USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 75 SER OG : rot 180:sc= 0.0353 USER MOD Set 1.2: A 100 LYS NZ :NH3+ -107:sc= -0.034 (180deg=-0.742) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 164:sc= -0.0318 (180deg=-0.352) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.2! K(o=-2.2!,f=-2.8) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.714 F(o=-1.8!,f=-0.71) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 120:sc= -0.0742 USER MOD Single : A 98 SER OG : rot -34:sc= -2.02! USER MOD Single : A 103 ASN : amide:sc= -0.0479 K(o=-0.048,f=-0.77) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.172 F(o=-2.8,f=-0.17) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.907 F(o=-2.8!,f=-0.91) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -32:sc= 0.252 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.013) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN :FLIP amide:sc= -0.203 F(o=-1.1,f=-0.2) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 91:sc= 0.0341 USER MOD Single : A 143 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 145 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 153 GLN : amide:sc=-0.00707 X(o=-0.0071,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 0.843 0.077 -0.185 1.00 34.24 N ATOM 2 CA TRP A 60 1.577 0.127 -1.444 1.00 74.30 C ATOM 3 C TRP A 60 1.815 -1.276 -1.991 1.00 75.43 C ATOM 4 O TRP A 60 2.395 -1.445 -3.064 1.00 51.40 O ATOM 5 CB TRP A 60 2.913 0.846 -1.251 1.00 73.31 C ATOM 6 CG TRP A 60 3.467 0.707 0.134 1.00 2.34 C ATOM 7 CD1 TRP A 60 3.511 1.672 1.100 1.00 42.33 C ATOM 8 CD2 TRP A 60 4.058 -0.464 0.708 1.00 41.01 C ATOM 9 NE1 TRP A 60 4.094 1.172 2.239 1.00 70.51 N ATOM 10 CE2 TRP A 60 4.437 -0.137 2.025 1.00 64.14 C ATOM 11 CE3 TRP A 60 4.302 -1.757 0.238 1.00 33.44 C ATOM 12 CZ2 TRP A 60 5.047 -1.057 2.873 1.00 4.13 C ATOM 13 CZ3 TRP A 60 4.908 -2.669 1.082 1.00 75.02 C ATOM 14 CH2 TRP A 60 5.274 -2.316 2.387 1.00 1.14 C ATOM 0 HA TRP A 60 0.976 0.681 -2.165 1.00 74.30 H new ATOM 0 HB2 TRP A 60 3.636 0.452 -1.965 1.00 73.31 H new ATOM 0 HB3 TRP A 60 2.784 1.904 -1.479 1.00 73.31 H new ATOM 0 HD1 TRP A 60 3.142 2.680 0.985 1.00 42.33 H new ATOM 0 HE1 TRP A 60 4.247 1.691 3.104 1.00 70.51 H new ATOM 0 HE3 TRP A 60 4.022 -2.039 -0.766 1.00 33.44 H new ATOM 0 HZ2 TRP A 60 5.331 -0.787 3.879 1.00 4.13 H new ATOM 0 HZ3 TRP A 60 5.103 -3.671 0.729 1.00 75.02 H new ATOM 0 HH2 TRP A 60 5.745 -3.052 3.022 1.00 1.14 H new ATOM 25 N PHE A 61 1.363 -2.281 -1.248 1.00 71.22 N ATOM 26 CA PHE A 61 1.528 -3.671 -1.659 1.00 52.55 C ATOM 27 C PHE A 61 0.327 -4.143 -2.473 1.00 74.03 C ATOM 28 O PHE A 61 -0.817 -3.804 -2.168 1.00 2.41 O ATOM 29 CB PHE A 61 1.713 -4.569 -0.435 1.00 3.43 C ATOM 30 CG PHE A 61 1.271 -5.986 -0.658 1.00 73.43 C ATOM 31 CD1 PHE A 61 1.836 -6.752 -1.665 1.00 62.01 C ATOM 32 CD2 PHE A 61 0.289 -6.553 0.138 1.00 33.30 C ATOM 33 CE1 PHE A 61 1.432 -8.057 -1.873 1.00 75.24 C ATOM 34 CE2 PHE A 61 -0.120 -7.858 -0.065 1.00 43.12 C ATOM 35 CZ PHE A 61 0.451 -8.610 -1.073 1.00 24.31 C ATOM 0 H PHE A 61 0.880 -2.159 -0.358 1.00 71.22 H new ATOM 0 HA PHE A 61 2.418 -3.735 -2.285 1.00 52.55 H new ATOM 0 HB2 PHE A 61 2.765 -4.566 -0.148 1.00 3.43 H new ATOM 0 HB3 PHE A 61 1.153 -4.150 0.401 1.00 3.43 H new ATOM 0 HD1 PHE A 61 2.602 -6.324 -2.295 1.00 62.01 H new ATOM 0 HD2 PHE A 61 -0.162 -5.969 0.926 1.00 33.30 H new ATOM 0 HE1 PHE A 61 1.883 -8.644 -2.660 1.00 75.24 H new ATOM 0 HE2 PHE A 61 -0.885 -8.289 0.564 1.00 43.12 H new ATOM 0 HZ PHE A 61 0.131 -9.629 -1.235 1.00 24.31 H new ATOM 45 N PHE A 62 0.595 -4.928 -3.511 1.00 72.15 N ATOM 46 CA PHE A 62 -0.463 -5.447 -4.371 1.00 42.42 C ATOM 47 C PHE A 62 -0.306 -6.950 -4.580 1.00 30.02 C ATOM 48 O PHE A 62 0.798 -7.445 -4.804 1.00 13.02 O ATOM 49 CB PHE A 62 -0.449 -4.729 -5.722 1.00 41.43 C ATOM 50 CG PHE A 62 -1.295 -3.488 -5.750 1.00 44.43 C ATOM 51 CD1 PHE A 62 -0.869 -2.329 -5.121 1.00 42.24 C ATOM 52 CD2 PHE A 62 -2.516 -3.480 -6.405 1.00 64.13 C ATOM 53 CE1 PHE A 62 -1.644 -1.185 -5.146 1.00 14.13 C ATOM 54 CE2 PHE A 62 -3.295 -2.339 -6.433 1.00 72.22 C ATOM 55 CZ PHE A 62 -2.860 -1.191 -5.802 1.00 3.44 C ATOM 0 H PHE A 62 1.536 -5.219 -3.777 1.00 72.15 H new ATOM 0 HA PHE A 62 -1.419 -5.264 -3.880 1.00 42.42 H new ATOM 0 HB2 PHE A 62 0.578 -4.465 -5.973 1.00 41.43 H new ATOM 0 HB3 PHE A 62 -0.799 -5.415 -6.493 1.00 41.43 H new ATOM 0 HD1 PHE A 62 0.080 -2.320 -4.605 1.00 42.24 H new ATOM 0 HD2 PHE A 62 -2.863 -4.376 -6.899 1.00 64.13 H new ATOM 0 HE1 PHE A 62 -1.300 -0.288 -4.653 1.00 14.13 H new ATOM 0 HE2 PHE A 62 -4.244 -2.345 -6.948 1.00 72.22 H new ATOM 0 HZ PHE A 62 -3.469 -0.299 -5.821 1.00 3.44 H new ATOM 65 N GLY A 63 -1.420 -7.672 -4.504 1.00 14.42 N ATOM 66 CA GLY A 63 -1.386 -9.111 -4.686 1.00 1.13 C ATOM 67 C GLY A 63 -1.007 -9.508 -6.099 1.00 4.15 C ATOM 68 O GLY A 63 -0.236 -8.813 -6.762 1.00 14.14 O ATOM 0 H GLY A 63 -2.346 -7.285 -4.320 1.00 14.42 H new ATOM 0 HA2 GLY A 63 -0.673 -9.546 -3.986 1.00 1.13 H new ATOM 0 HA3 GLY A 63 -2.364 -9.528 -4.445 1.00 1.13 H new ATOM 72 N LYS A 64 -1.547 -10.630 -6.561 1.00 61.13 N ATOM 73 CA LYS A 64 -1.261 -11.120 -7.905 1.00 33.25 C ATOM 74 C LYS A 64 -1.571 -10.054 -8.950 1.00 54.12 C ATOM 75 O LYS A 64 -2.703 -9.947 -9.425 1.00 24.33 O ATOM 76 CB LYS A 64 -2.075 -12.384 -8.192 1.00 51.14 C ATOM 77 CG LYS A 64 -1.285 -13.669 -8.017 1.00 71.22 C ATOM 78 CD LYS A 64 -1.744 -14.443 -6.793 1.00 30.32 C ATOM 79 CE LYS A 64 -1.333 -13.745 -5.506 1.00 15.24 C ATOM 80 NZ LYS A 64 -2.427 -13.756 -4.495 1.00 73.22 N ATOM 0 H LYS A 64 -2.185 -11.218 -6.025 1.00 61.13 H new ATOM 0 HA LYS A 64 -0.199 -11.359 -7.960 1.00 33.25 H new ATOM 0 HB2 LYS A 64 -2.941 -12.407 -7.530 1.00 51.14 H new ATOM 0 HB3 LYS A 64 -2.455 -12.337 -9.212 1.00 51.14 H new ATOM 0 HG2 LYS A 64 -1.398 -14.291 -8.905 1.00 71.22 H new ATOM 0 HG3 LYS A 64 -0.224 -13.435 -7.924 1.00 71.22 H new ATOM 0 HD2 LYS A 64 -2.828 -14.555 -6.817 1.00 30.32 H new ATOM 0 HD3 LYS A 64 -1.319 -15.447 -6.815 1.00 30.32 H new ATOM 0 HE2 LYS A 64 -0.452 -14.235 -5.093 1.00 15.24 H new ATOM 0 HE3 LYS A 64 -1.052 -12.715 -5.725 1.00 15.24 H new ATOM 0 HZ1 LYS A 64 -2.107 -13.271 -3.632 1.00 73.22 H new ATOM 0 HZ2 LYS A 64 -3.260 -13.266 -4.879 1.00 73.22 H new ATOM 0 HZ3 LYS A 64 -2.678 -14.739 -4.266 1.00 73.22 H new ATOM 94 N ILE A 65 -0.560 -9.268 -9.305 1.00 73.55 N ATOM 95 CA ILE A 65 -0.725 -8.213 -10.297 1.00 15.21 C ATOM 96 C ILE A 65 0.438 -8.197 -11.282 1.00 43.02 C ATOM 97 O ILE A 65 1.608 -8.203 -10.899 1.00 64.33 O ATOM 98 CB ILE A 65 -0.839 -6.828 -9.632 1.00 31.54 C ATOM 99 CG1 ILE A 65 0.496 -6.431 -8.999 1.00 64.15 C ATOM 100 CG2 ILE A 65 -1.945 -6.832 -8.587 1.00 54.13 C ATOM 101 CD1 ILE A 65 1.279 -5.429 -9.819 1.00 72.35 C ATOM 0 H ILE A 65 0.382 -9.342 -8.920 1.00 73.55 H new ATOM 0 HA ILE A 65 -1.649 -8.427 -10.834 1.00 15.21 H new ATOM 0 HB ILE A 65 -1.090 -6.093 -10.397 1.00 31.54 H new ATOM 0 HG12 ILE A 65 0.310 -6.013 -8.010 1.00 64.15 H new ATOM 0 HG13 ILE A 65 1.102 -7.326 -8.858 1.00 64.15 H new ATOM 0 HG21 ILE A 65 -2.013 -5.847 -8.126 1.00 54.13 H new ATOM 0 HG22 ILE A 65 -2.895 -7.077 -9.063 1.00 54.13 H new ATOM 0 HG23 ILE A 65 -1.720 -7.576 -7.822 1.00 54.13 H new ATOM 0 HD11 ILE A 65 2.214 -5.193 -9.310 1.00 72.35 H new ATOM 0 HD12 ILE A 65 1.496 -5.852 -10.800 1.00 72.35 H new ATOM 0 HD13 ILE A 65 0.692 -4.519 -9.939 1.00 72.35 H