.387 -10.854 1.00 0.69 C ATOM 590 C ASP A 65 -5.395 -3.495 -9.750 1.00 0.74 C ATOM 591 O ASP A 65 -6.483 -4.032 -9.967 1.00 1.10 O ATOM 592 CB ASP A 65 -3.551 -4.690 -10.927 1.00 0.79 C ATOM 593 CG ASP A 65 -4.386 -5.869 -11.395 1.00 1.38 C ATOM 594 OD1 ASP A 65 -4.352 -6.195 -12.598 1.00 1.50 O ATOM 595 OD2 ASP A 65 -5.101 -6.467 -10.562 1.00 2.20 O ATOM 0 H ASP A 65 -2.503 -2.526 -10.343 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.880 -3.212 -11.791 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.708 -4.556 -11.605 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.137 -4.912 -9.944 1.00 0.79 H new ATOM 600 N VAL A 66 -5.093 -2.958 -8.577 1.00 0.70 N ATOM 601 CA VAL A 66 -6.019 -3.034 -7.468 1.00 0.82 C ATOM 602 C VAL A 66 -6.254 -1.676 -6.820 1.00 0.70 C ATOM 603 O VAL A 66 -6.844 -1.595 -5.741 1.00 0.80 O ATOM 604 CB VAL A 66 -5.584 -3.864 -6.541 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.858 -5.312 -6.926 1.00 1.45 C ATOM 606 CG2 VAL A 66 -4.103 -3.652 -6.255 1.00 1.77 C ATOM 0 H VAL A 66 -4.221 -2.470 -8.374 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.959 -3.396 -7.885 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.135 -3.647 -5.626 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.488 -5.973 -6.142 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.931 -5.459 -7.048 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.351 -5.541 -7.863 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -3.777 -4.352 -5.486 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -3.529 -3.820 -7.166 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -3.942 -2.631 -5.908 1.00 1.77 H new ATOM 616 N ALA A 67 -5.826 -0.620 -7.505 1.00 0.56 N ATOM 617 CA ALA A 67 -5.931 0.745 -6.992 1.00 0.53 C ATOM 618 C ALA A 67 -5.187 1.717 -7.897 1.00 0.49 C ATOM 619 O ALA A 67 -4.007 1.975 -7.691 1.00 0.61 O ATOM 620 CB ALA A 67 -5.368 0.850 -5.578 1.00 0.60 C ATOM 0 H ALA A 67 -5.398 -0.684 -8.429 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.990 1.003 -6.971 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.461 1.877 -5.225 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.924 0.187 -4.915 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -4.317 0.561 -5.582 1.00 0.60 H new ATOM 626 N PRO A 68 -5.848 2.253 -8.925 1.00 0.44 N ATOM 627 CA PRO A 68 -5.240 3.219 -9.831 1.00 0.47 C ATOM 628 C PRO A 68 -5.385 4.660 -9.353 1.00 0.55 C ATOM 629 O PRO A 68 -5.441 5.586 -10.161 1.00 0.81 O ATOM 630 CB PRO A 68 -5.999 3.002 -11.145 1.00 0.56 C ATOM 631 CG PRO A 68 -7.210 2.176 -10.811 1.00 0.69 C ATOM 632 CD PRO A 68 -7.218 1.941 -9.322 1.00 0.47 C ATOM 0 HA PRO A 68 -4.164 3.069 -9.914 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.290 3.955 -11.586 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.371 2.491 -11.875 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.120 2.691 -11.120 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.183 1.227 -11.346 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.939 2.584 -8.817 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.483 0.912 -9.079 1.00 0.47 H new ATOM 640 N CYS A 69 -5.439 4.854 -8.041 1.00 0.51 N ATOM 641 CA CYS A 69 -5.294 6.191 -7.487 1.00 0.61 C ATOM 642 C CYS A 69 -3.824 6.534 -7.476 1.00 0.59 C ATOM 643 O CYS A 69 -3.428 7.533 -8.079 1.00 0.81 O ATOM 644 CB CYS A 69 -5.855 6.309 -6.062 1.00 0.85 C ATOM 645 SG CYS A 69 -7.664 6.160 -5.922 1.00 0.81 S ATOM 0 H CYS A 69 -5.580 4.115 -7.352 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.865 6.881 -8.109 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -5.395 5.539 -5.443 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -5.553 7.272 -5.649 1.00 0.85 H new ATOM 0 HG CYS A 69 -7.964 5.523 -4.829 1.00 0.81 H new ATOM 650 N THR A 70 -3.059 5.474 -7.321 1.00 0.61 N ATOM 651 CA THR A 70 -2.181 5.356 -6.187 1.00 0.58 C ATOM 652 C THR A 70 -0.796 5.802 -6.602 1.00 0.55 C ATOM 653 O THR A 70 -0.009 6.310 -5.795 1.00 0.64 O ATOM 654 CB THR A 70 -2.162 4.108 -5.773 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.504 3.606 -5.736 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.549 3.990 -4.393 1.00 1.07 C ATOM 0 H THR A 70 -3.031 4.685 -7.967 1.00 0.61 H new ATOM 0 HA THR A 70 -2.531 5.983 -5.367 1.00 0.58 H new ATOM 0 HB THR A 70 -1.553 3.527 -6.466 1.00 0.63 H new ATOM 0 HG1 THR A 70 -3.584 2.841 -6.343 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.550 2.945 -4.083 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.524 4.361 -4.417 1.00 1.07 H new ATOM 0 HG23 THR A 70 -2.131 4.579 -3.685 1.00 1.07 H new ATOM 664 N ASP A 71 -0.534 5.691 -7.897 1.00 0.55 N ATOM 665 CA ASP A 71 0.726 6.167 -8.440 1.00 0.63 C ATOM 666 C ASP A 71 0.704 7.690 -8.490 1.00 0.70 C ATOM 667 O ASP A 71 0.027 8.303 -9.316 1.00 0.88 O ATOM 668 CB ASP A 71 1.020 5.557 -9.818 1.00 0.76 C ATOM 669 CG ASP A 71 -0.003 5.920 -10.877 1.00 0.96 C ATOM 670 OD1 ASP A 71 -1.175 5.511 -10.748 1.00 1.85 O ATOM 671 OD2 ASP A 71 0.355 6.634 -11.837 1.00 1.34 O ATOM 0 H ASP A 71 -1.169 5.281 -8.582 1.00 0.55 H new ATOM 0 HA ASP A 71 1.537 5.845 -7.787 1.00 0.63 H new ATOM 0 HB2 ASP A 71 2.005 5.887 -10.149 1.00 0.76 H new ATOM 0 HB3 ASP A 71 1.062 4.472 -9.723 1.00 0.76 H new ATOM 676 N SER A 72 1.411 8.295 -7.554 1.00 0.66 N ATOM 677 CA SER A 72 1.390 9.740 -7.371 1.00 0.77 C ATOM 678 C SER A 72 2.621 10.174 -6.589 1.00 0.76 C ATOM 679 O SER A 72 3.141 9.403 -5.783 1.00 0.71 O ATOM 680 CB SER A 72 0.124 10.162 -6.612 1.00 0.88 C ATOM 681 OG SER A 72 -1.047 9.780 -7.312 1.00 1.56 O ATOM 0 H SER A 72 2.017 7.802 -6.898 1.00 0.66 H new ATOM 0 HA SER A 72 1.391 10.219 -8.350 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.123 9.707 -5.621 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.127 11.242 -6.467 1.00 0.88 H new ATOM 0 HG SER A 72 -1.837 10.060 -6.805 1.00 1.56 H new ATOM 687 N PRO A 73 3.094 11.410 -6.801 1.00 0.90 N ATOM 688 CA PRO A 73 4.294 11.933 -6.131 1.00 0.99 C ATOM 689 C PRO A 73 4.191 11.882 -4.605 1.00 0.96 C ATOM 690 O PRO A 73 5.190 11.699 -3.909 1.00 1.05 O ATOM 691 CB PRO A 73 4.373 13.392 -6.610 1.00 1.13 C ATOM 692 CG PRO A 73 3.026 13.698 -7.172 1.00 1.17 C ATOM 693 CD PRO A 73 2.509 12.401 -7.717 1.00 1.05 C ATOM 0 HA PRO A 73 5.175 11.340 -6.375 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.617 14.063 -5.786 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.151 13.517 -7.364 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.361 14.092 -6.403 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.091 14.453 -7.955 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.420 12.365 -7.711 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.828 12.239 -8.747 1.00 1.05 H new ATOM 701 N GLU A 74 2.974 12.016 -4.091 1.00 0.91 N ATOM 702 CA GLU A 74 2.754 12.060 -2.651 1.00 0.96 C ATOM 703 C GLU A 74 2.569 10.666 -2.048 1.00 0.93 C ATOM 704 O GLU A 74 2.429 10.528 -0.836 1.00 1.25 O ATOM 705 CB GLU A 74 1.553 12.956 -2.329 1.00 1.07 C ATOM 706 CG GLU A 74 0.287 12.596 -3.090 1.00 0.90 C ATOM 707 CD GLU A 74 -0.795 13.642 -2.923 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.673 13.456 -2.054 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.787 14.641 -3.669 1.00 1.58 O ATOM 0 H GLU A 74 2.125 12.096 -4.650 1.00 0.91 H new ATOM 0 HA GLU A 74 3.649 12.484 -2.195 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.349 12.901 -1.260 