USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=24 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 76 TYR OH : rot -132:sc= 2.02 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -164:sc= 0.871 (180deg=-0.195) USER MOD Set 2.1: A 69 CYS SG : rot -9:sc= 0.683 USER MOD Set 2.2: A 70 THR OG1 : rot -140:sc= 0.13 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.0431! C(o=2!,f=-4.6!) USER MOD Set 3.2: A 41 GLN : amide:sc= 0.989 K(o=2,f=-0.78) USER MOD Set 3.3: A 114 SER OG : rot -87:sc= 0.533 USER MOD Set 3.4: A 117 SER OG : rot -140:sc= 0.508 USER MOD Single : A 38 ASN : amide:sc= 0.645 K(o=0.65,f=-0.62) USER MOD Single : A 42 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 43 ASN : amide:sc= -3.1! C(o=-3.1!,f=-14!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.22) USER MOD Single : A 60 LYS NZ :NH3+ -128:sc= 0.425 (180deg=-0.61) USER MOD Single : A 61 ASN : amide:sc= 0.0471 K(o=0.047,f=-0.95) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -7:sc= 1.05 USER MOD Single : A 78 LYS NZ :NH3+ -101:sc= 1.28 (180deg=0.258) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.8!) USER MOD Single : A 89 ASN : amide:sc= 0.186 K(o=0.19,f=-0.37) USER MOD Single : A 90 THR OG1 : rot 153:sc= 1.18 USER MOD Single : A 91 MET CE :methyl 164:sc= -0.0663 (180deg=-0.416) USER MOD Single : A 94 TYR OH : rot -143:sc= 1.26 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= -0.774 X(o=-0.77,f=-0.38) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0.137 (180deg=0.127) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 109 MET CE :methyl -155:sc= -1.85 (180deg=-3.78!) USER MOD Single : A 110 LYS NZ :NH3+ -136:sc= -1.4 (180deg=-3.77!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -1.15! USER MOD Single : A 123 LYS NZ :NH3+ -164:sc= 1.12 (180deg=0.881) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -5.502 -4.374 12.271 1.00 1.27 N ATOM 31 CA PHE A 28 -4.645 -3.431 11.531 1.00 1.21 C ATOM 32 C PHE A 28 -4.202 -3.957 10.166 1.00 0.94 C ATOM 33 O PHE A 28 -3.997 -5.162 9.977 1.00 0.94 O ATOM 34 CB PHE A 28 -3.402 -3.093 12.356 1.00 1.52 C ATOM 35 CG PHE A 28 -3.519 -1.818 13.138 1.00 1.96 C ATOM 36 CD1 PHE A 28 -2.973 -0.642 12.649 1.00 2.75 C ATOM 37 CD2 PHE A 28 -4.168 -1.793 14.358 1.00 2.12 C ATOM 38 CE1 PHE A 28 -3.073 0.534 13.367 1.00 3.75 C ATOM 39 CE2 PHE A 28 -4.272 -0.620 15.079 1.00 2.99 C ATOM 40 CZ PHE A 28 -3.722 0.545 14.583 1.00 3.85 C ATOM 0 HA PHE A 28 -5.252 -2.542 11.358 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.201 -3.913 13.045 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -2.544 -3.021 11.688 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -2.464 -0.645 11.697 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.599 -2.702 14.752 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -2.643 1.444 12.976 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -4.783 -0.614 16.030 1.00 2.99 H new ATOM 0 HZ PHE A 28 -3.800 1.463 15.146 1.00 3.85 H new ATOM 50 N GLY A 29 -3.981 -3.033 9.241 1.00 0.85 N ATOM 51 CA GLY A 29 -3.715 -3.413 7.879 1.00 0.73 C ATOM 52 C GLY A 29 -2.249 -3.351 7.533 1.00 0.63 C ATOM 53 O GLY A 29 -1.685 -2.274 7.351 1.00 0.69 O ATOM 0 H GLY A 29 -3.982 -2.028 9.415 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.081 -4.426 7.711 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.270 -2.758 7.208 1.00 0.73 H new ATOM 57 N ALA A 30 -1.636 -4.522 7.459 1.00 0.66 N ATOM 58 CA ALA A 30 -0.244 -4.644 7.073 1.00 0.59 C ATOM 59 C ALA A 30 -0.143 -5.320 5.715 1.00 0.56 C ATOM 60 O ALA A 30 -0.436 -6.509 5.578 1.00 0.65 O ATOM 61 CB ALA A 30 0.536 -5.425 8.120 1.00 0.71 C ATOM 0 H ALA A 30 -2.091 -5.412 7.665 1.00 0.66 H new ATOM 0 HA ALA A 30 0.191 -3.647 7.003 1.00 0.59 H new ATOM 0 HB1 ALA A 30 1.578 -5.506 7.812 1.00 0.71 H new ATOM 0 HB2 ALA A 30 0.480 -4.907 9.077 1.00 0.71 H new ATOM 0 HB3 ALA A 30 0.110 -6.423 8.222 1.00 0.71 H new ATOM 67 N ILE A 31 0.231 -4.553 4.711 1.00 0.49 N ATOM 68 CA ILE A 31 0.392 -5.075 3.371 1.00 0.53 C ATOM 69 C ILE A 31 1.881 -5.202 3.059 1.00 0.43 C ATOM 70 O ILE A 31 2.706 -4.527 3.674 1.00 0.49 O ATOM 71 CB ILE A 31 -0.196 -4.289 2.468 1.00 0.62 C ATOM 72 CG1 ILE A 31 -1.600 -3.879 2.921 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.273 -4.982 1.113 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.298 -2.937 1.961 1.00 0.96 C ATOM 0 H ILE A 31 0.431 -3.557 4.801 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.086 -6.053 3.321 1.00 0.53 H new ATOM 0 HB ILE A 31 0.413 -3.391 2.371 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.209 -4.775 3.044 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -1.532 -3.403 3.899 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.756 -4.321 0.393 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.733 -5.220 0.768 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.851 -5.901 1.207 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.287 -2.690 2.348 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -1.711 -2.024 1.856 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.398 -3.418 0.988 1.00 0.96 H new ATOM 86 N GLN A 32 2.236 -6.104 2.165 1.00 0.39 N ATOM 87 CA GLN A 32 3.615 -6.256 1.758 1.00 0.34 C ATOM 88 C GLN A 32 3.766 -5.854 0.296 1.00 0.33 C ATOM 89 O GLN A 32 3.259 -6.536 -0.596 1.00 0.36 O ATOM 90 CB GLN A 32 4.071 -7.697 1.986 1.00 0.37 C ATOM 91 CG GLN A 32 5.497 -7.970 1.547 1.00 0.53 C ATOM 92 CD GLN A 32 5.957 -9.370 1.907 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.153 -10.297 2.020 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.256 -9.539 2.062 1.00 0.86 N ATOM 0 H GLN A 32 1.586 -6.743 1.707 1.00 0.39 H new ATOM 0 HA GLN A 32 4.248 -5.603 2.359 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.976 -7.934 3.046 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.401 -8.368 1.448 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.575 -7.831 0.469 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.162 -7.242 2.011 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.889 -8.746 1.960 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.627 -10.463 2.284 1.00 0.86 H new ATOM 103 N LEU A 33 4.432 -4.730 0.061 1.00 0.38 N ATOM 104 CA LEU A 33 4.640 -4.233 -1.292 1.00 0.41 C ATOM 105 C LEU A 33 6.116 -4.328 -1.645 1.00 0.33 C ATOM 106 O LEU A 33 6.958 -4.218 -0.767 1.00 0.36 O ATOM 107 CB LEU A 33 4.190 -2.770 -1.426 1.00 0.56 C ATOM 108 CG LEU A 33 2.775 -2.449 -0.943 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.418 -1.008 -1.265 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.761 -3.402 -1.558 1.00 1.62 C ATOM 0 H LEU A 33 4.838 -4.145 0.792 1.00 0.38 H new ATOM 0 HA LEU A 33 4.044 -4.844 -1.971 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.890 -2.145 -0.872 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.267 -2.483 -2.475 1.00 0.56 H new ATOM 0 HG LEU A 33 2.747 -2.579 0.139 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.408 -0.796 -0.914 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.122 -0.339 -0.769 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.468 -0.853 -2.343 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.763 -3.153 -1.199 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.789 -3.312 -2.644 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.004 -4.426 -1.273 1.00 1.62 H new ATOM 122 N ASP A 34 6.439 -4.509 -2.914 1.00 0.33 N ATOM 123 CA ASP A 34 7.841 -4.586 -3.323 1.00 0.34 C ATOM 124 C ASP A 34 8.281 -3.279 -3.970 1.00 0.40 C ATOM 125 O ASP A 34 7.453 -2.409 -4.238 1.00 0.43 O ATOM 126 CB ASP A 34 8.115 -5.783 -4.254 1.00 0.38 C ATOM 127 CG ASP A 34 7.465 -5.684 -5.628 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.002 -4.592 -6.011 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.437 -6.708 -6.345 1.00 1.22 O ATOM 0 H ASP A 34 5.765 -4.605 -3.673 1.00 0.33 H new ATOM 0 HA ASP A 34 8.433 -4.747 -2.422 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.192 -5.886 -4.384 1.00 0.38 H new ATOM 0 HB3 ASP A 34 7.765 -6.693 -3.766 1.00 0.38 H new ATOM 134 N GLY A 35 9.586 -3.136 -4.184 1.00 0.47 N ATOM 135 CA GLY A 35 10.139 -1.901 -4.730 1.00 0.57 C ATOM 136 C GLY A 35 9.558 -1.509 -6.083 1.00 0.64 C ATOM 137 O GLY A 35 9.724 -0.371 -6.526 1.00 0.79 O ATOM 0 H GLY A 35 10.279 -3.859 -3.988 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.963 -1.091 -4.022 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.219 -2.010 -4.827 1.00 0.57 H new ATOM 141 N ASP A 36 8.876 -2.440 -6.736 1.00 0.58 N ATOM 142 CA ASP A 36 8.252 -2.169 -8.026 1.00 0.66 C ATOM 143 C ASP A 36 6.860 -1.583 -7.820 1.00 0.61 C ATOM 144 O ASP A 36 6.363 -0.808 -8.643 1.00 0.78 O ATOM 145 CB ASP A 36 8.157 -3.452 -8.857 1.00 0.69 C ATOM 146 CG ASP A 36 7.603 -3.206 -10.244 1.00 1.21 C ATOM 147 OD1 ASP A 36 6.382 -3.392 -10.441 1.00 1.95 O ATOM 148 OD2 ASP A 36 8.376 -2.821 -11.147 1.00 1.56 O ATOM 0 H ASP A 36 8.740 -3.391 -6.394 1.00 0.58 H new ATOM 0 HA ASP A 36 8.869 -1.449 -8.564 1.00 0.66 H new ATOM 0 HB2 ASP A 36 9.147 -3.902 -8.939 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.523 -4.171 -8.338 1.00 0.69 H new ATOM 153 N GLY A 37 6.243 -1.953 -6.708 1.00 0.51 N ATOM 154 CA GLY A 37 4.909 -1.489 -6.394 1.00 0.53 C ATOM 155 C GLY A 37 3.919 -2.631 -6.366 1.00 0.47 C ATOM 156 O GLY A 37 2.709 -2.418 -6.266 1.00 0.53 O ATOM 0 H GLY A 37 6.650 -2.575 -6.009 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.915 -0.987 -5.426 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.595 -0.752 -7.133 1.00 0.53 H new ATOM 160 N ASN A 38 4.441 -3.845 -6.456 1.00 0.40 N ATOM 161 CA ASN A 38 3.618 -5.045 -6.473 1.00 0.39 C ATOM 162 C ASN A 38 3.127 -5.377 -5.083 1.00 0.34 C ATOM 163 O ASN A 38 3.799 -5.099 -4.091 1.00 0.40 O ATOM 164 CB ASN A 38 4.411 -6.239 -6.996 1.00 0.44 C ATOM 165 CG ASN A 38 4.754 -6.138 -8.466 1.00 0.70 C ATOM 166 OD1 ASN A 38 3.954 -5.671 -9.280 1.00 1.30 O ATOM 167 ND2 ASN A 38 5.963 -6.546 -8.806 1.00 1.24 N ATOM 0 H ASN A 38 5.443 -4.026 -6.519 1.00 0.40 H new ATOM 0 HA ASN A 38 2.771 -4.847 -7.129 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.333 -6.333 -6.422 1.00 0.44 H new ATOM 0 HB3 ASN A 38 3.836 -7.149 -6.827 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.269 -6.481 -9.777 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.591 -6.926 -8.098 1.00 1.24 H new ATOM 174 N ILE A 39 1.955 -5.974 -5.019 1.00 0.32 N ATOM 175 CA ILE A 39 1.429 -6.472 -3.773 1.00 0.32 C ATOM 176 C ILE A 39 1.821 -7.937 -3.615 1.00 0.36 C ATOM 177 O ILE A 39 2.099 -8.619 -4.605 1.00 0.41 O ATOM 178 CB ILE A 39 0.110 -6.372 -3.724 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.369 -5.039 -4.296 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.377 -6.527 -2.290 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.873 -4.945 -4.421 1.00 0.89 C ATOM 0 H ILE A 39 1.347 -6.125 -5.824 1.00 0.32 H new ATOM 0 HA ILE A 39 1.846 -5.870 -2.966 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.308 -7.172 -4.335 1.00 0.37 H new ATOM 0 HG12 ILE A 39 -0.014 -4.230 -3.658 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.080 -4.891 -5.278 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.463 -6.443 -2.264 1.00 0.43 H new ATOM 0 HG22 ILE A 39 -0.079 -7.504 -1.908 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.063 -5.746 -1.670 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -2.144 -3.973 -4.834 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -2.233 -5.733 -5.082 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -2.328 -5.061 -3.437 1.00 0.89 H new ATOM 193 N LEU A 40 1.911 -8.398 -2.381 1.00 0.40 N ATOM 194 CA LEU A 40 2.196 -9.791 -2.108 1.00 0.49 C ATOM 195 C LEU A 40 1.092 -10.395 -1.258 1.00 0.56 C ATOM 196 O LEU A 40 0.283 -11.182 -1.738 1.00 0.73 O ATOM 197 CB LEU A 40 3.535 -9.919 -1.392 1.00 0.55 C ATOM 198 CG LEU A 40 4.744 -9.402 -2.186 1.00 0.59 C ATOM 199 CD1 LEU A 40 6.046 -9.770 -1.494 1.00 1.39 C ATOM 200 CD2 LEU A 40 4.722 -9.950 -3.604 1.00 1.45 C ATOM 0 H LEU A 40 1.790 -7.822 -1.548 1.00 0.40 H new ATOM 0 HA LEU A 40 2.247 -10.331 -3.053 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.479 -9.376 -0.448 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.701 -10.968 -1.147 1.00 0.55 H new ATOM 0 HG LEU A 40 4.680 -8.315 -2.232 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.887 -9.393 -2.076 1.00 1.39 H new ATOM 0 HD12 LEU A 40 6.066 -9.327 -0.498 1.00 1.39 H new ATOM 0 HD13 LEU A 40 6.120 -10.854 -1.411 1.00 1.39 H new ATOM 0 HD21 LEU A 40 5.585 -9.574 -4.153 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.757 -11.039 -3.574 1.00 1.45 H new ATOM 0 HD23 LEU A 40 3.807 -9.630 -4.103 1.00 1.45 H new ATOM 212 N GLN A 41 1.052 -10.005 0.004 1.00 0.59 N ATOM 213 CA GLN A 41 0.038 -10.505 0.910 1.00 0.73 C ATOM 214 C GLN A 41 -0.716 -9.364 1.571 1.00 0.61 C ATOM 215 O GLN A 41 -0.130 -8.360 1.983 1.00 0.60 O ATOM 216 CB GLN A 41 0.655 -11.420 1.969 1.00 0.99 C ATOM 217 CG GLN A 41 1.881 -10.838 2.651 1.00 0.88 C ATOM 218 CD GLN A 41 2.397 -11.727 3.765 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.624 -12.418 4.430 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.705 -11.737 3.965 1.00 1.30 N ATOM 0 H GLN A 41 1.709 -9.346 0.422 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.672 -11.087 0.323 1.00 0.73 H new ATOM 0 HB2 GLN A 41 -0.098 -11.642 2.725 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.927 -12.367 1.502 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.669 -10.691 1.912 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.637 -9.856 3.057 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.313 -11.150 3.393 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.105 -12.331 4.691 1.00 1.30 H new ATOM 229 N TYR A 42 -2.026 -9.523 1.631 1.00 0.68 N ATOM 230 CA TYR A 42 -2.900 -8.572 2.296 1.00 0.69 C ATOM 231 C TYR A 42 -3.161 -8.986 3.736 1.00 0.78 C ATOM 232 O TYR A 42 -2.614 -9.974 4.231 1.00 1.25 O ATOM 233 CB TYR A 42 -4.238 -8.460 1.558 1.00 0.78 C ATOM 234 CG TYR A 42 -4.284 -7.419 0.463 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.471 -7.070 -0.174 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.115 -6.798 0.052 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.479 -6.132 -1.189 1.00 0.80 C ATOM 238 CE2 TYR A 42 -3.120 -5.858 -0.956 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.434 -5.483 -1.525 1.00 0.63 C ATOM 240 OH TYR A 42 -4.305 -4.599 -2.588 1.00 0.71 O ATOM 0 H TYR A 42 -2.515 -10.317 1.219 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.398 -7.605 2.288 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.478 -9.431 1.125 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -5.018 -8.234 2.285 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.396 -7.537 0.128 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.182 -7.056 0.531 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.402 -5.942 -1.716 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.204 -5.414 -1.316 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.904 -3.763 -2.271 1.00 0.71 H new ATOM 250 N ASN A 43 -4.012 -8.221 4.388 1.00 0.89 N ATOM 251 CA ASN A 43 -4.374 -8.453 5.771 1.00 0.95 C ATOM 252 C ASN A 43 -5.894 -8.571 5.895 1.00 1.08 C ATOM 253 O ASN A 43 -6.594 -8.665 4.886 1.00 1.63 O ATOM 254 CB ASN A 43 -3.867 -7.292 6.613 1.00 0.96 C ATOM 255 CG ASN A 43 -4.428 -5.977 6.122 1.00 1.38 C ATOM 256 OD1 ASN A 43 -5.488 -5.558 6.556 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.728 -5.323 5.210 1.00 1.66 N ATOM 0 H ASN A 43 -4.476 -7.414 3.970 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.924 -9.381 6.122 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -4.148 -7.444 7.655 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -2.778 -7.262 6.578 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.071 -4.435 4.844 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -2.845 -5.707 4.872 1.00 1.66 H new ATOM 264 N ALA A 44 -6.401 -8.538 7.123 1.00 1.12 N ATOM 265 CA ALA A 44 -7.829 -8.725 7.368 1.00 1.23 C ATOM 266 C ALA A 44 -8.639 -7.471 7.041 1.00 1.22 C ATOM 267 O ALA A 44 -9.813 -7.560 6.675 1.00 1.39 O ATOM 268 CB ALA A 44 -8.062 -9.140 8.811 1.00 1.48 C ATOM 0 H ALA A 44 -5.846 -8.384 7.965 1.00 1.12 H new ATOM 0 HA ALA A 44 -8.174 -9.516 6.702 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -9.130 -9.277 8.982 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.540 -10.076 9.009 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.684 -8.365 9.478 1.00 1.48 H new ATOM 274 N ALA A 45 -8.010 -6.307 7.163 1.00 1.21 N ATOM 275 CA ALA A 45 -8.690 -5.034 6.941 1.00 1.34 C ATOM 276 C ALA A 45 -9.054 -4.843 5.473 1.00 1.26 C ATOM 277 O ALA A 45 -10.162 -4.412 5.153 1.00 1.38 O ATOM 278 CB ALA A 45 -7.826 -3.879 7.421 1.00 1.52 C ATOM 0 H ALA A 45 -7.026 -6.218 7.416 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.615 -5.049 7.517 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.348 -2.938 7.248 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.626 -3.993 8.486 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.884 -3.877 6.873 1.00 1.52 H new ATOM 284 N GLU A 46 -8.122 -5.166 4.581 1.00 1.18 N ATOM 285 CA GLU A 46 -8.374 -5.043 3.152 1.00 1.23 C ATOM 286 C GLU A 46 -9.443 -6.034 2.708 1.00 1.20 C ATOM 287 O GLU A 46 -10.260 -5.728 1.843 1.00 1.42 O ATOM 288 CB GLU A 46 -7.083 -5.253 2.357 1.00 1.27 C ATOM 289 CG GLU A 46 -6.340 -3.962 2.034 1.00 1.10 C ATOM 290 CD GLU A 46 -6.103 -3.087 3.250 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.185 -3.387 4.045 1.00 2.12 O ATOM 292 OE2 GLU A 46 -6.927 -1.906 3.481 1.00 1.31 O ATOM 0 H GLU A 46 -7.193 -5.512 4.821 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.738 -4.035 2.955 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -6.422 -5.909 2.923 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.321 -5.767 1.426 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.381 -4.207 1.579 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -6.909 -3.398 1.295 1.00 1.10 H new ATOM 300 N GLY A 47 -9.450 -7.207 3.331 1.00 1.08 N ATOM 301 CA GLY A 47 -10.440 -8.225 3.011 1.00 1.18 C ATOM 302 C GLY A 47 -11.862 -7.771 3.287 1.00 1.25 C ATOM 303 O GLY A 47 -12.817 -8.319 2.735 1.00 1.42 O ATOM 0 H GLY A 47 -8.785 -7.474 4.056 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.348 -8.497 1.959 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -10.231 -9.123 3.592 1.00 1.18 H new ATOM 307 N ASP A 48 -12.004 -6.768 4.148 1.00 1.26 N ATOM 308 CA ASP A 48 -13.311 -6.197 4.462 1.00 1.49 C ATOM 309 C ASP A 48 -13.838 -5.390 3.279 1.00 1.53 C ATOM 310 O ASP A 48 -15.047 -5.287 3.063 1.00 1.74 O ATOM 311 CB ASP A 48 -13.215 -5.302 5.703 1.00 1.72 C ATOM 312 CG ASP A 48 -14.524 -4.609 6.026 1.00 2.01 C ATOM 313 OD1 ASP A 48 -14.622 -3.383 5.804 1.00 2.28 O ATOM 314 OD2 ASP A 48 -15.464 -5.287 6.497 1.00 2.35 O ATOM 0 H ASP A 48 -11.226 -6.332 4.643 1.00 1.26 H new ATOM 0 HA ASP A 48 -14.004 -7.013 4.667 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.907 -5.904 6.558 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -12.440 -4.552 5.546 1.00 1.72 H new ATOM 319 N ILE A 49 -12.914 -4.850 2.499 1.00 1.50 N ATOM 320 CA ILE A 49 -13.250 -3.993 1.378 1.00 1.74 C ATOM 321 C ILE A 49 -13.384 -4.830 0.113 1.00 1.73 C ATOM 322 O ILE A 49 -12.449 -4.959 -0.682 1.00 2.08 O ATOM 323 CB ILE A 49 -12.341 -3.057 1.207 1.00 1.98 C ATOM 324 CG1 ILE A 49 -12.039 -2.368 2.537 1.00 2.10 C ATOM 325 CG2 ILE A 49 -12.803 -2.043 0.157 1.00 2.43 C ATOM 326 CD1 ILE A 49 -11.141 -1.157 2.425 1.00 2.59 C ATOM 0 H ILE A 49 -11.912 -4.995 2.627 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.200 -3.504 1.592 1.00 1.74 H new ATOM 0 HB ILE A 49 -11.424 -3.521 0.844 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -12.980 -2.066 2.997 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -11.573 -3.090 3.208 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -12.038 -1.277 0.030 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -12.968 -2.552 -0.792 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -13.732 -1.577 0.485 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -10.979 -0.731 3.415 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -10.183 -1.453 1.996 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -11.612 -0.413 1.782 1.00 2.59 H new ATOM 338 N THR A 50 -14.562 -5.420 0.014 1.00 1.71 N ATOM 339 CA THR A 50 -15.050 -6.192 -1.129 1.00 1.95 C ATOM 340 C THR A 50 -14.185 -6.071 -2.390 1.00 1.90 C ATOM 341 O THR A 50 -14.166 -5.056 -3.095 1.00 2.37 O ATOM 342 CB THR A 50 -16.313 -5.860 -1.395 1.00 2.44 C ATOM 343 OG1 THR A 50 -16.786 -6.561 -2.554 1.00 3.41 O ATOM 344 CG2 THR A 50 -16.494 -4.354 -1.580 1.00 2.45 C ATOM 0 H THR A 50 -15.247 -5.374 0.769 1.00 1.71 H new ATOM 0 HA THR A 50 -14.988 -7.240 -0.835 1.00 1.95 H new ATOM 0 HB THR A 50 -16.906 -6.154 -0.529 1.00 2.44 H new ATOM 0 HG1 THR A 50 -17.715 -6.306 -2.734 1.00 3.41 H new ATOM 0 HG21 THR A 50 -17.540 -4.137 -1.795 1.00 2.45 H new ATOM 0 HG22 THR A 50 -16.196 -3.837 -0.668 1.00 2.45 H new ATOM 0 HG23 THR A 50 -15.875 -4.012 -2.410 1.00 2.45 H new ATOM 352 N GLY A 51 -13.454 -7.137 -2.649 1.00 1.87 N ATOM 353 CA GLY A 51 -12.654 -7.221 -3.853 1.00 2.32 C ATOM 354 C GLY A 51 -11.175 -7.255 -3.557 1.00 1.77 C ATOM 355 O GLY A 51 -10.347 -7.231 -4.468 1.00 2.08 O ATOM 0 H GLY A 51 -13.398 -7.955 -2.043 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.932 -8.116 -4.409 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -12.875 -6.367 -4.493 1.00 2.32 H new ATOM 359 N ARG A 52 -10.837 -7.285 -2.278 1.00 1.46 N ATOM 360 CA ARG A 52 -9.449 -7.349 -1.856 1.00 1.09 C ATOM 361 C ARG A 52 -9.161 -8.658 -1.136 1.00 1.03 C ATOM 362 O ARG A 52 -9.408 -8.785 0.061 1.00 1.29 O ATOM 363 CB ARG A 52 -9.103 -6.168 -0.944 1.00 1.22 C ATOM 364 CG ARG A 52 -8.647 -4.915 -1.677 1.00 1.55 C ATOM 365 CD ARG A 52 -9.710 -4.373 -2.615 1.00 1.67 C ATOM 366 NE ARG A 52 -9.209 -3.250 -3.399 1.00 1.96 N ATOM 367 CZ ARG A 52 -9.556 -3.003 -4.661 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.424 -3.791 -5.286 1.00 2.72 N ATOM 369 NH2 ARG A 52 -9.029 -1.962 -5.293 1.00 3.14 N ATOM 0 H ARG A 52 -11.509 -7.266 -1.511 1.00 1.46 H new ATOM 0 HA ARG A 52 -8.828 -7.297 -2.750 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -9.978 -5.923 -0.341 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -8.317 -6.476 -0.255 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.383 -4.148 -0.949 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -7.744 -5.139 -2.246 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -10.044 -5.165 -3.285 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.579 -4.056 -2.038 1.00 1.67 H new ATOM 0 HE ARG A 52 -8.550 -2.612 -2.952 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.829 -4.591 -4.799 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -10.685 -3.596 -6.252 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -8.363 -1.357 -4.812 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -9.290 -1.767 -6.259 1.00 3.14 H new ATOM 383 N ASP A 53 -8.665 -9.637 -1.879 1.00 0.94 N ATOM 384 CA ASP A 53 -8.283 -10.918 -1.297 1.00 1.00 C ATOM 385 C ASP A 53 -6.840 -10.876 -0.822 1.00 0.89 C ATOM 386 O ASP A 53 -6.006 -10.189 -1.412 1.00 0.82 O ATOM 387 CB ASP A 53 -8.455 -12.059 -2.300 1.00 1.18 C ATOM 388 CG ASP A 53 -9.904 -12.390 -2.570 1.00 1.55 C ATOM 389 OD1 ASP A 53 -10.532 -13.063 -1.729 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.429 -11.971 -3.625 1.00 2.10 O ATOM 0 H ASP A 53 -8.517 -9.570 -2.886 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.941 -11.101 -0.447 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -7.968 -11.789 -3.237 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.949 -12.947 -1.923 1.00 1.18 H new ATOM 395 N PRO A 54 -6.529 -11.619 0.249 1.00 1.02 N ATOM 396 CA PRO A 54 -5.200 -11.617 0.866 1.00 1.10 C ATOM 397 C PRO A 54 -4.078 -12.015 -0.093 1.00 1.03 C ATOM 398 O PRO A 54 -2.970 -11.493 0.000 1.00 1.68 O ATOM 399 CB PRO A 54 -5.321 -12.648 1.994 1.00 1.35 C ATOM 400 CG PRO A 54 -6.779 -12.734 2.276 1.00 1.43 C ATOM 401 CD PRO A 54 -7.460 -12.514 0.957 1.00 1.25 C ATOM 0 HA PRO A 54 -4.930 -10.616 1.201 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.919 -13.615 1.691 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.765 -12.335 2.878 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -7.040 -13.706 2.695 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -7.082 -11.981 3.004 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.608 -13.450 0.418 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -8.442 -12.058 1.081 1.00 1.25 H new ATOM 409 N LYS A 55 -4.353 -12.932 -1.012 1.00 0.89 N ATOM 410 CA LYS A 55 -3.302 -13.453 -1.880 1.00 0.96 C ATOM 411 C LYS A 55 -3.702 -13.456 -3.358 1.00 0.82 C ATOM 412 O LYS A 55 -3.093 -14.155 -4.168 1.00 0.92 O ATOM 413 CB LYS A 55 -2.911 -14.869 -1.450 1.00 1.26 C ATOM 414 CG LYS A 55 -2.336 -14.950 -0.043 1.00 1.53 C ATOM 415 CD LYS A 55 -1.802 -16.341 0.260 1.00 2.06 C ATOM 416 CE LYS A 55 -0.659 -16.710 -0.671 1.00 2.89 C ATOM 417 NZ LYS A 55 -0.112 -18.056 -0.372 1.00 3.61 N ATOM 0 H LYS A 55 -5.280 -13.326 -1.175 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.449 -12.783 -1.775 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -3.789 -15.512 -1.511 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -2.178 -15.263 -2.154 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -1.535 -14.219 0.067 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.107 -14.689 0.682 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -1.460 -16.384 1.294 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -2.605 -17.071 0.160 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -1.008 -16.682 -1.703 1.00 2.89 H new ATOM 0 HE3 LYS A 55 0.135 -15.968 -0.583 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 0.665 -18.269 -1.029 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 0.245 -18.077 0.605 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -0.862 -18.768 -0.481 1.00 3.61 H new ATOM 431 N GLN A 56 -4.698 -12.668 -3.722 1.00 0.72 N ATOM 432 CA GLN A 56 -5.091 -12.572 -5.125 1.00 0.73 C ATOM 433 C GLN A 56 -4.456 -11.355 -5.786 1.00 0.63 C ATOM 434 O GLN A 56 -4.772 -11.016 -6.926 1.00 0.79 O ATOM 435 CB GLN A 56 -6.611 -12.519 -5.265 1.00 0.87 C ATOM 436 CG GLN A 56 -7.296 -13.822 -4.897 1.00 1.32 C ATOM 437 CD GLN A 56 -6.871 -14.978 -5.781 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.468 -15.228 -6.825 1.00 2.50 O ATOM 439 NE2 GLN A 56 -5.847 -15.702 -5.364 1.00 2.41 N ATOM 0 H GLN A 56 -5.244 -12.092 -3.081 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.731 -13.467 -5.632 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.999 -11.722 -4.631 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.865 -12.261 -6.293 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.073 -14.064 -3.858 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.376 -13.693 -4.969 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -5.376 -15.464 -4.491 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -5.528 -16.499 -5.915 1.00 2.41 H new ATOM 448 N VAL A 57 -3.544 -10.710 -5.067 1.00 0.52 N ATOM 449 CA VAL A 57 -2.857 -9.530 -5.580 1.00 0.48 C ATOM 450 C VAL A 57 -1.347 -9.725 -5.619 1.00 0.55 C ATOM 451 O VAL A 57 -0.590 -8.769 -5.481 1.00 0.97 O ATOM 452 CB VAL A 57 -3.122 -8.448 -4.865 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.503 -7.903 -5.211 1.00 0.62 C ATOM 454 CG2 VAL A 57 -3.019 -8.730 -3.371 1.00 0.58 C ATOM 0 H VAL A 57 -3.263 -10.985 -4.126 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.232 -9.390 -6.594 1.00 0.48 H new ATOM 0 HB VAL A 57 -2.376 -7.694 -5.114 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.703 -7.014 -4.613 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.537 -7.644 -6.269 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -5.257 -8.661 -4.998 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -3.243 -7.821 -2.813 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.732 -9.508 -3.098 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -2.009 -9.063 -3.132 1.00 0.58 H new ATOM 464 N ILE A 58 -0.905 -10.961 -5.799 1.00 0.51 N ATOM 465 CA ILE A 58 0.522 -11.247 -5.790 1.00 0.57 C ATOM 466 C ILE A 58 1.139 -10.923 -7.142 1.00 0.57 C ATOM 467 O ILE A 58 0.557 -11.233 -8.183 1.00 0.66 O ATOM 468 CB ILE A 58 0.779 -12.514 -5.478 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.000 -12.946 -4.234 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.278 -12.717 -5.258 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.249 -14.384 -3.824 1.00 1.01 C ATOM 0 H ILE A 58 -1.504 -11.772 -5.951 1.00 0.51 H new ATOM 0 HA ILE A 58 0.966 -10.615 -5.021 1.00 0.57 H new ATOM 0 HB ILE A 58 0.457 -13.136 -6.313 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.266 -12.290 -3.405 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -1.066 -12.810 -4.419 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.471 -13.759 -5.004 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.818 -12.460 -6.170 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.616 -12.076 -4.444 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -0.338 -14.616 -2.935 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -0.044 -15.050 -4.636 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.308 -14.522 -3.606 1.00 1.01 H new ATOM 483 N GLY A 59 2.283 -10.241 -7.125 1.00 0.59 N ATOM 484 CA GLY A 59 2.926 -9.837 -8.357 1.00 0.66 C ATOM 485 C GLY A 59 2.055 -8.892 -9.142 1.00 0.56 C ATOM 486 O GLY A 59 2.101 -8.850 -10.372 1.00 0.65 O ATOM 0 H GLY A 59 2.774 -9.962 -6.275 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.878 -9.356 -8.133 1.00 0.66 H new ATOM 0 HA3 GLY A 59 3.148 -10.717 -8.960 1.00 0.66 H new ATOM 490 N LYS A 60 1.250 -8.141 -8.419 1.00 0.48 N ATOM 491 CA LYS A 60 0.308 -7.235 -9.021 1.00 0.45 C ATOM 492 C LYS A 60 0.495 -5.851 -8.450 1.00 0.38 C ATOM 493 O LYS A 60 0.465 -5.664 -7.239 1.00 0.43 O ATOM 494 CB LYS A 60 -1.104 -7.744 -8.787 1.00 0.49 C ATOM 495 CG LYS A 60 -1.714 -8.367 -10.031 1.00 0.80 C ATOM 496 CD LYS A 60 -2.860 -9.297 -9.693 1.00 1.12 C ATOM 497 CE LYS A 60 -2.354 -10.618 -9.135 1.00 1.27 C ATOM 498 NZ LYS A 60 -1.541 -11.363 -10.134 1.00 1.82 N ATOM 0 H LYS A 60 1.234 -8.145 -7.399 1.00 0.48 H new ATOM 0 HA LYS A 60 0.479 -7.181 -10.096 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.092 -8.481 -7.984 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.733 -6.919 -8.453 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -2.070 -7.579 -10.695 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -0.947 -8.919 -10.574 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.516 -8.820 -8.965 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.457 -9.482 -10.586 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -1.754 -10.431 -8.245 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -3.201 -11.230 -8.826 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -1.905 -12.333 -10.223 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -1.600 -10.885 -11.056 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -0.549 -11.392 -9.822 1.00 1.82 H new ATOM 512 N ASN A 61 0.694 -4.891 -9.326 1.00 0.43 N ATOM 513 CA ASN A 61 1.088 -3.559 -8.909 1.00 0.42 C ATOM 514 C ASN A 61 -0.076 -2.814 -8.275 1.00 0.39 C ATOM 515 O ASN A 61 -1.069 -2.504 -8.936 1.00 0.42 O ATOM 516 CB ASN A 61 1.638 -2.767 -10.091 1.00 0.52 C ATOM 517 CG ASN A 61 2.438 -1.562 -9.642 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.887 -0.489 -9.409 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.750 -1.729 -9.537 1.00 0.71 N ATOM 0 H ASN A 61 0.590 -5.006 -10.334 1.00 0.43 H new ATOM 0 HA ASN A 61 1.873 -3.664 -8.160 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.269 -3.415 -10.700 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.813 -2.439 -10.724 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.342 -0.949 -9.253 1.00 0.71 H new ATOM 0 HD22 ASN A 61 4.166 -2.638 -9.740 1.00 0.71 H new ATOM 526 N PHE A 62 0.060 -2.534 -6.987 1.00 0.38 N ATOM 527 CA PHE A 62 -0.957 -1.829 -6.222 1.00 0.40 C ATOM 528 C PHE A 62 -1.283 -0.483 -6.852 1.00 0.47 C ATOM 529 O PHE A 62 -2.439 -0.168 -7.092 1.00 0.70 O ATOM 530 CB PHE A 62 -0.467 -1.624 -4.784 1.00 0.43 C ATOM 531 CG PHE A 62 -1.431 -0.893 -3.890 1.00 0.45 C ATOM 532 CD1 PHE A 62 -1.251 0.452 -3.604 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.508 -1.556 -3.325 1.00 0.51 C ATOM 534 CE1 PHE A 62 -2.127 1.120 -2.770 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.389 -0.892 -2.492 1.00 0.56 C ATOM 536 CZ PHE A 62 -3.198 0.448 -2.213 1.00 0.53 C ATOM 0 H PHE A 62 0.883 -2.791 -6.441 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.865 -2.432 -6.220 1.00 0.40 H new ATOM 0 HB2 PHE A 62 -0.253 -2.598 -4.345 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.473 -1.073 -4.810 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.417 0.983 -4.038 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.661 -2.604 -3.538 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.975 2.167 -2.554 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.226 -1.420 -2.060 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.884 0.969 -1.561 1.00 0.53 H new ATOM 546 N PHE A 63 -0.247 0.275 -7.169 1.00 0.46 N ATOM 547 CA PHE A 63 -0.402 1.670 -7.562 1.00 0.55 C ATOM 548 C PHE A 63 -0.831 1.812 -9.021 1.00 0.66 C ATOM 549 O PHE A 63 -0.924 2.922 -9.543 1.00 0.91 O ATOM 550 CB PHE A 63 0.917 2.408 -7.332 1.00 0.57 C ATOM 551 CG PHE A 63 1.459 2.241 -5.938 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.238 1.146 -5.611 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.186 3.180 -4.957 1.00 0.77 C ATOM 554 CE1 PHE A 63 2.736 0.990 -4.332 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.681 3.032 -3.677 1.00 1.04 C ATOM 556 CZ PHE A 63 2.460 1.929 -3.365 1.00 1.16 C ATOM 0 H PHE A 63 0.719 -0.053 -7.162 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.190 2.107 -6.949 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.656 2.047 -8.047 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.771 3.469 -7.533 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.459 0.404 -6.364 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.578 4.040 -5.197 1.00 0.77 H new ATOM 0 HE1 PHE A 63 3.343 0.130 -4.091 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.462 3.773 -2.922 1.00 1.04 H new ATOM 0 HZ PHE A 63 2.849 1.807 -2.365 1.00 1.16 H new ATOM 566 N LYS A 64 -1.102 0.691 -9.676 1.00 0.57 N ATOM 567 CA LYS A 64 -1.468 0.714 -11.082 1.00 0.72 C ATOM 568 C LYS A 64 -2.622 -0.234 -11.388 1.00 0.72 C ATOM 569 O LYS A 64 -3.629 0.174 -11.963 1.00 0.90 O ATOM 570 CB LYS A 64 -0.260 0.377 -11.957 1.00 0.82 C ATOM 571 CG LYS A 64 0.774 1.492 -11.995 1.00 1.56 C ATOM 572 CD LYS A 64 1.887 1.196 -12.980 1.00 2.11 C ATOM 573 CE LYS A 64 2.833 0.127 -12.463 1.00 2.85 C ATOM 574 NZ LYS A 64 3.945 -0.146 -13.411 1.00 3.58 N ATOM 0 H LYS A 64 -1.075 -0.239 -9.258 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.804 1.725 -11.311 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.209 -0.534 -11.585 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.600 0.169 -12.972 1.00 0.82 H new ATOM 0 HG2 LYS A 64 0.288 2.429 -12.267 1.00 1.56 H new ATOM 0 HG3 LYS