USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 769 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 62 GLN : amide:sc= 0.822 K(o=1.7,f=-6.6!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 148:sc= 0.861 (180deg=0) USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= -0.0261 F(o=-1.9,f=0.057) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -115:sc= 0.0829 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 116:sc= 0.49 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.439 USER MOD Single : A 1 MET CE :methyl -133:sc= -2.18 (180deg=-3.73!) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.314 (180deg=-0.0275) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0.0173 (180deg=0.0134) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.0277 (180deg=-0.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -43:sc= 1.07 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00116 USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= -2.54 (180deg=-7.21!) USER MOD Single : A 31 GLN : amide:sc= -3.18 K(o=-3.2,f=-5.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.49 K(o=-1.5,f=-5.7!) USER MOD Single : A 41 GLN : amide:sc= -8.93! C(o=-8.9!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.682 K(o=-0.68,f=-6.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -125:sc= 0.634 USER MOD Single : A 60 ASN : amide:sc= -0.0065 X(o=-0.0065,f=0) USER MOD Single : A 65 SER OG : rot 130:sc= -0.93! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.904 K(o=-0.9,f=-2.1!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -2.24 K(o=-2.2,f=-6.2!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 11:sc= 0.678 USER MOD Single : B 37 GLN : amide:sc= -0.726 X(o=-0.73,f=-0.54) USER MOD Single : B 39 MET CE :methyl 177:sc= 0 (180deg=-0.0172) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 22 6.416 -0.556 -10.981 1.00 0.00 N ATOM 2 CA ASP B 22 5.459 -1.048 -11.966 1.00 0.00 C ATOM 3 C ASP B 22 4.521 0.066 -12.417 1.00 0.00 C ATOM 4 O ASP B 22 4.746 1.240 -12.119 1.00 0.00 O ATOM 5 CB ASP B 22 4.650 -2.210 -11.384 1.00 0.00 C ATOM 6 CG ASP B 22 4.406 -3.309 -12.398 1.00 0.00 C ATOM 7 OD1 ASP B 22 4.371 -3.004 -13.608 1.00 0.00 O1- ATOM 8 OD2 ASP B 22 4.250 -4.476 -11.981 1.00 0.00 O ATOM 0 HA ASP B 22 6.016 -1.401 -12.834 1.00 0.00 H new ATOM 0 HB2 ASP B 22 5.179 -2.623 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP B 22 3.693 -1.836 -11.020 1.00 0.00 H new ATOM 13 N THR B 23 3.468 -0.307 -13.139 1.00 0.00 N ATOM 14 CA THR B 23 2.496 0.661 -13.631 1.00 0.00 C ATOM 15 C THR B 23 1.852 1.423 -12.475 1.00 0.00 C ATOM 16 O THR B 23 1.571 2.616 -12.586 1.00 0.00 O ATOM 17 CB THR B 23 1.418 -0.042 -14.456 1.00 0.00 C ATOM 18 OG1 THR B 23 0.735 -1.005 -13.673 1.00 0.00 O ATOM 19 CG2 THR B 23 1.965 -0.748 -15.679 1.00 0.00 C ATOM 0 H THR B 23 3.267 -1.274 -13.396 1.00 0.00 H new ATOM 0 HA THR B 23 3.021 1.375 -14.265 1.00 0.00 H new ATOM 0 HB THR B 23 0.744 0.749 -14.784 1.00 0.00 H new ATOM 0 HG1 THR B 23 0.048 -1.443 -14.218 1.00 0.00 H new ATOM 0 HG21 THR B 23 1.148 -1.226 -16.219 1.00 0.00 H new ATOM 0 HG22 THR B 23 2.455 -0.023 -16.329 1.00 0.00 H new ATOM 0 HG23 THR B 23 2.687 -1.504 -15.370 1.00 0.00 H new ATOM 27 N GLN B 24 1.623 0.724 -11.369 1.00 0.00 N ATOM 28 CA GLN B 24 1.014 1.334 -10.193 1.00 0.00 C ATOM 29 C GLN B 24 1.930 2.398 -9.596 1.00 0.00 C ATOM 30 O GLN B 24 1.507 3.528 -9.349 1.00 0.00 O ATOM 31 CB GLN B 24 0.701 0.267 -9.143 1.00 0.00 C ATOM 32 CG GLN B 24 -0.684 -0.342 -9.287 1.00 0.00 C ATOM 33 CD GLN B 24 -1.696 0.285 -8.348 1.00 0.00 C ATOM 34 OE1 GLN B 24 -2.229 -0.378 -7.459 1.00 0.00 O ATOM 35 NE2 GLN B 24 -1.967 1.571 -8.543 1.00 0.00 N ATOM 0 H GLN B 24 1.850 -0.265 -11.262 1.00 0.00 H new ATOM 0 HA GLN B 24 0.085 1.812 -10.503 1.00 0.00 H new ATOM 0 HB2 GLN B 24 1.446 -0.526 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN B 24 0.793 0.708 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -1.025 -0.222 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -0.628 -1.413 -9.093 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -1.501 2.082 -9.293 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -2.641 2.047 -7.943 1.00 0.00 H new ATOM 44 N ASP B 25 3.186 2.029 -9.367 1.00 0.00 N ATOM 45 CA ASP B 25 4.163 2.952 -8.800 1.00 0.00 C ATOM 46 C ASP B 25 4.343 4.174 -9.695 1.00 0.00 C ATOM 47 O ASP B 25 4.659 5.263 -9.217 1.00 0.00 O ATOM 48 CB ASP B 25 5.507 2.248 -8.603 1.00 0.00 C ATOM 49 CG ASP B 25 5.410 1.078 -7.644 1.00 0.00 C ATOM 50 OD1 ASP B 25 4.622 0.148 -7.917 1.00 0.00 O1- ATOM 51 OD2 ASP B 25 6.123 1.091 -6.618 1.00 0.00 O ATOM 0 H ASP B 25 3.551 1.098 -9.565 1.00 0.00 H new ATOM 0 HA ASP B 25 3.789 3.286 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP B 25 5.874 1.895 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.238 2.964 -8.226 1.00 0.00 H new ATOM 56 N ASP B 26 4.139 3.986 -10.995 1.00 0.00 N ATOM 57 CA ASP B 26 4.278 5.073 -11.957 1.00 0.00 C ATOM 58 C ASP B 26 3.337 6.225 -11.619 1.00 0.00 C ATOM 59 O ASP B 26 3.762 7.374 -11.509 1.00 0.00 O ATOM 60 CB ASP B 26 3.998 4.568 -13.373 1.00 0.00 C ATOM 61 CG ASP B 26 4.887 5.227 -14.410 1.00 0.00 C ATOM 62 OD1 ASP B 26 6.044 5.555 -14.075 1.00 0.00 O1- ATOM 63 OD2 ASP B 26 4.425 5.415 -15.555 1.00 0.00 O ATOM 0 H ASP B 26 3.877 3.090 -11.406 1.00 0.00 H new ATOM 0 HA ASP B 26 5.303 5.440 -11.906 1.00 0.00 H new ATOM 0 HB2 ASP B 26 4.145 3.488 -13.406 1.00 0.00 H new ATOM 0 HB3 ASP B 26 2.954 4.755 -13.622 1.00 0.00 H new ATOM 68 N PHE B 27 2.057 5.908 -11.455 1.00 0.00 N ATOM 69 CA PHE B 27 1.055 6.917 -11.130 1.00 0.00 C ATOM 70 C PHE B 27 1.383 7.605 -9.808 1.00 0.00 C ATOM 71 O PHE B 27 1.001 8.754 -9.585 1.00 0.00 O ATOM 72 CB PHE B 27 -0.334 6.283 -11.058 1.00 0.00 C ATOM 73 CG PHE B 27 -1.429 7.265 -10.748 1.00 0.00 C ATOM 74 CD1 PHE B 27 -1.649 7.689 -9.446 1.00 0.00 C ATOM 75 CD2 PHE B 27 -2.236 7.764 -11.756 1.00 0.00 C ATOM 76 CE1 PHE B 27 -2.654 8.591 -9.158 1.00 0.00 C ATOM 77 CE2 PHE B 27 -3.243 8.667 -11.473 1.00 0.00 C ATOM 78 CZ PHE B 27 -3.452 9.081 -10.173 1.00 0.00 C ATOM 0 H PHE B 27 1.689 4.961 -11.542 1.00 0.00 H new ATOM 0 HA PHE B 27 1.063 7.667 -11.920 1.00 0.00 H new ATOM 0 HB2 PHE B 27 -0.552 5.797 -12.009 1.00 0.00 H new ATOM 0 HB3 PHE B 27 -0.330 5.504 -10.296 1.00 0.00 H new ATOM 0 HD1 PHE B 27 -1.027 7.309 -8.649 1.00 0.00 H new ATOM 0 HD2 PHE B 27 -2.077 7.444 -12.775 1.00 0.00 H new ATOM 0 HE1 PHE B 27 -2.816 8.913 -8.140 1.00 0.00 H new ATOM 0 HE2 PHE B 27 -3.866 9.049 -12.268 1.00 0.00 H new ATOM 0 HZ PHE B 27 -4.238 9.787 -9.950 1.00 0.00 H new ATOM 88 N LEU B 28 2.094 6.899 -8.933 1.00 0.00 N ATOM 89 CA LEU B 28 2.470 7.451 -7.638 1.00 0.00 C ATOM 90 C LEU B 28 3.305 8.714 -7.811 1.00 0.00 C ATOM 91 O LEU B 28 3.162 9.674 -7.053 1.00 0.00 O ATOM 92 CB LEU B 28 3.246 6.415 -6.823 1.00 0.00 C ATOM 93 CG LEU B 28 3.386 6.738 -5.335 1.00 0.00 C ATOM 94 CD1 LEU B 28 2.025 7.033 -4.721 1.00 0.00 C ATOM 95 CD2 LEU B 28 4.064 5.589 -4.603 1.00 0.00 C ATOM 0 H LEU B 28 2.420 5.947 -9.098 1.00 0.00 H new ATOM 0 HA LEU B 28 1.558 7.711 -7.101 1.00 0.00 H new ATOM 0 HB2 LEU B 28 2.751 5.449 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU B 28 4.242 6.309 -7.252 1.00 0.00 H new ATOM 0 HG LEU B 28 4.008 7.627 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU B 28 2.145 7.261 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.575 7.887 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.379 6.163 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU B 28 4.156 5.835 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU B 28 3.467 4.684 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU B 28 5.056 5.424 -5.024 1.00 0.00 H new ATOM 107 N LYS B 29 4.174 8.710 -8.817 1.00 0.00 N ATOM 108 CA LYS B 29 5.027 9.859 -9.093 1.00 0.00 C ATOM 109 C LYS B 29 4.194 11.038 -9.582 1.00 0.00 C ATOM 110 O LYS B 29 4.517 12.195 -9.312 1.00 0.00 O ATOM 111 CB LYS B 29 6.085 9.497 -10.138 1.00 0.00 C ATOM 112 CG LYS B 29 7.008 8.370 -9.706 1.00 0.00 C ATOM 113 CD LYS B 29 8.062 8.077 -10.761 1.00 0.00 C ATOM 114 CE LYS B 29 9.223 9.055 -10.674 1.00 0.00 C ATOM 115 NZ LYS B 29 9.747 9.418 -12.020 1.00 0.00 N1+ ATOM 0 H LYS B 29 4.305 7.924 -9.454 1.00 0.00 H new ATOM 0 HA LYS B 29 5.528 10.145 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.586 9.212 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS B 29 6.683 10.381 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS B 29 7.495 8.637 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.422 7.471 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS B 29 8.432 7.059 -10.635 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.612 8.132 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS B 29 8.899 9.957 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS B 29 10.024 8.616 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 10.537 10.086 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 10.080 8.561 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.990 9.861 -12.579 1.00 0.00 H new ATOM 129 N TRP B 30 3.116 10.734 -10.298 1.00 0.00 N ATOM 130 CA TRP B 30 2.228 11.764 -10.822 1.00 0.00 C ATOM 131 C TRP B 30 1.593 12.556 -9.680 1.00 0.00 C ATOM 132 O TRP B 30 1.310 13.746 -9.818 1.00 0.00 O ATOM 133 CB TRP B 30 1.147 11.126 -11.707 1.00 0.00 C ATOM 134 CG TRP B 30 -0.102 11.948 -11.833 1.00 0.00 C ATOM 135 CD1 TRP B 30 -0.468 12.732 -12.888 1.00 0.00 C ATOM 136 CD2 TRP B 30 -1.150 12.064 -10.863 1.00 0.00 C ATOM 137 NE1 TRP B 30 -1.679 13.329 -12.635 1.00 0.00 N ATOM 138 CE2 TRP B 30 -2.118 12.934 -11.397 1.00 0.00 C ATOM 139 CE3 TRP B 30 -1.363 11.516 -9.596 1.00 0.00 C ATOM 140 CZ2 TRP B 30 -3.281 13.268 -10.708 1.00 0.00 C ATOM 141 CZ3 TRP B 30 -2.517 11.847 -8.912 1.00 0.00 C ATOM 142 CH2 TRP B 30 -3.464 12.716 -9.469 1.00 0.00 C ATOM 0 H TRP B 30 2.837 9.780 -10.529 1.00 0.00 H new ATOM 0 HA TRP B 30 2.812 12.455 -11.430 1.00 0.00 H new ATOM 0 HB2 TRP B 30 1.560 10.956 -12.701 1.00 0.00 H new ATOM 0 HB3 TRP B 30 0.887 10.149 -11.299 1.00 0.00 H new ATOM 0 HD1 TRP B 30 0.110 12.864 -13.791 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -2.171 13.963 -13.265 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -0.638 10.845 -9.159 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -4.012 13.938 -11.136 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -2.692 11.429 -7.932 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -4.356 12.955 -8.910 1.00 0.00 H new ATOM 153 N TRP B 31 1.373 11.887 -8.553 1.00 0.00 N ATOM 154 CA TRP B 31 0.773 12.526 -7.389 1.00 0.00 C ATOM 155 C TRP B 31 1.763 13.471 -6.716 1.00 0.00 C ATOM 156 O TRP B 31 1.380 14.517 -6.192 1.00 0.00 O ATOM 157 CB TRP B 31 0.298 11.470 -6.389 1.00 0.00 C ATOM 158 CG TRP B 31 -0.419 12.050 -5.207 1.00 0.00 C ATOM 159 CD1 TRP B 31 0.087 12.927 -4.291 1.00 0.00 C ATOM 160 CD2 TRP B 31 -1.771 11.792 -4.813 1.00 0.00 C ATOM 161 NE1 TRP B 31 -0.869 13.231 -3.352 1.00 0.00 N ATOM 162 CE2 TRP B 31 -2.017 12.546 -3.651 1.00 0.00 C ATOM 163 CE3 TRP B 31 -2.798 10.997 -5.331 1.00 0.00 C ATOM 164 CZ2 TRP B 31 -3.248 12.529 -2.998 1.00 0.00 C ATOM 165 CZ3 TRP B 31 -4.019 10.981 -4.682 1.00 0.00 C ATOM 166 CH2 TRP B 31 -4.235 11.743 -3.527 1.00 0.00 C ATOM 0 H TRP B 31 1.602 10.902 -8.422 1.00 0.00 H new ATOM 0 HA TRP B 31 -0.084 13.108 -7.727 1.00 0.00 H new ATOM 0 HB2 TRP B 31 -0.364 10.770 -6.898 1.00 0.00 H new ATOM 0 HB3 TRP B 31 1.158 10.899 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP B 31 1.091 13.324 -4.303 1.00 0.00 H new ATOM 0 HE1 TRP B 31 -0.744 13.863 -2.561 1.00 0.00 H new ATOM 0 HE3 TRP B 31 -2.641 10.406 -6.221 1.00 0.00 H new ATOM 0 HZ2 TRP B 31 -3.417 13.115 -2.107 1.00 0.00 H new ATOM 0 HZ3 TRP B 31 -4.820 10.370 -5.073 1.00 0.00 H new ATOM 0 HH2 TRP B 31 -5.200 11.709 -3.044 1.00 0.00 H new ATOM 177 N ARG B 32 3.038 