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.815 13.990 -2.551 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.521 12.483 -4.149 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.084 11.632 -2.741 1.00 0.90 H new ATOM 716 N PHE A 75 2.581 9.631 -2.884 1.00 0.80 N ATOM 717 CA PHE A 75 2.478 8.264 -2.385 1.00 0.79 C ATOM 718 C PHE A 75 3.503 7.367 -3.068 1.00 0.66 C ATOM 719 O PHE A 75 4.508 6.998 -2.466 1.00 0.66 O ATOM 720 CB PHE A 75 1.067 7.701 -2.586 1.00 0.87 C ATOM 721 CG PHE A 75 0.865 6.367 -1.922 1.00 1.53 C ATOM 722 CD1 PHE A 75 1.054 5.191 -2.632 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.473 6.286 -0.595 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.857 3.962 -2.033 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.276 5.059 0.010 1.00 2.61 C ATOM 726 CZ PHE A 75 0.515 3.904 -0.678 1.00 3.36 C ATOM 0 H PHE A 75 2.660 9.711 -3.898 1.00 0.80 H new ATOM 0 HA PHE A 75 2.684 8.286 -1.315 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.339 8.410 -2.192 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.870 7.603 -3.654 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.359 5.237 -3.667 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.320 7.192 -0.027 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.966 3.053 -2.606 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.069 5.014 1.032 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.440 2.950 -0.178 1.00 3.36 H new ATOM 736 N TYR A 76 3.245 7.026 -4.330 1.00 0.59 N ATOM 737 CA TYR A 76 4.166 6.209 -5.115 1.00 0.50 C ATOM 738 C TYR A 76 5.535 6.877 -5.182 1.00 0.47 C ATOM 739 O TYR A 76 6.568 6.207 -5.171 1.00 0.49 O ATOM 740 CB TYR A 76 3.610 5.991 -6.529 1.00 0.51 C ATOM 741 CG TYR A 76 4.498 5.153 -7.429 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.214 5.732 -8.470 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.622 3.785 -7.232 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.028 4.968 -9.286 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.432 3.016 -8.045 1.00 0.59 C ATOM 746 CZ TYR A 76 6.134 3.612 -9.068 1.00 0.65 C ATOM 747 OH TYR A 76 6.949 2.848 -9.872 1.00 0.79 O ATOM 0 H TYR A 76 2.402 7.305 -4.831 1.00 0.59 H new ATOM 0 HA TYR A 76 4.274 5.239 -4.630 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.634 5.511 -6.453 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.452 6.962 -6.998 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.133 6.795 -8.644 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.076 3.313 -6.429 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.578 5.432 -10.091 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.514 1.952 -7.879 1.00 0.59 H new ATOM 0 HH TYR A 76 6.910 1.913 -9.582 1.00 0.79 H new ATOM 757 N GLY A 77 5.527 8.202 -5.249 1.00 0.48 N ATOM 758 CA GLY A 77 6.757 8.960 -5.234 1.00 0.50 C ATOM 759 C GLY A 77 7.582 8.680 -3.996 1.00 0.52 C ATOM 760 O GLY A 77 8.782 8.451 -4.092 1.00 0.60 O ATOM 0 H GLY A 77 4.680 8.767 -5.314 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.342 8.719 -6.121 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.527 10.024 -5.283 1.00 0.50 H new ATOM 764 N LYS A 78 6.933 8.671 -2.836 1.00 0.53 N ATOM 765 CA LYS A 78 7.623 8.431 -1.572 1.00 0.60 C ATOM 766 C LYS A 78 7.960 6.951 -1.402 1.00 0.59 C ATOM 767 O LYS A 78 9.037 6.609 -0.908 1.00 0.66 O ATOM 768 CB LYS A 78 6.774 8.925 -0.395 1.00 0.69 C ATOM 769 CG LYS A 78 6.563 10.432 -0.393 1.00 0.77 C ATOM 770 CD LYS A 78 7.889 11.172 -0.341 1.00 1.17 C ATOM 771 CE LYS A 78 7.718 12.665 -0.573 1.00 1.41 C ATOM 772 NZ LYS A 78 9.025 13.372 -0.586 1.00 2.09 N ATOM 0 H LYS A 78 5.929 8.827 -2.744 1.00 0.53 H new ATOM 0 HA LYS A 78 8.558 8.991 -1.587 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.803 8.430 -0.424 1.00 0.69 H new ATOM 0 HB3 LYS A 78 7.254 8.632 0.538 1.00 0.69 H new ATOM 0 HG2 LYS A 78 6.014 10.726 -1.288 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.952 10.715 0.464 1.00 0.77 H new ATOM 0 HD2 LYS A 78 8.358 11.007 0.629 1.00 1.17 H new ATOM 0 HD3 LYS A 78 8.562 10.763 -1.094 1.00 1.17 H new ATOM 0 HE2 LYS A 78 7.206 12.830 -1.521 1.00 1.41 H new ATOM 0 HE3 LYS A 78 7.085 13.085 0.209 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 8.866 14.394 -0.696 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 9.525 13.193 0.308 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 9.600 13.024 -1.380 1.00 2.09 H new ATOM 786 N PHE A 79 7.039 6.087 -1.825 1.00 0.52 N ATOM 787 CA PHE A 79 7.250 4.639 -1.794 1.00 0.50 C ATOM 788 C PHE A 79 8.511 4.268 -2.562 1.00 0.51 C ATOM 789 O PHE A 79 9.293 3.419 -2.142 1.00 0.56 O ATOM 790 CB PHE A 79 6.027 3.922 -2.387 1.00 0.48 C ATOM 791 CG PHE A 79 6.212 2.440 -2.541 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.921 1.573 -1.498 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.699 1.916 -3.727 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.115 0.220 -1.640 1.00 0.67 C ATOM 795 CE2 PHE A 79 6.890 0.561 -3.872 1.00 0.61 C ATOM 796 CZ PHE A 79 6.599 -0.286 -2.827 1.00 0.65 C ATOM 0 H PHE A 79 6.131 6.367 -2.197 1.00 0.52 H new ATOM 0 HA PHE A 79 7.377 4.322 -0.759 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.163 4.107 -1.748 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.801 4.354 -3.362 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.539 1.964 -0.567 1.00 0.62 H new ATOM 0 HD2 PHE A 79 6.932 2.579 -4.548 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.888 -0.447 -0.821 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.267 0.164 -4.803 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.750 -1.350 -2.937 1.00 0.65 H new ATOM 806 N LYS A 80 8.705 4.934 -3.678 1.00 0.51 N ATOM 807 CA LYS A 80 9.856 4.681 -4.534 1.00 0.58 C ATOM 808 C LYS A 80 11.042 5.536 -4.120 1.00 0.63 C ATOM 809 O LYS A 80 12.182 5.250 -4.484 1.00 0.66 O ATOM 810 CB LYS A 80 9.507 4.961 -5.997 1.00 0.64 C ATOM 811 CG LYS A 80 8.514 3.974 -6.584 1.00 0.69 C ATOM 812 CD LYS A 80 9.103 2.573 -6.647 1.00 0.72 C ATOM 813 CE LYS A 80 10.206 2.474 -7.699 1.00 0.93 C ATOM 814 NZ LYS A 80 9.676 2.557 -9.090 1.00 1.09 N ATOM 0 H LYS A 80 8.078 5.662 -4.021 1.00 0.51 H new ATOM 0 HA LYS A 80 10.128 3.631 -4.424 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.097 5.968 -6.078 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.421 4.940 -6.590 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.607 3.963 -5.979 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.226 4.296 -7.585 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.505 2.302 -5.671 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.315 1.856 -6.877 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.928 3.275 -7.540 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.741 1.533 -7.573 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 9.917 1.687 -9.606 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 8.642 2.668 -9.062 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.099 3.375 -9.574 1.00 1.09 H new ATOM 828 N GLU A 81 10.772 6.568 -3.337 1.00 0.67 N ATOM 829 CA GLU A 81 11.791 7.542 -2.977 1.00 0.78 C ATOM 830 C GLU A 81 12.809 6.925 -2.030 1.00 0.67 C ATOM 831 O GLU A 81 13.997 7.240 -2.093 1.00 0.70 O ATOM 832 CB GLU A 81 11.153 8.770 -2.329 1.00 0.94 C ATOM 833 CG GLU A 81 12.100 9.945 -2.172 1.00 1.25 C ATOM 834 CD GLU A 81 11.482 11.082 -1.391 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.687 