A 64 1.197 1.629 -11.000 1.00 1.56 H new ATOM 0 HD2 LYS A 64 1.456 0.872 -13.927 1.00 2.11 H new ATOM 0 HD3 LYS A 64 2.447 2.110 -13.180 1.00 2.11 H new ATOM 0 HE2 LYS A 64 3.245 0.442 -11.504 1.00 2.85 H new ATOM 0 HE3 LYS A 64 2.276 -0.793 -12.284 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 4.565 -0.882 -13.016 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 3.555 -0.472 -14.319 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 4.494 0.724 -13.562 1.00 3.58 H new ATOM 588 N ASP A 65 -2.486 -1.495 -10.999 1.00 0.60 N ATOM 589 CA ASP A 65 -3.475 -2.504 -11.378 1.00 0.69 C ATOM 590 C ASP A 65 -4.519 -2.736 -10.287 1.00 0.74 C ATOM 591 O ASP A 65 -5.640 -3.150 -10.580 1.00 1.10 O ATOM 592 CB ASP A 65 -2.774 -3.828 -11.707 1.00 0.79 C ATOM 593 CG ASP A 65 -3.737 -4.893 -12.197 1.00 1.38 C ATOM 594 OD1 ASP A 65 -4.158 -4.820 -13.372 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.060 -5.819 -11.422 1.00 2.20 O ATOM 0 H ASP A 65 -1.714 -1.843 -10.430 1.00 0.60 H new ATOM 0 HA ASP A 65 -3.996 -2.127 -12.258 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.014 -3.653 -12.468 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -2.257 -4.192 -10.819 1.00 0.79 H new ATOM 600 N VAL A 66 -4.181 -2.439 -9.037 1.00 0.70 N ATOM 601 CA VAL A 66 -5.134 -2.652 -7.949 1.00 0.82 C ATOM 602 C VAL A 66 -5.520 -1.320 -7.289 1.00 0.70 C ATOM 603 O VAL A 66 -6.133 -1.293 -6.220 1.00 0.80 O ATOM 604 CB VAL A 66 -4.649 -3.482 -7.019 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.780 -4.147 -6.238 1.00 1.45 C ATOM 606 CG2 VAL A 66 -3.729 -4.541 -7.617 1.00 1.77 C ATOM 0 H VAL A 66 -3.278 -2.059 -8.754 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.020 -3.108 -8.391 1.00 0.82 H new ATOM 0 HB VAL A 66 -4.055 -2.877 -6.335 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.359 -4.817 -5.488 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.381 -3.382 -5.745 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -6.408 -4.717 -6.922 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -3.360 -5.192 -6.824 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -4.282 -5.134 -8.345 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -2.887 -4.055 -8.110 1.00 1.77 H new ATOM 616 N ALA A 67 -5.190 -0.217 -7.960 1.00 0.56 N ATOM 617 CA ALA A 67 -5.475 1.130 -7.453 1.00 0.53 C ATOM 618 C ALA A 67 -4.881 2.185 -8.385 1.00 0.49 C ATOM 619 O ALA A 67 -3.748 2.622 -8.205 1.00 0.61 O ATOM 620 CB ALA A 67 -4.928 1.320 -6.039 1.00 0.60 C ATOM 0 H ALA A 67 -4.720 -0.228 -8.865 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.558 1.249 -7.418 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -5.156 2.328 -5.693 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.389 0.594 -5.370 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.848 1.174 -6.044 1.00 0.60 H new ATOM 626 N PRO A 68 -5.630 2.587 -9.417 1.00 0.44 N ATOM 627 CA PRO A 68 -5.165 3.579 -10.391 1.00 0.47 C ATOM 628 C PRO A 68 -5.161 5.011 -9.855 1.00 0.55 C ATOM 629 O PRO A 68 -4.705 5.926 -10.540 1.00 0.81 O ATOM 630 CB PRO A 68 -6.164 3.441 -11.540 1.00 0.56 C ATOM 631 CG PRO A 68 -7.408 2.932 -10.903 1.00 0.69 C ATOM 632 CD PRO A 68 -6.971 2.075 -9.744 1.00 0.47 C ATOM 0 HA PRO A 68 -4.128 3.397 -10.673 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.335 4.398 -12.033 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.799 2.752 -12.301 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.035 3.756 -10.562 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.999 2.354 -11.613 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.652 2.168 -8.898 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -6.941 1.020 -10.015 1.00 0.47 H new ATOM 640 N CYS A 69 -5.656 5.219 -8.637 1.00 0.51 N ATOM 641 CA CYS A 69 -5.624 6.557 -8.048 1.00 0.61 C ATOM 642 C CYS A 69 -4.234 6.836 -7.483 1.00 0.59 C ATOM 643 O CYS A 69 -3.777 7.979 -7.496 1.00 0.81 O ATOM 644 CB CYS A 69 -6.690 6.737 -6.952 1.00 0.85 C ATOM 645 SG CYS A 69 -6.284 5.967 -5.347 1.00 0.81 S ATOM 0 H CYS A 69 -6.075 4.498 -8.050 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.852 7.272 -8.838 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -6.852 7.803 -6.796 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.632 6.320 -7.310 1.00 0.85 H new ATOM 0 HG CYS A 69 -5.225 5.225 -5.477 1.00 0.81 H new ATOM 650 N THR A 70 -3.453 5.769 -7.373 1.00 0.61 N ATOM 651 CA THR A 70 -2.338 5.762 -6.448 1.00 0.58 C ATOM 652 C THR A 70 -1.015 5.997 -7.187 1.00 0.55 C ATOM 653 O THR A 70 0.048 6.117 -6.574 1.00 0.64 O ATOM 654 CB THR A 70 -2.300 4.615 -5.799 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.636 4.112 -5.656 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.687 4.777 -4.419 1.00 1.07 C ATOM 0 H THR A 70 -3.572 4.909 -7.908 1.00 0.61 H new ATOM 0 HA THR A 70 -2.477 6.573 -5.733 1.00 0.58 H new ATOM 0 HB THR A 70 -1.684 3.921 -6.371 1.00 0.63 H new ATOM 0 HG1 THR A 70 -3.744 3.720 -4.764 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.672 3.812 -3.912 1.00 1.07 H new ATOM 0 HG22 THR A 70 -0.668 5.153 -4.515 1.00 1.07 H new ATOM 0 HG23 THR A 70 -2.281 5.483 -3.838 1.00 1.07 H new ATOM 664 N ASP A 71 -1.085 6.076 -8.510 1.00 0.55 N ATOM 665 CA ASP A 71 0.091 6.404 -9.313 1.00 0.63 C ATOM 666 C ASP A 71 0.329 7.907 -9.294 1.00 0.70 C ATOM 667 O ASP A 71 -0.290 8.651 -10.058 1.00 0.88 O ATOM 668 CB ASP A 71 -0.071 5.929 -10.758 1.00 0.76 C ATOM 669 CG ASP A 71 1.126 6.292 -11.620 1.00 0.96 C ATOM 670 OD1 ASP A 71 1.092 7.352 -12.281 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.111 5.526 -11.639 1.00 1.34 O ATOM 0 H ASP A 71 -1.937 5.919 -9.049 1.00 0.55 H new ATOM 0 HA ASP A 71 0.948 5.890 -8.878 1.00 0.63 H new ATOM 0 HB2 ASP A 71 -0.210 4.848 -10.770 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.971 6.371 -11.185 1.00 0.76 H new ATOM 676 N SER A 72 1.201 8.348 -8.398 1.00 0.66 N ATOM 677 CA SER A 72 1.518 9.764 -8.235 1.00 0.77 C ATOM 678 C SER A 72 2.774 9.897 -7.385 1.00 0.76 C ATOM 679 O SER A 72 3.077 9.005 -6.595 1.00 0.71 O ATOM 680 CB SER A 72 0.362 10.519 -7.554 1.00 0.88 C ATOM 681 OG SER A 72 -0.829 10.473 -8.321 1.00 1.56 O ATOM 0 H SER A 72 1.710 7.735 -7.762 1.00 0.66 H new ATOM 0 HA SER A 72 1.677 10.199 -9.222 1.00 0.77 H new ATOM 0 HB2 SER A 72 0.177 10.087 -6.571 1.00 0.88 H new ATOM 0 HB3 SER A 72 0.651 11.558 -7.396 1.00 0.88 H new ATOM 0 HG SER A 72 -0.642 10.061 -9.190 1.00 1.56 H new ATOM 687 N PRO A 73 3.518 11.006 -7.518 1.00 0.90 N ATOM 688 CA PRO A 73 4.722 11.249 -6.712 1.00 0.99 C ATOM 689 C PRO A 73 4.397 11.395 -5.224 1.00 0.96 C ATOM 690 O PRO A 73 5.257 11.210 -4.367 1.00 1.05 O ATOM 691 CB PRO A 73 5.276 12.562 -7.276 1.00 1.13 C ATOM 692 CG PRO A 73 4.119 13.219 -7.946 1.00 1.17 C ATOM 693 CD PRO A 73 3.256 12.105 -8.467 1.00 1.05 C ATOM 0 HA PRO A 73 5.428 10.421 -6.771 1.00 0.99 H new ATOM 0 HB2 PRO A 73 5.681 13.191 -6.483 1.00 1.13 H new ATOM 0 HB3 PRO A 73 6.086 12.377 -7.981 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.567 13.846 -7.246 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.453 13.866 -8.757 1.00 1.17 H new ATOM 0 HD2 PRO A 73 2.202 12.384 -8.480 1.00 1.05 H new ATOM 0 HD3 PRO A 73 3.525 11.830 -9.487 1.00 1.05 H new ATOM 701 N GLU A 74 3.144 11.713 -4.933 1.00 0.91 N ATOM 702 CA GLU A 74 2.685 11.878 -3.558 1.00 0.96 C ATOM 703 C GLU A 74 2.130 10.571 -2.992 1.00 0.93 C ATOM 704 O GLU A 74 1.948 10.437 -1.786 1.00 1.25 O ATOM 705 CB GLU A 74 1.622 12.971 -3.506 1.00 1.07 C ATOM 706 CG GLU A 74 0.463 12.720 -4.455 1.00 0.90 C ATOM 707 CD GLU A 74 0.114 13.943 -5.266 1.00 1.59 C ATOM 708 OE1 GLU A 74 0.712 14.133 -6.342 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.753 14.725 -4.828 1.00 1.58 O ATOM 0 H GLU A 74 2.420 11.863 -5.636 1.00 0.91 H new ATOM 0 HA GLU A 74 3.537 12.166 -2.943 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.240 13.050 -2.488 1.00 1.07 H new ATOM 0 HB3 GLU A 74 2.082 13.929 -3.749 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.718 11.901 -5.128 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.410 12.404 -3.884 1.00 0.90 H new ATOM 716 N PHE A 75 1.848 9.616 -3.866 1.00 0.80 N ATOM 717 CA PHE A 75 1.399 8.300 -3.431 1.00 0.79 C ATOM 718 C PHE A 75 2.520 7.284 -3.624 1.00 0.66 C ATOM 719 O PHE A 75 3.252 6.956 -2.692 1.00 0.66 O ATOM 720 CB PHE A 75 0.176 7.829 -4.222 1.00 0.87 C ATOM 721 CG PHE A 75 -1.085 8.617 -4.026 1.00 1.53 C ATOM 722 CD1 PHE A 75 -1.518 9.513 -4.987 1.00 2.26 C ATOM 723 CD2 PHE A 75 -1.813 8.488 -2.856 1.00 1.74 C ATOM 724 CE1 PHE A 75 -2.659 10.266 -4.784 1.00 3.20 C ATOM 725 CE2 PHE A 75 -2.957 9.231 -2.650 1.00 2.61 C ATOM 726 CZ PHE A 75 -3.452 10.031 -3.708 1.00 3.36 C ATOM 0 H PHE A 75 1.921 9.726 -4.877 1.00 0.80 H new ATOM 0 HA PHE A 75 1.126 8.379 -2.379 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.428 7.844 -5.282 1.00 0.87 H new ATOM 0 HB3 PHE A 75 -0.024 6.791 -3.957 1.00 0.87 H new ATOM 0 HD1 PHE A 75 -0.959 9.625 -5.904 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -1.481 7.797 -2.095 1.00 1.74 H new ATOM 0 HE1 PHE A 75 -2.921 11.045 -5.485 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -3.466 9.203 -1.698 1.00 2.61 H new ATOM 0 HZ PHE A 75 -4.447 10.448 -3.659 1.00 3.36 H new ATOM 736 N TYR A 76 2.657 6.818 -4.860 1.00 0.59 N ATOM 737 CA TYR A 76 3.684 5.856 -5.225 1.00 0.50 C ATOM 738 C TYR A 76 5.070 6.461 -5.029 1.00 0.47 C ATOM 739 O TYR A 76 5.992 5.783 -4.590 1.00 0.49 O ATOM 740 CB TYR A 76 3.488 5.416 -6.680 1.00 0.51 C ATOM 741 CG TYR A 76 4.512 4.419 -7.177 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.290 4.698 -8.289 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.698 3.200 -6.535 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.226 3.794 -8.750 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.632 2.290 -6.991 1.00 0.59 C ATOM 746 CZ TYR A 76 6.392 2.591 -8.099 1.00 0.65 C ATOM 747 OH TYR A 76 7.331 1.693 -8.551 1.00 0.79 O ATOM 0 H TYR A 76 2.057 7.098 -5.636 1.00 0.59 H new ATOM 0 HA TYR A 76 3.600 4.982 -4.579 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.495 4.980 -6.784 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.517 6.298 -7.320 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.162 5.639 -8.804 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.103 2.961 -5.666 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.826 4.029 -9.617 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.765 1.347 -6.481 1.00 0.59 H new ATOM 0 HH TYR A 76 6.927 0.802 -8.615 1.00 0.79 H new ATOM 757 N GLY A 77 5.195 7.746 -5.336 1.00 0.48 N ATOM 758 CA GLY A 77 6.461 8.438 -5.168 1.00 0.50 C ATOM 759 C GLY A 77 6.910 8.483 -3.719 1.00 0.52 C ATOM 760 O GLY A 77 8.105 8.551 -3.435 1.00 0.60 O ATOM 0 H GLY A 77 4.438 8.325 -5.700 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.225 7.942 -5.767 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.369 9.455 -5.548 1.00 0.50 H new ATOM 764 N LYS A 78 5.949 8.441 -2.802 1.00 0.53 N ATOM 765 CA LYS A 78 6.252 8.412 -1.379 1.00 0.60 C ATOM 766 C LYS A 78 6.625 7.004 -0.941 1.00 0.59 C ATOM 767 O LYS A 78 7.410 6.822 -0.015 1.00 0.66 O ATOM 768 CB LYS A 78 5.075 8.945 -0.563 1.00 0.69 C ATOM 769 CG LYS A 78 4.946 10.456 -0.639 1.00 0.77 C ATOM 770 CD LYS A 78 6.155 11.137 -0.026 1.00 1.17 C ATOM 771 CE LYS A 78 6.175 12.627 -0.320 1.00 1.41 C ATOM 772 NZ LYS A 78 7.320 13.298 0.350 1.00 2.09 N ATOM 0 H LYS A 78 4.953 8.426 -3.021 1.00 0.53 H new ATOM 0 HA LYS A 78 7.108 9.062 -1.197 1.00 0.60 H new ATOM 0 HB2 LYS A 78 4.153 8.487 -0.921 1.00 0.69 H new ATOM 0 HB3 LYS A 78 5.195 8.647 0.478 1.00 0.69 H new ATOM 0 HG2 LYS A 78 4.840 10.763 -1.679 1.00 0.77 H new ATOM 0 HG3 LYS A 78 4.042 10.774 -0.119 1.00 0.77 H new ATOM 0 HD2 LYS A 78 6.152 10.980 1.053 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.065 