13.095 -6.735 1.00 0.00 N ATOM 178 CA ARG B 32 4.084 13.908 -6.127 1.00 0.00 C ATOM 179 C ARG B 32 4.147 15.287 -6.775 1.00 0.00 C ATOM 180 O ARG B 32 4.341 16.295 -6.096 1.00 0.00 O ATOM 181 CB ARG B 32 5.439 13.210 -6.251 1.00 0.00 C ATOM 182 CG ARG B 32 6.466 13.690 -5.238 1.00 0.00 C ATOM 183 CD ARG B 32 7.869 13.689 -5.824 1.00 0.00 C ATOM 184 NE ARG B 32 8.174 12.437 -6.513 1.00 0.00 N ATOM 185 CZ ARG B 32 8.512 11.311 -5.889 1.00 0.00 C ATOM 186 NH1 ARG B 32 8.590 11.275 -4.564 1.00 0.00 N1+ ATOM 187 NH2 ARG B 32 8.773 10.217 -6.591 1.00 0.00 N ATOM 0 H ARG B 32 3.371 12.232 -7.165 1.00 0.00 H new ATOM 0 HA ARG B 32 3.844 14.034 -5.071 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.297 12.136 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG B 32 5.830 13.370 -7.256 1.00 0.00 H new ATOM 0 HG2 ARG B 32 6.209 14.696 -4.907 1.00 0.00 H new ATOM 0 HG3 ARG B 32 6.438 13.048 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG B 32 7.971 14.521 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG B 32 8.595 13.850 -5.027 1.00 0.00 H new ATOM 0 HE ARG B 32 8.125 12.425 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG B 32 8.390 12.113 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG B 32 8.850 10.409 -4.092 1.00 0.00 H new ATOM 0 HH21 ARG B 32 8.715 10.238 -7.609 1.00 0.00 H new ATOM 0 HH22 ARG B 32 9.032 9.354 -6.113 1.00 0.00 H new ATOM 201 N SER B 33 3.985 15.324 -8.094 1.00 0.00 N ATOM 202 CA SER B 33 4.024 16.580 -8.834 1.00 0.00 C ATOM 203 C SER B 33 2.768 17.404 -8.575 1.00 0.00 C ATOM 204 O SER B 33 2.808 18.634 -8.583 1.00 0.00 O ATOM 205 CB SER B 33 4.169 16.308 -10.333 1.00 0.00 C ATOM 206 OG SER B 33 3.237 15.335 -10.768 1.00 0.00 O ATOM 0 H SER B 33 3.826 14.499 -8.672 1.00 0.00 H new ATOM 0 HA SER B 33 4.887 17.149 -8.489 1.00 0.00 H new ATOM 0 HB2 SER B 33 4.020 17.233 -10.890 1.00 0.00 H new ATOM 0 HB3 SER B 33 5.182 15.967 -10.547 1.00 0.00 H new ATOM 0 HG SER B 33 2.582 15.170 -10.058 1.00 0.00 H new ATOM 212 N GLU B 34 1.653 16.719 -8.343 1.00 0.00 N ATOM 213 CA GLU B 34 0.385 17.388 -8.081 1.00 0.00 C ATOM 214 C GLU B 34 0.482 18.273 -6.842 1.00 0.00 C ATOM 215 O GLU B 34 -0.089 19.362 -6.798 1.00 0.00 O ATOM 216 CB GLU B 34 -0.731 16.358 -7.899 1.00 0.00 C ATOM 217 CG GLU B 34 -2.101 16.862 -8.329 1.00 0.00 C ATOM 218 CD GLU B 34 -2.786 17.677 -7.250 1.00 0.00 C ATOM 219 OE1 GLU B 34 -2.503 17.440 -6.057 1.00 0.00 O ATOM 220 OE2 GLU B 34 -3.607 18.551 -7.599 1.00 0.00 O1- ATOM 0 H GLU B 34 1.602 15.700 -8.331 1.00 0.00 H new ATOM 0 HA GLU B 34 0.152 18.019 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -0.486 15.464 -8.472 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.774 16.063 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.995 17.471 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -2.731 16.012 -8.592 1.00 0.00 H new ATOM 227 N GLU B 35 1.212 17.797 -5.839 1.00 0.00 N ATOM 228 CA GLU B 35 1.386 18.546 -4.599 1.00 0.00 C ATOM 229 C GLU B 35 2.732 19.263 -4.582 1.00 0.00 C ATOM 230 O GLU B 35 2.867 20.336 -3.992 1.00 0.00 O ATOM 231 CB GLU B 35 1.278 17.610 -3.394 1.00 0.00 C ATOM 232 CG GLU B 35 2.237 16.431 -3.452 1.00 0.00 C ATOM 233 CD GLU B 35 3.197 16.400 -2.278 1.00 0.00 C ATOM 234 OE1 GLU B 35 2.816 15.874 -1.212 1.00 0.00 O1- ATOM 235 OE2 GLU B 35 4.331 16.904 -2.426 1.00 0.00 O ATOM 0 H GLU B 35 1.692 16.897 -5.860 1.00 0.00 H new ATOM 0 HA GLU B 35 0.595 19.294 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU B 35 1.469 18.179 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU B 35 0.257 17.234 -3.326 1.00 0.00 H new ATOM 0 HG2 GLU B 35 1.665 15.503 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU B 35 2.806 16.476 -4.381 1.00 0.00 H new ATOM 242 N ALA B 36 3.725 18.665 -5.231 1.00 0.00 N ATOM 243 CA ALA B 36 5.060 19.246 -5.289 1.00 0.00 C ATOM 244 C ALA B 36 5.381 19.743 -6.695 1.00 0.00 C ATOM 245 O ALA B 36 5.790 18.968 -7.559 1.00 0.00 O ATOM 246 CB ALA B 36 6.098 18.230 -4.837 1.00 0.00 C ATOM 0 H ALA B 36 3.630 17.777 -5.725 1.00 0.00 H new ATOM 0 HA ALA B 36 5.087 20.101 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA B 36 7.091 18.678 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA B 36 5.887 17.926 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA B 36 6.061 17.358 -5.489 1.00 0.00 H new ATOM 252 N GLN B 37 5.193 21.040 -6.916 1.00 0.00 N ATOM 253 CA GLN B 37 5.462 21.640 -8.217 1.00 0.00 C ATOM 254 C GLN B 37 6.963 21.773 -8.455 1.00 0.00 C ATOM 255 O GLN B 37 7.559 22.808 -8.158 1.00 0.00 O ATOM 256 CB GLN B 37 4.794 23.013 -8.317 1.00 0.00 C ATOM 257 CG GLN B 37 3.293 22.977 -8.088 1.00 0.00 C ATOM 258 CD GLN B 37 2.920 23.176 -6.632 1.00 0.00 C ATOM 259 OE1 GLN B 37 3.192 24.225 -6.048 1.00 0.00 O ATOM 260 NE2 GLN B 37 2.294 22.168 -6.038 1.00 0.00 N ATOM 0 H GLN B 37 4.855 21.695 -6.211 1.00 0.00 H new ATOM 0 HA GLN B 37 5.047 20.985 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN B 37 5.248 23.683 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN B 37 4.993 23.434 -9.303 1.00 0.00 H new ATOM 0 HG2 GLN B 37 2.819 23.752 -8.690 1.00 0.00 H new ATOM 0 HG3 GLN B 37 2.900 22.021 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN B 37 2.088 21.316 -6.560 1.00 0.00 H new ATOM 0 HE22 GLN B 37 2.018 22.245 -5.059 1.00 0.00 H new ATOM 269 N ASP B 38 7.567 20.718 -8.992 1.00 0.00 N ATOM 270 CA ASP B 38 8.999 20.717 -9.270 1.00 0.00 C ATOM 271 C ASP B 38 9.263 20.847 -10.766 1.00 0.00 C ATOM 272 O ASP B 38 10.126 21.616 -11.191 1.00 0.00 O ATOM 273 CB ASP B 38 9.642 19.436 -8.736 1.00 0.00 C ATOM 274 CG ASP B 38 8.958 18.187 -9.254 1.00 0.00 C ATOM 275 OD1 ASP B 38 7.894 17.824 -8.712 1.00 0.00 O1- ATOM 276 OD2 ASP B 38 9.488 17.570 -10.203 1.00 0.00 O ATOM 0 H ASP B 38 7.088 19.853 -9.243 1.00 0.00 H new ATOM 0 HA ASP B 38 9.442 21.576 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP B 38 10.694 19.415 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.606 19.441 -7.647 1.00 0.00 H new ATOM 281 N MET B 39 8.515 20.089 -11.562 1.00 0.00 N ATOM 282 CA MET B 39 8.669 20.120 -13.012 1.00 0.00 C ATOM 283 C MET B 39 8.396 21.517 -13.558 1.00 0.00 C ATOM 284 O MET B 39 9.291 22.169 -14.098 1.00 0.00 O ATOM 285 CB MET B 39 7.724 19.111 -13.667 1.00 0.00 C ATOM 286 CG MET B 39 8.233 18.574 -14.995 1.00 0.00 C ATOM 287 SD MET B 39 7.553 16.953 -15.396 1.00 0.00 S ATOM 288 CE MET B 39 5.815 17.349 -15.568 1.00 0.00 C ATOM 0 H MET B 39 7.797 19.446 -11.228 1.00 0.00 H new ATOM 0 HA MET B 39 9.698 19.851 -13.249 1.00 0.00 H new ATOM 0 HB2 MET B 39 7.566 18.277 -12.984 1.00 0.00 H new ATOM 0 HB3 MET B 39 6.754 19.583 -13.823 1.00 0.00 H new ATOM 0 HG2 MET B 39 7.978 19.277 -15.788 1.00 0.00 H new ATOM 0 HG3 MET B 39 9.321 18.510 -14.963 1.00 0.00 H new ATOM 0 HE1 MET B 39 5.266 16.456 -15.869 1.00 0.00 H new ATOM 0 HE2 MET B 39 5.428 17.709 -14.615 1.00 0.00 H new ATOM 0 HE3 MET B 39 5.691 18.123 -16.325 1.00 0.00 H new ATOM 298 N GLY B 40 7.157 21.972 -13.414 1.00 0.00 N ATOM 299 CA GLY B 40 6.788 23.290 -13.899 1.00 0.00 C ATOM 300 C GLY B 40 5.292 23.524 -13.864 1.00 0.00 C ATOM 301 O GLY B 40 4.543 22.648 -14.347 1.00 0.00 O ATOM 302 OXT GLY B 40 4.867 24.582 -13.355 1.00 0.00 O ATOM 0 H GLY B 40 6.400 21.452 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.285 24.048 -13.294 1.00 0.00 H new ATOM 0 HA3 GLY B 40 7.147 23.411 -14.921 1.00 0.00 H new TER 306 GLY B 40 ATOM 307 N MET A 1 -6.587 -8.225 7.658 1.00 0.00 N ATOM 308 CA MET A 1 -5.486 -8.650 6.755 1.00 0.00 C ATOM 309 C MET A 1 -4.237 -7.801 6.971 1.00 0.00 C ATOM 310 O MET A 1 -4.328 -6.616 7.290 1.00 0.00 O ATOM 311 CB MET A 1 -5.966 -8.524 5.308 1.00 0.00 C ATOM 312 CG MET A 1 -6.269 -7.095 4.889 1.00 0.00 C ATOM 313 SD MET A 1 -8.029 -6.711 4.946 1.00 0.00 S ATOM 314 CE MET A 1 -8.234 -5.833 3.400 1.00 0.00 C ATOM 0 H1 MET A 1 -6.965 -9.055 8.158 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.223 -7.539 8.350 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.344 -7.783 7.098 1.00 0.00 H new ATOM 0 HA MET A 1 -5.222 -9.684 6.975 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.205 -8.934 4.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.863 -9.130 5.178 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.730 -6.408 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.898 -6.931 3.877 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.804 -4.920 3.573 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.255 -5.578 2.994 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.768 -6.465 2.690 1.00 0.00 H new ATOM 326 N GLN A 2 -3.072 -8.415 6.793 1.00 0.00 N ATOM 327 CA GLN A 2 -1.806 -7.713 6.967 1.00 0.00 C ATOM 328 C GLN A 2 -1.409 -6.981 5.690 1.00 0.00 C ATOM 329 O GLN A 2 -0.642 -7.498 4.880 1.00 0.00 O ATOM 330 CB GLN A 2 -0.703 -8.697 7.363 1.00 0.00 C ATOM 331 CG GLN A 2 -1.059 -9.562 8.562 1.00 0.00 C ATOM 332 CD GLN A 2 -0.928 -11.044 8.273 1.00 0.00 C ATOM 333 OE1 GLN A 2 -1.819 -11.654 7.681 1.00 0.00 O ATOM 334 NE2 GLN A 2 0.186 -11.634 8.693 1.00 0.00 N ATOM 0 H GLN A 2 -2.978 -9.396 6.529 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.935 -6.979 7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.482 -9.343 6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.207 -8.139 7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.411 -9.300 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.082 -9.345 8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.899 -11.090 9.180 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.328 -12.631 8.529 1.00 0.00 H new ATOM 343 N ILE A 3 -1.933 -5.771 5.518 1.00 0.00 N ATOM 344 CA ILE A 3 -1.625 -4.970 4.339 1.00 0.00 C ATOM 345 C ILE A 3 -0.335 -4.188 4.538 1.00 0.00 C ATOM 346 O ILE A 3 -0.084 -3.655 5.619 1.00 0.00 O ATOM 347 CB ILE A 3 -2.765 -3.987 4.010 1.00 0.00 C ATOM 348 CG1 ILE A 3 -3.103 -3.135 5.234 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.994 -4.745 3.529 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.628 -1.765 4.890 1.00 0.00 C ATOM 0 H ILE A 3 -2.571 -5.325 6.178 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.506 -5.662 3.505 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.434 -3.324 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.845 -3.658 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.210 -3.028 5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.791 -4.038 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.744 -5.312 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.328 -5.429 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.846 -1.218 5.807 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.879 -1.222 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.539 -1.862 4.300 1.00 0.00 H new ATOM 362 N PHE A 4 0.487 -4.123 3.496 1.00 0.00 N ATOM 363 CA PHE A 4 1.752 -3.407 3.575 1.00 0.00 C ATOM 364 C PHE A 4 1.629 -2.005 2.988 1.00 0.00 C ATOM 365 O PHE A 4 1.541 -1.832 1.773 1.00 0.00 O ATOM 366 CB PHE A 4 2.858 -4.193 2.864 1.00 0.00 C ATOM 367 CG PHE A 4 3.870 -4.760 3.816 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.501 -3.938 4.732 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.179 -6.110 3.809 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.421 -4.446 5.628 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.098 -6.629 4.702 1.00 0.00 C ATOM 372 CZ PHE A 4 5.719 -5.795 5.613 1.00 0.00 C ATOM 0 H PHE A 4 0.300 -4.556 2.591 1.00 0.00 H new ATOM 0 HA PHE A 4 2.017 -3.307 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.410 -5.005 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.362 -3.540 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.271 -2.883 4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.697 -6.765 3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.905 -3.791 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.330 -7.684 