11.847 -1.970 1.00 2.07 O ATOM 836 OE2 GLU A 81 11.789 11.214 -0.189 1.00 2.04 O ATOM 0 H GLU A 81 9.852 6.754 -2.937 1.00 0.67 H new ATOM 0 HA GLU A 81 12.303 7.852 -3.888 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.298 9.083 -2.929 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.769 8.492 -1.348 1.00 0.94 H new ATOM 0 HG2 GLU A 81 13.007 9.612 -1.668 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.396 10.304 -3.158 1.00 1.25 H new ATOM 843 N GLY A 82 12.334 6.052 -1.157 1.00 0.62 N ATOM 844 CA GLY A 82 13.221 5.383 -0.228 1.00 0.62 C ATOM 845 C GLY A 82 14.007 4.283 -0.906 1.00 0.62 C ATOM 846 O GLY A 82 15.184 4.090 -0.624 1.00 0.72 O ATOM 0 H GLY A 82 11.351 5.794 -1.074 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.909 6.108 0.206 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.640 4.963 0.593 1.00 0.62 H new ATOM 850 N VAL A 83 13.334 3.549 -1.783 1.00 0.58 N ATOM 851 CA VAL A 83 13.977 2.534 -2.614 1.00 0.66 C ATOM 852 C VAL A 83 15.142 3.142 -3.388 1.00 0.73 C ATOM 853 O VAL A 83 16.265 2.630 -3.347 1.00 0.85 O ATOM 854 CB VAL A 83 13.119 2.022 -3.485 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.725 0.822 -4.203 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.809 1.644 -2.818 1.00 0.65 C ATOM 0 H VAL A 83 12.330 3.638 -1.940 1.00 0.58 H new ATOM 0 HA VAL A 83 14.337 1.747 -1.951 1.00 0.66 H new ATOM 0 HB VAL A 83 12.904 2.792 -4.226 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.002 0.419 -4.912 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.623 1.133 -4.737 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.984 0.054 -3.474 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.129 1.228 -3.561 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.997 0.902 -2.042 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.359 2.531 -2.371 1.00 0.65 H new ATOM 866 N ALA A 84 14.866 4.259 -4.054 1.00 0.70 N ATOM 867 CA ALA A 84 15.846 4.932 -4.892 1.00 0.81 C ATOM 868 C ALA A 84 17.044 5.426 -4.086 1.00 0.92 C ATOM 869 O ALA A 84 18.164 5.468 -4.597 1.00 1.14 O ATOM 870 CB ALA A 84 15.191 6.090 -5.628 1.00 0.85 C ATOM 0 H ALA A 84 13.957 4.721 -4.026 1.00 0.70 H new ATOM 0 HA ALA A 84 16.218 4.206 -5.615 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.931 6.589 -6.253 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.382 5.713 -6.254 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.789 6.800 -4.905 1.00 0.85 H new ATOM 876 N SER A 85 16.811 5.800 -2.834 1.00 0.92 N ATOM 877 CA SER A 85 17.882 6.295 -1.985 1.00 1.12 C ATOM 878 C SER A 85 18.533 5.155 -1.207 1.00 1.16 C ATOM 879 O SER A 85 19.661 4.753 -1.502 1.00 1.40 O ATOM 880 CB SER A 85 17.354 7.368 -1.028 1.00 1.38 C ATOM 881 OG SER A 85 16.238 6.904 -0.286 1.00 1.82 O ATOM 0 H SER A 85 15.894 5.770 -2.388 1.00 0.92 H new ATOM 0 HA SER A 85 18.642 6.744 -2.624 1.00 1.12 H new ATOM 0 HB2 SER A 85 18.147 7.668 -0.343 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.071 8.255 -1.595 1.00 1.38 H new ATOM 0 HG SER A 85 15.419 7.044 -0.805 1.00 1.82 H new ATOM 887 N GLY A 86 17.823 4.632 -0.220 1.00 1.12 N ATOM 888 CA GLY A 86 18.373 3.580 0.597 1.00 1.47 C ATOM 889 C GLY A 86 17.341 2.882 1.458 1.00 1.35 C ATOM 890 O GLY A 86 17.178 1.664 1.380 1.00 1.65 O ATOM 0 H GLY A 86 16.876 4.919 0.027 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.855 2.844 -0.047 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.148 3.997 1.239 1.00 1.47 H new ATOM 894 N ASN A 87 16.636 3.645 2.279 1.00 1.30 N ATOM 895 CA ASN A 87 15.762 3.058 3.286 1.00 1.28 C ATOM 896 C ASN A 87 14.318 3.520 3.130 1.00 0.81 C ATOM 897 O ASN A 87 14.046 4.627 2.667 1.00 1.19 O ATOM 898 CB ASN A 87 16.275 3.382 4.694 1.00 1.94 C ATOM 899 CG ASN A 87 16.370 4.873 4.968 1.00 2.79 C ATOM 900 OD1 ASN A 87 15.423 5.489 5.450 1.00 3.50 O ATOM 901 ND2 ASN A 87 17.525 5.461 4.683 1.00 3.16 N ATOM 0 H ASN A 87 16.650 4.665 2.270 1.00 1.30 H new ATOM 0 HA ASN A 87 15.777 1.978 3.139 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.612 2.926 5.429 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.258 2.931 4.828 1.00 1.94 H new ATOM 0 HD21 ASN A 87 17.648 6.457 4.864 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.289 4.917 4.283 1.00 3.16 H new ATOM 908 N LEU A 88 13.401 2.643 3.519 1.00 0.61 N ATOM 909 CA LEU A 88 11.976 2.912 3.453 1.00 0.75 C ATOM 910 C LEU A 88 11.410 3.005 4.859 1.00 0.56 C ATOM 911 O LEU A 88 11.326 1.995 5.554 1.00 1.00 O ATOM 912 CB LEU A 88 11.235 1.790 2.705 1.00 1.61 C ATOM 913 CG LEU A 88 11.385 1.763 1.182 1.00 2.22 C ATOM 914 CD1 LEU A 88 10.926 3.079 0.581 1.00 2.96 C ATOM 915 CD2 LEU A 88 12.816 1.440 0.770 1.00 2.90 C ATOM 0 H LEU A 88 13.630 1.721 3.891 1.00 0.61 H new ATOM 0 HA LEU A 88 11.836 3.852 2.919 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.580 0.834 3.098 1.00 1.61 H new ATOM 0 HB3 LEU A 88 10.174 1.867 2.941 1.00 1.61 H new ATOM 0 HG LEU A 88 10.748 0.968 0.794 1.00 2.22 H new ATOM 0 HD11 LEU A 88 11.039 3.043 -0.503 1.00 2.96 H new ATOM 0 HD12 LEU A 88 9.879 3.248 0.831 1.00 2.96 H new ATOM 0 HD13 LEU A 88 11.530 3.893 0.982 1.00 2.96 H new ATOM 0 HD21 LEU A 88 12.888 1.429 -0.318 1.00 2.90 H new ATOM 0 HD22 LEU A 88 13.490 2.198 1.170 1.00 2.90 H new ATOM 0 HD23 LEU A 88 13.096 0.462 1.162 1.00 2.90 H new ATOM 927 N ASN A 89 11.068 4.205 5.297 1.00 0.54 N ATOM 928 CA ASN A 89 10.376 4.366 6.569 1.00 0.47 C ATOM 929 C ASN A 89 9.860 5.786 6.756 1.00 0.59 C ATOM 930 O ASN A 89 10.621 6.743 6.897 1.00 0.97 O ATOM 931 CB ASN A 89 11.245 3.945 7.761 1.00 0.50 C ATOM 932 CG ASN A 89 12.541 4.729 7.893 1.00 1.31 C ATOM 933 OD1 ASN A 89 12.593 5.769 8.551 1.00 2.24 O ATOM 934 ND2 ASN A 89 13.601 4.221 7.285 1.00 1.82 N ATOM 0 H ASN A 89 11.255 5.075 4.798 1.00 0.54 H new ATOM 0 HA ASN A 89 9.517 3.696 6.536 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.667 4.063 8.678 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.482 2.885 7.667 1.00 0.50 H new ATOM 0 HD21 ASN A 89 14.503 4.693 7.352 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.516 3.357 6.749 1.00 1.82 H new ATOM 941 N THR A 90 8.547 5.909 6.702 1.00 0.51 N ATOM 942 CA THR A 90 7.870 7.151 7.003 1.00 0.61 C ATOM 943 C THR A 90 6.380 6.884 7.189 1.00 0.53 C ATOM 944 O THR A 90 5.875 5.838 6.774 1.00 0.51 O ATOM 945 CB THR A 90 8.070 8.067 6.055 1.00 0.75 C ATOM 946 OG1 THR A 90 7.591 9.352 6.485 1.00 1.63 O ATOM 947 CG2 THR A 90 7.404 7.688 4.739 1.00 1.39 C ATOM 0 H THR A 90 7.920 5.146 6.447 1.00 0.51 H new ATOM 0 HA THR A 90 8.286 7.553 7.927 1.00 0.61 H new ATOM 0 HB THR A 90 9.145 8.116 5.884 1.00 0.75 H new ATOM 0 HG1 THR A 90 7.747 10.013 5.778 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.595 8.464 3.998 1.00 1.39 H new ATOM 0 HG22 THR A 90 7.811 6.741 4.385 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.329 7.588 4.891 1.00 1.39 H new ATOM 955 N MET A 91 5.700 7.780 7.875 1.00 0.55 N ATOM 956 CA MET A 91 4.255 7.700 8.002 1.00 0.51 C ATOM 957 C MET A 91 3.629 9.031 7.599 1.00 0.57 C ATOM 958 O MET A 91 3.931 10.077 8.175 1.00 0.75 O ATOM 959 CB MET A 91 3.840 7.313 9.430 1.00 0.60 C ATOM 960 CG MET A 91 4.213 8.331 10.497 1.00 1.14 C ATOM 961 SD MET A 91 3.554 7.902 12.118 1.00 1.61 S ATOM 962 CE MET A 91 4.115 9.299 13.084 1.00 1.77 C ATOM 0 H MET A 91 6.124 8.574 8.355 1.00 0.55 H new ATOM 0 HA MET A 91 3.892 6.919 7.334 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.761 