10.678 -0.413 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.238 12.786 -1.397 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.241 13.078 0.015 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 6.986 13.779 1.210 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.036 12.589 0.606 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 7.740 13.996 -0.296 1.00 2.09 H new ATOM 786 N PHE A 79 6.073 6.009 -1.621 1.00 0.52 N ATOM 787 CA PHE A 79 6.508 4.636 -1.424 1.00 0.50 C ATOM 788 C PHE A 79 7.929 4.486 -1.965 1.00 0.51 C ATOM 789 O PHE A 79 8.755 3.775 -1.401 1.00 0.56 O ATOM 790 CB PHE A 79 5.552 3.658 -2.122 1.00 0.48 C ATOM 791 CG PHE A 79 5.965 2.218 -2.002 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.527 1.433 -0.942 1.00 0.62 C ATOM 793 CD2 PHE A 79 6.807 1.651 -2.945 1.00 0.53 C ATOM 794 CE1 PHE A 79 5.925 0.118 -0.833 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.202 0.337 -2.840 1.00 0.61 C ATOM 796 CZ PHE A 79 6.762 -0.429 -1.783 1.00 0.65 C ATOM 0 H PHE A 79 5.329 6.126 -2.309 1.00 0.52 H new ATOM 0 HA PHE A 79 6.499 4.400 -0.360 1.00 0.50 H new ATOM 0 HB2 PHE A 79 4.554 3.777 -1.700 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.485 3.921 -3.178 1.00 0.48 H new ATOM 0 HD1 PHE A 79 4.869 1.857 -0.198 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.158 2.248 -3.774 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.582 -0.484 -0.004 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.856 -0.093 -3.585 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.073 -1.460 -1.698 1.00 0.65 H new ATOM 806 N LYS A 80 8.209 5.196 -3.051 1.00 0.51 N ATOM 807 CA LYS A 80 9.524 5.162 -3.681 1.00 0.58 C ATOM 808 C LYS A 80 10.494 6.113 -2.987 1.00 0.63 C ATOM 809 O LYS A 80 11.669 6.160 -3.336 1.00 0.66 O ATOM 810 CB LYS A 80 9.422 5.524 -5.169 1.00 0.64 C ATOM 811 CG LYS A 80 8.469 4.633 -5.954 1.00 0.69 C ATOM 812 CD LYS A 80 8.885 3.170 -5.898 1.00 0.72 C ATOM 813 CE LYS A 80 10.129 2.896 -6.732 1.00 0.93 C ATOM 814 NZ LYS A 80 9.877 3.060 -8.190 1.00 1.09 N ATOM 0 H LYS A 80 7.538 5.807 -3.517 1.00 0.51 H new ATOM 0 HA LYS A 80 9.906 4.146 -3.586 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.094 6.560 -5.260 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.414 5.463 -5.617 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.460 4.739 -5.555 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.437 4.962 -6.993 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.074 2.887 -4.863 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.065 2.547 -6.255 1.00 0.72 H new ATOM 0 HE2 LYS A 80 10.926 3.573 -6.425 1.00 0.93 H new ATOM 0 HE3 LYS A 80 10.479 1.882 -6.537 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 10.646 2.612 -8.728 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 8.973 2.610 -8.439 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 9.836 4.073 -8.423 1.00 1.09 H new ATOM 828 N GLU A 81 9.996 6.860 -2.005 1.00 0.67 N ATOM 829 CA GLU A 81 10.794 7.874 -1.311 1.00 0.78 C ATOM 830 C GLU A 81 12.093 7.285 -0.764 1.00 0.67 C ATOM 831 O GLU A 81 13.170 7.855 -0.947 1.00 0.70 O ATOM 832 CB GLU A 81 9.970 8.508 -0.184 1.00 0.94 C ATOM 833 CG GLU A 81 10.691 9.619 0.565 1.00 1.25 C ATOM 834 CD GLU A 81 9.759 10.433 1.442 1.00 1.57 C ATOM 835 OE1 GLU A 81 9.275 11.486 0.972 1.00 2.07 O ATOM 836 OE2 GLU A 81 9.513 10.031 2.600 1.00 2.04 O ATOM 0 H GLU A 81 9.036 6.783 -1.668 1.00 0.67 H new ATOM 0 HA GLU A 81 11.063 8.646 -2.031 1.00 0.78 H new ATOM 0 HB2 GLU A 81 9.047 8.908 -0.604 1.00 0.94 H new ATOM 0 HB3 GLU A 81 9.687 7.731 0.526 1.00 0.94 H new ATOM 0 HG2 GLU A 81 11.477 9.185 1.182 1.00 1.25 H new ATOM 0 HG3 GLU A 81 11.177 10.280 -0.153 1.00 1.25 H new ATOM 843 N GLY A 82 11.997 6.141 -0.107 1.00 0.62 N ATOM 844 CA GLY A 82 13.189 5.491 0.397 1.00 0.62 C ATOM 845 C GLY A 82 13.842 4.627 -0.656 1.00 0.62 C ATOM 846 O GLY A 82 15.066 4.616 -0.797 1.00 0.72 O ATOM 0 H GLY A 82 11.122 5.653 0.086 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.898 6.245 0.740 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.932 4.879 1.262 1.00 0.62 H new ATOM 850 N VAL A 83 13.002 3.895 -1.377 1.00 0.58 N ATOM 851 CA VAL A 83 13.418 3.056 -2.509 1.00 0.66 C ATOM 852 C VAL A 83 14.411 3.781 -3.429 1.00 0.73 C ATOM 853 O VAL A 83 15.465 3.235 -3.759 1.00 0.85 O ATOM 854 CB VAL A 83 12.368 2.702 -3.239 1.00 0.68 C ATOM 855 CG1 VAL A 83 12.760 1.672 -4.294 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.233 2.179 -2.371 1.00 0.65 C ATOM 0 H VAL A 83 11.999 3.862 -1.195 1.00 0.58 H new ATOM 0 HA VAL A 83 13.902 2.178 -2.081 1.00 0.66 H new ATOM 0 HB VAL A 83 12.009 3.596 -3.749 1.00 0.68 H new ATOM 0 HG11 VAL A 83 11.882 1.398 -4.879 1.00 0.83 H new ATOM 0 HG12 VAL A 83 13.517 2.096 -4.953 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.161 0.784 -3.805 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.391 1.899 -3.003 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.574 1.307 -1.813 1.00 0.65 H new ATOM 0 HG23 VAL A 83 10.920 2.956 -1.674 1.00 0.65 H new ATOM 866 N ALA A 84 14.070 5.017 -3.812 1.00 0.70 N ATOM 867 CA ALA A 84 14.885 5.819 -4.733 1.00 0.81 C ATOM 868 C ALA A 84 16.353 5.844 -4.321 1.00 0.92 C ATOM 869 O ALA A 84 17.245 5.743 -5.163 1.00 1.14 O ATOM 870 CB ALA A 84 14.343 7.237 -4.819 1.00 0.85 C ATOM 0 H ALA A 84 13.224 5.489 -3.493 1.00 0.70 H new ATOM 0 HA ALA A 84 14.825 5.349 -5.715 1.00 0.81 H new ATOM 0 HB1 ALA A 84 14.957 7.820 -5.505 1.00 0.85 H new ATOM 0 HB2 ALA A 84 13.316 7.212 -5.183 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.367 7.696 -3.831 1.00 0.85 H new ATOM 876 N SER A 85 16.599 5.994 -3.030 1.00 0.92 N ATOM 877 CA SER A 85 17.948 5.909 -2.500 1.00 1.12 C ATOM 878 C SER A 85 18.369 4.446 -2.410 1.00 1.16 C ATOM 879 O SER A 85 19.331 4.015 -3.047 1.00 1.40 O ATOM 880 CB SER A 85 18.003 6.574 -1.123 1.00 1.38 C ATOM 881 OG SER A 85 17.576 7.923 -1.206 1.00 1.82 O ATOM 0 H SER A 85 15.880 6.176 -2.329 1.00 0.92 H new ATOM 0 HA SER A 85 18.638 6.430 -3.164 1.00 1.12 H new ATOM 0 HB2 SER A 85 17.370 6.028 -0.424 1.00 1.38 H new ATOM 0 HB3 SER A 85 19.020 6.532 -0.732 1.00 1.38 H new ATOM 0 HG SER A 85 17.615 8.334 -0.317 1.00 1.82 H new ATOM 887 N GLY A 86 17.637 3.698 -1.604 1.00 1.12 N ATOM 888 CA GLY A 86 17.847 2.271 -1.495 1.00 1.47 C ATOM 889 C GLY A 86 16.710 1.626 -0.746 1.00 1.35 C ATOM 890 O GLY A 86 16.069 0.690 -1.228 1.00 1.65 O ATOM 0 H GLY A 86 16.888 4.060 -1.013 1.00 1.12 H new ATOM 0 HA2 GLY A 86 17.930 1.833 -2.490 1.00 1.47 H new ATOM 0 HA3 GLY A 86 18.787 2.074 -0.980 1.00 1.47 H new ATOM 894 N ASN A 87 16.469 2.158 0.440 1.00 1.30 N ATOM 895 CA ASN A 87 15.408 1.701 1.319 1.00 1.28 C ATOM 896 C ASN A 87 15.211 2.713 2.437 1.00 0.81 C ATOM 897 O ASN A 87 16.186 3.245 2.966 1.00 1.19 O ATOM 898 CB ASN A 87 15.723 0.311 1.898 1.00 1.94 C ATOM 899 CG ASN A 87 17.173 0.125 2.356 1.00 2.79 C ATOM 900 OD1 ASN A 87 17.714 -0.975 2.271 1.00 3.50 O ATOM 901 ND2 ASN A 87 17.810 1.176 2.855 1.00 3.16 N ATOM 0 H ASN A 87 17.013 2.931 0.824 1.00 1.30 H new ATOM 0 HA ASN A 87 14.488 1.613 0.741 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.062 0.126 2.745 1.00 1.94 H new ATOM 0 HB3 ASN A 87 15.494 -0.443 1.144 1.00 1.94 H new ATOM 0 HD21 ASN A 87 18.772 1.082 3.180 1.00 3.16 H new ATOM 0 HD22 ASN A 87 17.337 2.078 2.914 1.00 3.16 H new ATOM 908 N LEU A 88 13.966 3.014 2.766 1.00 0.61 N ATOM 909 CA LEU A 88 13.684 3.943 3.850 1.00 0.75 C ATOM 910 C LEU A 88 12.229 3.877 4.275 1.00 0.56 C ATOM 911 O LEU A 88 11.330 4.026 3.453 1.00 1.00 O ATOM 912 CB LEU A 88 14.045 5.381 3.457 1.00 1.61 C ATOM 913 CG LEU A 88 13.755 6.447 4.519 1.00 2.22 C ATOM 914 CD1 LEU A 88 14.613 6.222 5.756 1.00 2.96 C ATOM 915 CD2 LEU A 88 13.987 7.838 3.949 1.00 2.90 C ATOM 0 H LEU A 88 13.140 2.633 2.304 1.00 0.61 H new ATOM 0 HA LEU A 88 14.305 3.644 4.695 1.00 0.75 H new ATOM 0 HB2 LEU A 88 15.106 5.417 3.212 1.00 1.61 H new ATOM 0 HB3 LEU A 88 13.499 5.639 2.549 1.00 1.61 H new ATOM 0 HG LEU A 88 12.709 6.365 4.814 1.00 2.22 H new ATOM 0 HD11 LEU A 88 14.391 6.990 6.497 1.00 2.96 H new ATOM 0 HD12 LEU A 88 14.396 5.239 6.175 1.00 2.96 H new ATOM 0 HD13 LEU A 88 15.667 6.275 5.483 1.00 2.96 H new ATOM 0 HD21 LEU A 88 13.777 8.585 4.715 1.00 2.90 H new ATOM 0 HD22 LEU A 88 15.024 7.931 3.626 1.00 2.90 H new ATOM 0 HD23 LEU A 88 13.326 7.997 3.097 1.00 2.90 H new ATOM 927 N ASN A 89 12.008 3.644 5.559 1.00 0.54 N ATOM 928 CA ASN A 89 10.666 3.696 6.124 1.00 0.47 C ATOM 929 C ASN A 89 10.154 5.122 6.146 1.00 0.59 C ATOM 930 O ASN A 89 10.852 6.049 6.562 1.00 0.97 O ATOM 931 CB ASN A 89 10.613 3.061 7.528 1.00 0.50 C ATOM 932 CG ASN A 89 11.762 3.445 8.455 1.00 1.31 C ATOM 933 OD1 ASN A 89 12.201 2.634 9.273 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.243 4.673 8.365 1.00 1.82 N ATOM 0 H ASN A 89 12.740 3.417 6.231 1.00 0.54 H new ATOM 0 HA ASN A 89 10.011 3.107 5.482 1.00 0.47 H new ATOM 0 HB2 ASN A 89 9.673 3.344 8.003 1.00 0.50 H new ATOM 0 HB3 ASN A 89 10.601 1.977 7.419 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.998 4.972 8.983 1.00 1.82 H new ATOM 0 HD22 ASN A 89 11.859 5.322 7.678 1.00 1.82 H new ATOM 941 N THR A 90 8.943 5.297 5.666 1.00 0.51 N ATOM 942 CA THR A 90 8.338 6.602 5.603 1.00 0.61 C ATOM 943 C THR A 90 6.855 6.503 5.942 1.00 0.53 C ATOM 944 O THR A 90 6.251 5.426 5.858 1.00 0.51 O ATOM 945 CB THR A 90 8.525 7.160 4.407 1.00 0.75 C ATOM 946 OG1 THR A 90 8.157 8.546 4.427 1.00 1.63 O ATOM 947 CG2 THR A 90 7.750 6.442 3.313 1.00 1.39 C ATOM 0 H THR A 90 8.356 4.542 5.311 1.00 0.51 H new ATOM 0 HA THR A 90 8.819 7.246 6.339 1.00 0.61 H new ATOM 0 HB THR A 90 9.588 7.071 4.182 1.00 0.75 H new ATOM 0 HG1 THR A 90 8.676 9.032 3.752 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.933 6.932 2.356 1.00 1.39 H new ATOM 0 HG22 THR A 90 8.076 5.404 3.257 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.684 6.476 3.540 1.00 1.39 H new ATOM 955 N MET A 91 6.301 7.597 6.409 1.00 0.55 N ATOM 956 CA MET A 91 4.889 7.657 6.740 1.00 0.51 C ATOM 957 C MET A 91 4.243 8.879 6.102 1.00 0.57 C ATOM 958 O MET A 91 4.633 10.014 6.373 1.00 0.75 O ATOM 959 CB MET A 91 4.692 7.685 8.257 1.00 0.60 C ATOM 960 CG MET A 91 3.231 7.676 8.676 1.00 1.14 C ATOM 961 SD MET A 91 3.015 7.576 10.462 1.00 1.61 S ATOM 962 CE MET A 91 3.776 9.110 10.988 1.00 1.77 C ATOM 0 H MET A 91 6.808 8.467 6.571 1.00 0.55 H new ATOM 0 HA MET A 91 4.407 6.762 6.345 1.00 0.51 H new ATOM 0 HB2 MET A 91 5.194 6.823 8.697 1.00 0.60 H new ATOM 0 HB3 MET A 91 5.173 8.575 8.662 1.00 0.60 H new ATOM 0 HG2 MET A 91 2.747 8.580 8.306 1.00 1.14 H new ATOM 0 HG3 MET A 91 2.729 6.830 8.206 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.478 9.331 12.013 1.00 1.77 H new ATOM 0 HE2 MET A 91 4.861 9.014 10.938 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.453 9.920 10.333 1.00 1.77 H new ATOM 972 N PHE A 92 3.264 8.635 5.249 1.00 0.49 N ATOM 973 CA PHE A 92 2.546 9.708 4.576 1.00 0.55 C ATOM 974 C PHE A 92 1.049 9.472 4.720 1.00 0.48 C ATOM 975 O PHE A 92 0.621 8.342 4.913 1.00 0.47 O ATOM 976 CB PHE A 92 2.937 9.741 3.098 1.00 0.72 C ATOM 977 CG PHE A 92 2.634 11.037 2.404 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.617 11.109 1.467 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.352 12.185 2.698 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.323 12.301 0.835 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.061 13.379 2.068 1.00 2.86 C ATOM 982 CZ PHE A 92 2.102 13.432 1.105 1.00 3.01 C ATOM 0 H PHE A 92 2.945 7.698 5.004 1.00 0.49 H new ATOM 0 HA PHE A 92 2.804 10.666 5.027 1.00 0.55 H new ATOM 0 HB2 PHE A 92 4.005 9.539 3.013 1.00 0.72 H new ATOM 0 HB3 PHE A 92 2.417 8.935 2.579 1.00 0.72 H new ATOM 0 HD1 PHE A 92 1.047 10.223 1.228 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.147 