new ATOM 113 N PRO A 66 0.112 -8.174 -12.583 1.00 30.10 N ATOM 114 CA PRO A 66 1.116 -8.154 -13.651 1.00 21.23 C ATOM 115 C PRO A 66 1.868 -6.829 -13.715 1.00 55.23 C ATOM 116 O PRO A 66 1.353 -5.792 -13.296 1.00 2.12 O ATOM 117 CB PRO A 66 0.287 -8.361 -14.921 1.00 24.41 C ATOM 118 CG PRO A 66 -1.072 -7.862 -14.572 1.00 11.11 C ATOM 119 CD PRO A 66 -1.262 -8.165 -13.111 1.00 74.35 C ATOM 0 HA PRO A 66 1.886 -8.910 -13.501 1.00 21.23 H new ATOM 0 HB2 PRO A 66 0.707 -7.810 -15.762 1.00 24.41 H new ATOM 0 HB3 PRO A 66 0.261 -9.412 -15.210 1.00 24.41 H new ATOM 0 HG2 PRO A 66 -1.156 -6.792 -14.763 1.00 11.11 H new ATOM 0 HG3 PRO A 66 -1.835 -8.354 -15.175 1.00 11.11 H new ATOM 0 HD2 PRO A 66 -1.876 -7.410 -12.621 1.00 74.35 H new ATOM 0 HD3 PRO A 66 -1.757 -9.125 -12.961 1.00 74.35 H new ATOM 127 N ARG A 67 3.086 -6.870 -14.243 1.00 64.04 N ATOM 128 CA ARG A 67 3.909 -5.672 -14.362 1.00 14.11 C ATOM 129 C ARG A 67 3.094 -4.506 -14.914 1.00 12.21 C ATOM 130 O ARG A 67 3.280 -3.359 -14.508 1.00 54.04 O ATOM 131 CB ARG A 67 5.112 -5.941 -15.267 1.00 50.13 C ATOM 132 CG ARG A 67 4.775 -6.765 -16.499 1.00 41.23 C ATOM 133 CD ARG A 67 5.707 -7.958 -16.644 1.00 1.33 C ATOM 134 NE ARG A 67 7.078 -7.631 -16.260 1.00 51.24 N ATOM 135 CZ ARG A 67 7.907 -6.928 -17.024 1.00 71.35 C ATOM 136 NH1 ARG A 67 7.506 -6.481 -18.206 1.00 40.14 N ATOM 137 NH2 ARG A 67 9.140 -6.672 -16.606 1.00 52.53 N ATOM 0 H ARG A 67 3.526 -7.720 -14.596 1.00 64.04 H new ATOM 0 HA ARG A 67 4.265 -5.406 -13.367 1.00 14.11 H new ATOM 0 HB2 ARG A 67 5.539 -4.989 -15.583 1.00 50.13 H new ATOM 0 HB3 ARG A 67 5.880 -6.459 -14.692 1.00 50.13 H new ATOM 0 HG2 ARG A 67 3.744 -7.113 -16.434 1.00 41.23 H new ATOM 0 HG3 ARG A 67 4.844 -6.138 -17.388 1.00 41.23 H new ATOM 0 HD2 ARG A 67 5.344 -8.779 -16.026 1.00 1.33 H new ATOM 0 HD3 ARG A 67 5.693 -8.306 -17.677 1.00 1.33 H new ATOM 0 HE ARG A 67 7.417 -7.960 -15.356 1.00 51.24 H new ATOM 0 HH11 ARG A 67 6.559 -6.677 -18.531 1.00 40.14 H new ATOM 0 HH12 ARG A 67 8.144 -5.941 -18.791 1.00 40.14 H new ATOM 0 HH21 ARG A 67 9.452 -7.015 -15.698 1.00 52.53 H new ATOM 0 HH22 ARG A 67 9.776 -6.132 -17.193 1.00 52.53 H new ATOM 151 N ALA A 68 2.191 -4.808 -15.842 1.00 3.05 N ATOM 152 CA ALA A 68 1.347 -3.786 -16.448 1.00 4.21 C ATOM 153 C ALA A 68 0.454 -3.122 -15.405 1.00 60.15 C ATOM 154 O ALA A 68 0.441 -1.898 -15.273 1.00 34.24 O ATOM 155 CB ALA A 68 0.504 -4.390 -17.561 1.00 41.20 C ATOM 0 H ALA A 68 2.026 -5.752 -16.190 1.00 3.05 H new ATOM 0 HA ALA A 68 1.995 -3.020 -16.873 1.00 4.21 H new ATOM 0 HB1 ALA A 68 -0.122 -3.616 -18.005 1.00 41.20 H new ATOM 0 HB2 ALA A 68 1.158 -4.811 -18.325 1.00 41.20 H new ATOM 0 HB3 ALA A 68 -0.129 -5.177 -17.152 1.00 41.20 H new ATOM 161 N LYS A 69 -0.292 -3.937 -14.668 1.00 14.02 N ATOM 162 CA LYS A 69 -1.189 -3.430 -13.636 1.00 52.20 C ATOM 163 C LYS A 69 -0.478 -2.413 -12.748 1.00 61.45 C ATOM 164 O LYS A 69 -1.023 -1.353 -12.444 1.00 23.05 O ATOM 165 CB LYS A 69 -1.722 -4.583 -12.783 1.00 14.01 C ATOM 166 CG LYS A 69 -3.237 -4.692 -12.785 1.00 54.54 C ATOM 167 CD LYS A 69 -3.743 -5.403 -14.029 1.00 34.53 C ATOM 168 CE LYS A 69 -4.886 -6.353 -13.701 1.00 41.44 C ATOM 169 NZ LYS A 69 -5.605 -6.799 -14.927 1.00 2.31 N ATOM 0 H LYS A 69 -0.293 -4.952 -14.766 1.00 14.02 H new ATOM 0 HA LYS A 69 -2.025 -2.934 -14.129 1.00 52.20 H new ATOM 0 HB2 LYS A 69 -1.298 -5.519 -13.147 1.00 14.01 H new ATOM 0 HB3 LYS A 69 -1.377 -4.455 -11.757 1.00 14.01 H new ATOM 0 HG2 LYS A 69 -3.565 -5.232 -11.897 1.00 54.54 H new ATOM 0 HG3 LYS A 69 -3.675 -3.695 -12.731 1.00 54.54 H new ATOM 0 HD2 LYS A 69 -4.078 -4.667 -14.759 1.00 34.53 H new ATOM 0 HD3 LYS A 69 -2.926 -5.959 -14.489 1.00 34.53 H new ATOM 0 HE2 LYS A 69 -4.495 -7.223 -13.172 1.00 41.44 H new ATOM 0 HE3 LYS A 69 -5.587 -5.859 -13.028 1.00 41.44 H new ATOM 0 HZ1 LYS A 69 -6.376 -7.445 -14.662 1.00 2.31 H new ATOM 0 HZ2 LYS A 69 -6.000 -5.972 -15.418 1.00 2.31 H new ATOM 0 HZ3 LYS A 69 -4.942 -7.293 -15.558 1.00 2.31 H new ATOM 183 N ALA A 70 0.742 -2.744 -12.338 1.00 63.15 N ATOM 184 CA ALA A 70 1.529 -1.858 -11.489 1.00 70.52 C ATOM 185 C ALA A 70 1.734 -0.501 -12.153 1.00 10.14 C ATOM 186 O ALA A 70 1.512 0.541 -11.536 1.00 71.42 O ATOM 187 CB ALA A 70 2.871 -2.496 -11.162 1.00 21.13 C ATOM 0 H ALA A 70 1.207 -3.619 -12.580 1.00 63.15 H new ATOM 0 HA ALA A 70 0.979 -1.700 -10.562 1.00 70.52 H new ATOM 0 HB1 ALA A 70 3.449 -1.824 -10.527 1.00 21.13 H new ATOM 0 HB2 ALA A 70 2.708 -3.438 -10.639 1.00 21.13 H new ATOM 0 HB3 ALA A 70 3.419 -2.684 -12.085 1.00 21.13 H new ATOM 193 N GLU A 71 2.160 -0.521 -13.412 1.00 15.11 N ATOM 194 CA GLU A 71 2.396 0.710 -14.157 1.00 73.14 C ATOM 195 C GLU A 71 1.171 1.619 -14.108 1.00 43.30 C ATOM 196 O GLU A 71 1.296 2.843 -14.082 1.00 12.24 O ATOM 197 CB GLU A 71 2.750 0.392 -15.611 1.00 70.35 C ATOM 198 CG GLU A 71 4.064 -0.354 -15.768 1.00 65.15 C ATOM 199 CD GLU A 71 4.413 -0.623 -17.220 1.00 32.24 C ATOM 200 OE1 GLU A 71 3.523 -1.079 -17.968 1.00 12.20 O ATOM 201 OE2 GLU A 71 5.575 -0.379 -17.607 1.00 15.14 O ATOM 0 H GLU A 71 2.349 -1.375 -13.937 1.00 15.11 H new ATOM 0 HA GLU A 71 3.233 1.231 -13.692 1.00 73.14 H new ATOM 0 HB2 GLU A 71 1.949 -0.204 -16.049 1.00 70.35 H new ATOM 0 HB3 GLU A 71 2.801 1.323 -16.176 1.00 70.35 H new ATOM 0 HG2 GLU A 71 4.864 0.226 -15.307 1.00 65.15 H new ATOM 0 HG3 GLU A 71 4.006 -1.301 -15.231 1.00 65.15 H new ATOM 208 N GLU A 72 -0.011 1.011 -14.097 1.00 24.34 N ATOM 209 CA GLU A 72 -1.257 1.766 -14.052 1.00 73.40 C ATOM 210 C GLU A 72 -1.479 2.369 -12.668 1.00 42.10 C ATOM 211 O GLU A 72 -2.029 3.462 -12.537 1.00 2.21 O ATOM 212 CB GLU A 72 -2.438 0.866 -14.423 1.00 21.42 C ATOM 213 CG GLU A 72 -2.543 0.582 -15.912 1.00 22.01 C ATOM 214 CD GLU A 72 -2.931 1.809 -16.714 1.00 2.24 C ATOM 215 OE1 GLU A 72 -3.942 2.452 -16.363 1.00 53.04 O ATOM 216 OE2 GLU A 72 -2.222 2.127 -17.692 1.00 22.44 O ATOM 0 H GLU A 72 -0.132 -0.002 -14.119 1.00 24.34 H new ATOM 0 HA GLU A 72 -1.186 2.578 -14.776 1.00 73.40 H new ATOM 0 HB2 GLU A 72 -2.346 -0.079 -13.887 1.00 21.42 H new ATOM 0 HB3 GLU A 72 -3.362 1.336 -14.085 1.00 21.42 H new ATOM 0 HG2 GLU A 72 -1.587 0.203 -16.274 1.00 22.01 H new ATOM 0 HG3 GLU A 72 -3.280 -0.204 -16.077 1.00 22.01 H new ATOM 223 N MET A 73 -1.047 1.648 -11.639 1.00 3.24 N ATOM 224 CA MET A 73 -1.197 2.112 -10.264 1.00 40.43 C ATOM 225 C MET A 73 -0.278 3.298 -9.987 1.00 63.33 C ATOM 226 O MET A 73 -0.595 4.165 -9.173 1.00 11.44 O ATOM 227 CB MET A 73 -0.895 0.977 -9.284 1.00 44.41 C ATOM 228 CG MET A 73 -1.794 -0.235 -9.462 1.00 65.34 C ATOM 229 SD MET A 73 -3.546 0.187 -9.424 1.00 1.41 S ATOM 230 CE MET A 73 -3.991 -0.057 -11.142 1.00 0.25 C ATOM 0 H MET A 73 -0.590 0.741 -11.731 1.00 3.24 H new ATOM 0 HA MET A 73 -2.229 2.435 -10.127 1.00 40.43 H new ATOM 0 HB2 MET A 73 0.144 0.670 -9.406 1.00 44.41 H new ATOM 0 HB3 MET A 73 -1.000 1.350 -8.265 1.00 44.41 H new ATOM 0 HG2 MET A 73 -1.561 -0.719 -10.411 1.00 65.34 H new ATOM 0 HG3 MET A 73 -1.582 -0.959 -8.675 1.00 65.34 H new ATOM 0 HE1 MET A 73 -5.076 -0.115 -11.232 1.00 0.25 H new ATOM 0 HE2 MET A 73 -3.622 0.779 -11.736 1.00 0.25 H new ATOM 0 HE3 MET A 73 -3.546 -0.984 -11.505 1.00 0.25 H new ATOM 240 N LEU A 74 0.862 3.328 -10.669 1.00 1.51 N ATOM 241 CA LEU A 74 1.828 4.408 -10.496 1.00 21.11 C ATOM 242 C LEU A 74 1.509 5.578 -11.422 1.00 24.54 C ATOM 243 O LEU A 74 1.613 6.739 -11.028 