7.162 9.452 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.300 6.358 9.682 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.299 8.408 10.558 1.00 1.14 H new ATOM 0 HG3 MET A 91 3.840 9.313 10.205 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.786 9.183 14.117 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.203 9.349 13.053 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.698 10.218 12.671 1.00 1.77 H new ATOM 972 N PHE A 92 2.785 8.994 6.586 1.00 0.49 N ATOM 973 CA PHE A 92 2.099 10.190 6.123 1.00 0.55 C ATOM 974 C PHE A 92 0.630 9.877 5.896 1.00 0.48 C ATOM 975 O PHE A 92 0.246 8.712 5.875 1.00 0.47 O ATOM 976 CB PHE A 92 2.749 10.751 4.847 1.00 0.72 C ATOM 977 CG PHE A 92 2.820 9.787 3.693 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.786 9.706 2.775 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.931 8.975 3.516 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.855 8.832 1.707 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.004 8.098 2.452 1.00 2.86 C ATOM 982 CZ PHE A 92 2.965 8.026 1.545 1.00 3.01 C ATOM 0 H PHE A 92 2.556 8.147 6.065 1.00 0.49 H new ATOM 0 HA PHE A 92 2.183 10.960 6.890 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.192 11.633 4.531 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.759 11.082 5.087 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.915 10.334 2.895 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.749 9.030 4.219 1.00 1.83 H new ATOM 0 HE1 PHE A 92 1.041 8.779 0.999 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.873 7.469 2.329 1.00 2.86 H new ATOM 0 HZ PHE A 92 3.020 7.341 0.711 1.00 3.01 H new ATOM 992 N GLU A 93 -0.195 10.898 5.753 1.00 0.48 N ATOM 993 CA GLU A 93 -1.623 10.683 5.585 1.00 0.47 C ATOM 994 C GLU A 93 -2.025 10.898 4.134 1.00 0.45 C ATOM 995 O GLU A 93 -1.917 12.003 3.602 1.00 0.53 O ATOM 996 CB GLU A 93 -2.415 11.601 6.517 1.00 0.58 C ATOM 997 CG GLU A 93 -1.971 11.493 7.966 1.00 1.30 C ATOM 998 CD GLU A 93 -2.889 12.219 8.923 1.00 1.73 C ATOM 999 OE1 GLU A 93 -3.162 11.672 10.011 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -3.346 13.329 8.589 1.00 2.04 O ATOM 0 H GLU A 93 0.094 11.876 5.750 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.855 9.652 5.851 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -2.304 12.633 6.184 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -3.475 11.356 6.447 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -1.921 10.441 8.247 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -0.963 11.897 8.062 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.478 9.830 3.497 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.842 9.867 2.091 1.00 0.51 C ATOM 1009 C TYR A 94 -4.321 9.535 1.931 1.00 0.42 C ATOM 1010 O TYR A 94 -4.902 8.834 2.759 1.00 0.40 O ATOM 1011 CB TYR A 94 -1.973 8.883 1.294 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.230 8.887 -0.201 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.708 7.752 -0.842 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.992 10.021 -0.968 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.943 7.745 -2.205 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.226 10.022 -2.332 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.700 8.881 -2.945 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.944 8.875 -4.303 1.00 3.37 O ATOM 0 H TYR A 94 -2.603 8.919 3.937 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.667 10.870 1.701 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -0.924 9.119 1.470 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.142 7.876 1.676 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -2.900 6.859 -0.266 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.619 10.916 -0.492 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.315 6.853 -2.687 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -2.038 10.912 -2.914 1.00 1.83 H new ATOM 0 HH TYR A 94 -2.723 9.753 -4.679 1.00 3.37 H new ATOM 1028 N THR A 95 -4.928 10.044 0.872 1.00 0.46 N ATOM 1029 CA THR A 95 -6.341 9.834 0.636 1.00 0.46 C ATOM 1030 C THR A 95 -6.554 8.791 -0.464 1.00 0.47 C ATOM 1031 O THR A 95 -5.888 8.823 -1.498 1.00 0.60 O ATOM 1032 CB THR A 95 -6.924 10.973 0.301 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.507 12.007 1.211 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.438 10.865 0.324 1.00 1.09 C ATOM 0 H THR A 95 -4.460 10.607 0.162 1.00 0.46 H new ATOM 0 HA THR A 95 -6.792 9.464 1.557 1.00 0.46 H new ATOM 0 HB THR A 95 -6.622 11.215 -0.718 1.00 0.59 H new ATOM 0 HG1 THR A 95 -6.936 12.853 0.964 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.875 11.823 0.043 1.00 1.09 H new ATOM 0 HG22 THR A 95 -8.759 10.098 -0.381 1.00 1.09 H new ATOM 0 HG23 THR A 95 -8.768 10.596 1.327 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.432 7.833 -0.199 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.754 6.786 -1.162 1.00 0.53 C ATOM 1044 C PHE A 96 -9.194 6.935 -1.616 1.00 0.62 C ATOM 1045 O PHE A 96 -10.121 6.884 -0.805 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.532 5.404 -0.551 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.083 5.048 -0.360 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.341 4.533 -1.412 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.465 5.221 0.868 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.010 4.198 -1.242 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -4.134 4.889 1.043 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.406 4.376 -0.012 1.00 1.03 C ATOM 0 H PHE A 96 -7.939 7.759 0.683 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.094 6.887 -2.024 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.037 5.359 0.414 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -7.999 4.655 -1.191 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -5.808 4.392 -2.376 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -6.029 5.620 1.698 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.443 3.798 -2.070 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -3.664 5.031 2.005 1.00 1.18 H new ATOM 0 HZ PHE A 96 -2.367 4.114 0.124 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.372 7.138 -2.909 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.689 7.389 -3.465 1.00 0.88 C ATOM 1064 C ASP A 97 -10.995 6.356 -4.543 1.00 0.95 C ATOM 1065 O ASP A 97 -10.576 5.203 -4.437 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.759 8.795 -4.068 1.00 1.17 C ATOM 1067 CG ASP A 97 -9.799 9.781 -3.429 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -8.670 9.939 -3.949 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -10.169 10.419 -2.425 1.00 2.57 O ATOM 0 H ASP A 97 -8.618 7.134 -3.596 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.425 7.314 -2.665 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -10.546 8.734 -5.135 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -11.776 9.174 -3.967 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.745 6.776 -5.563 1.00 1.21 N ATOM 1075 CA TYR A 98 -12.040 5.945 -6.733 1.00 1.30 C ATOM 1076 C TYR A 98 -12.901 4.736 -6.360 1.00 1.26 C ATOM 1077 O TYR A 98 -14.126 4.795 -6.456 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.741 5.510 -7.422 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.933 4.819 -8.755 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.635 3.470 -8.912 