12.146 3.427 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.500 12.360 0.139 1.00 2.19 H new ATOM 0 HE2 PHE A 92 3.598 14.275 2.341 1.00 2.86 H new ATOM 0 HZ PHE A 92 1.942 14.345 0.550 1.00 3.01 H new ATOM 992 N GLU A 93 0.258 10.525 4.643 1.00 0.48 N ATOM 993 CA GLU A 93 -1.184 10.387 4.767 1.00 0.47 C ATOM 994 C GLU A 93 -1.894 10.960 3.548 1.00 0.45 C ATOM 995 O GLU A 93 -1.536 12.025 3.047 1.00 0.53 O ATOM 996 CB GLU A 93 -1.690 11.016 6.078 1.00 0.58 C ATOM 997 CG GLU A 93 -0.999 12.314 6.486 1.00 1.30 C ATOM 998 CD GLU A 93 -1.504 13.532 5.740 1.00 1.73 C ATOM 999 OE1 GLU A 93 -2.666 13.927 5.954 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -0.742 14.093 4.926 1.00 2.04 O ATOM 0 H GLU A 93 0.585 11.480 4.496 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.422 9.324 4.809 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -2.759 11.207 5.982 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.567 10.290 6.882 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -1.140 12.470 7.556 1.00 1.30 H new ATOM 0 HG3 GLU A 93 0.073 12.214 6.317 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.888 10.234 3.059 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.581 10.611 1.841 1.00 0.51 C ATOM 1009 C TYR A 94 -4.921 9.887 1.745 1.00 0.42 C ATOM 1010 O TYR A 94 -5.203 8.970 2.519 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.721 10.323 0.606 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.707 11.463 -0.393 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -3.878 12.123 -0.745 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.523 11.879 -0.977 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.866 13.167 -1.648 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -1.502 12.921 -1.880 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.675 13.562 -2.212 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.655 14.607 -3.106 1.00 3.37 O ATOM 0 H TYR A 94 -3.232 9.377 3.491 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.768 11.684 1.875 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.699 10.115 0.924 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -3.092 9.423 0.115 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -4.814 11.814 -0.304 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -0.600 11.379 -0.721 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -4.785 13.670 -1.910 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -0.569 13.233 -2.325 1.00 1.83 H new ATOM 0 HH TYR A 94 -1.998 14.423 -3.810 1.00 3.37 H new ATOM 1028 N THR A 95 -5.742 10.315 0.804 1.00 0.46 N ATOM 1029 CA THR A 95 -7.093 9.816 0.673 1.00 0.46 C ATOM 1030 C THR A 95 -7.203 8.804 -0.476 1.00 0.47 C ATOM 1031 O THR A 95 -6.492 8.908 -1.477 1.00 0.60 O ATOM 1032 CB THR A 95 -7.912 10.837 0.462 1.00 0.59 C ATOM 1033 OG1 THR A 95 -7.686 11.838 1.469 1.00 1.40 O ATOM 1034 CG2 THR A 95 -9.380 10.434 0.473 1.00 1.09 C ATOM 0 H THR A 95 -5.488 11.018 0.110 1.00 0.46 H new ATOM 0 HA THR A 95 -7.369 9.302 1.594 1.00 0.46 H new ATOM 0 HB THR A 95 -7.695 11.226 -0.533 1.00 0.59 H new ATOM 0 HG1 THR A 95 -8.288 12.596 1.317 1.00 1.40 H new ATOM 0 HG21 THR A 95 -10.000 11.313 0.295 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.561 9.697 -0.310 1.00 1.09 H new ATOM 0 HG23 THR A 95 -9.632 10.003 1.442 1.00 1.09 H new ATOM 1042 N PHE A 96 -8.027 7.778 -0.274 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.347 6.808 -1.315 1.00 0.53 C ATOM 1044 C PHE A 96 -9.773 7.049 -1.786 1.00 0.62 C ATOM 1045 O PHE A 96 -10.727 6.859 -1.027 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.193 5.379 -0.796 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.761 4.962 -0.601 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.810 5.221 -1.572 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.366 4.314 0.561 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.492 4.843 -1.390 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.052 3.933 0.747 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.113 4.186 -0.254 1.00 1.03 C ATOM 0 H PHE A 96 -8.491 7.597 0.616 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.655 6.933 -2.148 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.722 5.286 0.152 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.671 4.693 -1.496 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.100 5.724 -2.483 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.096 4.105 1.329 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.759 5.069 -2.150 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -4.753 3.442 1.661 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.090 3.863 -0.131 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.913 7.498 -3.022 1.00 0.66 N ATOM 1063 CA ASP A 97 -11.208 7.941 -3.529 1.00 0.88 C ATOM 1064 C ASP A 97 -11.678 7.111 -4.721 1.00 0.95 C ATOM 1065 O ASP A 97 -12.622 7.491 -5.417 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.128 9.418 -3.917 1.00 1.17 C ATOM 1067 CG ASP A 97 -10.082 9.695 -4.975 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.453 9.917 -6.146 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -8.880 9.674 -4.640 1.00 2.57 O ATOM 0 H ASP A 97 -9.149 7.567 -3.695 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.940 7.804 -2.733 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -12.102 9.745 -4.282 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.905 10.010 -3.029 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.040 5.974 -4.943 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.437 5.080 -6.021 1.00 1.30 C ATOM 1076 C TYR A 98 -11.844 3.731 -5.443 1.00 1.26 C ATOM 1077 O TYR A 98 -11.138 3.182 -4.598 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.299 4.924 -7.032 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.630 4.043 -8.217 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.103 2.762 -8.330 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.487 4.486 -9.214 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.419 1.950 -9.402 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.805 3.683 -10.291 1.00 2.79 C ATOM 1084 CZ TYR A 98 -11.206 2.430 -10.408 1.00 2.67 C ATOM 1085 OH TYR A 98 -11.596 1.617 -11.451 1.00 3.21 O ATOM 0 H TYR A 98 -10.246 5.647 -4.393 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.292 5.506 -6.545 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.016 5.911 -7.397 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.429 4.512 -6.520 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.434 2.395 -7.566 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.913 5.476 -9.146 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.044 0.938 -9.444 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -12.511 4.022 -11.035 1.00 2.79 H new ATOM 0 HH TYR A 98 -12.154 2.128 -12.073 1.00 3.21 H new ATOM 1095 N GLN A 99 -13.005 3.231 -5.883 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.600 1.976 -5.378 1.00 1.70 C ATOM 1097 C GLN A 99 -14.212 2.193 -4.004 1.00 1.80 C ATOM 1098 O GLN A 99 -15.311 1.721 -3.710 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.584 0.824 -5.333 1.00 2.11 C ATOM 1100 CG GLN A 99 -12.027 0.457 -6.695 1.00 2.28 C ATOM 1101 CD GLN A 99 -13.118 0.290 -7.728 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -13.651 -0.803 -7.917 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -13.461 1.377 -8.397 1.00 2.81 N ATOM 0 H GLN A 99 -13.566 3.685 -6.604 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.383 1.689 -6.079 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -11.761 1.101 -4.675 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -13.060 -0.053 -4.895 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -11.333 1.231 -7.023 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.458 -0.469 -6.616 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -12.991 2.262 -8.207 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -14.195 1.331 -9.103 1.00 2.81 H new ATOM 1112 N MET A 100 -13.487 2.906 -3.175 1.00 1.50 N ATOM 1113 CA MET A 100 -13.985 3.346 -1.890 1.00 1.55 C ATOM 1114 C MET A 100 -14.283 4.830 -1.972 1.00 1.40 C ATOM 1115 O MET A 100 -13.565 5.564 -2.655 1.00 1.30 O ATOM 1116 CB MET A 100 -12.954 3.066 -0.792 1.00 1.54 C ATOM 1117 CG MET A 100 -13.433 3.437 0.602 1.00 1.64 C ATOM 1118 SD MET A 100 -14.934 2.557 1.076 1.00 2.37 S ATOM 1119 CE MET A 100 -15.227 3.247 2.703 1.00 2.85 C ATOM 0 H MET A 100 -12.530 3.199 -3.372 1.00 1.50 H new ATOM 0 HA MET A 100 -14.895 2.800 -1.640 1.00 1.55 H new ATOM 0 HB2 MET A 100 -12.697 2.007 -0.809 1.00 1.54 H new ATOM 0 HB3 MET A 100 -12.041 3.619 -1.013 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.645 3.219 1.323 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.616 4.511 0.645 1.00 1.64 H new ATOM 0 HE1 MET A 100 -16.125 2.801 3.131 1.00 2.85 H new ATOM 0 HE2 MET A 100 -14.374 3.034 3.347 1.00 2.85 H new ATOM 0 HE3 MET A 100 -15.360 4.326 2.622 1.00 2.85 H new ATOM 1129 N THR A 101 -15.355 5.273 -1.331 1.00 1.46 N ATOM 1130 CA THR A 101 -15.621 6.690 -1.261 1.00 1.40 C ATOM 1131 C THR A 101 -14.472 7.346 -0.492 1.00 1.14 C ATOM 1132 O THR A 101 -13.910 6.715 0.407 1.00 1.13 O ATOM 1133 CB THR A 101 -16.813 6.955 -0.717 1.00 1.54 C ATOM 1134 OG1 THR A 101 -17.212 8.300 -1.030 1.00 2.12 O ATOM 1135 CG2 THR A 101 -16.838 6.746 0.796 1.00 2.05 C ATOM 0 H THR A 101 -16.039 4.679 -0.862 1.00 1.46 H new ATOM 0 HA THR A 101 -15.672 7.105 -2.268 1.00 1.40 H new ATOM 0 HB THR A 101 -17.519 6.246 -1.149 1.00 1.54 H new ATOM 0 HG1 THR A 101 -18.087 8.483 -0.628 1.00 2.12 H new ATOM 0 HG21 THR A 101 -17.832 6.977 1.179 1.00 2.05 H new ATOM 0 HG22 THR A 101 -16.593 5.709 1.024 1.00 2.05 H new ATOM 0 HG23 THR A 101 -16.106 7.403 1.266 1.00 2.05 H new ATOM 1143 N PRO A 102 -14.028 8.547 -0.919 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.853 9.227 -0.363 1.00 1.00 C ATOM 1145 C PRO A 102 -12.666 9.050 1.143 1.00 0.92 C ATOM 1146 O PRO A 102 -13.215 9.808 1.946 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.125 10.686 -0.703 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.848 10.631 -2.003 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.627 9.338 -2.013 1.00 1.44 C ATOM 0 HA PRO A 102 -11.930 8.819 -0.776 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.727 11.169 0.067 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.199 11.255 -0.786 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.516 11.486 -2.111 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.147 10.667 -2.837 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.690 9.512 -1.843 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.537 8.826 -2.971 1.00 1.44 H new ATOM 1157 N THR A 103 -11.915 8.022 1.517 1.00 0.73 N ATOM 1158 CA THR A 103 -11.542 7.821 2.904 1.00 0.70 C ATOM 1159 C THR A 103 -10.053 8.114 3.086 1.00 0.58 C ATOM 1160 O THR A 103 -9.257 7.922 2.165 1.00 0.54 O ATOM 1161 CB THR A 103 -11.849 6.599 3.330 1.00 0.81 C ATOM 1162 OG1 THR A 103 -11.672 6.509 4.754 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.024 5.515 2.641 1.00 1.40 C ATOM 0 H THR A 103 -11.554 7.316 0.876 1.00 0.73 H new ATOM 0 HA THR A 103 -12.117 8.517 3.515 1.00 0.70 H new ATOM 0 HB THR A 103 -12.895 6.428 3.074 1.00 0.81 H new ATOM 0 HG1 THR A 103 -11.903 5.606 5.056 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.314 4.537 3.025 1.00 1.40 H new ATOM 0 HG22 THR A 103 -11.202 5.550 1.566 1.00 1.40 H new ATOM 0 HG23 THR A 103 -9.965 5.683 2.839 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.682 8.638 4.242 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.321 9.096 4.449 1.00 0.59 C ATOM 1173 C LYS A 104 -7.553 8.145 5.351 1.00 0.58 C ATOM 1174 O LYS A 104 -7.977 7.844 6.468 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.317 