4.688 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.437 -6.198 6.312 1.00 0.00 H new ATOM 382 N VAL A 5 1.626 -1.007 3.865 1.00 0.00 N ATOM 383 CA VAL A 5 1.518 0.384 3.442 1.00 0.00 C ATOM 384 C VAL A 5 2.879 0.937 3.041 1.00 0.00 C ATOM 385 O VAL A 5 3.745 1.157 3.890 1.00 0.00 O ATOM 386 CB VAL A 5 0.923 1.266 4.556 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.649 2.670 4.039 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.345 0.638 5.117 1.00 0.00 C ATOM 0 H VAL A 5 1.697 -1.136 4.874 1.00 0.00 H new ATOM 0 HA VAL A 5 0.850 0.405 2.581 1.00 0.00 H new ATOM 0 HB VAL A 5 1.652 1.338 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.229 3.277 4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.580 3.119 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.059 2.621 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.750 1.276 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.081 0.531 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.113 -0.343 5.530 1.00 0.00 H new ATOM 398 N LYS A 6 3.064 1.157 1.742 1.00 0.00 N ATOM 399 CA LYS A 6 4.321 1.683 1.223 1.00 0.00 C ATOM 400 C LYS A 6 4.223 3.186 0.979 1.00 0.00 C ATOM 401 O LYS A 6 3.373 3.646 0.218 1.00 0.00 O ATOM 402 CB LYS A 6 4.698 0.969 -0.076 1.00 0.00 C ATOM 403 CG LYS A 6 6.050 1.388 -0.630 1.00 0.00 C ATOM 404 CD LYS A 6 6.461 0.521 -1.810 1.00 0.00 C ATOM 405 CE LYS A 6 7.649 1.115 -2.551 1.00 0.00 C ATOM 406 NZ LYS A 6 7.535 0.928 -4.024 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.357 0.978 1.029 1.00 0.00 H new ATOM 0 HA LYS A 6 5.096 1.503 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.704 -0.107 0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.931 1.166 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.009 2.432 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.804 1.318 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.714 -0.479 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.620 0.414 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.723 2.179 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.568 0.649 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.247 1.514 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.694 -0.072 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.585 1.211 -4.337 1.00 0.00 H new ATOM 420 N THR A 7 5.100 3.946 1.629 1.00 0.00 N ATOM 421 CA THR A 7 5.108 5.398 1.478 1.00 0.00 C ATOM 422 C THR A 7 5.991 5.819 0.308 1.00 0.00 C ATOM 423 O THR A 7 6.749 5.015 -0.232 1.00 0.00 O ATOM 424 CB THR A 7 5.593 6.069 2.766 1.00 0.00 C ATOM 425 OG1 THR A 7 7.008 6.044 2.843 1.00 0.00 O ATOM 426 CG2 THR A 7 5.053 5.423 4.024 1.00 0.00 C ATOM 0 H THR A 7 5.812 3.582 2.263 1.00 0.00 H new ATOM 0 HA THR A 7 4.087 5.720 1.274 1.00 0.00 H new ATOM 0 HB THR A 7 5.217 7.091 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.353 6.961 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.438 5.950 4.897 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.964 5.473 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.368 4.380 4.061 1.00 0.00 H new ATOM 434 N LEU A 8 5.885 7.087 -0.079 1.00 0.00 N ATOM 435 CA LEU A 8 6.673 7.618 -1.185 1.00 0.00 C ATOM 436 C LEU A 8 8.166 7.489 -0.905 1.00 0.00 C ATOM 437 O LEU A 8 8.925 7.001 -1.742 1.00 0.00 O ATOM 438 CB LEU A 8 6.316 9.084 -1.435 1.00 0.00 C ATOM 439 CG LEU A 8 5.122 9.311 -2.365 1.00 0.00 C ATOM 440 CD1 LEU A 8 4.211 10.398 -1.825 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.594 9.689 -3.753 1.00 0.00 C ATOM 0 H LEU A 8 5.261 7.765 0.358 1.00 0.00 H new ATOM 0 HA LEU A 8 6.438 7.035 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.106 9.559 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.186 9.587 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 8 4.561 8.378 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.371 10.539 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.838 10.106 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.769 11.331 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.731 9.846 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.181 10.606 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.210 8.887 -4.159 1.00 0.00 H new ATOM 453 N THR A 9 8.582 7.928 0.278 1.00 0.00 N ATOM 454 CA THR A 9 9.986 7.863 0.670 1.00 0.00 C ATOM 455 C THR A 9 10.516 6.434 0.576 1.00 0.00 C ATOM 456 O THR A 9 11.710 6.218 0.370 1.00 0.00 O ATOM 457 CB THR A 9 10.163 8.391 2.095 1.00 0.00 C ATOM 458 OG1 THR A 9 9.129 7.917 2.938 1.00 0.00 O ATOM 459 CG2 THR A 9 10.167 9.902 2.177 1.00 0.00 C ATOM 0 H THR A 9 7.966 8.333 0.983 1.00 0.00 H new ATOM 0 HA THR A 9 10.557 8.487 -0.017 1.00 0.00 H new ATOM 0 HB THR A 9 11.136 8.023 2.420 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.261 8.264 3.845 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.296 10.210 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.987 10.297 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.221 10.289 1.799 1.00 0.00 H new ATOM 467 N GLY A 10 9.620 5.463 0.729 1.00 0.00 N ATOM 468 CA GLY A 10 10.017 4.070 0.657 1.00 0.00 C ATOM 469 C GLY A 10 9.923 3.372 2.000 1.00 0.00 C ATOM 470 O GLY A 10 10.940 3.002 2.586 1.00 0.00 O ATOM 0 H GLY A 10 8.627 5.617 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.385 3.552 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.041 4.005 0.288 1.00 0.00 H new ATOM 474 N LYS A 11 8.700 3.193 2.487 1.00 0.00 N ATOM 475 CA LYS A 11 8.477 2.536 3.768 1.00 0.00 C ATOM 476 C LYS A 11 7.238 1.650 3.719 1.00 0.00 C ATOM 477 O LYS A 11 6.109 2.138 3.780 1.00 0.00 O ATOM 478 CB LYS A 11 8.330 3.575 4.881 1.00 0.00 C ATOM 479 CG LYS A 11 8.061 2.966 6.251 1.00 0.00 C ATOM 480 CD LYS A 11 9.265 3.068 7.163 1.00 0.00 C ATOM 481 CE LYS A 11 9.701 1.704 7.672 1.00 0.00 C ATOM 482 NZ LYS A 11 10.118 0.803 6.562 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.848 3.494 2.013 1.00 0.00 H new ATOM 0 HA LYS A 11 9.342 1.908 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.240 4.173 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.516 4.254 4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.213 3.472 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.783 1.919 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.090 3.537 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.027 3.713 8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.528 1.825 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.882 1.244 8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.766 0.077 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.279 0.344 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.601 1.358 5.827 1.00 0.00 H new ATOM 496 N THR A 12 7.460 0.343 3.620 1.00 0.00 N ATOM 497 CA THR A 12 6.367 -0.621 3.572 1.00 0.00 C ATOM 498 C THR A 12 6.195 -1.296 4.928 1.00 0.00 C ATOM 499 O THR A 12 7.012 -2.128 5.322 1.00 0.00 O ATOM 500 CB THR A 12 6.636 -1.673 2.495 1.00 0.00 C ATOM 501 OG1 THR A 12 7.532 -1.173 1.518 1.00 0.00 O ATOM 502 CG2 THR A 12 5.385 -2.129 1.777 1.00 0.00 C ATOM 0 H THR A 12 8.390 -0.073 3.571 1.00 0.00 H new ATOM 0 HA THR A 12 5.448 -0.090 3.325 1.00 0.00 H new ATOM 0 HB THR A 12 7.063 -2.525 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.693 -1.861 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.648 -2.875 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.692 -2.566 2.496 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.913 -1.275 1.290 1.00 0.00 H new ATOM 510 N ILE A 13 5.138 -0.926 5.647 1.00 0.00 N ATOM 511 CA ILE A 13 4.885 -1.500 6.965 1.00 0.00 C ATOM 512 C ILE A 13 3.645 -2.388 6.981 1.00 0.00 C ATOM 513 O ILE A 13 2.626 -2.066 6.373 1.00 0.00 O ATOM 514 CB ILE A 13 4.718 -0.408 8.037 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.006 0.373 8.210 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.323 -1.034 9.352 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.161 -0.489 8.620 1.00 0.00 C ATOM 0 H ILE A 13 4.449 -0.238 5.343 1.00 0.00 H new ATOM 0 HA ILE A 13 5.760 -2.109 7.194 1.00 0.00 H new ATOM 0 HB ILE A 13 3.935 0.277 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.249 0.875 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.856 1.150 8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.207 -0.255 10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.380 -1.567 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.097 -1.733 9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.054 0.127 8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.936 -0.971 9.571 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.335 -1.250 7.860 1.00 0.00 H new ATOM 529 N THR A 14 3.743 -3.505 7.700 1.00 0.00 N ATOM 530 CA THR A 14 2.631 -4.438 7.819 1.00 0.00 C ATOM 531 C THR A 14 1.595 -3.893 8.789 1.00 0.00 C ATOM 532 O THR A 14 1.841 -3.803 9.992 1.00 0.00 O ATOM 533 CB THR A 14 3.124 -5.807 8.295 1.00 0.00 C ATOM 534 OG1 THR A 14 4.509 -5.958 8.044 1.00 0.00 O ATOM 535 CG2 THR A 14 2.407 -6.964 7.634 1.00 0.00 C ATOM 0 H THR A 14 4.583 -3.783 8.208 1.00 0.00 H new ATOM 0 HA THR A 14 2.173 -4.557 6.837 1.00 0.00 H new ATOM 0 HB THR A 14 2.913 -5.834 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.717 -5.624 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.804 -7.904 8.016 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.341 -6.905 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.558 -6.918 6.556 1.00 0.00 H new ATOM 543 N LEU A 15 0.441 -3.516 8.259 1.00 0.00 N ATOM 544 CA LEU A 15 -0.629 -2.963 9.076 1.00 0.00 C ATOM 545 C LEU A 15 -1.906 -3.784 8.929 1.00 0.00 C ATOM 546 O LEU A 15 -2.367 -4.045 7.816 1.00 0.00 O ATOM 547 CB LEU A 15 -0.869 -1.504 8.682 1.00 0.00 C ATOM 548 CG LEU A 15 -1.556 -0.641 9.740 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.872 -1.266 10.166 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.643 -0.441 10.940 1.00 0.00 C ATOM 0 H LEU A 15 0.221 -3.583 7.265 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.333 -3.003 10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.091 -1.050 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.473 -1.486 7.775 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.767 0.335 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.346 -0.637 10.920 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.530 -1.355 9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.686 -2.256 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.149 0.176 11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.399 -1.409 11.377 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.274 0.054 10.621 1.00 0.00 H new ATOM 562 N GLU A 16 -2.465 -4.196 10.062 1.00 0.00 N ATOM 563 CA GLU A 16 -3.682 -4.997 10.072 1.00 0.00 C ATOM 564 C GLU A 16 -4.924 -4.111 10.058 1.00 0.00 C ATOM 565 O GLU A 16 -5.040 -3.175 10.850 1.00 0.00 O ATOM 566 CB GLU A 16 -3.701 -5.905 11.304 1.00 0.00 C ATOM 567 CG GLU A 16 -3.479 -7.368 10.984 1.00 0.00 C ATOM 568 CD GLU A 16 -2.026 -7.687 10.693 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.390 -6.925 9.935 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -1.524 -8.701 11.223 1.00 0.00 O ATOM 0 H GLU A 16 -2.092 -3.987 10.988 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.692 -5.611 9.171 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.931 -5.574 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.659 -5.794 11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.820 -7.975 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.087 -7.644 10.123 1.00 0.00 H new ATOM 577 N VAL A 17 -5.850 -4.415 9.156 1.00 0.00 N ATOM 578 CA VAL A 17 -7.086 -3.653 9.038 1.00 0.00 C ATOM 579 C VAL A 17 -8.211 -4.512 8.473 1.00 0.00 C ATOM 580 O VAL A 17 -8.085 -5.083 7.390 1.00 0.00 O ATOM 581 CB VAL A 17 -6.902 -2.418 8.135 1.00 0.00 C ATOM 582 CG1 VAL A 17 -6.145 -1.326 8.871 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.185 -2.798 6.851 1.00 0.00 C ATOM 0 H VAL A 17 -5.767 -5.187 8.494 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.350 -3.325 10.044 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.888 -2.033 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.025 -0.462 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.703 -1.033 9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.163 -1.698 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.064 -1.913 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.205 -3.210 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.771 -3.544 6.314 1.00 0.00 H new ATOM 593 N GLU A 18 -9.312 -4.598 9.212 1.00 0.00 N ATOM 594 CA GLU A 18 -10.460 -5.386 8.779 1.00 0.00 C ATOM 595 C GLU A 18 -11.012 -4.854 7.459 1.00 0.00 C ATOM 596 O GLU A 18 -10.985 -3.648 7.207 1.00 0.00 O ATOM 597 CB GLU A 18 -11.553 -5.364 9.849 1.00 0.00 C ATOM 598 CG GLU A 18 -11.196 -6.150 11.100 1.00 0.00 C ATOM 599 CD GLU A 18 -11.586 -7.612 11.000 1.00 0.00 C ATOM 600 OE1 GLU A 18 -10.966 -8.339 10.196 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -12.512 -8.029 11.726 1.00 0.00 O ATOM 0 H GLU A 18 -9.434 -4.133 10.112 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.131 -6.414 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.758 -4.330 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.472 -5.769 9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.123 -6.075 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.694 -5.703 11.960 1.00 0.00 H new ATOM 608 N PRO A 19 -11.521 -5.746 6.592 1.00 0.00 N ATOM 609 CA PRO A 19 -12.076 -5.354 5.294 1.00 0.00 C ATOM 610 C PRO A 19 -13.294 -4.446 5.437 1.00 0.00 C ATOM 611 O PRO A 19 -13.595 -3.650 4.548 1.00 0.00 O ATOM 612 CB PRO A 19 -12.477 -6.685 4.647 1.00 0.00 C ATOM 613 CG PRO A 19 -12.596 -7.647 5.780 1.00 0.00 C ATOM 614 CD PRO A 19 -11.594 -7.201 6.807 1.00 0.00 C ATOM 0 HA PRO A 19 -11.357 -4.784 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.420 -6.593 4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.728 -7.015 3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.605 -7.643 6.192 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.391 -8.666 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.919 -7.443 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.626 -7.679 6.660 1.00 0.00 H new ATOM 622 N SER A 20 -13.992 -4.572 6.562 1.00 0.00 N ATOM 623 CA SER A 20 -15.177 -3.762 6.820 1.00 0.00 C ATOM 624 C SER A 20 -14.828 -2.542 7.668 1.00 0.00 C ATOM 625 O SER A 20 -15.577 -2.166 8.569 1.00 0.00 O ATOM 626 CB SER A 20 -16.248 -4.598 7.523 1.00 0.00 C ATOM 627 OG SER A 20 -16.844 -5.521 6.627 1.00 0.00 O ATOM 0 H SER A 20 -13.757 -5.227 7.308 1.00 0.00 H new ATOM 0 HA SER A 20 -15.567 -3.416 5.862 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.803 -5.135 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.014 -3.941 7.936 1.00 0.00 H new ATOM 0 HG SER A 20 -17.524 -6.044 7.101 1.00 0.00 H new ATOM 633 N ASP A 21 -13.687 -1.929 7.372 1.00 0.00 N ATOM 634 CA ASP A 21 -13.239 -0.752 8.108 1.00 0.00 C ATOM 635 C ASP A 21 -12.904 0.389 7.154 1.00 0.00 C ATOM 636 O ASP A 21 -12.333 0.172 6.085 1.00 0.00 O ATOM 637 CB ASP A 21 -12.017 -1.093 8.963 1.00 0.00 C ATOM 638 CG ASP A 21 -12.380 -1.896 10.196 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.435 -2.567 10.177 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -11.613 -1.856 11.179 1.00 0.00 O ATOM 0 H ASP A 21 -13.056 -2.227 6.628 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.051 -0.431 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.303 -1.657 8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.521 -0.171 9.266 1.00 0.00 H new ATOM 645 N THR A 22 -13.264 1.607 7.547 1.00 0.00 N ATOM 646 CA THR A 22 -13.002 2.783 6.726 1.00 0.00 C ATOM 647 C THR A 22 -11.510 3.101 6.692 1.00 0.00 C ATOM 648 O THR A 22 -10.740 2.598 7.510 1.00 0.00 O ATOM 649 CB THR A 22 -13.780 3.986 7.261 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.567 4.143 8.653 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.273 3.883 7.033 1.00 0.00 C ATOM 0 H THR A 22 -13.738 1.805 8.428 1.00 0.00 H new ATOM 0 HA THR A 22 -13.332 2.568 5.710 1.00 0.00 H new ATOM 0 HB THR A 22 -13.403 4.844 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.072 4.919 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.765 4.768 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.474 3.812 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.657 2.995 7.534 1.00 0.00 H new ATOM 659 N ILE A 23 -11.110 3.939 5.741 1.00 0.00 N ATOM 660 CA ILE A 23 -9.710 4.323 5.602 1.00 0.00 C ATOM 661 C ILE A 23 -9.203 5.010 6.866 1.00 0.00 C ATOM 662 O ILE A 23 -8.034 4.882 7.227 1.00 0.00 O ATOM 663 CB ILE A 23 -9.498 5.262 4.398 1.00 0.00 C ATOM 664 CG1 ILE A 23 -10.100 4.650 3.131 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.016 5.550 4.200 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.570 3.268 2.815 1.00 0.00 C ATOM 0 H ILE A 23 -11.735 4.365 5.056 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.145 3.405 5.437 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.007 6.204 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.183 4.598 3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.897 5.310 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.885 6.214 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.615 6.026 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.485 4.616 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.041 2.897 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.491 3.316 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.796 2.594 3.641 1.00 0.00 H new ATOM 678 N GLU A 24 -10.091 5.741 7.531 1.00 0.00 N ATOM 679 CA GLU A 24 -9.732 6.452 8.753 1.00 0.00 C ATOM 680 C GLU A 24 -9.224 5.488 9.821 1.00 0.00 C ATOM 681 O GLU A 24 -8.263 5.786 10.527 1.00 0.00 O ATOM 682 CB GLU A 24 -10.934 7.234 9.285 1.00 0.00 C ATOM 683 CG GLU A 24 -10.562 8.561 9.926 1.00 0.00 C ATOM 684 CD GLU A 24 -10.187 8.417 11.387 1.00 0.00 C ATOM 685 OE1 GLU A 24 -10.640 7.443 12.024 1.00 0.00 O ATOM 686 OE2 GLU A 24 -9.438 9.278 11.896 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.063 5.857 7.245 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.930 7.150 8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.629 7.418 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.460 6.621 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.727 9.002 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.401 9.252 9.836 1.00 0.00 H new ATOM 693 N ASN A 25 -9.873 4.331 9.934 1.00 0.00 N ATOM 694 CA ASN A 25 -9.480 3.326 10.917 1.00 0.00 C ATOM 695 C ASN A 25 -8.087 2.785 10.604 1.00 0.00 C ATOM 696 O ASN A 25 -7.330 2.411 11.504 1.00 0.00 O ATOM 697 CB ASN A 25 -10.493 2.180 10.941 1.00 0.00 C ATOM 698 CG ASN A 25 -10.402 1.355 12.210 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.483 0.398 12.227 1.00 0.00 O flip ATOM 700 ND2 ASN A 25 -11.151 1.574 13.162 1.00 0.00 N flip ATOM 0 H ASN A 25 -10.672 4.067 9.358 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.458 3.798 11.899 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.500 2.587 10.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.328 1.534 10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.843 2.321 13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.079 1.009 14.008 1.00 0.00 H new ATOM 707 N VAL A 26 -7.755 2.757 9.322 1.00 0.00 N ATOM 708 CA VAL A 26 -6.455 2.277 8.875 1.00 0.00 C ATOM 709 C VAL A 26 -5.393 3.322 9.159 1.00 0.00 C ATOM 710 O VAL A 26 -4.447 3.071 9.905 1.00 0.00 O ATOM 711 CB VAL A 26 -6.473 1.938 7.377 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.316 1.017 7.016 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.807 1.308 7.011 1.00 0.00 C ATOM 0 H VAL A 26 -8.371 3.063 8.569 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.221 1.365 9.425 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.351 2.858 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.350 0.791 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.372 1.508 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.396 0.091 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.817 1.069 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.949 0.395 7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.613 2.008 7.233 1.00 0.00 H new ATOM 723 N LYS A 27 -5.581 4.516 8.605 1.00 0.00 N ATOM 724 CA LYS A 27 -4.656 5.609 8.860 1.00 0.00 C ATOM 725 C LYS A 27 -4.579 5.831 10.364 1.00 0.00 C ATOM 726 O LYS A 27 -3.582 6.320 10.892 1.00 0.00 O ATOM 727 CB LYS A 27 -5.114 6.884 8.152 1.00 0.00 C ATOM 728 CG LYS A 27 -5.376 6.689 6.669 1.00 0.00 C ATOM 729 CD LYS A 27 -4.144 6.161 5.952 1.00 0.00 C ATOM 730 CE LYS A 27 -4.499 5.057 4.968 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.457 3.711 5.603 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.357 4.747 7.984 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.670 5.355 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.023 7.249 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.355 7.655 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.204 5.993 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.679 7.637 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.653 6.977 5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.431 5.781 6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.496 5.237 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.806 5.083 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.243 3.133 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.554 3.248 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.545 3.811 6.634 1.00 0.00 H new ATOM 745 N ALA A 28 -5.651 5.425 11.043 1.00 0.00 N ATOM 746 CA ALA A 28 -5.743 5.519 12.485 1.00 0.00 C ATOM 747 C ALA A 28 -4.669 4.650 13.121 1.00 0.00 C ATOM 748 O ALA A 28 -3.820 5.134 13.871 1.00 0.00 O ATOM 749 CB ALA A 28 -7.125 5.071 12.929 1.00 0.00 C ATOM 0 H ALA A 28 -6.477 5.022 10.601 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.588 6.551 12.801 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.199 5.140 14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.879 5.712 12.473 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.290 4.039 12.619 1.00 0.00 H new ATOM 755 N LYS A 29 -4.700 3.360 12.790 1.00 0.00 N ATOM 756 CA LYS A 29 -3.716 2.419 13.306 1.00 0.00 C ATOM 757 C LYS A 29 -2.322 2.820 12.837 1.00 0.00 C ATOM 758 O LYS A 29 -1.355 2.756 13.595 1.00 0.00 O ATOM 759 CB LYS A 29 -4.039 0.999 12.841 1.00 0.00 C ATOM 760 CG LYS A 29 -5.382 0.487 13.335 1.00 0.00 C ATOM 761 CD LYS A 29 -5.494 -1.022 13.186 1.00 0.00 C ATOM 762 CE LYS A 29 -6.858 -1.431 12.653 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.818 -1.726 13.753 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.395 2.947 12.168 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.747 2.441 14.395 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.028 0.971 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.254 0.326 13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.514 0.761 14.382 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.184 0.969 12.776 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.716 -1.380 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.322 -1.498 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.257 -0.633 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.751 -2.311 12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.078 -2.733 13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.375 -1.507 14.