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.403 5.522 -9.857 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.801 2.844 -10.132 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.574 4.901 -11.079 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.271 3.563 -11.211 1.00 2.67 C ATOM 1085 OH TYR A 98 -11.434 2.944 -12.428 1.00 3.21 O ATOM 0 H TYR A 98 -12.166 7.704 -5.602 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.616 6.546 -7.436 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.113 6.388 -7.571 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -10.199 4.839 -6.755 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.269 2.904 -8.068 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.639 6.571 -9.757 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.564 1.796 -10.241 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.943 5.461 -11.926 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.774 3.591 -13.081 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.266 3.654 -5.918 1.00 1.11 N ATOM 1096 CA GLN A 99 -12.999 2.467 -5.490 1.00 1.70 C ATOM 1097 C GLN A 99 -13.672 2.740 -4.158 1.00 1.80 C ATOM 1098 O GLN A 99 -14.874 2.529 -3.990 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.067 1.257 -5.360 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.521 0.748 -6.683 1.00 2.28 C ATOM 1101 CD GLN A 99 -10.609 -0.449 -6.500 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -11.054 -1.598 -6.518 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -9.325 -0.190 -6.317 1.00 2.81 N ATOM 0 H GLN A 99 -11.252 3.575 -5.847 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.751 2.237 -6.245 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -11.231 1.524 -4.713 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.606 0.448 -4.867 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -12.350 0.475 -7.336 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -10.973 1.548 -7.181 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -8.996 0.775 -6.309 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -8.664 -0.956 -6.184 1.00 2.81 H new ATOM 1112 N MET A 100 -12.886 3.228 -3.218 1.00 1.50 N ATOM 1113 CA MET A 100 -13.389 3.584 -1.905 1.00 1.55 C ATOM 1114 C MET A 100 -13.762 5.058 -1.879 1.00 1.40 C ATOM 1115 O MET A 100 -12.984 5.898 -2.318 1.00 1.30 O ATOM 1116 CB MET A 100 -12.331 3.278 -0.844 1.00 1.54 C ATOM 1117 CG MET A 100 -12.786 3.565 0.577 1.00 1.64 C ATOM 1118 SD MET A 100 -11.616 2.969 1.816 1.00 2.37 S ATOM 1119 CE MET A 100 -10.127 3.836 1.329 1.00 2.85 C ATOM 0 H MET A 100 -11.886 3.388 -3.341 1.00 1.50 H new ATOM 0 HA MET A 100 -14.280 2.996 -1.687 1.00 1.55 H new ATOM 0 HB2 MET A 100 -12.047 2.228 -0.920 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.438 3.866 -1.055 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.924 4.639 0.700 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.756 3.098 0.745 1.00 1.64 H new ATOM 0 HE1 MET A 100 -9.560 4.113 2.218 1.00 2.85 H new ATOM 0 HE2 MET A 100 -9.519 3.188 0.698 1.00 2.85 H new ATOM 0 HE3 MET A 100 -10.395 4.735 0.774 1.00 2.85 H new ATOM 1129 N THR A 101 -14.963 5.358 -1.398 1.00 1.46 N ATOM 1130 CA THR A 101 -15.415 6.736 -1.257 1.00 1.40 C ATOM 1131 C THR A 101 -14.385 7.539 -0.465 1.00 1.14 C ATOM 1132 O THR A 101 -14.152 7.231 0.701 1.00 1.13 O ATOM 1133 CB THR A 101 -16.579 6.775 -0.635 1.00 1.54 C ATOM 1134 OG1 THR A 101 -17.483 5.844 -1.257 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.186 8.170 -0.662 1.00 2.05 C ATOM 0 H THR A 101 -15.644 4.661 -1.098 1.00 1.46 H new ATOM 0 HA THR A 101 -15.530 7.170 -2.250 1.00 1.40 H new ATOM 0 HB THR A 101 -16.414 6.503 0.408 1.00 1.54 H new ATOM 0 HG1 THR A 101 -18.347 5.870 -0.796 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.143 8.161 -0.140 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.511 8.870 -0.170 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.340 8.480 -1.696 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.783 8.579 -1.096 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.629 9.329 -0.592 1.00 1.00 C ATOM 1145 C PRO A 102 -12.399 9.212 0.914 1.00 0.92 C ATOM 1146 O PRO A 102 -12.988 9.947 1.710 1.00 1.15 O ATOM 1147 CB PRO A 102 -12.998 10.753 -0.989 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.789 10.610 -2.261 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.216 9.159 -2.372 1.00 1.44 C ATOM 0 HA PRO A 102 -11.689 8.958 -1.000 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.586 11.240 -0.211 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.108 11.363 -1.144 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.660 11.266 -2.247 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.186 10.899 -3.122 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.293 9.067 -2.510 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -13.742 8.664 -3.220 1.00 1.44 H new ATOM 1157 N THR A 103 -11.565 8.249 1.296 1.00 0.73 N ATOM 1158 CA THR A 103 -11.266 8.007 2.702 1.00 0.70 C ATOM 1159 C THR A 103 -9.867 8.512 3.065 1.00 0.58 C ATOM 1160 O THR A 103 -8.949 8.471 2.244 1.00 0.54 O ATOM 1161 CB THR A 103 -11.367 6.717 2.990 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.633 6.223 2.532 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.236 6.441 4.483 1.00 1.40 C ATOM 0 H THR A 103 -11.084 7.623 0.650 1.00 0.73 H new ATOM 0 HA THR A 103 -11.998 8.559 3.292 1.00 0.70 H new ATOM 0 HB THR A 103 -10.546 6.207 2.485 1.00 0.81 H new ATOM 0 HG1 THR A 103 -13.149 6.959 2.141 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.326 5.370 4.664 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.264 6.788 4.833 1.00 1.40 H new ATOM 0 HG23 THR A 103 -12.024 6.968 5.021 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.728 9.027 4.280 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.462 9.551 4.760 1.00 0.59 C ATOM 1173 C LYS A 104 -7.807 8.564 5.717 1.00 0.58 C ATOM 1174 O LYS A 104 -8.360 8.245 6.773 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.685 10.882 5.479 1.00 0.75 C ATOM 1176 CG LYS A 104 -7.446 11.404 6.187 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.784 12.518 7.160 1.00 1.90 C ATOM 1178 CE LYS A 104 -6.567 12.926 7.972 1.00 2.46 C ATOM 1179 NZ LYS A 104 -5.542 13.614 7.143 1.00 3.08 N ATOM 0 H LYS A 104 -10.489 9.092 4.956 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.806 9.706 3.903 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -9.020 11.625 4.755 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -9.487 10.762 6.208 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -6.962 10.588 6.722 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -6.732 11.769 5.449 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -8.165 13.380 6.612 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -8.579 12.190 7.830 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -6.878 13.585 8.783 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -6.126 12.041 8.431 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -4.745 13.904 7.746 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -5.200 12.966 6.405 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -5.963 14.454 6.698 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.636 8.073 5.345 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.892 7.166 6.202 1.00 0.47 C ATOM 1195 C VAL A 105 -4.463 7.650 6.398 1.00 0.40 C ATOM 1196 O