10.506 5.036 1.00 0.75 C ATOM 1176 CG LYS A 104 -6.924 11.075 5.224 1.00 1.45 C ATOM 1177 CD LYS A 104 -6.969 12.504 5.727 1.00 1.90 C ATOM 1178 CE LYS A 104 -5.572 13.050 5.943 1.00 2.46 C ATOM 1179 NZ LYS A 104 -5.585 14.458 6.417 1.00 3.08 N ATOM 0 H LYS A 104 -10.300 8.756 5.045 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.822 9.117 3.480 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.886 11.166 4.381 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -8.829 10.493 5.998 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -6.370 10.457 5.931 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -6.384 11.038 4.278 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -7.500 13.129 5.009 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -7.528 12.546 6.662 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -5.050 12.429 6.671 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -5.012 12.988 5.010 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -4.613 14.826 6.437 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -6.161 15.036 5.772 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -5.990 14.498 7.374 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.420 7.677 4.856 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.589 6.743 5.593 1.00 0.47 C ATOM 1195 C VAL A 105 -4.192 7.309 5.814 1.00 0.40 C ATOM 1196 O VAL A 105 -3.812 8.319 5.216 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.486 5.571 4.981 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -6.837 4.859 4.940 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.904 5.725 3.583 1.00 0.94 C ATOM 0 H VAL A 105 -6.053 7.932 3.939 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.081 6.590 6.554 1.00 0.47 H new ATOM 0 HB VAL A 105 -4.796 4.954 5.557 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.728 3.900 4.433 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.192 4.694 5.957 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.556 5.475 4.400 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.833 4.746 3.109 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.551 6.370 2.989 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -3.911 6.169 3.649 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.453 6.676 6.705 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.072 7.023 6.946 1.00 0.42 C ATOM 1211 C LYS A 106 -1.212 5.815 6.617 1.00 0.40 C ATOM 1212 O LYS A 106 -1.395 4.736 7.188 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.868 7.465 8.397 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.532 8.148 8.647 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.464 8.745 10.045 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.418 7.667 11.117 1.00 1.56 C ATOM 1217 NZ LYS A 106 -0.470 8.239 12.486 1.00 1.69 N ATOM 0 H LYS A 106 -3.796 5.907 7.280 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.784 7.862 6.312 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.672 8.146 8.676 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -1.948 6.594 9.047 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.276 7.428 8.518 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.380 8.934 7.907 1.00 0.71 H new ATOM 0 HD2 LYS A 106 0.420 9.378 10.128 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -1.331 9.385 10.210 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.255 6.982 10.978 1.00 1.56 H new ATOM 0 HE3 LYS A 106 0.495 7.082 11.003 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -0.436 7.470 13.185 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 0.342 8.872 12.629 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -1.353 8.776 12.605 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.292 5.998 5.690 1.00 0.37 N ATOM 1232 CA VAL A 107 0.466 4.912 5.128 1.00 0.42 C ATOM 1233 C VAL A 107 1.873 4.923 5.705 1.00 0.40 C ATOM 1234 O VAL A 107 2.715 5.742 5.320 1.00 0.54 O ATOM 1235 CB VAL A 107 0.513 5.033 3.806 1.00 0.46 C ATOM 1236 CG1 VAL A 107 1.327 3.914 3.173 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -0.887 5.074 3.209 1.00 1.27 C ATOM 0 H VAL A 107 -0.053 6.913 5.307 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.015 3.966 5.378 1.00 0.42 H new ATOM 0 HB VAL A 107 1.009 5.978 3.585 1.00 0.46 H new ATOM 0 HG11 VAL A 107 1.345 4.044 2.091 1.00 1.26 H new ATOM 0 HG12 VAL A 107 2.346 3.943 3.558 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.874 2.953 3.416 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -0.818 5.173 2.126 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.415 4.153 3.456 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.432 5.925 3.617 1.00 1.27 H new ATOM 1247 N HIS A 108 2.126 4.020 6.630 1.00 0.34 N ATOM 1248 CA HIS A 108 3.440 3.896 7.223 1.00 0.34 C ATOM 1249 C HIS A 108 4.113 2.657 6.659 1.00 0.32 C ATOM 1250 O HIS A 108 3.803 1.540 7.055 1.00 0.44 O ATOM 1251 CB HIS A 108 3.318 3.796 8.749 1.00 0.45 C ATOM 1252 CG HIS A 108 4.606 3.986 9.497 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.648 4.207 10.853 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.895 3.983 9.081 1.00 0.54 C ATOM 1255 CE1 HIS A 108 5.900 4.332 11.241 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.683 4.201 10.185 1.00 0.68 N ATOM 0 H HIS A 108 1.436 3.360 6.988 1.00 0.34 H new ATOM 0 HA HIS A 108 4.041 4.774 6.987 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.601 4.542 9.092 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.907 2.819 9.003 1.00 0.45 H new ATOM 0 HD2 HIS A 108 6.240 3.836 8.068 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.231 4.512 12.253 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.702 4.253 10.189 1.00 0.68 H new ATOM 1265 N MET A 109 5.019 2.855 5.724 1.00 0.30 N ATOM 1266 CA MET A 109 5.704 1.731 5.096 1.00 0.39 C ATOM 1267 C MET A 109 7.133 1.624 5.615 1.00 0.34 C ATOM 1268 O MET A 109 7.737 2.629 5.994 1.00 0.45 O ATOM 1269 CB MET A 109 5.653 1.853 3.563 1.00 0.65 C ATOM 1270 CG MET A 109 6.631 2.843 2.950 1.00 0.87 C ATOM 1271 SD MET A 109 8.242 2.108 2.610 1.00 2.22 S ATOM 1272 CE MET A 109 9.000 3.409 1.645 1.00 2.49 C ATOM 0 H MET A 109 5.300 3.773 5.380 1.00 0.30 H new ATOM 0 HA MET A 109 5.189 0.808 5.363 1.00 0.39 H new ATOM 0 HB2 MET A 109 5.841 0.870 3.132 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.643 2.141 3.273 1.00 0.65 H new ATOM 0 HG2 MET A 109 6.212 3.235 2.023 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.757 3.689 3.626 1.00 0.87 H new ATOM 0 HE1 MET A 109 9.769 2.983 1.001 1.00 2.49 H new ATOM 0 HE2 MET A 109 8.242 3.896 1.032 1.00 2.49 H new ATOM 0 HE3 MET A 109 9.452 4.142 2.314 1.00 2.49 H new ATOM 1282 N LYS A 110 7.661 0.402 5.655 1.00 0.32 N ATOM 1283 CA LYS A 110 8.980 0.141 6.229 1.00 0.35 C ATOM 1284 C LYS A 110 9.641 -0.991 5.466 1.00 0.32 C ATOM 1285 O LYS A 110 8.960 -1.898 5.008 1.00 0.45 O ATOM 1286 CB LYS A 110 8.866 -0.255 7.707 1.00 0.50 C ATOM 1287 CG LYS A 110 8.247 0.808 8.599 1.00 0.97 C ATOM 1288 CD LYS A 110 8.084 0.333 10.039 1.00 0.91 C ATOM 1289 CE LYS A 110 9.413 0.237 10.785 1.00 1.31 C ATOM 1290 NZ LYS A 110 10.236 -0.928 10.361 1.00 1.57 N ATOM 0 H LYS A 110 7.192 -0.428 5.294 1.00 0.32 H new ATOM 0 HA LYS A 110 9.576 1.051 6.155 1.00 0.35 H new ATOM 0 HB2 LYS A 110 8.271 -1.165 7.781 1.00 0.50 H new ATOM 0 HB3 LYS A 110 9.861 -0.493 8.084 1.00 0.50 H new ATOM 0 HG2 LYS A 110 8.871 1.702 8.582 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.273 1.092 8.200 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.423 1.018 10.570 1.00 0.91 H new ATOM 0 HD3 LYS A 110 7.600 -0.643 10.042 1.00 0.91 H new ATOM 0 HE2 LYS A 110 9.981 1.153 10.624 1.00 1.31 H new ATOM 0 HE3 LYS A 110 9.218 0.167 11.855 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 10.633 -1.397 11.200 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.641 -1.601 9.837 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 11.010 -0.601 9.748 1.00 1.57 H new ATOM 1304 N LYS A 111 10.952 -0.958 5.340 1.00 0.37 N ATOM 1305 CA LYS A 111 11.651 -1.983 4.587 1.00 0.38 C ATOM 1306 C LYS A 111 11.987 -3.176 5.466 1.00 0.43 C ATOM 1307 O LYS A 111 12.416 -3.026 6.610 1.00 0.60 O ATOM 1308 CB LYS A 111 12.927 -1.422 3.949 1.00 0.49 C ATOM 1309 CG LYS A 111 13.656 -2.414 3.043 1.00 0.56 C ATOM 1310 CD LYS A 111 14.665 -3.267 3.807 1.00 1.03 C ATOM 1311 CE LYS A 111 15.745 -2.417 4.456 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.741 -3.243 5.184 1.00 2.13 N ATOM 0 H LYS A 111 11.552 -0.240 5.745 1.00 0.37 H new ATOM 0 HA LYS A 111 10.984 -2.318 3.793 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.671 -0.535 3.369 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.605 -1.101 4.739 1.00 0.49 H new ATOM 0 HG2 LYS A 111 12.927 -3.064 2.560 1.00 0.56 H new ATOM 0 HG3 LYS A 111 14.171 -1.869 2.252 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.147 -3.844 4.573 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.126 -3.983 3.126 1.00 1.03 H new ATOM 0 HE2 LYS A 111 16.252 -1.829 3.691 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.284 -1.712 5.148 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.459 -2.624 5.611 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.262 -3.785 5.931 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.200 -3.899 4.520 1.00 2.13 H new ATOM 1326 N ALA A 112 11.784 -4.354 4.911 1.00 0.44 N ATOM 1327 CA ALA A 112 12.211 -5.589 5.531 1.00 0.59 C ATOM 1328 C ALA A 112 12.749 -6.499 4.443 1.00 0.92 C ATOM 1329 O ALA A 112 12.834 -6.092 3.285 1.00 1.57 O ATOM 1330 CB ALA A 112 11.058 -6.248 6.272 1.00 0.96 C ATOM 0 H ALA A 112 11.316 -4.480 4.013 1.00 0.44 H new ATOM 0 HA ALA A 112 12.991 -5.389 6.266 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.402 -7.175 6.730 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.691 -5.575 7.047 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.253 -6.467 5.571 1.00 0.96 H new ATOM 1336 N LEU A 113 13.120 -7.711 4.789 1.00 1.01 N ATOM 1337 CA LEU A 113 13.568 -8.641 3.779 1.00 1.49 C ATOM 1338 C LEU A 113 12.370 -9.462 3.297 1.00 1.26 C ATOM 1339 O LEU A 113 11.626 -8.997 2.433 1.00 2.05 O ATOM 1340 CB LEU A 113 14.720 -9.508 4.305 1.00 2.52 C ATOM 1341 CG LEU A 113 15.449 -10.335 3.249 1.00 3.38 C ATOM 1342 CD1 LEU A 113 15.982 -9.434 2.144 1.00 3.91 C ATOM 1343 CD2 LEU A 113 16.584 -11.117 3.887 1.00 4.41 C ATOM 0 H LEU A 113 13.121 -8.071 5.743 1.00 1.01 H new ATOM 0 HA LEU A 113 13.972 -8.102 2.922 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.444 -8.860 4.799 1.00 2.52 H new ATOM 0 HB3 LEU A 113 14.327 -10.184 5.064 1.00 2.52 H new ATOM 0 HG LEU A 113 14.743 -11.040 2.810 1.00 3.38 H new ATOM 0 HD11 LEU A 113 16.499 -10.039 1.399 1.00 3.91 H new ATOM 0 HD12 LEU A 113 15.152 -8.908 1.672 1.00 3.91 H new ATOM 0 HD13 LEU A 113 16.677 -8.709 2.569 1.00 3.91 H new ATOM 0 HD21 LEU A 113 17.096 -11.703 3.124 1.00 4.41 H new ATOM 0 HD22 LEU A 113 17.289 -10.425 4.347 1.00 4.41 H new ATOM 0 HD23 LEU A 113 16.182 -11.785 4.649 1.00 4.41 H new ATOM 1355 N SER A 114 12.149 -10.639 3.887 1.00 1.21 N ATOM 1356 CA SER A 114 10.964 -11.468 3.619 1.00 1.56 C ATOM 1357 C SER A 114 10.603 -11.546 2.125 1.00 1.72 C ATOM 1358 O SER A 114 9.424 -11.554 1.766 1.00 2.36 O ATOM 1359 CB SER A 114 9.771 -10.939 4.436 1.00 2.13 C ATOM 1360 OG SER A 114 9.573 -9.547 4.237 1.00 2.55 O ATOM 0 H SER A 114 12.788 -11.049 4.568 1.00 1.21 H new ATOM 0 HA SER A 114 11.206 -12.486 3.925 1.00 1.56 H new ATOM 0 HB2 SER A 114 8.868 -11.479 4.152 1.00 2.13 H new ATOM 0 HB3 SER A 114 9.940 -11.135 5.495 1.00 2.13 H new ATOM 0 HG SER A 114 10.128 -9.044 4.869 1.00 2.55 H new ATOM 1366 N GLY A 115 11.614 -11.631 1.264 1.00 1.73 N ATOM 1367 CA GLY A 115 11.365 -11.692 -0.165 1.00 2.05 C ATOM 1368 C GLY A 115 11.665 -10.386 -0.876 1.00 1.87 C ATOM 