1.00 43.45 O ATOM 244 CB LEU A 74 3.245 3.899 -10.767 1.00 51.24 C ATOM 245 CG LEU A 74 3.599 2.541 -10.160 1.00 15.32 C ATOM 246 CD1 LEU A 74 4.795 1.932 -10.874 1.00 72.12 C ATOM 247 CD2 LEU A 74 3.878 2.680 -8.670 1.00 44.14 C ATOM 0 H LEU A 74 1.140 2.618 -11.346 1.00 1.51 H new ATOM 0 HA LEU A 74 1.765 4.757 -9.465 1.00 21.11 H new ATOM 0 HB2 LEU A 74 3.388 3.840 -11.846 1.00 51.24 H new ATOM 0 HB3 LEU A 74 3.953 4.638 -10.391 1.00 51.24 H new ATOM 0 HG LEU A 74 2.747 1.873 -10.289 1.00 15.32 H new ATOM 0 HD11 LEU A 74 5.032 0.966 -10.428 1.00 72.12 H new ATOM 0 HD12 LEU A 74 4.558 1.796 -11.929 1.00 72.12 H new ATOM 0 HD13 LEU A 74 5.654 2.597 -10.777 1.00 72.12 H new ATOM 0 HD21 LEU A 74 4.128 1.704 -8.254 1.00 44.14 H new ATOM 0 HD22 LEU A 74 4.713 3.364 -8.518 1.00 44.14 H new ATOM 0 HD23 LEU A 74 2.993 3.072 -8.169 1.00 44.14 H new ATOM 259 N SER A 75 1.119 5.262 -12.652 1.00 51.13 N ATOM 260 CA SER A 75 0.786 6.287 -13.635 1.00 20.11 C ATOM 261 C SER A 75 -0.380 7.144 -13.152 1.00 73.23 C ATOM 262 O SER A 75 -0.313 8.373 -13.172 1.00 53.01 O ATOM 263 CB SER A 75 0.438 5.642 -14.978 1.00 24.11 C ATOM 264 OG SER A 75 0.279 6.623 -15.988 1.00 70.55 O ATOM 0 H SER A 75 1.026 4.305 -12.992 1.00 51.13 H new ATOM 0 HA SER A 75 1.657 6.929 -13.764 1.00 20.11 H new ATOM 0 HB2 SER A 75 1.225 4.944 -15.265 1.00 24.11 H new ATOM 0 HB3 SER A 75 -0.481 5.064 -14.880 1.00 24.11 H new ATOM 0 HG SER A 75 0.059 6.186 -16.837 1.00 70.55 H new ATOM 270 N LYS A 76 -1.450 6.486 -12.719 1.00 30.43 N ATOM 271 CA LYS A 76 -2.632 7.184 -12.229 1.00 55.32 C ATOM 272 C LYS A 76 -2.251 8.246 -11.203 1.00 10.14 C ATOM 273 O LYS A 76 -2.914 9.276 -11.087 1.00 52.31 O ATOM 274 CB LYS A 76 -3.617 6.190 -11.609 1.00 11.51 C ATOM 275 CG LYS A 76 -3.076 5.487 -10.377 1.00 22.34 C ATOM 276 CD LYS A 76 -4.197 5.001 -9.474 1.00 75.20 C ATOM 277 CE LYS A 76 -4.551 3.549 -9.757 1.00 20.33 C ATOM 278 NZ LYS A 76 -6.004 3.284 -9.566 1.00 0.33 N ATOM 0 H LYS A 76 -1.523 5.469 -12.698 1.00 30.43 H new ATOM 0 HA LYS A 76 -3.109 7.677 -13.076 1.00 55.32 H new ATOM 0 HB2 LYS A 76 -4.533 6.717 -11.343 1.00 11.51 H new ATOM 0 HB3 LYS A 76 -3.884 5.442 -12.356 1.00 11.51 H new ATOM 0 HG2 LYS A 76 -2.460 4.641 -10.681 1.00 22.34 H new ATOM 0 HG3 LYS A 76 -2.431 6.168 -9.823 1.00 22.34 H new ATOM 0 HD2 LYS A 76 -3.898 5.107 -8.431 1.00 75.20 H new ATOM 0 HD3 LYS A 76 -5.078 5.626 -9.618 1.00 75.20 H new ATOM 0 HE2 LYS A 76 -4.268 3.299 -10.779 1.00 20.33 H new ATOM 0 HE3 LYS A 76 -3.974 2.900 -9.099 1.00 20.33 H new ATOM 0 HZ1 LYS A 76 -6.204 2.284 -9.769 1.00 0.33 H new ATOM 0 HZ2 LYS A 76 -6.270 3.498 -8.584 1.00 0.33 H new ATOM 0 HZ3 LYS A 76 -6.554 3.885 -10.212 1.00 0.33 H new ATOM 292 N GLN A 77 -1.179 7.988 -10.461 1.00 65.33 N ATOM 293 CA GLN A 77 -0.709 8.922 -9.445 1.00 55.54 C ATOM 294 C GLN A 77 -0.361 10.271 -10.066 1.00 13.40 C ATOM 295 O GLN A 77 -0.360 10.422 -11.288 1.00 31.41 O ATOM 296 CB GLN A 77 0.510 8.351 -8.721 1.00 4.13 C ATOM 297 CG GLN A 77 0.253 7.003 -8.066 1.00 43.25 C ATOM 298 CD GLN A 77 -0.617 7.111 -6.830 1.00 5.24 C ATOM 299 OE1 GLN A 77 -0.578 8.113 -6.115 1.00 4.12 O ATOM 300 NE2 GLN A 77 -1.408 6.077 -6.570 1.00 53.32 N ATOM 0 H GLN A 77 -0.619 7.139 -10.545 1.00 65.33 H new ATOM 0 HA GLN A 77 -1.513 9.070 -8.724 1.00 55.54 H new ATOM 0 HB2 GLN A 77 1.330 8.250 -9.432 1.00 4.13 H new ATOM 0 HB3 GLN A 77 0.835 9.060 -7.959 1.00 4.13 H new ATOM 0 HG2 GLN A 77 -0.226 6.339 -8.786 1.00 43.25 H new ATOM 0 HG3 GLN A 77 1.206 6.547 -7.796 1.00 43.25 H new ATOM 0 HE21 GLN A 77 -1.408 5.267 -7.190 1.00 53.32 H new ATOM 0 HE22 GLN A 77 -2.015 6.093 -5.751 1.00 53.32 H new ATOM 309 N ARG A 78 -0.067 11.250 -9.216 1.00 62.22 N ATOM 310 CA ARG A 78 0.281 12.587 -9.681 1.00 64.15 C ATOM 311 C ARG A 78 1.703 12.955 -9.265 1.00 35.42 C ATOM 312 O ARG A 78 2.374 13.739 -9.935 1.00 40.44 O ATOM 313 CB ARG A 78 -0.706 13.616 -9.128 1.00 71.11 C ATOM 314 CG ARG A 78 -2.148 13.134 -9.120 1.00 65.21 C ATOM 315 CD ARG A 78 -2.681 12.949 -10.532 1.00 50.21 C ATOM 316 NE ARG A 78 -4.013 13.527 -10.694 1.00 64.20 N ATOM 317 CZ ARG A 78 -4.776 13.325 -11.762 1.00 34.32 C ATOM 318 NH1 ARG A 78 -4.343 12.563 -12.757 1.00 21.14 N ATOM 319 NH2 ARG A 78 -5.977 13.885 -11.836 1.00 31.22 N ATOM 0 H ARG A 78 -0.063 11.142 -8.202 1.00 62.22 H new ATOM 0 HA ARG A 78 0.227 12.591 -10.770 1.00 64.15 H new ATOM 0 HB2 ARG A 78 -0.414 13.877 -8.111 1.00 71.11 H new ATOM 0 HB3 ARG A 78 -0.640 14.527 -9.723 1.00 71.11 H new ATOM 0 HG2 ARG A 78 -2.214 12.190 -8.578 1.00 65.21 H new ATOM 0 HG3 ARG A 78 -2.770 13.853 -8.586 1.00 65.21 H new ATOM 0 HD2 ARG A 78 -1.996 13.412 -11.242 1.00 50.21 H new ATOM 0 HD3 ARG A 78 -2.716 11.886 -10.770 1.00 50.21 H new ATOM 0 HE ARG A 78 -4.377 14.118 -9.946 1.00 64.20 H new ATOM 0 HH11 ARG A 78 -3.421 12.130 -12.704 1.00 21.14 H new ATOM 0 HH12 ARG A 78 -4.932 12.410 -13.576 1.00 21.14 H new ATOM 0 HH21 ARG A 78 -6.314 14.471 -11.072 1.00 31.22 H new ATOM 0 HH22 ARG A 78 -6.563 13.729 -12.657 1.00 31.22 H new ATOM 333 N HIS A 79 2.155 12.383 -8.153 1.00 75.32 N ATOM 334 CA HIS A 79 3.496 12.650 -7.647 1.00 0.21 C ATOM 335 C HIS A 79 4.552 12.000 -8.536 1.00 31.44 C ATOM 336 O HIS A 79 4.227 11.363 -9.538 1.00 32.22 O ATOM 337 CB HIS A 79 3.634 12.138 -6.213 1.00 1.43 C ATOM 338 CG HIS A 79 2.326 12.008 -5.495 1.00 2.23 C ATOM 339 ND1 HIS A 79 1.212 12.776 -5.538 1.00 22.51 N flip ATOM 340 CD2 HIS A 79 2.054 10.991 -4.605 1.00 4.13 C flip ATOM 341 CE1 HIS A 79 0.297 12.214 -4.683 1.00 1.10 C flip ATOM 342 NE2 HIS A 79 0.829 11.137 -4.133 1.00 33.42 N flip ATOM 0 H HIS A 79 1.612 11.732 -7.586 1.00 75.32 H new ATOM 0 HA HIS A 79 3.653 13.729 -7.656 1.00 0.21 H new ATOM 0 HB2 HIS A 79 4.129 11.167 -6.229 1.00 1.43 H new ATOM 0 HB3 HIS A 79 4.280 12.816 -5.655 1.00 1.43 H new ATOM 0 HD2 HIS A 79 2.736 10.198 -4.336 1.00 4.13 H new ATOM 0 HE1 HIS A 79 -0.697 12.591 -4.491 1.00 1.10 H new ATOM 0 HE2 HIS A 79 0.372 10.523 -3.459 1.00 33.42 H new ATOM 350 N ASP A 80 5.816 12.165 -8.162 1.00 51.11 N ATOM 351 CA ASP A 80 6.920 11.594 -8.925 1.00 73.20 C ATOM 352 C ASP A 80 7.764 10.671 -8.052 1.00 34.34 C ATOM 353 O ASP A 80 8.436 11.120 -7.125 1.00 22.02 O ATOM 354 CB ASP A 80 7.794 12.705 -9.508 1.00 1.24 C ATOM 355 CG ASP A 80 6.992 13.714 -10.307 1.00 24.15 C ATOM 356 OD1 ASP A 80 6.620 13.399 -11.456 1.00 32.42 O ATOM 357 OD2 ASP A 80 6.738 14.819 -9.783 1.00 3.02 O ATOM 0 H ASP A 80 6.102 12.689 -7.335 1.00 51.11 H new ATOM 0 HA ASP A 80 6.499 11.007 -9.742 1.00 73.20 H new ATOM 0 HB2 ASP A 80 8.313 13.217 -8.698 1.00 1.24 H new ATOM 0 HB3 ASP A 80 8.558 12.264 -10.148 1.00 1.24 H new ATOM 362 N GLY A 81 7.722 9.376 -8.354 1.00 13.51 N ATOM 363 CA GLY A 81 8.486 8.410 -7.586 1.00 53.34 C ATOM 364 C GLY A 81 7.603 7.387 -6.900 1.00 61.33 C ATOM 365 O GLY A 81 8.014 6.756 -5.927 1.00 11.24 O ATOM 0 H GLY A 81 7.173 8.979 -9.116 1.00 13.51 H new ATOM 0 HA2 GLY A 81 9.186 7.897 -8.246 1.00 53.34 H new ATOM 0 HA3 GLY A 81 9.080 8.934 -6.837 1.00 53.34 H new ATOM 369 N ALA A 82 6.386 7.222 -7.408 1.00 30.11 N ATOM 370 CA ALA A 82 5.443 6.268 -6.838 1.00 22.53 C ATOM 371 C ALA A 82 5.990 4.846 -6.910 1.00 73.25 C ATOM 372 O ALA A 82 6.466 4.406 -7.957 1.00 61.11 O ATOM 373 CB ALA A 82 4.104 6.357 -7.553 1.00 55.33 C ATOM 0 H ALA A 82 6.030 7.737 -8.213 1.00 30.11 H new ATOM 0 HA ALA A 82 5.298 6.521 -5.788 1.00 22.53 H new ATOM 0 