VAL A 105 -3.994 8.545 5.693 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.857 5.923 5.726 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.250 5.305 5.699 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.222 5.865 4.345 1.00 0.94 C ATOM 0 H VAL A 105 -6.181 8.287 4.457 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.420 7.156 7.155 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.234 5.339 6.403 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.190 4.290 5.306 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.656 5.279 6.710 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.901 5.903 5.062 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.212 4.834 3.992 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.798 6.480 3.654 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.200 6.240 4.399 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.794 7.087 7.385 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.378 7.314 7.582 1.00 0.42 C ATOM 1211 C LYS A 106 -1.644 6.069 7.122 1.00 0.40 C ATOM 1212 O LYS A 106 -2.001 4.958 7.518 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.067 7.595 9.057 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.684 8.187 9.286 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.265 8.117 10.750 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.233 8.840 11.678 1.00 1.56 C ATOM 1217 NZ LYS A 106 -1.330 10.297 11.390 1.00 1.69 N ATOM 0 H LYS A 106 -4.216 6.461 8.071 1.00 0.43 H new ATOM 0 HA LYS A 106 -2.059 8.185 7.009 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.816 8.280 9.454 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.154 6.666 9.621 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.044 7.653 8.675 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.676 9.226 8.956 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -0.191 7.072 11.052 1.00 0.83 H new ATOM 0 HD3 LYS A 106 0.729 8.551 10.860 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -2.221 8.390 11.586 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -0.913 8.699 12.710 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -1.413 10.823 12.283 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.477 10.608 10.883 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -2.168 10.480 10.802 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.639 6.236 6.284 1.00 0.37 N ATOM 1232 CA VAL A 107 0.042 5.104 5.719 1.00 0.42 C ATOM 1233 C VAL A 107 1.473 5.048 6.228 1.00 0.40 C ATOM 1234 O VAL A 107 2.190 6.054 6.255 1.00 0.54 O ATOM 1235 CB VAL A 107 -0.011 5.105 4.385 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.562 6.387 3.795 1.00 1.26 C ATOM 1237 CG2 VAL A 107 0.680 3.890 3.796 1.00 1.27 C ATOM 0 H VAL A 107 -0.283 7.144 5.985 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.472 4.200 6.045 1.00 0.42 H new ATOM 0 HB VAL A 107 -1.066 5.057 4.114 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.500 6.347 2.708 1.00 1.26 H new ATOM 0 HG12 VAL A 107 -0.008 7.242 4.160 1.00 1.26 H new ATOM 0 HG13 VAL A 107 1.605 6.491 4.095 1.00 1.26 H new ATOM 0 HG21 VAL A 107 0.616 3.926 2.709 1.00 1.27 H new ATOM 0 HG22 VAL A 107 1.727 3.885 4.098 1.00 1.27 H new ATOM 0 HG23 VAL A 107 0.194 2.984 4.158 1.00 1.27 H new ATOM 1247 N HIS A 108 1.847 3.890 6.725 1.00 0.34 N ATOM 1248 CA HIS A 108 3.179 3.687 7.237 1.00 0.34 C ATOM 1249 C HIS A 108 3.973 2.859 6.241 1.00 0.32 C ATOM 1250 O HIS A 108 3.643 1.705 5.981 1.00 0.44 O ATOM 1251 CB HIS A 108 3.128 2.990 8.602 1.00 0.45 C ATOM 1252 CG HIS A 108 4.455 2.915 9.301 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.580 3.653 9.149 1.00 0.97 N flip ATOM 1254 CD2 HIS A 108 4.728 2.010 10.303 1.00 0.54 C flip ATOM 1255 CE1 HIS A 108 6.500 3.184 10.050 1.00 1.02 C flip ATOM 1256 NE2 HIS A 108 5.962 2.192 10.734 1.00 0.68 N flip ATOM 0 H HIS A 108 1.241 3.071 6.784 1.00 0.34 H new ATOM 0 HA HIS A 108 3.668 4.652 7.373 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.422 3.519 9.242 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.742 1.979 8.468 1.00 0.45 H new ATOM 0 HD1 HIS A 108 5.717 4.416 8.487 1.00 0.97 H new ATOM 0 HD2 HIS A 108 4.039 1.267 10.678 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.502 3.564 10.179 1.00 1.02 H new ATOM 1265 N MET A 109 4.999 3.468 5.683 1.00 0.30 N ATOM 1266 CA MET A 109 5.867 2.801 4.720 1.00 0.39 C ATOM 1267 C MET A 109 7.158 2.416 5.422 1.00 0.34 C ATOM 1268 O MET A 109 7.779 3.257 6.064 1.00 0.45 O ATOM 1269 CB MET A 109 6.164 3.749 3.549 1.00 0.65 C ATOM 1270 CG MET A 109 7.033 3.166 2.439 1.00 0.87 C ATOM 1271 SD MET A 109 7.708 4.442 1.360 1.00 2.22 S ATOM 1272 CE MET A 109 8.726 5.363 2.508 1.00 2.49 C ATOM 0 H MET A 109 5.258 4.435 5.879 1.00 0.30 H new ATOM 0 HA MET A 109 5.380 1.908 4.328 1.00 0.39 H new ATOM 0 HB2 MET A 109 5.217 4.071 3.115 1.00 0.65 H new ATOM 0 HB3 MET A 109 6.654 4.640 3.941 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.851 2.597 2.881 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.442 2.467 1.847 1.00 0.87 H new ATOM 0 HE1 MET A 109 8.403 6.404 2.527 1.00 2.49 H new ATOM 0 HE2 MET A 109 8.628 4.935 3.505 1.00 2.49 H new ATOM 0 HE3 MET A 109 9.768 5.312 2.192 1.00 2.49 H new ATOM 1282 N LYS A 110 7.544 1.150 5.331 1.00 0.32 N ATOM 1283 CA LYS A 110 8.730 0.672 6.038 1.00 0.35 C ATOM 1284 C LYS A 110 9.311 -0.540 5.326 1.00 0.32 C ATOM 1285 O LYS A 110 8.571 -1.381 4.838 1.00 0.45 O ATOM 1286 CB LYS A 110 8.395 0.319 7.495 1.00 0.50 C ATOM 1287 CG LYS A 110 7.260 -0.682 7.646 1.00 0.97 C ATOM 1288 CD LYS A 110 7.042 -1.073 9.100 1.00 0.91 C ATOM 1289 CE LYS A 110 8.196 -1.903 9.641 1.00 1.31 C ATOM 1290 NZ LYS A 110 8.020 -2.225 11.084 1.00 1.57 N ATOM 0 H LYS A 110 7.060 0.440 4.781 1.00 0.32 H new ATOM 0 HA LYS A 110 9.471 1.472 6.042 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.287 -0.084 7.974 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.132 1.233 8.028 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.342 -0.254 7.243 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.481 -1.573 7.059 1.00 0.97 H new ATOM 0 HD2 LYS A 110 6.926 -0.174 9.705 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.114 -1.639 9.189 1.00 0.91 H new ATOM 0 HE2 LYS A 110 8.277 -2.828 9.070 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.131 -1.360 9.502 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 8.827 -2.791 11.414 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 7.968 -1.343 11.633 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 7.141 -2.766 11.214 1.00 1.57 H new ATOM 1304 N LYS A 111 10.628 -0.631 5.267 1.00 0.37 N ATOM 1305 CA LYS A 111 11.277 -1.698 4.517 1.00 0.38 C ATOM 1306 C LYS A 111 11.397 -2.967 5.349 1.00 0.43 C ATOM 1307 O LYS A 111 11.739 -2.923 6.532 1.00 0.60 O ATOM 1308 CB LYS A 111 12.677 -1.277 4.052 1.00 0.49 C ATOM 1309 CG LYS A 111 13.296 -2.269 3.076 1.00 0.56 C ATOM 1310 CD LYS A 111 14.814 -2.179 3.022 1.00 1.03 C ATOM 1311 CE LYS A 111 15.293 -0.904 2.353 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.758 -0.941 2.096 1.00 2.13 N ATOM 0 H LYS A 111 11.269 0.016 5.726 1.00 0.37 H new ATOM 0 HA LYS A 111 10.651 -1.897 3.647 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.619 -0.297 3.579 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.328 -1.174 4.920 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.007 -3.280 3.362 