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.672 -1.144 13.634 1.00 0.00 H new ATOM 777 N ILE A 30 -2.233 3.250 11.580 1.00 0.00 N ATOM 778 CA ILE A 30 -0.966 3.682 11.007 1.00 0.00 C ATOM 779 C ILE A 30 -0.451 4.920 11.734 1.00 0.00 C ATOM 780 O ILE A 30 0.754 5.162 11.799 1.00 0.00 O ATOM 781 CB ILE A 30 -1.103 3.992 9.497 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.528 2.735 8.736 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.207 4.533 8.939 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.729 2.965 7.254 1.00 0.00 C ATOM 0 H ILE A 30 -3.026 3.307 10.941 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.256 2.864 11.128 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.871 4.755 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.772 1.962 8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.455 2.356 9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.090 4.745 7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.475 5.450 9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.995 3.792 9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.029 2.031 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.506 3.715 7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.797 3.315 6.810 1.00 0.00 H new ATOM 796 N GLN A 31 -1.379 5.698 12.285 1.00 0.00 N ATOM 797 CA GLN A 31 -1.032 6.909 13.015 1.00 0.00 C ATOM 798 C GLN A 31 -0.434 6.561 14.374 1.00 0.00 C ATOM 799 O GLN A 31 0.583 7.123 14.779 1.00 0.00 O ATOM 800 CB GLN A 31 -2.272 7.791 13.192 1.00 0.00 C ATOM 801 CG GLN A 31 -2.024 9.038 14.028 1.00 0.00 C ATOM 802 CD GLN A 31 -3.309 9.713 14.465 1.00 0.00 C ATOM 803 OE1 GLN A 31 -4.385 9.117 14.411 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.202 10.963 14.900 1.00 0.00 N ATOM 0 H GLN A 31 -2.380 5.508 12.238 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.287 7.459 12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.637 8.090 12.209 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.061 7.202 13.660 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.441 8.770 14.909 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.425 9.744 13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.289 11.417 14.927 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.033 11.469 15.207 1.00 0.00 H new ATOM 813 N ASP A 32 -1.073 5.631 15.075 1.00 0.00 N ATOM 814 CA ASP A 32 -0.604 5.207 16.389 1.00 0.00 C ATOM 815 C ASP A 32 0.631 4.314 16.274 1.00 0.00 C ATOM 816 O ASP A 32 1.371 4.139 17.241 1.00 0.00 O ATOM 817 CB ASP A 32 -1.715 4.464 17.133 1.00 0.00 C ATOM 818 CG ASP A 32 -1.679 4.717 18.628 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.568 4.878 19.176 1.00 0.00 O ATOM 820 OD2 ASP A 32 -2.762 4.754 19.250 1.00 0.00 O1- ATOM 0 H ASP A 32 -1.917 5.156 14.755 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.329 6.100 16.950 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.683 4.773 16.738 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.621 3.394 16.946 1.00 0.00 H new ATOM 825 N LYS A 33 0.846 3.748 15.088 1.00 0.00 N ATOM 826 CA LYS A 33 1.989 2.871 14.857 1.00 0.00 C ATOM 827 C LYS A 33 3.198 3.661 14.361 1.00 0.00 C ATOM 828 O LYS A 33 4.266 3.627 14.973 1.00 0.00 O ATOM 829 CB LYS A 33 1.625 1.784 13.841 1.00 0.00 C ATOM 830 CG LYS A 33 1.289 0.445 14.477 1.00 0.00 C ATOM 831 CD LYS A 33 1.925 -0.707 13.721 1.00 0.00 C ATOM 832 CE LYS A 33 3.436 -0.718 13.889 1.00 0.00 C ATOM 833 NZ LYS A 33 4.065 -1.873 13.189 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.245 3.881 14.275 1.00 0.00 H new ATOM 0 HA LYS A 33 2.251 2.403 15.806 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.773 2.121 13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.458 1.650 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.633 0.436 15.511 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.207 0.313 14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.511 -1.650 14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.676 -0.630 12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.851 0.212 13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.683 -0.758 14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.095 -1.844 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.688 -2.761 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.851 -1.821 12.173 1.00 0.00 H new ATOM 847 N GLU A 34 3.026 4.362 13.246 1.00 0.00 N ATOM 848 CA GLU A 34 4.107 5.150 12.663 1.00 0.00 C ATOM 849 C GLU A 34 4.190 6.536 13.296 1.00 0.00 C ATOM 850 O GLU A 34 5.274 7.102 13.431 1.00 0.00 O ATOM 851 CB GLU A 34 3.911 5.280 11.152 1.00 0.00 C ATOM 852 CG GLU A 34 4.355 4.054 10.372 1.00 0.00 C ATOM 853 CD GLU A 34 5.788 3.658 10.676 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.696 4.479 10.429 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.000 2.527 11.160 1.00 0.00 O ATOM 0 H GLU A 34 2.149 4.401 12.727 1.00 0.00 H new ATOM 0 HA GLU A 34 5.043 4.629 12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.858 5.469 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.466 6.148 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.694 3.220 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.255 4.251 9.305 1.00 0.00 H new ATOM 862 N GLY A 35 3.039 7.082 13.676 1.00 0.00 N ATOM 863 CA GLY A 35 3.013 8.401 14.284 1.00 0.00 C ATOM 864 C GLY A 35 2.585 9.477 13.304 1.00 0.00 C ATOM 865 O GLY A 35 2.953 10.642 13.452 1.00 0.00 O ATOM 0 H GLY A 35 2.127 6.637 13.575 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.330 8.394 15.134 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.003 8.639 14.673 1.00 0.00 H new ATOM 869 N ILE A 36 1.809 9.084 12.299 1.00 0.00 N ATOM 870 CA ILE A 36 1.332 10.019 11.287 1.00 0.00 C ATOM 871 C ILE A 36 -0.194 10.124 11.307 1.00 0.00 C ATOM 872 O ILE A 36 -0.892 9.135 11.082 1.00 0.00 O ATOM 873 CB ILE A 36 1.787 9.592 9.879 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.291 9.317 9.868 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.432 10.664 8.858 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.789 8.736 8.562 1.00 0.00 C ATOM 0 H ILE A 36 1.497 8.122 12.164 1.00 0.00 H new ATOM 0 HA ILE A 36 1.761 10.992 11.524 1.00 0.00 H new ATOM 0 HB ILE A 36 1.266 8.674 9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.824 10.246 10.070 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.532 8.629 10.678 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.760 10.347 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.353 10.816 8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.928 11.598 9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.864 8.566 8.626 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.283 7.790 8.368 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.579 9.433 7.750 1.00 0.00 H new ATOM 888 N PRO A 37 -0.735 11.326 11.578 1.00 0.00 N ATOM 889 CA PRO A 37 -2.186 11.544 11.624 1.00 0.00 C ATOM 890 C PRO A 37 -2.878 11.110 10.334 1.00 0.00 C ATOM 891 O PRO A 37 -2.267 11.097 9.265 1.00 0.00 O ATOM 892 CB PRO A 37 -2.318 13.058 11.815 1.00 0.00 C ATOM 893 CG PRO A 37 -1.030 13.479 12.430 1.00 0.00 C ATOM 894 CD PRO A 37 0.016 12.563 11.860 1.00 0.00 C ATOM 0 HA PRO A 37 -2.658 10.960 12.414 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.486 13.563 10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.162 13.303 12.459 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.807 14.520 12.196 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.071 13.398 13.516 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.464 12.977 10.956 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.827 12.389 12.567 1.00 0.00 H new ATOM 902 N PRO A 38 -4.170 10.745 10.417 1.00 0.00 N ATOM 903 CA PRO A 38 -4.944 10.309 9.251 1.00 0.00 C ATOM 904 C PRO A 38 -5.293 11.465 8.318 1.00 0.00 C ATOM 905 O PRO A 38 -5.517 11.265 7.125 1.00 0.00 O ATOM 906 CB PRO A 38 -6.212 9.720 9.871 1.00 0.00 C ATOM 907 CG PRO A 38 -6.368 10.440 11.165 1.00 0.00 C ATOM 908 CD PRO A 38 -4.976 10.731 11.654 1.00 0.00 C ATOM 0 HA PRO A 38 -4.388 9.605 8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.077 9.873 9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.116 8.645 10.025 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.934 11.362 11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.914 9.832 11.886 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.926 11.687 12.176 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.628 9.968 12.351 1.00 0.00 H new ATOM 916 N ASP A 39 -5.338 12.674 8.869 1.00 0.00 N ATOM 917 CA ASP A 39 -5.660 13.859 8.083 1.00 0.00 C ATOM 918 C ASP A 39 -4.390 14.588 7.650 1.00 0.00 C ATOM 919 O ASP A 39 -4.392 15.806 7.470 1.00 0.00 O ATOM 920 CB ASP A 39 -6.554 14.804 8.888 1.00 0.00 C ATOM 921 CG ASP A 39 -7.500 15.596 8.008 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.567 15.056 7.646 1.00 0.00 O ATOM 923 OD2 ASP A 39 -7.175 16.756 7.680 1.00 0.00 O1- ATOM 0 H ASP A 39 -5.156 12.858 9.856 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.195 13.536 7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.132 14.226 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.930 15.493 9.458 1.00 0.00 H new ATOM 928 N GLN A 40 -3.308 13.834 7.486 1.00 0.00 N ATOM 929 CA GLN A 40 -2.031 14.407 7.074 1.00 0.00 C ATOM 930 C GLN A 40 -1.461 13.665 5.869 1.00 0.00 C ATOM 931 O GLN A 40 -0.904 14.279 4.957 1.00 0.00 O ATOM 932 CB GLN A 40 -1.033 14.363 8.233 1.00 0.00 C ATOM 933 CG GLN A 40 -1.268 15.436 9.282 1.00 0.00 C ATOM 934 CD GLN A 40 -0.455 16.690 9.027 1.00 0.00 C ATOM 935 OE1 GLN A 40 -0.127 17.009 7.884 1.00 0.00 O ATOM 936 NE2 GLN A 40 -0.122 17.407 10.093 1.00 0.00 N ATOM 0 H GLN A 40 -3.290 12.825 7.632 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.203 15.445 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.086 13.384 8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.024 14.470 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.327 15.692 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.017 15.038 10.265 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.415 17.106 11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.427 18.260 9.983 1.00 0.00 H new ATOM 945 N GLN A 41 -1.597 12.343 5.872 1.00 0.00 N ATOM 946 CA GLN A 41 -1.091 11.520 4.782 1.00 0.00 C ATOM 947 C GLN A 41 -2.232 10.992 3.917 1.00 0.00 C ATOM 948 O GLN A 41 -3.212 10.448 4.427 1.00 0.00 O ATOM 949 CB GLN A 41 -0.278 10.349 5.337 1.00 0.00 C ATOM 950 CG GLN A 41 -1.035 9.516 6.359 1.00 0.00 C ATOM 951 CD GLN A 41 -0.254 8.298 6.812 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.949 8.375 7.060 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.938 7.165 6.924 1.00 0.00 N ATOM 0 H GLN A 41 -2.054 11.819 6.618 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.448 12.143 4.161 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.029 9.706 4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.632 10.734 5.796 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.270 10.135 7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.984 9.195 5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.935 7.147 6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.467 6.312 7.226 1.00 0.00 H new ATOM 962 N ARG A 42 -2.094 11.152 2.605 1.00 0.00 N ATOM 963 CA ARG A 42 -3.109 10.687 1.667 1.00 0.00 C ATOM 964 C ARG A 42 -2.705 9.347 1.061 1.00 0.00 C ATOM 965 O ARG A 42 -1.647 9.229 0.442 1.00 0.00 O ATOM 966 CB ARG A 42 -3.324 11.721 0.559 1.00 0.00 C ATOM 967 CG ARG A 42 -4.447 12.702 0.853 1.00 0.00 C ATOM 968 CD ARG A 42 -4.260 14.006 0.096 1.00 0.00 C ATOM 969 NE ARG A 42 -4.809 15.146 0.826 1.00 0.00 N ATOM 970 CZ ARG A 42 -4.335 15.578 1.993 1.00 0.00 C ATOM 971 NH1 ARG A 42 -3.304 14.968 2.564 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -4.895 16.621 2.589 1.00 0.00 N ATOM 0 H ARG A 42 -1.289 11.600 2.167 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.044 