HB1 ALA A 82 3.410 5.639 -7.116 1.00 55.33 H new ATOM 0 HB2 ALA A 82 3.700 7.364 -7.445 1.00 55.33 H new ATOM 0 HB3 ALA A 82 4.241 6.133 -8.611 1.00 55.33 H new ATOM 379 N PHE A 83 5.919 4.132 -5.792 1.00 75.51 N ATOM 380 CA PHE A 83 6.408 2.759 -5.729 1.00 10.31 C ATOM 381 C PHE A 83 5.280 1.796 -5.372 1.00 22.53 C ATOM 382 O PHE A 83 4.329 2.163 -4.681 1.00 2.44 O ATOM 383 CB PHE A 83 7.536 2.645 -4.702 1.00 25.30 C ATOM 384 CG PHE A 83 7.051 2.381 -3.305 1.00 43.41 C ATOM 385 CD1 PHE A 83 6.455 1.173 -2.981 1.00 3.32 C ATOM 386 CD2 PHE A 83 7.192 3.342 -2.316 1.00 72.42 C ATOM 387 CE1 PHE A 83 6.007 0.929 -1.696 1.00 64.14 C ATOM 388 CE2 PHE A 83 6.746 3.103 -1.030 1.00 21.32 C ATOM 389 CZ PHE A 83 6.154 1.894 -0.719 1.00 40.24 C ATOM 0 H PHE A 83 5.528 4.481 -4.917 1.00 75.51 H new ATOM 0 HA PHE A 83 6.793 2.490 -6.713 1.00 10.31 H new ATOM 0 HB2 PHE A 83 8.210 1.842 -5.002 1.00 25.30 H new ATOM 0 HB3 PHE A 83 8.117 3.567 -4.708 1.00 25.30 H new ATOM 0 HD1 PHE A 83 6.339 0.414 -3.740 1.00 3.32 H new ATOM 0 HD2 PHE A 83 7.656 4.288 -2.553 1.00 72.42 H new ATOM 0 HE1 PHE A 83 5.542 -0.016 -1.456 1.00 64.14 H new ATOM 0 HE2 PHE A 83 6.860 3.861 -0.269 1.00 21.32 H new ATOM 0 HZ PHE A 83 5.807 1.704 0.286 1.00 40.24 H new ATOM 399 N LEU A 84 5.393 0.560 -5.848 1.00 13.53 N ATOM 400 CA LEU A 84 4.383 -0.458 -5.580 1.00 11.32 C ATOM 401 C LEU A 84 5.002 -1.852 -5.577 1.00 5.52 C ATOM 402 O LEU A 84 5.518 -2.315 -6.595 1.00 15.41 O ATOM 403 CB LEU A 84 3.268 -0.385 -6.624 1.00 74.22 C ATOM 404 CG LEU A 84 2.402 -1.637 -6.770 1.00 31.14 C ATOM 405 CD1 LEU A 84 0.968 -1.258 -7.108 1.00 23.53 C ATOM 406 CD2 LEU A 84 2.976 -2.562 -7.833 1.00 20.01 C ATOM 0 H LEU A 84 6.173 0.239 -6.421 1.00 13.53 H new ATOM 0 HA LEU A 84 3.962 -0.266 -4.593 1.00 11.32 H new ATOM 0 HB2 LEU A 84 2.619 0.454 -6.375 1.00 74.22 H new ATOM 0 HB3 LEU A 84 3.718 -0.164 -7.592 1.00 74.22 H new ATOM 0 HG LEU A 84 2.401 -2.168 -5.818 1.00 31.14 H new ATOM 0 HD11 LEU A 84 0.367 -2.162 -7.208 1.00 23.53 H new ATOM 0 HD12 LEU A 84 0.559 -0.636 -6.312 1.00 23.53 H new ATOM 0 HD13 LEU A 84 0.950 -0.704 -8.047 1.00 23.53 H new ATOM 0 HD21 LEU A 84 2.347 -3.447 -7.923 1.00 20.01 H new ATOM 0 HD22 LEU A 84 3.008 -2.041 -8.790 1.00 20.01 H new ATOM 0 HD23 LEU A 84 3.985 -2.861 -7.549 1.00 20.01 H new ATOM 418 N ILE A 85 4.947 -2.516 -4.427 1.00 51.52 N ATOM 419 CA ILE A 85 5.500 -3.858 -4.293 1.00 54.44 C ATOM 420 C ILE A 85 4.445 -4.919 -4.588 1.00 15.51 C ATOM 421 O ILE A 85 3.336 -4.871 -4.055 1.00 11.23 O ATOM 422 CB ILE A 85 6.069 -4.094 -2.882 1.00 11.20 C ATOM 423 CG1 ILE A 85 7.143 -3.053 -2.561 1.00 4.00 C ATOM 424 CG2 ILE A 85 6.636 -5.501 -2.768 1.00 40.03 C ATOM 425 CD1 ILE A 85 7.762 -3.226 -1.191 1.00 52.43 C ATOM 0 H ILE A 85 4.525 -2.146 -3.575 1.00 51.52 H new ATOM 0 HA ILE A 85 6.308 -3.941 -5.020 1.00 54.44 H new ATOM 0 HB ILE A 85 5.261 -3.990 -2.158 1.00 11.20 H new ATOM 0 HG12 ILE A 85 7.928 -3.108 -3.315 1.00 4.00 H new ATOM 0 HG13 ILE A 85 6.705 -2.057 -2.630 1.00 4.00 H new ATOM 0 HG21 ILE A 85 7.034 -5.653 -1.765 1.00 40.03 H new ATOM 0 HG22 ILE A 85 5.846 -6.228 -2.959 1.00 40.03 H new ATOM 0 HG23 ILE A 85 7.434 -5.632 -3.499 1.00 40.03 H new ATOM 0 HD11 ILE A 85 8.515 -2.454 -1.032 1.00 52.43 H new ATOM 0 HD12 ILE A 85 6.988 -3.141 -0.429 1.00 52.43 H new ATOM 0 HD13 ILE A 85 8.230 -4.208 -1.125 1.00 52.43 H new ATOM 437 N ARG A 86 4.798 -5.876 -5.439 1.00 32.32 N ATOM 438 CA ARG A 86 3.882 -6.950 -5.804 1.00 14.01 C ATOM 439 C ARG A 86 4.476 -8.312 -5.459 1.00 71.54 C ATOM 440 O ARG A 86 5.695 -8.482 -5.442 1.00 14.45 O ATOM 441 CB ARG A 86 3.557 -6.886 -7.297 1.00 72.25 C ATOM 442 CG ARG A 86 4.788 -6.854 -8.188 1.00 23.32 C ATOM 443 CD ARG A 86 4.618 -5.877 -9.340 1.00 13.51 C ATOM 444 NE ARG A 86 5.898 -5.499 -9.931 1.00 44.43 N ATOM 445 CZ ARG A 86 6.518 -6.215 -10.862 1.00 71.34 C ATOM 446 NH1 ARG A 86 5.977 -7.341 -11.306 1.00 73.42 N ATOM 447 NH2 ARG A 86 7.681 -5.806 -11.352 1.00 41.41 N ATOM 0 H ARG A 86 5.712 -5.930 -5.889 1.00 32.32 H new ATOM 0 HA ARG A 86 2.963 -6.819 -5.233 1.00 14.01 H new ATOM 0 HB2 ARG A 86 2.948 -7.749 -7.565 1.00 72.25 H new ATOM 0 HB3 ARG A 86 2.955 -5.998 -7.491 1.00 72.25 H new ATOM 0 HG2 ARG A 86 5.659 -6.572 -7.596 1.00 23.32 H new ATOM 0 HG3 ARG A 86 4.979 -7.852 -8.582 1.00 23.32 H new ATOM 0 HD2 ARG A 86 3.984 -6.325 -10.105 1.00 13.51 H new ATOM 0 HD3 ARG A 86 4.105 -4.983 -8.985 1.00 13.51 H new ATOM 0 HE ARG A 86 6.341 -4.637 -9.611 1.00 44.43 H new ATOM 0 HH11 ARG A 86 5.083 -7.659 -10.933 1.00 73.42 H new ATOM 0 HH12 ARG A 86 6.455 -7.889 -12.021 1.00 73.42 H new ATOM 0 HH21 ARG A 86 8.101 -4.940 -11.014 1.00 41.41 H new ATOM 0 HH22 ARG A 86 8.155 -6.357 -12.067 1.00 41.41 H new ATOM 461 N GLU A 87 3.606 -9.280 -5.186 1.00 41.12 N ATOM 462 CA GLU A 87 4.046 -10.627 -4.841 1.00 11.41 C ATOM 463 C GLU A 87 3.722 -11.609 -5.963 1.00 20.13 C ATOM 464 O GLU A 87 2.767 -11.416 -6.715 1.00 31.11 O ATOM 465 CB GLU A 87 3.384 -11.085 -3.540 1.00 23.34 C ATOM 466 CG GLU A 87 3.906 -12.418 -3.028 1.00 51.44 C ATOM 467 CD GLU A 87 2.943 -13.093 -2.071 1.00 52.41 C ATOM 468 OE1 GLU A 87 2.166 -12.374 -1.407 1.00 63.21 O ATOM 469 OE2 GLU A 87 2.966 -14.338 -1.986 1.00 34.14 O ATOM 0 H GLU A 87 2.594 -9.157 -5.197 1.00 41.12 H new ATOM 0 HA GLU A 87 5.127 -10.605 -4.702 1.00 11.41 H new ATOM 0 HB2 GLU A 87 3.541 -10.325 -2.775 1.00 23.34 H new ATOM 0 HB3 GLU A 87 2.308 -11.162 -3.697 1.00 23.34 H new ATOM 0 HG2 GLU A 87 4.095 -13.079 -3.874 1.00 51.44 H new ATOM 0 HG3 GLU A 87 4.861 -12.261 -2.526 1.00 51.44 H new ATOM 476 N SER A 88 4.525 -12.663 -6.069 1.00 1.04 N ATOM 477 CA SER A 88 4.328 -13.674 -7.101 1.00 14.13 C ATOM 478 C SER A 88 3.030 -14.442 -6.868 1.00 12.50 C ATOM 479 O SER A 88 2.339 -14.225 -5.873 1.00 73.12 O ATOM 480 CB SER A 88 5.510 -14.645 -7.127 1.00 12.45 C ATOM 481 OG SER A 88 6.614 -14.085 -7.816 1.00 2.01 O ATOM 0 H SER A 88 5.318 -12.839 -5.453 1.00 1.04 H new ATOM 0 HA SER A 88 4.263 -13.167 -8.064 1.00 14.13 H new ATOM 0 HB2 SER A 88 5.802 -14.895 -6.107 1.00 12.45 H new ATOM 0 HB3 SER A 88 5.210 -15.575 -7.609 1.00 12.45 H new ATOM 0 HG SER A 88 7.136 -14.801 -8.234 1.00 2.01 H new ATOM 487 N GLU A 89 2.706 -15.339 -7.794 1.00 1.11 N ATOM 488 CA GLU A 89 1.491 -16.138 -7.690 1.00 71.22 C ATOM 489 C GLU A 89 1.795 -17.518 -7.115 1.00 21.53 C ATOM 490 O GLU A 89 1.012 -18.065 -6.337 1.00 44.15 O ATOM 491 CB GLU A 89 0.829 -16.280 -9.062 1.00 73.22 C ATOM 492 CG GLU A 89 1.616 -15.632 -10.188 1.00 42.42 C ATOM 493 CD GLU A 89 0.859 -15.625 -11.502 1.00 34.23 C ATOM 494 OE1 GLU A 89 0.259 -16.665 -11.846 1.00 53.34 O ATOM 495 OE2 GLU A 89 0.866 -14.580 -12.185 1.00 13.32 O ATOM 0 H GLU A 89 3.267 -15.530 -8.624 1.00 1.11 H new ATOM 0 HA GLU A 89 0.806 -15.625 -7.015 1.00 71.22 H new ATOM 0 HB2 GLU A 89 0.698 -17.339 -9.285 1.00 73.22 H new ATOM 0 HB3 GLU A 89 -0.166 -15.836 -9.024 1.00 73.22 H new ATOM 0 HG2 GLU A 89 1.863 -14.607 -9.910 1.00 42.42 H new ATOM 0 HG3 GLU A 89 2.559 -16.163 -10.319 1.00 42.42 H new ATOM 502 N SER A 90 2.937 -18.076 -7.503 1.00 63.51 N ATOM 503 CA SER A 90 3.344 -19.395 -7.030 1.00 53.40 C ATOM 504 C SER A 90 4.647 -19.311 -6.241 1.00 50.43 C ATOM 505 O SER A 90 5.141 -20.315 -5.730 1.00 3.34 O ATOM 506 CB SER A 90 3.509 -20.354 -8.210 1.00 22.42 C ATOM 507 OG SER A 90 2.378 -21.197 -8.345 1.00 13.25 O ATOM 0 H SER A 90 3.597 -17.636 -8.144 1.00 63.51 H new ATOM 0 HA SER A 90 2.564 -19.774 -6.370 1.00 53.40 H new ATOM 0 HB2 SER A 90 3.653 -19.784 -9.128 1.00 22.42 H new ATOM 0 HB3 SER A 90 4.403 -20.960 -8.067 1.00 22.42 H new ATOM 0 HG SER A 90 2.508 -21.799 -9.107 1.00 13.25 H new ATOM 513 N ALA A 91 5.198 -18.105 -6.148 1.00 1.11 N ATOM 514 CA ALA A 91 6.442 -17.888 -5.420 1.00 64.05 C ATOM 515 C ALA A 91 6.193 -17.131 -4.120 1.00 65.13 C ATOM 516 O ALA A 91 6.298 -15.906 -4.057 1.00 54.14 O ATOM 517 CB ALA A 91 7.438 -17.134 -6.290 1.00 74.11 C ATOM 0 H ALA A 91 4.802 -17.264 -6.568 1.00 1.11 H new ATOM 0 HA ALA A 91 6.861 -18.862 -5.168 1.00 64.05 H new ATOM 0 HB1 ALA A 91 8.362 -16.979 -5.734 1.00 74.11 H new ATOM 0 HB2 ALA A 91 7.648 -17.714 -7.189 1.00 74.11 H new ATOM 0 HB3 ALA A 91 7.017 -16.169 -6.571 1.00 74.11 H new ATOM 523 N PRO A 92 5.856 -17.875 -3.057 1.00 31.43 N ATOM 524 CA PRO A 92 5.585 -17.295 -1.738 1.00 51.22 C ATOM 525 C PRO A 92 6.844 -16.745 -1.077 1.00 21.11 C ATOM 526 O PRO A 92 7.789 -17.485 -0.806 1.00 74.51 O ATOM 527 CB PRO A 92 5.032 -18.476 -0.937 1.00 65.51 C ATOM 528 CG PRO A 92 5.603 -19.683 -1.599 1.00 44.21 C ATOM 529 CD PRO A 92 5.713 -19.341 -3.059 1.00 43.03 C ATOM 0 HA PRO A 92 4.903 -16.447 -1.798 1.00 51.22 H new ATOM 0 HB2 PRO A 92 5.331 -18.419 0.110 1.00 65.51 H new ATOM 0 HB3 PRO A 92 3.942 -18.492 -0.956 1.00 65.51 H new ATOM 0 HG2 PRO A 92 6.579 -19.932 -1.182 1.00 44.21 H new ATOM 0 HG3 PRO A 92 4.961 -20.551 -1.449 1.00 44.21 H new ATOM 0 HD2 PRO A 92 6.571 -19.828 -3.522 1.00 43.03 H new ATOM 0 HD3 PRO A 92 4.830 -19.658 -3.613 1.00 43.03 H new ATOM 537 N GLY A 93 6.850 -15.441 -0.819 1.00 5.32 N ATOM 538 CA GLY A 93 7.999 -14.814 -0.191 1.00 21.43 C ATOM 539 C GLY A 93 8.737 -13.882 -1.131 1.00 1.03 C ATOM 540 O GLY A 93 9.561 -13.076 -0.697 1.00 34.23 O ATOM 0 H GLY A 93 6.080 -14.807 -1.033 1.00 5.32 H new ATOM 0 HA2 GLY A 93 7.670 -14.255 0.685 1.00 21.43 H new ATOM 0 HA3 GLY A 93 8.683 -15.586 0.161 1.00 21.43 H new ATOM 544 N ASP A 94 8.444 -13.992 -2.422 1.00 15.14 N ATOM 545 CA ASP A 94 9.086 -13.152 -3.426 1.00 71.20 C ATOM 546 C ASP A 94 8.441 -11.770 -3.472 1.00 25.24 C ATOM 547 O ASP A 94 7.217 -11.645 -3.503 1.00 60.41 O ATOM 548 CB ASP A 94 9.003 -13.813 -4.803 1.00 11.01 C ATOM 549 CG ASP A 94 10.335 -13.814 -5.526 1.00 4.11 C ATOM 550 OD1 ASP A 94 10.727 -12.750 -6.050 1.00 24.02 O ATOM 551 OD2 ASP A 94 10.987 -14.878 -5.567 1.00 32.40 O ATOM 0 H ASP A 94 7.766 -14.655 -2.798 1.00 15.14 H new ATOM 0 HA ASP A 94 10.134 -13.035 -3.150 1.00 71.20 H new ATOM 0 HB2 ASP A 94 8.654 -14.839 -4.690 1.00 11.01 H new ATOM 0 HB3 ASP A 94 8.264 -13.290 -5.410 1.00 11.01 H new ATOM 556 N PHE A 95 9.274 -10.734 -3.474 1.00 21.51 N ATOM 557 CA PHE A 95 8.786 -9.361 -3.513 1.00 73.04 C ATOM 558 C PHE A 95 9.464 -8.575 -4.631 1.00 52.45 C ATOM 559 O PHE A 95 10.647 -8.767 -4.911 1.00 1.12 O ATOM 560 CB PHE A 95 9.030 -8.672 -2.169 1.00 54.33 C ATOM 561 CG PHE A 95 8.156 -9.190 -1.063 1.00 2.23 C ATOM 562 CD1 PHE A 95 6.835 -8.787 -0.959 1.00 34.00 C ATOM 563 CD2 PHE A 95 8.657 -10.079 -0.126 1.00 20.42 C ATOM 564 CE1 PHE A 95 6.028 -9.262 0.058 1.00 71.21 C ATOM 565 CE2 PHE A 95 7.855 -10.558 0.893 1.00 61.21 C ATOM 566 CZ PHE A 95 6.539 -10.148 0.986 1.00 64.23 C ATOM 0 H PHE A 95 10.290 -10.820 -3.449 1.00 21.51 H new ATOM 0 HA PHE A 95 7.714 -9.388 -3.710 1.00 73.04 H new ATOM 0 HB2 PHE A 95 10.075 -8.803 -1.887 1.00 54.33 H new ATOM 0 HB3 PHE A 95 8.862 -7.601 -2.283 1.00 54.33 H new ATOM 0 HD1 PHE A 95 6.430 -8.093 -1.681 1.00 34.00 H new ATOM 0 HD2 PHE A 95 9.686 -10.401 -0.192 1.00 20.42 H new ATOM 0 HE1 PHE A 95 4.999 -8.941 0.127 1.00 71.21 H new ATOM 0 HE2 PHE A 95 8.257 -11.252 1.616 1.00 61.21 H new ATOM 0 HZ PHE A 95 5.911 -10.519 1.783 1.00 64.23 H new ATOM 576 N SER A 96 8.705 -7.689 -5.268 1.00 54.42 N ATOM 577 CA SER A 96 9.230 -6.876 -6.359 1.00 12.41 C ATOM 578 C SER A 96 8.671 -5.457 -6.297 1.00 24.21 C ATOM 579 O SER A 96 7.459 -5.251 -6.360 1.00 74.54 O ATOM 580 CB SER A 96 8.888 -7.512 -7.708 1.00 2.14 C ATOM 581 OG SER A 96 8.583 -6.523 -8.675 1.00 53.23 O ATOM 0 H SER A 96 7.724 -7.516 -5.047 1.00 54.42 H new ATOM 0 HA SER A 96 10.314 -6.826 -6.253 1.00 12.41 H new ATOM 0 HB2 SER A 96 9.728 -8.115 -8.053 1.00 2.14 H new ATOM 0 HB3 SER A 96 8.039 -8.185 -7.591 1.00 2.14 H new ATOM 0 HG SER A 96 9.212 -6.592 -9.423 1.00 53.23 H new ATOM 587 N LEU A 97 9.564 -4.482 -6.172 1.00 44.33 N ATOM 588 CA LEU A 97 9.163 -3.081 -6.101 1.00 73.15 C ATOM 589 C LEU A 97 9.097 -2.462 -7.494 1.00 73.42 C ATOM 590 O LEU A 97 10.010 -2.630 -8.303 1.00 35.43 O ATOM 591 CB LEU A 97 10.140 -2.293 -5.227 1.00 34.42 C ATOM 592 CG LEU A 97 9.867 -0.794 -5.099 1.00 21.34 C ATOM 593 CD1 LEU A 97 10.220 -0.075 -6.391 1.00 74.13 C ATOM 594 CD2 LEU A 97 8.412 -0.547 -4.728 1.00 1.41 C ATOM 0 H LEU A 97 10.571 -4.635 -6.118 1.00 44.33 H new ATOM 0 HA LEU A 97 8.169 -3.036 -5.655 1.00 73.15 H new ATOM 0 HB2 LEU A 97 10.136 -2.729 -4.228 1.00 34.42 H new ATOM 0 HB3 LEU A 97 11.144 -2.426 -5.629 1.00 34.42 H new ATOM 0 HG LEU A 97 10.496 -0.396 -4.303 1.00 21.34 H new ATOM 0 HD11 LEU A 97 10.019 0.991 -6.281 1.00 74.13 H new ATOM 0 HD12 LEU A 97 11.277 -0.224 -6.613 1.00 74.13 H new ATOM 0 HD13 LEU A 97 9.618 -0.475 -7.206 1.00 74.13 H new ATOM 0 HD21 LEU A 97 8.236 0.525 -4.641 1.00 1.41 H new ATOM 0 HD22 LEU A 97 7.764 -0.960 -5.501 1.00 1.41 H new ATOM 0 HD23 LEU A 97 8.193 -1.029 -3.775 1.00 1.41 H new ATOM 606 N SER A 98 8.012 -1.745 -7.766 1.00 54.45 N ATOM 607 CA SER A 98 7.826 -1.102 -9.062 1.00 53.30 C ATOM 608 C SER A 98 7.702 0.411 -8.905 1.00 61.22 C ATOM 609 O SER A 98 6.718 0.912 -8.362 1.00 34.13 O ATOM 610 CB SER A 98 6.581 -1.657 -9.757 1.00 30.22 C ATOM 611 OG SER A 98 5.481 -0.775 -9.614 1.00 71.40 O ATOM 0 H SER A 98 7.248 -1.594 -7.107 1.00 54.45 H new ATOM 0 HA SER A 98 8.702 -1.316 -9.675 1.00 53.30 H new ATOM 0 HB2 SER A 98 6.791 -1.813 -10.815 1.00 30.22 H new ATOM 0 HB3 SER A 98 6.328 -2.630 -9.335 1.00 30.22 H new ATOM 0 HG SER A 98 5.531 -0.328 -8.743 1.00 71.40 H new ATOM 617 N VAL A 99 8.709 1.134 -9.385 1.00 61.54 N ATOM 618 CA VAL A 99 8.714 2.589 -9.300 1.00 43.03 C ATOM 619 C VAL A 99 8.540 3.221 -10.677 1.00 31.42 C ATOM 620 O VAL A 99 8.912 2.634 -11.693 1.00 45.23 O ATOM 621 CB VAL A 99 10.020 3.110 -8.670 1.00 72.23 C ATOM 622 CG1 VAL A 99 10.543 4.311 -9.442 1.00 42.33 C ATOM 623 CG2 VAL A 99 9.802 3.460 -7.206 1.00 54.22 C ATOM 0 H VAL A 99 9.532 0.735 -9.837 1.00 61.54 H new ATOM 0 HA VAL A 99 7.874 2.872 -8.665 1.00 43.03 H new ATOM 0 HB VAL A 99 10.769 2.320 -8.723 1.00 72.23 H new ATOM 0 HG11 VAL A 99 11.466 4.665 -8.982 1.00 42.33 H new ATOM 0 HG12 VAL A 99 10.739 4.022 -10.475 1.00 42.33 H new ATOM 0 HG13 VAL A 99 9.799 5.108 -9.423 1.00 42.33 H new ATOM 0 HG21 VAL A 99 10.735 3.826 -6.777 1.00 54.22 H new ATOM 0 HG22 VAL A 99 9.038 4.233 -7.127 1.00 54.22 H new ATOM 0 HG23 VAL A 99 9.477 2.572 -6.664 1.00 54.22 H new ATOM 633 N LYS A 100 7.971 4.421 -10.703 1.00 41.20 N ATOM 634 CA LYS A 100 7.748 5.135 -11.954 1.00 50.54 C ATOM 635 C LYS A 100 8.764 6.260 -12.128 1.00 24.41 C ATOM 636 O LYS A 100 8.987 7.055 -11.215 1.00 23.22 O ATOM 637 CB LYS A 100 6.329 5.706 -11.994 1.00 14.45 C ATOM 638 CG LYS A 100 5.939 6.274 -13.347 1.00 54.41 C ATOM 639 CD LYS A 100 4.453 6.105 -13.616 1.00 33.12 C ATOM 640 CE LYS A 100 4.177 5.865 -15.092 1.00 61.33 C