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.891 -2.091 2.080 1.00 0.56 H new ATOM 0 HD2 LYS A 111 15.215 -2.228 4.035 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.208 -3.040 2.482 1.00 1.03 H new ATOM 0 HE2 LYS A 111 14.761 -0.763 1.412 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.055 -0.048 2.985 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.036 -0.102 1.548 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 17.269 -0.948 3.002 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 16.995 -1.799 1.558 1.00 2.13 H new ATOM 1326 N ALA A 112 11.103 -4.089 4.718 1.00 0.44 N ATOM 1327 CA ALA A 112 11.372 -5.390 5.290 1.00 0.59 C ATOM 1328 C ALA A 112 12.454 -6.069 4.469 1.00 0.92 C ATOM 1329 O ALA A 112 12.757 -5.636 3.356 1.00 1.57 O ATOM 1330 CB ALA A 112 10.112 -6.241 5.311 1.00 0.96 C ATOM 0 H ALA A 112 10.671 -4.121 3.795 1.00 0.44 H new ATOM 0 HA ALA A 112 11.709 -5.270 6.320 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.338 -7.215 5.745 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.348 -5.745 5.910 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.746 -6.374 4.293 1.00 0.96 H new ATOM 1336 N LEU A 113 13.032 -7.129 4.995 1.00 1.01 N ATOM 1337 CA LEU A 113 14.088 -7.821 4.278 1.00 1.49 C ATOM 1338 C LEU A 113 13.605 -9.157 3.749 1.00 1.26 C ATOM 1339 O LEU A 113 14.377 -10.106 3.605 1.00 2.05 O ATOM 1340 CB LEU A 113 15.331 -7.997 5.143 1.00 2.52 C ATOM 1341 CG LEU A 113 15.111 -8.578 6.544 1.00 3.38 C ATOM 1342 CD1 LEU A 113 16.316 -9.402 6.965 1.00 3.91 C ATOM 1343 CD2 LEU A 113 14.876 -7.465 7.557 1.00 4.41 C ATOM 0 H LEU A 113 12.794 -7.528 5.903 1.00 1.01 H new ATOM 0 HA LEU A 113 14.364 -7.199 3.426 1.00 1.49 H new ATOM 0 HB2 LEU A 113 16.028 -8.644 4.611 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.814 -7.026 5.248 1.00 2.52 H new ATOM 0 HG LEU A 113 14.229 -9.218 6.512 1.00 3.38 H new ATOM 0 HD11 LEU A 113 16.148 -9.809 7.962 1.00 3.91 H new ATOM 0 HD12 LEU A 113 16.463 -10.219 6.259 1.00 3.91 H new ATOM 0 HD13 LEU A 113 17.203 -8.769 6.977 1.00 3.91 H new ATOM 0 HD21 LEU A 113 14.722 -7.899 8.545 1.00 4.41 H new ATOM 0 HD22 LEU A 113 15.744 -6.806 7.581 1.00 4.41 H new ATOM 0 HD23 LEU A 113 13.994 -6.893 7.271 1.00 4.41 H new ATOM 1355 N SER A 114 12.320 -9.215 3.453 1.00 1.21 N ATOM 1356 CA SER A 114 11.747 -10.351 2.756 1.00 1.56 C ATOM 1357 C SER A 114 12.127 -10.229 1.283 1.00 1.72 C ATOM 1358 O SER A 114 11.346 -9.743 0.458 1.00 2.36 O ATOM 1359 CB SER A 114 10.223 -10.373 2.933 1.00 2.13 C ATOM 1360 OG SER A 114 9.669 -11.617 2.541 1.00 2.55 O ATOM 0 H SER A 114 11.649 -8.483 3.686 1.00 1.21 H new ATOM 0 HA SER A 114 12.132 -11.286 3.163 1.00 1.56 H new ATOM 0 HB2 SER A 114 9.975 -10.176 3.976 1.00 2.13 H new ATOM 0 HB3 SER A 114 9.776 -9.573 2.343 1.00 2.13 H new ATOM 0 HG SER A 114 8.729 -11.657 2.814 1.00 2.55 H new ATOM 1366 N GLY A 115 13.357 -10.624 0.974 1.00 1.73 N ATOM 1367 CA GLY A 115 13.935 -10.308 -0.314 1.00 2.05 C ATOM 1368 C GLY A 115 14.233 -8.824 -0.402 1.00 1.87 C ATOM 1369 O GLY A 115 15.323 -8.375 -0.044 1.00 2.62 O ATOM 0 H GLY A 115 13.964 -11.159 1.596 1.00 1.73 H new ATOM 0 HA2 GLY A 115 14.851 -10.880 -0.460 1.00 2.05 H new ATOM 0 HA3 GLY A 115 13.249 -10.597 -1.110 1.00 2.05 H new ATOM 1373 N ASP A 116 13.239 -8.077 -0.846 1.00 1.38 N ATOM 1374 CA ASP A 116 13.260 -6.620 -0.827 1.00 1.29 C ATOM 1375 C ASP A 116 11.841 -6.123 -1.021 1.00 1.01 C ATOM 1376 O ASP A 116 11.402 -5.863 -2.139 1.00 1.32 O ATOM 1377 CB ASP A 116 14.185 -6.027 -1.902 1.00 1.58 C ATOM 1378 CG ASP A 116 14.301 -4.508 -1.803 1.00 2.09 C ATOM 1379 OD1 ASP A 116 13.469 -3.794 -2.402 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.237 -4.016 -1.136 1.00 2.42 O ATOM 0 H ASP A 116 12.381 -8.467 -1.236 1.00 1.38 H new ATOM 0 HA ASP A 116 13.658 -6.293 0.133 1.00 1.29 H new ATOM 0 HB2 ASP A 116 15.176 -6.470 -1.808 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.808 -6.295 -2.889 1.00 1.58 H new ATOM 1385 N SER A 117 11.102 -6.068 0.067 1.00 0.60 N ATOM 1386 CA SER A 117 9.733 -5.618 0.032 1.00 0.36 C ATOM 1387 C SER A 117 9.409 -4.889 1.323 1.00 0.34 C ATOM 1388 O SER A 117 10.019 -5.147 2.357 1.00 0.54 O ATOM 1389 CB SER A 117 8.772 -6.790 -0.212 1.00 0.35 C ATOM 1390 OG SER A 117 9.123 -7.916 0.580 1.00 1.07 O ATOM 0 H SER A 117 11.434 -6.333 0.994 1.00 0.60 H new ATOM 0 HA SER A 117 9.605 -4.926 -0.800 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.753 -6.482 0.021 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.789 -7.064 -1.267 1.00 0.35 H new ATOM 0 HG SER A 117 9.940 -8.324 0.225 1.00 1.07 H new ATOM 1396 N TYR A 118 8.474 -3.966 1.258 1.00 0.22 N ATOM 1397 CA TYR A 118 8.211 -3.064 2.339 1.00 0.24 C ATOM 1398 C TYR A 118 6.814 -3.309 2.865 1.00 0.24 C ATOM 1399 O TYR A 118 5.961 -3.848 2.157 1.00 0.26 O ATOM 1400 CB TYR A 118 8.359 -1.633 1.814 1.00 0.30 C ATOM 1401 CG TYR A 118 9.376 -1.554 0.698 1.00 0.32 C ATOM 1402 CD1 TYR A 118 8.986 -1.240 -0.594 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.727 -1.738 0.948 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.912 -1.109 -1.607 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.661 -1.618 -0.063 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.238 -1.518 -1.362 1.00 0.67 C ATOM 1407 OH TYR A 118 12.173 -1.161 -2.347 1.00 0.86 O ATOM 0 H TYR A 118 7.875 -3.826 0.444 1.00 0.22 H new ATOM 0 HA TYR A 118 8.913 -3.220 3.158 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.394 -1.275 1.454 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.660 -0.975 2.629 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.938 -1.095 -0.811 1.00 0.42 H new ATOM 0 HD2 TYR A 118 11.055 -1.979 1.949 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.628 -0.702 -2.566 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.716 -1.603 0.169 1.00 0.72 H new ATOM 0 HH TYR A 118 12.762 -1.923 -2.530 1.00 0.86 H new ATOM 1417 N TRP A 119 6.580 -2.902 4.085 1.00 0.27 N ATOM 1418 CA TRP A 119 5.289 -3.064 4.696 1.00 0.30 C ATOM 1419 C TRP A 119 4.556 -1.744 4.652 1.00 0.33 C ATOM 1420 O TRP A 119 4.941 -0.780 5.315 1.00 0.38 O ATOM 1421 CB TRP A 119 5.430 -3.537 6.142 1.00 0.36 C ATOM 1422 CG TRP A 119 5.741 -4.995 6.278 1.00 0.38 C ATOM 1423 CD1 TRP A 119 6.948 -5.552 6.578 1.00 0.48 C ATOM 1424 CD2 TRP A 119 4.822 -6.083 6.124 1.00 0.42 C ATOM 1425 NE1 TRP A 119 6.837 -6.920 6.627 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.542 -7.271 6.347 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.460 -6.167 5.820 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.946 -8.527 6.279 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.869 -7.414 5.748 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.612 -8.581 5.975 1.00 0.62 C ATOM 0 H TRP A 119 7.276 -2.451 4.680 1.00 0.27 H new ATOM 0 HA TRP A 119 4.726 -3.819 4.147 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.218 -2.961 6.627 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.504 -3.322 6.676 1.00 0.36 H new ATOM 0 HD1 TRP A 119 7.859 -4.998 6.752 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.595 -7.569 6.838 1.00 0.52 H new ATOM 0 HE3 TRP A 119 2.880 -5.273 5.645 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.515 -9.427 6.460 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.818 -7.491 5.513 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.123 -9.541 5.909 1.00 0.62 H new ATOM 1441 N VAL A 120 3.529 -1.699 3.832 1.00 0.33 N ATOM 1442 CA VAL A 120 2.713 -0.516 3.710 1.00 0.37 C ATOM 1443 C VAL A 120 1.393 -0.705 4.476 1.00 0.40 C ATOM 1444 O VAL A 120 0.542 -1.525 4.121 1.00 0.55 O ATOM 1445 CB VAL A 120 2.523 -0.208 2.422 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.920 -1.366 1.635 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.684 1.046 2.261 1.00 0.91 C ATOM 0 H VAL A 120 3.240 -2.475 3.237 1.00 0.33 H new ATOM 0 HA VAL A 120 3.229 0.331 4.162 1.00 0.37 H new ATOM 0 HB VAL A 120 3.510 -0.008 2.005 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.785 -1.068 0.595 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.589 -2.225 1.682 1.00 0.90 H new ATOM 0 HG13 VAL A 120 0.955 -1.634 2.064 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.553 1.262 1.201 1.00 0.91 H new ATOM 0 HG22 VAL A 120 0.709 0.893 2.724 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.187 1.885 2.743 1.00 0.91 H new ATOM 1457 N PHE A 121 1.259 0.033 5.568 1.00 0.39 N ATOM 1458 CA PHE A 121 0.115 -0.120 6.458 1.00 0.41 C ATOM 1459 C PHE A 121 -0.879 1.011 6.272 1.00 0.41 C ATOM 1460 O PHE A 121 -0.513 2.184 6.328 1.00 0.49 O ATOM 1461 CB PHE A 121 0.568 -0.147 7.921 1.00 0.48 C ATOM 1462 CG PHE A 121 1.502 -1.271 8.257 1.00 0.53 C ATOM 1463 CD1 PHE A 121 2.864 -1.047 8.349 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.019 -2.550 8.470 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.730 -2.080 8.649 1.00 0.65 C ATOM 1466 CE2 PHE A 121 1.879 -3.587 8.771 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.227 -3.349 8.899 1.00 0.73 C ATOM 0 H PHE A 121 1.928 0.745 5.860 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.368 -1.064 6.206 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.057 0.799 8.155 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.312 -0.218 8.560 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.254 -0.054 8.184 1.00 0.56 H new ATOM 0 HD2 PHE A 121 -0.042 -2.739 8.400 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.794 -1.901 8.689 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.492 -4.586 8.906 1.00 0.79 H new ATOM 0 HZ PHE A 121 3.892 -4.147 9.193 1.00 0.73 H new ATOM 1477 N VAL A 122 -2.134 0.654 6.056 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.200 1.634 5.949 1.00 0.51 C ATOM 1479 C VAL A 122 -4.048 1.665 7.221 1.00 0.54 C ATOM 1480 O VAL A 122 -4.853 0.766 7.489 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.970 1.433 4.883 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -3.280 1.960 3.630 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -4.333 -0.036 4.701 1.00 1.16 C ATOM 0 H VAL A 122 -2.440 -0.313 5.951 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.719 2.604 5.823 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.899 1.980 5.047 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.919 1.790 2.764 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -3.093 3.028 3.739 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -2.333 1.439 3.490 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.962 -0.149 3.818 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.423 -0.623 4.575 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.874 -0.389 5.579 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.841 2.702 8.017 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.574 2.889 9.259 1.00 0.66 C ATOM 1495 C LYS A 123 -5.363 4.191 9.205 1.00 0.55 C ATOM 1496 O LYS A 123 -4.784 5.262 9.038 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.597 2.893 10.447 1.00 0.93 C ATOM 1498 CG LYS A 123 -4.175 3.468 11.734 1.00 1.36 C ATOM 1499 CD LYS A 123 -5.364 2.671 12.240 1.00 1.80 C ATOM 1500 CE LYS A 123 -6.016 3.358 13.428 1.00 2.62 C ATOM 1501 NZ LYS A 123 -7.248 2.658 13.864 1.00 3.31 N ATOM 0 H LYS A 123 -3.161 3.437 7.821 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.276 2.066 9.391 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -3.269 1.871 10.635 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -2.712 3.467 10.172 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -3.400 3.487 12.501 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -4.479 4.501 11.563 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -6.094 2.552 11.439 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -5.040 1.671 12.527 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -5.309 3.399 14.257 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -6.258 4.388 13.164 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -7.662 3.158 14.676 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -7.933 2.641 13.082 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -7.014 1.683 14.140 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.681 4.102 9.326 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.515 5.293 9.270 1.00 0.76 C ATOM 1517 C ARG A 124 -7.294 6.162 10.498 1.00 0.85 C ATOM 1518 O ARG A 124 -7.228 5.665 11.623 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.999 4.944 9.151 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.873 6.183 9.024 1.00 1.58 C ATOM 1521 CD ARG A 124 -11.353 5.858 8.977 1.00 2.10 C ATOM 1522 NE ARG A 124 -12.151 7.075 8.834 1.00 2.55 N ATOM 1523 CZ ARG A 124 -13.481 7.111 8.832 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -14.185 5.999 8.980 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -14.112 8.273 8.691 1.00 4.03 N ATOM 0 H ARG A 124 -7.190 3.228 9.462 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.222 5.845 8.377 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.151 4.304 8.282 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.307 4.372 10.026 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.678 6.847 9.866 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.596 6.726 8.120 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.555 5.186 8.143 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.643 5.333 9.887 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.653 7.959 8.728 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.708 5.105 9.097 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -15.204 6.037 8.977 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.576 9.135 8.585 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -15.132 8.303 8.689 1.00 4.03 H new ATOM 1539 N VAL A 125 -7.173 7.456 10.269 1.00 1.06 N ATOM 1540 CA VAL A 125 -6.994 8.410 11.343 1.00 1.33 C ATOM 1541 C VAL A 125 -8.239 9.268 11.516 1.00 2.00 C ATOM 1542 O VAL A 125 -8.872 9.180 12.585 1.00 2.87 O ATOM 1543 CB VAL A 125 -5.926 9.178 11.158 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -4.667 8.422 11.558 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -5.810 9.666 9.717 1.00 2.08 C ATOM 1546 OXT VAL A 125 -8.606 10.000 10.575 1.00 2.26 O ATOM 0 H VAL A 125 -7.196 7.872 9.338 1.00 1.06 H new ATOM 0 HA VAL A 125 -6.830 7.836 12.255 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.042 10.058 11.790 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -3.796 9.059 11.403 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -4.730 8.142 12.609 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -4.573 7.524 10.948 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -4.922 10.290 9.615 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -5.731 8.809 9.048 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -6.694 10.248 9.458 1.00 2.08 H new