10.555 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.398 12.276 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.541 11.202 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.403 12.255 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.484 12.904 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.198 14.170 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.744 13.932 -0.878 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.602 15.640 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.871 14.164 2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.945 15.303 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.688 17.092 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.533 16.953 3.483 1.00 0.00 H new ATOM 986 N LEU A 43 -3.549 8.338 1.248 1.00 0.00 N ATOM 987 CA LEU A 43 -3.271 7.005 0.724 1.00 0.00 C ATOM 988 C LEU A 43 -3.951 6.787 -0.624 1.00 0.00 C ATOM 989 O LEU A 43 -5.005 7.360 -0.901 1.00 0.00 O ATOM 990 CB LEU A 43 -3.729 5.939 1.721 1.00 0.00 C ATOM 991 CG LEU A 43 -2.859 4.687 1.775 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.723 4.887 2.753 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.690 3.476 2.165 1.00 0.00 C ATOM 0 H LEU A 43 -4.429 8.417 1.757 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.194 6.920 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.761 6.384 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.748 5.644 1.471 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.441 4.509 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.108 3.988 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.114 5.733 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.128 5.085 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.052 2.593 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.134 3.640 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.481 3.325 1.430 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.337 5.951 -1.456 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.876 5.647 -2.776 1.00 0.00 C ATOM 1007 C ILE A 44 -3.684 4.174 -3.117 1.00 0.00 C ATOM 1008 O ILE A 44 -2.716 3.546 -2.685 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.207 6.505 -3.868 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.194 7.978 -3.455 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.928 6.327 -5.196 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.879 8.425 -2.856 1.00 0.00 C ATOM 0 H ILE A 44 -2.464 5.471 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.941 5.878 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.176 6.173 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.415 8.594 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.991 8.152 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.444 6.939 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.889 5.279 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.968 6.635 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.942 9.479 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.666 7.835 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.081 8.284 -3.584 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.615 3.626 -3.893 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.549 2.225 -4.290 1.00 0.00 C ATOM 1026 C PHE A 45 -5.189 2.015 -5.659 1.00 0.00 C ATOM 1027 O PHE A 45 -6.311 2.456 -5.906 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.244 1.347 -3.248 1.00 0.00 C ATOM 1029 CG PHE A 45 -5.087 -0.126 -3.504 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.833 -0.715 -3.488 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -6.194 -0.919 -3.759 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.687 -2.070 -3.722 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -6.053 -2.274 -3.994 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.797 -2.850 -3.974 1.00 0.00 C ATOM 0 H PHE A 45 -5.422 4.131 -4.258 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.499 1.940 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.843 1.581 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.306 1.593 -3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.961 -0.110 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.178 -0.474 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.704 -2.518 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.923 -2.882 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.684 -3.909 -4.155 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.467 1.336 -6.545 1.00 0.00 N ATOM 1045 CA ALA A 46 -4.962 1.063 -7.890 1.00 0.00 C ATOM 1046 C ALA A 46 -5.325 2.352 -8.621 1.00 0.00 C ATOM 1047 O ALA A 46 -6.114 2.338 -9.567 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.164 0.132 -7.829 1.00 0.00 C ATOM 0 H ALA A 46 -3.536 0.964 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.164 0.576 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.524 -0.064 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.873 -0.807 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.957 0.600 -7.245 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.749 3.466 -8.180 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.028 4.744 -8.809 1.00 0.00 C ATOM 1056 C GLY A 47 -6.151 5.500 -8.125 1.00 0.00 C ATOM 1057 O GLY A 47 -6.225 6.726 -8.214 1.00 0.00 O ATOM 0 H GLY A 47 -4.094 3.506 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.125 5.355 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.290 4.580 -9.854 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.029 4.771 -7.442 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.152 5.385 -6.744 1.00 0.00 C ATOM 1063 C LYS A 48 -7.698 6.026 -5.437 1.00 0.00 C ATOM 1064 O LYS A 48 -6.914 5.442 -4.687 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.237 4.343 -6.465 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.811 3.712 -7.722 1.00 0.00 C ATOM 1067 CD LYS A 48 -11.229 3.210 -7.497 1.00 0.00 C ATOM 1068 CE LYS A 48 -11.260 1.706 -7.276 1.00 0.00 C ATOM 1069 NZ LYS A 48 -12.622 1.226 -6.913 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.984 3.756 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.562 6.165 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.822 3.559 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.044 4.813 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.807 4.442 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.176 2.884 -8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.662 3.715 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.847 3.465 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.926 1.199 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.559 1.441 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.601 0.196 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.931 1.690 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.287 1.456 -7.679 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.194 7.229 -5.170 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.840 7.950 -3.953 1.00 0.00 C ATOM 1085 C GLN A 49 -8.588 7.386 -2.750 1.00 0.00 C ATOM 1086 O GLN A 49 -9.818 7.354 -2.731 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.152 9.440 -4.110 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.306 10.335 -3.219 1.00 0.00 C ATOM 1089 CD GLN A 49 -8.023 10.732 -1.943 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -8.412 9.880 -1.145 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -8.202 12.033 -1.746 1.00 0.00 N ATOM 0 H GLN A 49 -8.843 7.726 -5.780 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.770 7.825 -3.784 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.999 9.727 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.205 9.608 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.380 9.819 -2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.029 11.233 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.863 12.705 -2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.679 12.361 -0.906 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.836 6.942 -1.748 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.428 6.379 -0.540 1.00 0.00 C ATOM 1102 C LEU A 50 -8.970 7.481 0.365 1.00 0.00 C ATOM 1103 O LEU A 50 -8.237 8.047 1.176 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.393 5.541 0.215 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.565 4.027 0.088 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.488 3.597 -1.369 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.521 3.303 0.917 1.00 0.00 C ATOM 0 H LEU A 50 -6.816 6.961 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.259 5.738 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.400 5.809 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.433 5.808 1.271 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.551 3.760 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.613 2.516 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.278 4.090 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.518 3.877 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.658 2.226 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.525 3.577 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.629 3.585 1.964 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.256 7.781 0.221 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.894 8.814 1.028 1.00 0.00 C ATOM 1121 C GLU A 51 -11.104 8.332 2.460 1.00 0.00 C ATOM 1122 O GLU A 51 -11.173 7.131 2.716 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.233 9.219 0.410 1.00 0.00 C ATOM 1124 CG GLU A 51 -12.107 10.258 -0.692 1.00 0.00 C ATOM 1125 CD GLU A 51 -13.247 11.258 -0.683 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.480 11.883 0.373 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -13.905 11.417 -1.732 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.877 7.324 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.236 9.683 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.720 8.331 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.882 9.610 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.162 10.789 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.077 9.755 -1.659 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.206 9.278 3.389 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.408 8.950 4.796 1.00 0.00 C ATOM 1136 C ASP A 52 -12.644 8.073 4.983 1.00 0.00 C ATOM 1137 O ASP A 52 -12.713 7.272 5.914 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.547 10.229 5.624 1.00 0.00 C ATOM 1139 CG ASP A 52 -10.203 10.807 6.023 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -9.217 10.042 6.070 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -10.138 12.026 6.289 1.00 0.00 O ATOM 0 H ASP A 52 -11.152 10.277 3.193 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.536 8.393 5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.103 10.971 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.129 10.017 6.521 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.617 8.232 4.092 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.835 7.448 4.177 1.00 0.00 C ATOM 1148 C GLY A 53 -14.924 6.394 3.091 1.00 0.00 C ATOM 1149 O GLY A 53 -15.826 6.430 2.254 1.00 0.00 O ATOM 0 H GLY A 53 -13.584 8.890 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.885 6.965 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.696 8.112 4.106 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.985 5.453 3.103 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.961 4.384 2.112 1.00 0.00 C ATOM 1155 C ARG A 54 -13.560 3.058 2.750 1.00 0.00 C ATOM 1156 O ARG A 54 -12.708 3.018 3.638 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.994 4.731 0.979 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.517 5.807 0.042 