ATOM 641 NZ LYS A 100 3.569 7.058 -15.744 1.00 63.53 N ATOM 0 H LYS A 100 7.656 4.920 -9.871 1.00 41.20 H new ATOM 0 HA LYS A 100 7.872 4.427 -12.773 1.00 50.54 H new ATOM 0 HB2 LYS A 100 5.623 4.921 -11.722 1.00 14.45 H new ATOM 0 HB3 LYS A 100 6.241 6.490 -11.241 1.00 14.45 H new ATOM 0 HG2 LYS A 100 6.199 7.332 -13.387 1.00 54.41 H new ATOM 0 HG3 LYS A 100 6.510 5.776 -14.130 1.00 54.41 H new ATOM 0 HD2 LYS A 100 4.070 5.268 -13.032 1.00 33.12 H new ATOM 0 HD3 LYS A 100 3.919 6.996 -13.285 1.00 33.12 H new ATOM 0 HE2 LYS A 100 5.108 5.609 -15.599 1.00 61.33 H new ATOM 0 HE3 LYS A 100 3.509 5.011 -15.202 1.00 61.33 H new ATOM 0 HZ1 LYS A 100 2.563 6.875 -15.933 1.00 63.53 H new ATOM 0 HZ2 LYS A 100 3.659 7.881 -15.115 1.00 63.53 H new ATOM 0 HZ3 LYS A 100 4.060 7.252 -16.640 1.00 63.53 H new ATOM 655 N PHE A 101 9.377 6.321 -13.306 1.00 20.44 N ATOM 656 CA PHE A 101 10.369 7.348 -13.599 1.00 4.13 C ATOM 657 C PHE A 101 10.052 8.051 -14.915 1.00 52.21 C ATOM 658 O PHE A 101 10.483 7.618 -15.983 1.00 4.32 O ATOM 659 CB PHE A 101 11.769 6.732 -13.661 1.00 52.41 C ATOM 660 CG PHE A 101 12.323 6.367 -12.314 1.00 24.30 C ATOM 661 CD1 PHE A 101 12.423 7.316 -11.310 1.00 14.31 C ATOM 662 CD2 PHE A 101 12.746 5.073 -12.052 1.00 41.40 C ATOM 663 CE1 PHE A 101 12.932 6.983 -10.069 1.00 2.00 C ATOM 664 CE2 PHE A 101 13.256 4.734 -10.813 1.00 50.20 C ATOM 665 CZ PHE A 101 13.350 5.690 -9.821 1.00 3.43 C ATOM 0 H PHE A 101 9.204 5.671 -14.073 1.00 20.44 H new ATOM 0 HA PHE A 101 10.339 8.086 -12.797 1.00 4.13 H new ATOM 0 HB2 PHE A 101 11.737 5.840 -14.286 1.00 52.41 H new ATOM 0 HB3 PHE A 101 12.446 7.436 -14.145 1.00 52.41 H new ATOM 0 HD1 PHE A 101 12.099 8.329 -11.499 1.00 14.31 H new ATOM 0 HD2 PHE A 101 12.676 4.322 -12.825 1.00 41.40 H new ATOM 0 HE1 PHE A 101 13.003 7.732 -9.295 1.00 2.00 H new ATOM 0 HE2 PHE A 101 13.581 3.722 -10.621 1.00 50.20 H new ATOM 0 HZ PHE A 101 13.750 5.427 -8.853 1.00 3.43 H new ATOM 675 N GLY A 102 9.293 9.140 -14.830 1.00 34.41 N ATOM 676 CA GLY A 102 8.929 9.885 -16.020 1.00 53.44 C ATOM 677 C GLY A 102 7.981 9.116 -16.919 1.00 50.33 C ATOM 678 O GLY A 102 6.838 8.855 -16.548 1.00 14.10 O ATOM 0 H GLY A 102 8.924 9.519 -13.958 1.00 34.41 H new ATOM 0 HA2 GLY A 102 8.464 10.826 -15.727 1.00 53.44 H new ATOM 0 HA3 GLY A 102 9.831 10.135 -16.578 1.00 53.44 H new ATOM 682 N ASN A 103 8.457 8.754 -18.106 1.00 53.03 N ATOM 683 CA ASN A 103 7.642 8.012 -19.062 1.00 45.21 C ATOM 684 C ASN A 103 8.096 6.558 -19.150 1.00 11.13 C ATOM 685 O ASN A 103 7.887 5.892 -20.164 1.00 44.21 O ATOM 686 CB ASN A 103 7.718 8.666 -20.443 1.00 72.24 C ATOM 687 CG ASN A 103 6.499 8.362 -21.294 1.00 5.11 C ATOM 688 OD1 ASN A 103 5.370 8.362 -20.803 1.00 44.42 O ATOM 689 ND2 ASN A 103 6.724 8.101 -22.576 1.00 73.34 N ATOM 0 H ASN A 103 9.402 8.962 -18.429 1.00 53.03 H new ATOM 0 HA ASN A 103 6.609 8.031 -18.714 1.00 45.21 H new ATOM 0 HB2 ASN A 103 7.816 9.745 -20.326 1.00 72.24 H new ATOM 0 HB3 ASN A 103 8.613 8.318 -20.958 1.00 72.24 H new ATOM 0 HD21 ASN A 103 5.944 7.889 -23.198 1.00 73.34 H new ATOM 0 HD22 ASN A 103 7.677 8.112 -22.939 1.00 73.34 H new ATOM 696 N ASP A 104 8.716 6.072 -18.080 1.00 41.12 N ATOM 697 CA ASP A 104 9.198 4.696 -18.035 1.00 12.41 C ATOM 698 C ASP A 104 9.074 4.124 -16.626 1.00 62.55 C ATOM 699 O ASP A 104 9.636 4.664 -15.674 1.00 12.14 O ATOM 700 CB ASP A 104 10.653 4.627 -18.501 1.00 52.42 C ATOM 701 CG ASP A 104 10.772 4.378 -19.992 1.00 31.12 C ATOM 702 OD1 ASP A 104 10.260 3.340 -20.463 1.00 1.51 O ATOM 703 OD2 ASP A 104 11.376 5.220 -20.687 1.00 42.55 O ATOM 0 H ASP A 104 8.897 6.610 -17.233 1.00 41.12 H new ATOM 0 HA ASP A 104 8.582 4.098 -18.707 1.00 12.41 H new ATOM 0 HB2 ASP A 104 11.157 5.561 -18.250 1.00 52.42 H new ATOM 0 HB3 ASP A 104 11.167 3.832 -17.961 1.00 52.42 H new ATOM 708 N VAL A 105 8.334 3.026 -16.502 1.00 44.12 N ATOM 709 CA VAL A 105 8.137 2.380 -15.210 1.00 72.44 C ATOM 710 C VAL A 105 9.212 1.330 -14.951 1.00 75.22 C ATOM 711 O VAL A 105 9.233 0.279 -15.591 1.00 40.03 O ATOM 712 CB VAL A 105 6.751 1.712 -15.123 1.00 3.52 C ATOM 713 CG1 VAL A 105 6.637 0.882 -13.853 1.00 45.33 C ATOM 714 CG2 VAL A 105 5.651 2.761 -15.185 1.00 32.14 C ATOM 0 H VAL A 105 7.862 2.566 -17.280 1.00 44.12 H new ATOM 0 HA VAL A 105 8.205 3.160 -14.452 1.00 72.44 H new ATOM 0 HB VAL A 105 6.634 1.044 -15.976 1.00 3.52 H new ATOM 0 HG11 VAL A 105 5.652 0.418 -13.809 1.00 45.33 H new ATOM 0 HG12 VAL A 105 7.403 0.107 -13.855 1.00 45.33 H new ATOM 0 HG13 VAL A 105 6.774 1.526 -12.984 1.00 45.33 H new ATOM 0 HG21 VAL A 105 4.679 2.273 -15.122 1.00 32.14 H new ATOM 0 HG22 VAL A 105 5.763 3.455 -14.352 1.00 32.14 H new ATOM 0 HG23 VAL A 105 5.722 3.308 -16.125 1.00 32.14 H new ATOM 724 N GLN A 106 10.101 1.622 -14.008 1.00 42.20 N ATOM 725 CA GLN A 106 11.179 0.703 -13.664 1.00 64.33 C ATOM 726 C GLN A 106 10.795 -0.166 -12.471 1.00 55.22 C ATOM 727 O GLN A 106 9.746 0.035 -11.857 1.00 24.45 O ATOM 728 CB GLN A 106 12.460 1.479 -13.353 1.00 62.11 C ATOM 729 CG GLN A 106 12.812 2.519 -14.404 1.00 53.42 C ATOM 730 CD GLN A 106 13.165 1.901 -15.742 1.00 71.24 C ATOM 731 OE1 GLN A 106 12.161 1.375 -16.435 1.00 41.13 O flip ATOM 732 NE2 GLN A 106 14.327 1.895 -16.149 1.00 45.23 N flip ATOM 0 H GLN A 106 10.096 2.488 -13.468 1.00 42.20 H new ATOM 0 HA GLN A 106 11.355 0.053 -14.521 1.00 64.33 H new ATOM 0 HB2 GLN A 106 12.350 1.973 -12.388 1.00 62.11 H new ATOM 0 HB3 GLN A 106 13.287 0.775 -13.259 1.00 62.11 H new ATOM 0 HG2 GLN A 106 11.970 3.199 -14.533 1.00 53.42 H new ATOM 0 HG3 GLN A 106 13.653 3.116 -14.051 1.00 53.42 H new ATOM 0 HE21 GLN A 106 15.067 2.310 -15.584 1.00 45.23 H new ATOM 0 HE22 GLN A 106 14.549 1.475 -17.051 1.00 45.23 H new ATOM 741 N HIS A 107 11.649 -1.132 -12.149 1.00 12.13 N ATOM 742 CA HIS A 107 11.398 -2.032 -11.028 1.00 50.43 C ATOM 743 C HIS A 107 12.709 -2.507 -10.410 1.00 30.43 C ATOM 744 O HIS A 107 13.786 -2.281 -10.962 1.00 10.14 O ATOM 745 CB HIS A 107 10.571 -3.233 -11.487 1.00 23.21 C ATOM 746 CG HIS A 107 10.872 -3.668 -12.888 1.00 43.53 C ATOM 747 ND1 HIS A 107 10.889 -2.969 -14.048 1.00 32.45 N flip ATOM 748 CD2 HIS A 107 11.204 -4.964 -13.220 1.00 13.15 C flip ATOM 749 CE1 HIS A 107 11.228 -3.847 -15.047 1.00 71.25 C flip ATOM 750 NE2 HIS A 107 11.413 -5.044 -14.521 1.00 54.15 N flip ATOM 0 H HIS A 107 12.520 -1.312 -12.648 1.00 12.13 H new ATOM 0 HA HIS A 107 10.838 -1.484 -10.271 1.00 50.43 H new ATOM 0 HB2 HIS A 107 10.751 -4.068 -10.810 1.00 23.21 H new ATOM 0 HB3 HIS A 107 9.512 -2.985 -11.412 1.00 23.21 H new ATOM 0 HD2 HIS A 107 11.281 -5.786 -12.524 1.00 13.15 H new ATOM 0 HE1 HIS A 107 11.327 -3.599 -16.093 1.00 71.25 H new ATOM 0 HE2 HIS A 107 11.673 -5.887 -15.033 1.00 54.15 H new ATOM 758 N PHE A 108 12.610 -3.167 -9.260 1.00 62.13 N ATOM 759 CA PHE A 108 13.788 -3.673 -8.566 1.00 22.24 C ATOM 760 C PHE A 108 13.488 -5.005 -7.885 1.00 73.50 C ATOM 761 O PHE A 108 12.571 -5.107 -7.070 1.00 14.22 O ATOM 762 CB PHE A 108 14.272 -2.656 -7.530 1.00 32.22 C ATOM 763 CG PHE A 108 14.543 -1.296 -8.106 1.00 62.14 C ATOM 764 CD1 PHE A 108 13.499 -0.479 -8.509 1.00 2.34 C ATOM 765 CD2 PHE A 108 15.842 -0.835 -8.247 1.00 23.32 C ATOM 766 CE1 PHE A 108 13.745 0.774 -9.039 1.00 64.43 C ATOM 767 CE2 PHE A 108 16.095 0.416 -8.776 1.00 54.23 C ATOM 768 CZ PHE A 108 15.045 1.221 -9.174 1.00 50.12 C ATOM 0 H PHE A 108 11.726 -3.363 -8.790 1.00 62.13 H