1369 O GLY A 115 11.240 -10.189 -2.017 1.00 2.62 O ATOM 0 H GLY A 115 12.598 -11.659 1.530 1.00 1.73 H new ATOM 0 HA2 GLY A 115 11.974 -12.484 -0.601 1.00 2.05 H new ATOM 0 HA3 GLY A 115 10.322 -11.961 -0.335 1.00 2.05 H new ATOM 1373 N ASP A 116 12.397 -9.504 -0.195 1.00 1.38 N ATOM 1374 CA ASP A 116 12.810 -8.209 -0.749 1.00 1.29 C ATOM 1375 C ASP A 116 11.590 -7.334 -1.031 1.00 1.01 C ATOM 1376 O ASP A 116 11.038 -7.352 -2.133 1.00 1.32 O ATOM 1377 CB ASP A 116 13.638 -8.395 -2.030 1.00 1.58 C ATOM 1378 CG ASP A 116 14.386 -7.142 -2.441 1.00 2.09 C ATOM 1379 OD1 ASP A 116 13.782 -6.256 -3.080 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.595 -7.048 -2.139 1.00 2.42 O ATOM 0 H ASP A 116 12.722 -9.665 0.758 1.00 1.38 H new ATOM 0 HA ASP A 116 13.436 -7.711 -0.008 1.00 1.29 H new ATOM 0 HB2 ASP A 116 14.352 -9.205 -1.880 1.00 1.58 H new ATOM 0 HB3 ASP A 116 12.977 -8.699 -2.842 1.00 1.58 H new ATOM 1385 N SER A 117 11.159 -6.588 -0.019 1.00 0.60 N ATOM 1386 CA SER A 117 9.957 -5.772 -0.117 1.00 0.36 C ATOM 1387 C SER A 117 9.787 -4.906 1.133 1.00 0.34 C ATOM 1388 O SER A 117 10.645 -4.903 2.017 1.00 0.54 O ATOM 1389 CB SER A 117 8.727 -6.667 -0.325 1.00 0.35 C ATOM 1390 OG SER A 117 8.811 -7.828 0.486 1.00 1.07 O ATOM 0 H SER A 117 11.629 -6.533 0.884 1.00 0.60 H new ATOM 0 HA SER A 117 10.057 -5.109 -0.977 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.821 -6.112 -0.082 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.653 -6.954 -1.374 1.00 0.35 H new ATOM 0 HG SER A 117 8.489 -8.604 -0.019 1.00 1.07 H new ATOM 1396 N TYR A 118 8.688 -4.169 1.199 1.00 0.22 N ATOM 1397 CA TYR A 118 8.419 -3.285 2.298 1.00 0.24 C ATOM 1398 C TYR A 118 7.120 -3.691 2.948 1.00 0.24 C ATOM 1399 O TYR A 118 6.200 -4.173 2.285 1.00 0.26 O ATOM 1400 CB TYR A 118 8.320 -1.837 1.806 1.00 0.30 C ATOM 1401 CG TYR A 118 9.508 -1.413 0.979 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.550 -1.673 -0.380 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.589 -0.779 1.563 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.645 -1.314 -1.141 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.689 -0.408 0.812 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.712 -0.680 -0.539 1.00 0.67 C ATOM 1407 OH TYR A 118 12.812 -0.328 -1.290 1.00 0.86 O ATOM 0 H TYR A 118 7.961 -4.175 0.483 1.00 0.22 H new ATOM 0 HA TYR A 118 9.233 -3.351 3.020 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.412 -1.722 1.214 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.227 -1.173 2.665 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.713 -2.165 -0.853 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.574 -0.570 2.623 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.666 -1.528 -2.199 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.524 0.091 1.281 1.00 0.72 H new ATOM 0 HH TYR A 118 13.474 0.111 -0.715 1.00 0.86 H new ATOM 1417 N TRP A 119 7.048 -3.489 4.236 1.00 0.27 N ATOM 1418 CA TRP A 119 5.852 -3.770 4.976 1.00 0.30 C ATOM 1419 C TRP A 119 5.143 -2.467 5.257 1.00 0.33 C ATOM 1420 O TRP A 119 5.568 -1.674 6.099 1.00 0.38 O ATOM 1421 CB TRP A 119 6.192 -4.509 6.268 1.00 0.36 C ATOM 1422 CG TRP A 119 6.519 -5.953 6.033 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.716 -6.472 5.630 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.625 -7.061 6.166 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.622 -7.839 5.510 1.00 0.52 N ATOM 1426 CE2 TRP A 119 6.349 -8.225 5.833 1.00 0.48 C ATOM 1427 CE3 TRP A 119 4.283 -7.187 6.536 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.774 -9.491 5.863 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.717 -8.447 6.563 1.00 0.63 C ATOM 1430 CH2 TRP A 119 4.462 -9.583 6.229 1.00 0.62 C ATOM 0 H TRP A 119 7.817 -3.125 4.799 1.00 0.27 H new ATOM 0 HA TRP A 119 5.193 -4.416 4.396 1.00 0.30 H new ATOM 0 HB2 TRP A 119 7.040 -4.021 6.750 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.350 -4.438 6.956 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.607 -5.893 5.434 1.00 0.48 H new ATOM 0 HE1 TRP A 119 8.377 -8.463 5.227 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.700 -6.316 6.796 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 6.345 -10.371 5.606 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.681 -8.557 6.847 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.989 -10.553 6.261 1.00 0.62 H new ATOM 1441 N VAL A 120 4.083 -2.239 4.511 1.00 0.33 N ATOM 1442 CA VAL A 120 3.341 -1.003 4.612 1.00 0.37 C ATOM 1443 C VAL A 120 2.073 -1.179 5.453 1.00 0.40 C ATOM 1444 O VAL A 120 1.349 -2.167 5.327 1.00 0.55 O ATOM 1445 CB VAL A 120 3.051 -0.529 3.398 1.00 0.40 C ATOM 1446 CG1 VAL A 120 2.255 -1.536 2.575 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.319 0.797 3.473 1.00 0.91 C ATOM 0 H VAL A 120 3.715 -2.898 3.825 1.00 0.33 H new ATOM 0 HA VAL A 120 3.971 -0.274 5.122 1.00 0.37 H new ATOM 0 HB VAL A 120 4.001 -0.359 2.892 1.00 0.40 H new ATOM 0 HG11 VAL A 120 2.038 -1.114 1.594 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.837 -2.450 2.456 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.320 -1.765 3.086 1.00 0.90 H new ATOM 0 HG21 VAL A 120 2.101 1.150 2.465 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.386 0.667 4.022 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.943 1.529 3.986 1.00 0.91 H new ATOM 1457 N PHE A 121 1.872 -0.253 6.379 1.00 0.39 N ATOM 1458 CA PHE A 121 0.720 -0.277 7.261 1.00 0.41 C ATOM 1459 C PHE A 121 -0.285 0.777 6.826 1.00 0.41 C ATOM 1460 O PHE A 121 -0.008 1.978 6.889 1.00 0.49 O ATOM 1461 CB PHE A 121 1.152 -0.036 8.712 1.00 0.48 C ATOM 1462 CG PHE A 121 2.157 -1.038 9.216 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.513 -0.755 9.183 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.744 -2.263 9.717 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.438 -1.673 9.640 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.666 -3.185 10.177 1.00 0.79 C ATOM 1467 CZ PHE A 121 4.015 -2.889 10.138 1.00 0.73 C ATOM 0 H PHE A 121 2.502 0.533 6.538 1.00 0.39 H new ATOM 0 HA PHE A 121 0.251 -1.259 7.202 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.576 0.965 8.795 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.271 -0.063 9.354 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.851 0.195 8.795 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.691 -2.500 9.748 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.492 -1.440 9.608 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.332 -4.135 10.566 1.00 0.79 H new ATOM 0 HZ PHE A 121 4.737 -3.608 10.496 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.441 0.321 6.372 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.468 1.206 5.850 1.00 0.51 C ATOM 1479 C VAL A 122 -3.688 1.197 6.763 1.00 0.54 C ATOM 1480 O VAL A 122 -4.473 0.247 6.760 1.00 0.76 O ATOM 1481 CB VAL A 122 -2.840 0.840 4.629 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -3.828 1.845 4.042 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -1.640 0.665 3.708 1.00 1.16 C ATOM 0 H VAL A 122 -1.693 -0.667 6.355 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.047 2.210 5.806 1.00 0.51 H new ATOM 0 HB VAL A 122 -3.337 -0.127 4.711 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -4.120 1.526 3.041 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -4.712 1.900 4.678 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -3.359 2.827 3.987 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -1.982 0.365 2.717 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -1.097 1.607 3.635 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -0.980 -0.103 4.112 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.849 2.259 7.537 1.00 0.52 N ATOM 1494 CA LYS A 123 -5.022 2.406 8.390 1.00 0.66 C ATOM 1495 C LYS A 123 -5.438 3.869 8.429 1.00 0.55 C ATOM 1496 O LYS A 123 -4.633 4.745 8.122 1.00 0.51 O ATOM 1497 CB LYS A 123 -4.762 1.860 9.806 1.00 0.93 C ATOM 1498 CG LYS A 123 -3.963 2.774 10.735 1.00 1.36 C ATOM 1499 CD LYS A 123 -2.561 3.062 10.224 1.00 1.80 C ATOM 1500 CE LYS A 123 -1.638 3.505 11.350 1.00 2.62 C ATOM 1501 NZ LYS A 123 -2.263 4.527 12.235 1.00 3.31 N ATOM 0 H LYS A 123 -3.185 3.031 7.593 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.837 1.817 7.971 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -5.723 1.647 10.275 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -4.233 0.911 9.718 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -4.499 3.715 10.859 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -3.897 2.313 11.720 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -2.155 2.169 9.749 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.603 3.838 9.460 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -1.356 2.637 11.946 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -0.720 3.911 10.924 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -1.527 4.989 12.806 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -2.749 5.239 11.654 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -2.951 4.067 12.865 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.685 4.132 8.791 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.213 5.490 8.772 1.00 0.76 C ATOM 1517 C ARG A 124 -6.572 6.343 9.859 1.00 0.85 C ATOM 1518 O ARG A 124 -6.879 6.194 11.042 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.734 5.478 8.929 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.453 4.799 7.775 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.953 4.751 8.009 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.281 4.076 9.260 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.349 3.302 9.441 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -13.203 3.096 8.443 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -12.550 2.736 10.625 1.00 4.03 N ATOM 0 H ARG A 124 -7.351 3.424 9.101 1.00 0.67 H new ATOM 0 HA ARG A 124 -6.967 5.932 7.807 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -8.992 4.970 9.858 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.091 6.504 9.017 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -9.245 5.334 6.849 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.070 3.786 7.651 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.351 5.765 8.027 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.435 4.234 7.179 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.649 4.206 10.050 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.041 3.532 7.535 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -14.020 2.502 8.585 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -11.889 2.896 11.385 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -13.365 2.141 10.774 1.00 4.03 H new ATOM 1539 N VAL A 125 -5.672 7.223 9.423 1.00 1.06 N ATOM 1540 CA VAL A 125 -4.953 8.150 10.296 1.00 1.33 C ATOM 1541 C VAL A 125 -4.332 7.416 11.492 1.00 2.00 C ATOM 1542 O VAL A 125 -3.317 6.716 11.292 1.00 2.87 O ATOM 1543 CB VAL A 125 -5.736 9.140 10.717 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -4.912 10.243 11.377 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -6.563 9.716 9.574 1.00 2.08 C ATOM 1546 OXT VAL A 125 -4.849 7.542 12.625 1.00 2.26 O ATOM 0 H VAL A 125 -5.418 7.313 8.439 1.00 1.06 H new ATOM 0 HA VAL A 125 -4.150 8.588 9.703 1.00 1.33 H new ATOM 0 HB VAL A 125 -6.419 8.724 11.457 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -5.575 11.041 11.713 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -4.375 9.833 12.232 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -4.198 10.643 10.658 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -7.192 10.523 9.951 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -5.897 10.104 8.803 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -7.192 8.933 9.150 1.00 2.08 H new