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.822 5.386 -0.617 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.000 6.007 -1.927 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.173 6.104 -2.548 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.274 5.622 -1.984 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -16.247 6.684 -3.738 1.00 0.00 N ATOM 0 H ARG A 54 -13.231 5.410 3.788 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.966 4.280 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.049 5.063 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.784 3.830 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.671 6.732 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.772 6.016 -0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.840 4.301 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.658 5.656 0.029 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.177 6.389 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.224 5.174 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.170 5.700 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.405 7.056 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.146 6.758 -4.214 1.00 0.00 H new ATOM 1177 N THR A 55 -14.178 1.975 2.292 1.00 0.00 N ATOM 1178 CA THR A 55 -13.884 0.647 2.820 1.00 0.00 C ATOM 1179 C THR A 55 -12.669 0.041 2.125 1.00 0.00 C ATOM 1180 O THR A 55 -12.121 0.623 1.188 1.00 0.00 O ATOM 1181 CB THR A 55 -15.096 -0.271 2.653 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.907 0.161 1.575 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.970 -0.337 3.887 1.00 0.00 C ATOM 0 H THR A 55 -14.885 1.990 1.557 1.00 0.00 H new ATOM 0 HA THR A 55 -13.658 0.747 3.882 1.00 0.00 H new ATOM 0 HB THR A 55 -14.684 -1.263 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.676 -0.440 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.811 -1.005 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.386 -0.714 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.343 0.660 4.122 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.253 -1.133 2.592 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.103 -1.820 2.019 1.00 0.00 C ATOM 1193 C LEU A 56 -11.521 -2.749 0.885 1.00 0.00 C ATOM 1194 O LEU A 56 -11.050 -2.619 -0.244 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.371 -2.611 3.094 1.00 0.00 C ATOM 1196 CG LEU A 56 -10.057 -1.844 4.378 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.732 -2.292 4.936 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.988 -0.356 4.129 1.00 0.00 C ATOM 0 H LEU A 56 -12.696 -1.627 3.366 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.433 -1.064 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.972 -3.483 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.435 -2.981 2.674 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.860 -2.051 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.517 -1.740 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.772 -3.359 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.946 -2.102 4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.763 0.159 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.205 -0.145 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.946 -0.007 3.744 1.00 0.00 H new ATOM 1210 N SER A 57 -12.409 -3.690 1.196 1.00 0.00 N ATOM 1211 CA SER A 57 -12.893 -4.644 0.208 1.00 0.00 C ATOM 1212 C SER A 57 -13.403 -3.933 -1.044 1.00 0.00 C ATOM 1213 O SER A 57 -13.396 -4.500 -2.137 1.00 0.00 O ATOM 1214 CB SER A 57 -14.000 -5.509 0.818 1.00 0.00 C ATOM 1215 OG SER A 57 -15.287 -5.017 0.482 1.00 0.00 O ATOM 0 H SER A 57 -12.807 -3.810 2.127 1.00 0.00 H new ATOM 0 HA SER A 57 -12.061 -5.283 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.898 -6.535 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.890 -5.532 1.902 1.00 0.00 H new ATOM 0 HG SER A 57 -15.972 -5.591 0.884 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.840 -2.689 -0.878 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.348 -1.902 -1.995 1.00 0.00 C ATOM 1223 C ASP A 58 -13.209 -1.457 -2.907 1.00 0.00 C ATOM 1224 O ASP A 58 -13.390 -1.306 -4.114 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.113 -0.681 -1.482 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.940 -0.019 -2.566 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -15.611 -0.199 -3.757 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -16.915 0.682 -2.225 1.00 0.00 O ATOM 0 H ASP A 58 -13.852 -2.204 0.019 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.028 -2.530 -2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.767 -0.983 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.406 0.042 -1.075 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.035 -1.250 -2.319 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.864 -0.822 -3.078 1.00 0.00 C ATOM 1235 C TYR A 59 -10.025 -2.019 -3.527 1.00 0.00 C ATOM 1236 O TYR A 59 -8.919 -1.853 -4.040 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.007 0.127 -2.240 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.419 1.578 -2.353 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.701 2.146 -3.590 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.525 2.380 -1.224 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -11.077 3.471 -3.697 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.901 3.706 -1.323 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.176 4.246 -2.561 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.550 5.567 -2.664 1.00 0.00 O ATOM 0 H TYR A 59 -11.869 -1.371 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.216 -0.299 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.061 -0.176 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.966 0.029 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.625 1.542 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.310 1.960 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.292 3.898 -4.666 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.979 4.316 -0.435 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.876 6.132 -2.232 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.556 -3.225 -3.334 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.850 -4.440 -3.724 1.00 0.00 C ATOM 1256 C ASN A 60 -8.528 -4.574 -2.974 1.00 0.00 C ATOM 1257 O ASN A 60 -7.518 -4.985 -3.546 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.599 -4.447 -5.233 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.886 -4.447 -6.034 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.140 -3.536 -6.822 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.705 -5.473 -5.836 1.00 0.00 N ATOM 0 H ASN A 60 -11.470 -3.385 -2.911 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.478 -5.292 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.006 -3.573 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.011 -5.326 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.586 -5.528 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.453 -6.206 -5.173 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.540 -4.225 -1.691 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.340 -4.311 -0.867 1.00 0.00 C ATOM 1270 C ILE A 61 -7.170 -5.714 -0.293 1.00 0.00 C ATOM 1271 O ILE A 61 -7.802 -6.069 0.702 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.374 -3.293 0.290 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.690 -1.892 -0.240 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -6.049 -3.296 1.038 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.675 -0.820 0.830 1.00 0.00 C ATOM 0 H ILE A 61 -9.366 -3.881 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.494 -4.080 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.162 -3.583 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.965 -1.633 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.671 -1.905 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.089 -2.572 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.863 -4.290 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.244 -3.028 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.907 0.146 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.419 -1.055 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.687 -0.778 1.289 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.314 -6.508 -0.928 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.061 -7.873 -0.481 1.00 0.00 C ATOM 1289 C GLN A 62 -5.037 -7.896 0.649 1.00 0.00 C ATOM 1290 O GLN A 62 -4.603 -6.849 1.128 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.570 -8.731 -1.650 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.683 -9.478 -2.366 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.002 -10.810 -1.714 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -6.406 -11.835 -2.044 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -7.949 -10.801 -0.783 1.00 0.00 N ATOM 0 H GLN A 62 -5.784 -6.230 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.997 -8.285 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.053 -8.093 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.840 -9.451 -1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.581 -8.860 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.395 -9.645 -3.404 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.417 -9.928 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.208 -11.667 -0.310 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.655 -9.098 1.071 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.681 -9.255 2.145 1.00 0.00 C ATOM 1306 C LYS A 63 -2.262 -9.029 1.631 1.00 0.00 C ATOM 1307 O LYS A 63 -1.946 -9.357 0.487 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.796 -10.649 2.767 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.394 -11.773 1.825 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.288 -12.989 1.992 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.730 -12.680 1.616 1.00 0.00 C ATOM 1312 NZ LYS A 63 -6.102 -13.279 0.305 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.005 -9.976 0.686 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.895 -8.506 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.170 -10.692 3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.824 -10.809 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.446 -11.421 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.358 -12.054 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.916 -13.803 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.247 -13.333 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.396 -13.059 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.871 -11.600 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.110 -13.535 0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.926 -12.590 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.530 -14.131 0.138 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.413 -8.465 2.484 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.027 -8.192 2.118 1.00 0.00 C ATOM 1328 C GLU A 64 0.049 -7.319 0.868 1.00 0.00 C ATOM 1329 O GLU A 64 1.042 -7.346 0.141 1.00 0.00 O ATOM 1330 CB GLU A 64 0.730 -9.501 1.886 1.00 0.00 C ATOM 1331 CG GLU A 64 1.080 -10.236 3.169 1.00 0.00 C ATOM 1332 CD GLU A 64 1.917 -11.476 2.921 1.00 0.00 C ATOM 1333 OE1 GLU A 64 1.483 -12.335 2.125 1.00 0.00 O ATOM 1334 OE2 GLU A 64 3.007 -11.588 3.521 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.660 -8.188 3.434 1.00 0.00 H new ATOM 0 HA GLU A 64 0.438 -7.652 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.126 -10.154 1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.647 -9.288 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.623 -9.563 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.162 -10.519 3.683 1.00 0.00 H new ATOM 1341 N SER A 65 -1.004 -6.545 0.625 1.00 0.00 N ATOM 1342 CA SER A 65 -1.050 -5.664 -0.536 1.00 0.00 C ATOM 1343 C SER A 65 -0.078 -4.502 -0.368 1.00 0.00 C ATOM 1344 O SER A 65 0.672 -4.444 0.606 1.00 0.00 O ATOM 1345 CB SER A 65 -2.468 -5.132 -0.746 1.00 0.00 C ATOM 1346 OG SER A 65 -3.388 -6.193 -0.937 1.00 0.00 O ATOM 0 H SER A 65 -1.835 -6.510 1.215 1.00 0.00 H new ATOM 0 HA SER A 65 -0.756 -6.241 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.768 -4.537 0.117 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.487 -4.470 -1.612 1.00 0.00 H new ATOM 0 HG SER A 65 -4.154 -6.074 -0.337 1.00 0.00 H new ATOM 1352 N THR A 66 -0.095 -3.577 -1.322 1.00 0.00 N ATOM 1353 CA THR A 66 0.788 -2.418 -1.275 1.00 0.00 C ATOM 1354 C THR A 66 -0.006 -1.121 -1.392 1.00 0.00 C ATOM 1355 O THR A 66 -0.403 -0.721 -2.488 1.00 0.00 O ATOM 1356 CB THR A 66 1.836 -2.497 -2.387 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.612 -3.625 -3.215 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.253 -2.587 -1.862 1.00 0.00 C ATOM 0 H THR A 66 -0.709 -3.607 -2.136 1.00 0.00 H new ATOM 0 HA THR A 66 1.297 -2.422 -0.311 1.00 0.00 H new ATOM 0 HB THR A 66 1.729 -1.570 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.293 -3.654 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.949 -2.640 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.475 -1.705 -1.261 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.357 -3.481 -1.247 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.232 -0.467 -0.258 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.975 0.788 -0.234 1.00 0.00 C ATOM 1368 C LEU A 67 -0.024 1.978 -0.318 1.00 0.00 C ATOM 1369 O LEU A 67 0.865 2.133 0.517 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.825 0.881 1.038 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.150 0.119 0.998 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -4.012 0.475 2.200 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.899 0.400 -0.296 1.00 0.00 C ATOM 0 H LEU A 67 0.089 -0.785 0.657 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.636 0.811 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.236 0.508 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.035 1.932 1.238 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.926 -0.947 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.950 -0.078 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.483 0.214 3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.221 1.545 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.838 -0.153 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.107 1.467 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.290 0.088 -1.144 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.215 2.812 -1.335 1.00 0.00 N ATOM 1386 CA HIS A 68 0.630 3.985 -1.529 1.00 0.00 C ATOM 1387 C HIS A 68 0.271 5.087 -0.540 1.00 0.00 C ATOM 1388 O HIS A 68 -0.883 5.505 -0.456 1.00 0.00 O ATOM 1389 CB HIS A 68 0.496 4.506 -2.961 1.00 0.00 C ATOM 1390 CG HIS A 68 0.711 3.452 -4.004 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.934 2.861 -4.236 1.00 0.00 N ATOM 1392 CD2 HIS A 68 -0.152 2.884 -4.880 1.00 0.00 C ATOM 1393 CE1 HIS A 68 1.815 1.975 -5.210 1.00 0.00 C ATOM 1394 NE2 HIS A 68 0.559 1.969 -5.616 1.00 0.00 N ATOM 0 H HIS A 68 -0.946 2.698 -2.037 1.00 0.00 H new ATOM 0 HA HIS A 68 1.664 3.688 -1.353 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.497 4.937 -3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.215 5.310 -3.115 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.796 3.074 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.203 3.109 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.610 1.361 -5.606 1.00 0.00 H new ATOM 1403 N LEU A 69 1.266 5.557 0.205 1.00 0.00 N ATOM 1404 CA LEU A 69 1.051 6.613 1.187 1.00 0.00 C ATOM 1405 C LEU A 69 1.674 7.925 0.721 1.00 0.00 C ATOM 1406 O LEU A 69 2.750 7.937 0.125 1.00 0.00 O ATOM 1407 CB LEU A 69 1.640 6.211 2.540 1.00 0.00 C ATOM 1408 CG LEU A 69 1.085 6.976 3.738 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.045 6.089 4.974 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.925 8.208 3.990 1.00 0.00 C ATOM 0 H LEU A 69 2.228 5.224 0.147 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.024 6.758 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.463 5.147 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.720 6.353 2.506 1.00 0.00 H new ATOM 0 HG LEU A 69 0.063 7.284 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.646 6.655 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.407 5.226 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.053 5.749 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.526 8.752 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.953 7.911 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.902 8.850 3.110 1.00 0.00 H new ATOM 1422 N VAL A 70 0.988 9.030 0.998 1.00 0.00 N ATOM 1423 CA VAL A 70 1.472 10.349 0.610 1.00 0.00 C ATOM 1424 C VAL A 70 1.493 11.298 1.803 1.00 0.00 C ATOM 1425 O VAL A 70 0.480 11.911 2.139 1.00 0.00 O ATOM 1426 CB VAL A 70 0.602 10.962 -0.504 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.235 12.238 -1.036 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.385 9.958 -1.626 1.00 0.00 C ATOM 0 H VAL A 70 0.095 9.037 1.490 1.00 0.00 H new ATOM 0 HA VAL A 70 2.487 10.216 0.236 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.370 11.216 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.606 12.656 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.332 12.961 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.221 12.013 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.232 10.409 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.348 9.670 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.117 9.075 -1.232 1.00 0.00 H new ATOM 1438 N LEU A 71 2.654 11.414 2.439 1.00 0.00 N ATOM 1439 CA LEU A 71 2.806 12.290 3.596 1.00 0.00 C ATOM 1440 C LEU A 71 2.749 13.756 3.180 1.00 0.00 C ATOM 1441 O LEU A 71 3.695 14.283 2.595 1.00 0.00 O ATOM 1442 CB LEU A 71 4.131 12.002 4.309 1.00 0.00 C ATOM 1443 CG LEU A 71 4.417 10.522 4.573 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.895 10.308 4.857 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.571 10.015 5.731 1.00 0.00 C ATOM 0 H LEU A 71 3.502 10.914 2.174 1.00 0.00 H new ATOM 0 HA LEU A 71 1.981 12.093 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.944 12.412 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.136 12.533 5.261 1.00 0.00 H new ATOM 0 HG LEU A 71 4.153 9.955 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.080 9.250 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.481 10.634 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.184 10.886 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.787 8.961 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.804 10.586 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.515 10.134 5.489 1.00 0.00 H new ATOM 1457 N ARG A 72 1.632 14.409 3.484 1.00 0.00 N ATOM 1458 CA ARG A 72 1.451 15.816 3.141 1.00 0.00 C ATOM 1459 C ARG A 72 2.259 16.711 4.075 1.00 0.00 C ATOM 1460 O ARG A 72 2.459 16.385 5.245 1.00 0.00 O ATOM 1461 CB ARG A 72 -0.030 16.193 3.206 1.00 0.00 C ATOM 1462 CG ARG A 72 -0.412 17.321 2.262 1.00 0.00 C ATOM 1463 CD ARG A 72 -1.606 18.104 2.785 1.00 0.00 C ATOM 1464 NE ARG A 72 -2.246 18.893 1.734 1.00 0.00 N ATOM 1465 CZ ARG A 72 -3.274 19.712 1.944 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -3.782 19.852 3.163 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -3.796 20.392 0.933 1.00 0.00 N ATOM 0 H ARG A 72 0.839 13.987 3.967 1.00 0.00 H new ATOM 0 HA ARG A 72 1.811 15.966 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.631 15.314 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.278 16.485 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.437 17.993 2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.646 16.911 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.333 17.414 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.282 18.765 3.589 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.884 18.811 0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.384 19.330 3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.570 20.481 3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.410 20.287 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.584 21.020 1.093 1.00 0.00 H new ATOM 1481 N LEU A 73 2.720 17.842 3.550 1.00 0.00 N ATOM 1482 CA LEU A 73 3.505 18.786 4.337 1.00 0.00 C ATOM 1483 C LEU A 73 2.600 19.778 5.058 1.00 0.00 C ATOM 1484 O LEU A 73 1.839 20.513 4.427 1.00 0.00 O ATOM 1485 CB LEU A 73 4.491 19.536 3.438 1.00 0.00 C ATOM 1486 CG LEU A 73 5.476 20.444 4.175 1.00 0.00 C ATOM 1487 CD1 LEU A 73 6.723 19.669 4.571 1.00 0.00 C ATOM 1488 CD2 LEU A 73 5.842 21.643 3.312 1.00 0.00 C ATOM 0 H LEU A 73 2.563 18.127 2.583 1.00 0.00 H new ATOM 0 HA LEU A 73 4.063 18.222 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.057 18.807 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.925 20.139 2.728 1.00 0.00 H new ATOM 0 HG LEU A 73 4.996 20.808 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.412 20.332 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.445 18.843 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.206 19.276 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.544 22.279 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.303 21.298 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.942 22.212 3.079 1.00 0.00 H new ATOM 1500 N ARG A 74 2.688 19.797 6.384 1.00 0.00 N ATOM 1501 CA ARG A 74 1.876 20.700 7.192 1.00 0.00 C ATOM 1502 C ARG A 74 2.745 21.761 7.860 1.00 0.00 C ATOM 1503 O ARG A 74 3.185 21.592 8.997 1.00 0.00 O ATOM 1504 CB ARG A 74 1.105 19.914 8.254 1.00 0.00 C ATOM 1505 CG ARG A 74 0.204 20.782 9.118 1.00 0.00 C ATOM 1506 CD ARG A 74 -1.129 21.051 8.441 1.00 0.00 C ATOM 1507 NE ARG A 74 -1.155 22.352 7.778 1.00 0.00 N ATOM 1508 CZ ARG A 74 -2.268 22.951 7.362 1.00 0.00 C ATOM 1509 NH1 ARG A 74 -3.448 22.369 7.537 1.00 0.00 N1+ ATOM 1510 NH2 ARG A 74 -2.201 24.135 6.768 1.00 0.00 N ATOM 0 H ARG A 74 3.314 19.197 6.922 1.00 0.00 H new ATOM 0 HA ARG A 74 1.166 21.199 6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.499 19.153 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.815 19.392 8.895 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.034 20.290 10.076 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.703 21.728 9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.328 20.268 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.927 21.006 9.182 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.267 22.830 7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.505 21.458 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.298 22.833 7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.297 24.586 6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.054 24.595 6.449 1.00 0.00 H new ATOM 1524 N GLY A 75 2.988 22.855 7.146 1.00 0.00 N ATOM 1525 CA GLY A 75 3.803 23.928 7.687 1.00 0.00 C ATOM 1526 C GLY A 75 3.822 25.149 6.790 1.00 0.00 C ATOM 1527 O GLY A 75 4.888 25.654 6.438 1.00 0.00 O ATOM 0 H GLY A 75 2.636 23.018 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.424 24.209 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.822 23.570 7.829 1.00 0.00 H new ATOM 1531 N GLY A 76 2.638 25.628 6.420 1.00 0.00 N ATOM 1532 CA GLY A 76 2.545 26.795 5.563 1.00 0.00 C ATOM 1533 C GLY A 76 1.363 26.726 4.616 1.00 0.00 C ATOM 1534 O GLY A 76 1.588 26.640 3.391 1.00 0.00 O ATOM 1535 OXT GLY A 76 0.213 26.757 5.100 1.00 0.00 O ATOM 0 H GLY A 76 1.742 25.228 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.460 27.689 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.464 26.892 4.985 1.00 0.00 H new TER 1539 GLY A 76