new ATOM 0 HA PHE A 108 14.574 -3.831 -9.305 1.00 22.24 H new ATOM 0 HB2 PHE A 108 13.523 -2.566 -6.744 1.00 32.22 H new ATOM 0 HB3 PHE A 108 15.182 -3.031 -7.062 1.00 32.22 H new ATOM 0 HD1 PHE A 108 12.481 -0.825 -8.408 1.00 2.34 H new ATOM 0 HD2 PHE A 108 16.667 -1.461 -7.940 1.00 23.32 H new ATOM 0 HE1 PHE A 108 12.922 1.402 -9.347 1.00 64.43 H new ATOM 0 HE2 PHE A 108 17.112 0.764 -8.878 1.00 54.23 H new ATOM 0 HZ PHE A 108 15.240 2.198 -9.590 1.00 50.12 H new ATOM 778 N LYS A 109 14.267 -6.026 -8.226 1.00 72.23 N ATOM 779 CA LYS A 109 14.087 -7.353 -7.649 1.00 73.24 C ATOM 780 C LYS A 109 14.583 -7.392 -6.208 1.00 0.44 C ATOM 781 O LYS A 109 15.787 -7.348 -5.954 1.00 31.15 O ATOM 782 CB LYS A 109 14.829 -8.400 -8.484 1.00 1.44 C ATOM 783 CG LYS A 109 13.928 -9.174 -9.430 1.00 41.21 C ATOM 784 CD LYS A 109 13.726 -10.605 -8.962 1.00 32.05 C ATOM 785 CE LYS A 109 14.810 -11.526 -9.500 1.00 20.25 C ATOM 786 NZ LYS A 109 14.280 -12.468 -10.524 1.00 52.32 N ATOM 0 H LYS A 109 15.030 -5.960 -8.900 1.00 72.23 H new ATOM 0 HA LYS A 109 13.021 -7.582 -7.654 1.00 73.24 H new ATOM 0 HB2 LYS A 109 15.609 -7.905 -9.062 1.00 1.44 H new ATOM 0 HB3 LYS A 109 15.326 -9.101 -7.814 1.00 1.44 H new ATOM 0 HG2 LYS A 109 12.962 -8.675 -9.504 1.00 41.21 H new ATOM 0 HG3 LYS A 109 14.363 -9.175 -10.429 1.00 41.21 H new ATOM 0 HD2 LYS A 109 13.728 -10.636 -7.872 1.00 32.05 H new ATOM 0 HD3 LYS A 109 12.749 -10.961 -9.289 1.00 32.05 H new ATOM 0 HE2 LYS A 109 15.611 -10.929 -9.936 1.00 20.25 H new ATOM 0 HE3 LYS A 109 15.247 -12.092 -8.677 1.00 20.25 H new ATOM 0 HZ1 LYS A 109 15.050 -13.078 -10.866 1.00 52.32 H new ATOM 0 HZ2 LYS A 109 13.533 -13.056 -10.101 1.00 52.32 H new ATOM 0 HZ3 LYS A 109 13.886 -11.929 -11.321 1.00 52.32 H new ATOM 800 N VAL A 110 13.648 -7.475 -5.266 1.00 51.45 N ATOM 801 CA VAL A 110 13.991 -7.522 -3.850 1.00 52.31 C ATOM 802 C VAL A 110 14.688 -8.831 -3.497 1.00 15.24 C ATOM 803 O VAL A 110 14.214 -9.913 -3.846 1.00 44.04 O ATOM 804 CB VAL A 110 12.741 -7.363 -2.964 1.00 53.25 C ATOM 805 CG1 VAL A 110 13.071 -7.675 -1.513 1.00 61.30 C ATOM 806 CG2 VAL A 110 12.168 -5.960 -3.099 1.00 74.13 C ATOM 0 H VAL A 110 12.647 -7.511 -5.459 1.00 51.45 H new ATOM 0 HA VAL A 110 14.669 -6.690 -3.661 1.00 52.31 H new ATOM 0 HB VAL A 110 11.986 -8.074 -3.300 1.00 53.25 H new ATOM 0 HG11 VAL A 110 12.176 -7.557 -0.903 1.00 61.30 H new ATOM 0 HG12 VAL A 110 13.431 -8.701 -1.434 1.00 61.30 H new ATOM 0 HG13 VAL A 110 13.843 -6.991 -1.160 1.00 61.30 H new ATOM 0 HG21 VAL A 110 11.285 -5.865 -2.466 1.00 74.13 H new ATOM 0 HG22 VAL A 110 12.916 -5.230 -2.790 1.00 74.13 H new ATOM 0 HG23 VAL A 110 11.891 -5.778 -4.138 1.00 74.13 H new ATOM 816 N LEU A 111 15.814 -8.726 -2.801 1.00 2.43 N ATOM 817 CA LEU A 111 16.577 -9.902 -2.398 1.00 45.21 C ATOM 818 C LEU A 111 16.277 -10.277 -0.951 1.00 12.15 C ATOM 819 O LEU A 111 16.087 -9.407 -0.100 1.00 61.12 O ATOM 820 CB LEU A 111 18.076 -9.645 -2.570 1.00 33.12 C ATOM 821 CG LEU A 111 18.687 -10.098 -3.896 1.00 74.14 C ATOM 822 CD1 LEU A 111 18.390 -11.569 -4.146 1.00 52.42 C ATOM 823 CD2 LEU A 111 18.165 -9.245 -5.043 1.00 14.50 C ATOM 0 H LEU A 111 16.219 -7.838 -2.504 1.00 2.43 H new ATOM 0 HA LEU A 111 16.281 -10.733 -3.038 1.00 45.21 H new ATOM 0 HB2 LEU A 111 18.256 -8.576 -2.456 1.00 33.12 H new ATOM 0 HB3 LEU A 111 18.605 -10.146 -1.759 1.00 33.12 H new ATOM 0 HG LEU A 111 19.768 -9.971 -3.838 1.00 74.14 H new ATOM 0 HD11 LEU A 111 18.833 -11.874 -5.094 1.00 52.42 H new ATOM 0 HD12 LEU A 111 18.813 -12.168 -3.339 1.00 52.42 H new ATOM 0 HD13 LEU A 111 17.311 -11.721 -4.184 1.00 52.42 H new ATOM 0 HD21 LEU A 111 18.611 -9.582 -5.979 1.00 14.50 H new ATOM 0 HD22 LEU A 111 17.081 -9.340 -5.103 1.00 14.50 H new ATOM 0 HD23 LEU A 111 18.429 -8.202 -4.870 1.00 14.50 H new ATOM 835 N ARG A 112 16.237 -11.577 -0.678 1.00 1.14 N ATOM 836 CA ARG A 112 15.961 -12.067 0.667 1.00 33.14 C ATOM 837 C ARG A 112 16.846 -13.264 1.002 1.00 31.13 C ATOM 838 O ARG A 112 17.008 -14.175 0.190 1.00 24.14 O ATOM 839 CB ARG A 112 14.487 -12.456 0.799 1.00 62.45 C ATOM 840 CG ARG A 112 13.527 -11.339 0.428 1.00 55.54 C ATOM 841 CD ARG A 112 13.094 -11.435 -1.027 1.00 65.13 C ATOM 842 NE ARG A 112 12.395 -12.686 -1.309 1.00 12.24 N ATOM 843 CZ ARG A 112 12.989 -13.765 -1.805 1.00 25.03 C ATOM 844 NH1 ARG A 112 14.288 -13.747 -2.072 1.00 51.55 N ATOM 845 NH2 ARG A 112 12.285 -14.866 -2.034 1.00 21.04 N ATOM 0 H ARG A 112 16.392 -12.310 -1.370 1.00 1.14 H new ATOM 0 HA ARG A 112 16.182 -11.265 1.371 1.00 33.14 H new ATOM 0 HB2 ARG A 112 14.290 -13.319 0.164 1.00 62.45 H new ATOM 0 HB3 ARG A 112 14.292 -12.765 1.826 1.00 62.45 H new ATOM 0 HG2 ARG A 112 12.650 -11.383 1.073 1.00 55.54 H new ATOM 0 HG3 ARG A 112 14.004 -10.375 0.604 1.00 55.54 H new ATOM 0 HD2 ARG A 112 12.444 -10.594 -1.268 1.00 65.13 H new ATOM 0 HD3 ARG A 112 13.969 -11.356 -1.672 1.00 65.13 H new ATOM 0 HE ARG A 112 11.395 -12.733 -1.114 1.00 12.24 H new ATOM 0 HH11 ARG A 112 14.833 -12.903 -1.896 1.00 51.55 H new ATOM 0 HH12 ARG A 112 14.742 -14.577 -2.453 1.00 51.55 H new ATOM 0 HH21 ARG A 112 11.286 -14.884 -1.829 1.00 21.04 H new ATOM 0 HH22 ARG A 112 12.743 -15.694 -2.415 1.00 21.04 H new ATOM 859 N ASP A 113 17.416 -13.254 2.202 1.00 33.33 N ATOM 860 CA ASP A 113 18.284 -14.339 2.645 1.00 30.02 C ATOM 861 C ASP A 113 18.189 -14.528 4.156 1.00 63.51 C ATOM 862 O ASP A 113 17.538 -13.749 4.850 1.00 5.30 O ATOM 863 CB ASP A 113 19.733 -14.057 2.244 1.00 73.42 C ATOM 864 CG ASP A 113 20.046 -14.529 0.837 1.00 11.14 C ATOM 865 OD1 ASP A 113 19.736 -13.788 -0.119 1.00 30.31 O ATOM 866 OD2 ASP A 113 20.600 -15.639 0.693 1.00 41.21 O ATOM 0 H ASP A 113 17.293 -12.507 2.885 1.00 33.33 H new ATOM 0 HA ASP A 113 17.953 -15.258 2.160 1.00 30.02 H new ATOM 0 HB2 ASP A 113 19.925 -12.987 2.316 1.00 73.42 H new ATOM 0 HB3 ASP A 113 20.404 -14.550 2.947 1.00 73.42 H new ATOM 871 N GLY A 114 18.843 -15.571 4.659 1.00 61.52 N ATOM 872 CA GLY A 114 18.819 -15.845 6.084 1.00 72.43 C ATOM 873 C GLY A 114 17.528 -16.505 6.525 1.00 33.43 C ATOM 874 O GLY A 114 17.520 -17.675 6.909 1.00 3.54 O ATOM 0 H GLY A 114 19.389 -16.231 4.105 1.00 61.52 H new ATOM 0 HA2 GLY A 114 19.659 -16.490 6.341 1.00 72.43 H new ATOM 0 HA3 GLY A 114 18.953 -14.913 6.633 1.00 72.43 H new ATOM 878 N ALA A 115 16.433 -15.754 6.472 1.00 33.23 N ATOM 879 CA ALA A 115 15.130 -16.274 6.870 1.00 40.43 C ATOM 880 C ALA A 115 14.002 -15.419 6.302 1.00 72.34 C ATOM 881 O ALA A 115 13.094 -15.929 5.645 1.00 5.33 O ATOM 882 CB ALA A 115 15.030 -16.343 8.386 1.00 12.03 C ATOM 0 H ALA A 115 16.422 -14.784 6.157 1.00 33.23 H new ATOM 0 HA ALA A 115 15.028 -17.281 6.464 1.00 40.43 H new ATOM 0 HB1 ALA A 115 14.052 -16.733 8.669 1.00 12.03 H new ATOM 0 HB2 ALA A 115 15.809 -17.001 8.772 1.00 12.03 H new ATOM 0 HB3 ALA A 115 15.158 -15.345 8.805 1.00 12.03 H new ATOM 888 N GLY A 116 14.065 -14.116 6.559 1.00 33.43 N ATOM 889 CA GLY A 116 13.042 -13.213 6.067 1.00 53.41 C ATOM 890 C GLY A 116 13.512 -11.772 6.025 1.00 32.13 C ATOM 891 O GLY A 116 12.724 -10.848 6.226 1.00 11.43 O ATOM 0 H GLY A 116 14.806 -13.670 7.099 1.00 33.43 H new ATOM 0 HA2 GLY A 116 12.739 -13.522 5.067 1.00 53.41 H new ATOM 0 HA3 GLY A 116 12.160 -13.286 6.704 1.00 53.41 H new ATOM 895 N LYS A 117 14.800 -11.579 5.765 1.00 25.34 N ATOM 896 CA LYS A 117 15.376 -10.241 5.698 1.00 21.34 C ATOM 897 C LYS A 117 15.513 -9.780 4.251 1.00 41.20 C ATOM 898 O LYS A 117 16.085 -10.482 3.417 1.00 43.10 O ATOM 899 CB LYS A 117 16.744 -10.217 6.384 1.00 21.40 C ATOM 900 CG LYS A 117 16.669 -9.991 7.884 1.00 33.31 C ATOM 901 CD LYS A 117 17.041 -11.246 8.657 1.00 42.44 C ATOM 902 CE LYS A 117 18.496 -11.217 9.098 1.00 45.20 C ATOM 903 NZ LYS A 117 18.664 -11.716 10.491 1.00 75.21 N ATOM 0 H LYS A 117 15.466 -12.333 5.597 1.00 25.34 H new ATOM 0 HA LYS A 117 14.704 -9.557 6.217 1.00 21.34 H new ATOM 0 HB2 LYS A 117 17.254 -11.161 6.192 1.00 21.40 H new ATOM 0 HB3 LYS A 117 17.352 -9.430 5.937 1.00 21.40 H new ATOM 0 HG2 LYS A 117 17.339 -9.178 8.164 1.00 33.31 H new ATOM 0 HG3 LYS A 117 15.660 -9.681 8.156 1.00 33.31 H new ATOM 0 HD2 LYS A 117 16.397 -11.341 9.531 1.00 42.44 H new ATOM 0 HD3 LYS A 117 16.866 -12.124 8.035 1.00 42.44 H new ATOM 0 HE2 LYS A 117 19.093 -11.826 8.420 1.00 45.20 H new ATOM 0 HE3 LYS A 117 18.876 -10.198 9.029 1.00 45.20 H new ATOM 0 HZ1 LYS A 117 19.670 -11.680 10.754 1.00 75.21 H new ATOM 0 HZ2 LYS A 117 18.115 -11.119 11.142 1.00 75.21 H new ATOM 0 HZ3 LYS A 117 18.325 -12.697 10.551 1.00 75.21 H new ATOM 917 N TYR A 118 14.986 -8.596 3.960 1.00 0.32 N ATOM 918 CA TYR A 118 15.049 -8.041 2.613 1.00 31.21 C ATOM 919 C TYR A 118 16.232 -7.089 2.471 1.00 43.03 C ATOM 920 O TYR A 118 16.651 -6.451 3.437 1.00 22.41 O ATOM 921 CB TYR A 118 13.748 -7.309 2.279 1.00 30.30 C ATOM 922 CG TYR A 118 12.507 -8.035 2.749 1.00 43.24 C ATOM 923 CD1 TYR A 118 11.894 -8.992 1.949 1.00 24.23 C ATOM 924 CD2 TYR A 118 11.947 -7.763 3.991 1.00 43.55 C ATOM 925 CE1 TYR A 118 10.760 -9.657 2.374 1.00 63.23 C ATOM 926 CE2 TYR A 118 10.814 -8.424 4.424 1.00 43.44 C ATOM 927 CZ TYR A 118 10.224 -9.370 3.612 1.00 44.23 C ATOM 928 OH TYR A 118 9.095 -10.029 4.039 1.00 72.51 O ATOM 0 H TYR A 118 14.510 -8.002 4.639 1.00 0.32 H new ATOM 0 HA TYR A 118 15.184 -8.866 1.914 1.00 31.21 H new ATOM 0 HB2 TYR A 118 13.772 -6.318 2.732 1.00 30.30 H new ATOM 0 HB3 TYR A 118 13.688 -7.166 1.200 1.00 30.30 H new ATOM 0 HD1 TYR A 118 12.311 -9.220 0.979 1.00 24.23 H new ATOM 0 HD2 TYR A 118 12.405 -7.022 4.629 1.00 43.55 H new ATOM 0 HE1 TYR A 118 10.296 -10.398 1.740 1.00 63.23 H new ATOM 0 HE2 TYR A 118 10.392 -8.201 5.393 1.00 43.44 H new ATOM 0 HH TYR A 118 8.525 -10.234 3.269 1.00 72.51 H new ATOM 938 N PHE A 119 16.767 -6.997 1.257 1.00 31.55 N ATOM 939 CA PHE A 119 17.903 -6.124 0.986 1.00 15.24 C ATOM 940 C PHE A 119 18.077 -5.909 -0.514 1.00 41.52 C ATOM 941 O PHE A 119 17.723 -6.768 -1.322 1.00 33.42 O ATOM 942 CB PHE A 119 19.182 -6.716 1.580 1.00 22.23 C ATOM 943 CG PHE A 119 19.552 -8.050 0.997 1.00 1.01 C ATOM 944 CD1 PHE A 119 18.703 -9.137 1.127 1.00 23.32 C ATOM 945 CD2 PHE A 119 20.749 -8.217 0.319 1.00 1.43 C ATOM 946 CE1 PHE A 119 19.041 -10.366 0.591 1.00 35.15 C ATOM 947 CE2 PHE A 119 21.091 -9.443 -0.219 1.00 4.41 C ATOM 948 CZ PHE A 119 20.237 -10.519 -0.082 1.00 13.04 C ATOM 0 H PHE A 119 16.432 -7.517 0.446 1.00 31.55 H new ATOM 0 HA PHE A 119 17.707 -5.159 1.453 1.00 15.24 H new ATOM 0 HB2 PHE A 119 20.004 -6.018 1.421 1.00 22.23 H new ATOM 0 HB3 PHE A 119 19.058 -6.821 2.658 1.00 22.23 H new ATOM 0 HD1 PHE A 119 17.767 -9.023 1.653 1.00 23.32 H new ATOM 0 HD2 PHE A 119 21.422 -7.380 0.210 1.00 1.43 H new ATOM 0 HE1 PHE A 119 18.370 -11.206 0.699 1.00 35.15 H new ATOM 0 HE2 PHE A 119 22.026 -9.559 -0.747 1.00 4.41 H new ATOM 0 HZ PHE A 119 20.504 -11.478 -0.500 1.00 13.04 H new ATOM 958 N LEU A 120 18.625 -4.755 -0.880 1.00 71.03 N ATOM 959 CA LEU A 120 18.847 -4.425 -2.284 1.00 13.21 C ATOM 960 C LEU A 120 20.268 -3.918 -2.506 1.00 0.42 C ATOM 961 O LEU A 120 21.146 -4.668 -2.933 1.00 14.12 O ATOM 962 CB LEU A 120 17.839 -3.371 -2.746 1.00 11.24 C ATOM 963 CG LEU A 120 16.433 -3.881 -3.064 1.00 51.51 C ATOM 964 CD1 LEU A 120 15.402 -2.790 -2.819 1.00 74.03 C ATOM 965 CD2 LEU A 120 16.358 -4.375 -4.501 1.00 72.32 C ATOM 0 H LEU A 120 18.924 -4.033 -0.225 1.00 71.03 H new ATOM 0 HA LEU A 120 18.709 -5.333 -2.871 1.00 13.21 H new ATOM 0 HB2 LEU A 120 17.761 -2.608 -1.971 1.00 11.24 H new ATOM 0 HB3 LEU A 120 18.236 -2.882 -3.636 1.00 11.24 H new ATOM 0 HG LEU A 120 16.211 -4.717 -2.401 1.00 51.51 H new ATOM 0 HD11 LEU A 120 14.407 -3.171 -3.051 1.00 74.03 H new ATOM 0 HD12 LEU A 120 15.439 -2.483 -1.774 1.00 74.03 H new ATOM 0 HD13 LEU A 120 15.620 -1.933 -3.457 1.00 74.03 H new ATOM 0 HD21 LEU A 120 15.350 -4.734 -4.710 1.00 72.32 H new ATOM 0 HD22 LEU A 120 16.600 -3.557 -5.180 1.00 72.32 H new ATOM 0 HD23 LEU A 120 17.070 -5.188 -4.644 1.00 72.32 H new ATOM 977 N TRP A 121 20.488 -2.641 -2.211 1.00 74.44 N ATOM 978 CA TRP A 121 21.804 -2.035 -2.377 1.00 14.42 C ATOM 979 C TRP A 121 22.576 -2.043 -1.062 1.00 51.43 C ATOM 980 O TRP A 121 22.845 -0.990 -0.482 1.00 75.44 O ATOM 981 CB TRP A 121 21.666 -0.601 -2.893 1.00 33.31 C ATOM 982 CG TRP A 121 20.849 -0.497 -4.145 1.00 14.10 C ATOM 983 CD1 TRP A 121 19.633 0.110 -4.282 1.00 41.51 C ATOM 984 CD2 TRP A 121 21.187 -1.017 -5.435 1.00 44.43 C ATOM 985 NE1 TRP A 121 19.196 0.000 -5.580 1.00 71.40 N ATOM 986 CE2 TRP A 121 20.132 -0.687 -6.308 1.00 13.34 C ATOM 987 CE3 TRP A 121 22.281 -1.727 -5.939 1.00 55.52 C ATOM 988 CZ2 TRP A 121 20.139 -1.044 -7.653 1.00 60.42 C ATOM 989 CZ3 TRP A 121 22.286 -2.081 -7.275 1.00 1.02 C ATOM 990 CH2 TRP A 121 21.222 -1.739 -8.120 1.00 32.13 C ATOM 0 H TRP A 121 19.773 -2.006 -1.856 1.00 74.44 H new ATOM 0 HA TRP A 121 22.359 -2.624 -3.107 1.00 14.42 H new ATOM 0 HB2 TRP A 121 21.210 0.014 -2.118 1.00 33.31 H new ATOM 0 HB3 TRP A 121 22.659 -0.193 -3.081 1.00 33.31 H new ATOM 0 HD1 TRP A 121 19.094 0.604 -3.487 1.00 41.51 H new ATOM 0 HE1 TRP A 121 18.317 0.370 -5.943 1.00 71.40 H new ATOM 0 HE3 TRP A 121 23.107 -1.994 -5.296 1.00 55.52 H new ATOM 0 HZ2 TRP A 121 19.319 -0.782 -8.305 1.00 60.42 H new ATOM 0 HZ3 TRP A 121 23.125 -2.631 -7.675 1.00 1.02 H new ATOM 0 HH2 TRP A 121 21.257 -2.029 -9.160 1.00 32.13 H new ATOM 1001 N VAL A 122 22.931 -3.236 -0.597 1.00 1.04 N ATOM 1002 CA VAL A 122 23.674 -3.380 0.649 1.00 22.25 C ATOM 1003 C VAL A 122 22.751 -3.263 1.857 1.00 74.52 C ATOM 1004 O VAL A 122 22.855 -4.037 2.809 1.00 1.41 O ATOM 1005 CB VAL A 122 24.788 -2.322 0.765 1.00 73.24 C ATOM 1006 CG1 VAL A 122 25.809 -2.734 1.814 1.00 40.20 C ATOM 1007 CG2 VAL A 122 25.456 -2.103 -0.584 1.00 73.45 C ATOM 0 H VAL A 122 22.716 -4.117 -1.064 1.00 1.04 H new ATOM 0 HA VAL A 122 24.125 -4.372 0.634 1.00 22.25 H new ATOM 0 HB VAL A 122 24.339 -1.380 1.080 1.00 73.24 H new ATOM 0 HG11 VAL A 122 26.588 -1.975 1.882 1.00 40.20 H new ATOM 0 HG12 VAL A 122 25.316 -2.836 2.781 1.00 40.20 H new ATOM 0 HG13 VAL A 122 26.256 -3.688 1.532 1.00 40.20 H new ATOM 0 HG21 VAL A 122 26.240 -1.353 -0.484 1.00 73.45 H new ATOM 0 HG22 VAL A 122 25.892 -3.040 -0.930 1.00 73.45 H new ATOM 0 HG23 VAL A 122 24.715 -1.759 -1.305 1.00 73.45 H new ATOM 1017 N VAL A 123 21.845 -2.291 1.810 1.00 20.45 N ATOM 1018 CA VAL A 123 20.901 -2.074 2.900 1.00 52.21 C ATOM 1019 C VAL A 123 19.977 -3.274 3.074 1.00 13.31 C ATOM 1020 O VAL A 123 19.472 -3.830 2.099 1.00 54.34 O ATOM 1021 CB VAL A 123 20.048 -0.814 2.660 1.00 1.42 C ATOM 1022 CG1 VAL A 123 18.849 -1.139 1.783 1.00 41.05 C ATOM 1023 CG2 VAL A 123 19.602 -0.213 3.985 1.00 43.34 C ATOM 0 H VAL A 123 21.745 -1.642 1.029 1.00 20.45 H new ATOM 0 HA VAL A 123 21.490 -1.938 3.807 1.00 52.21 H new ATOM 0 HB VAL A 123 20.659 -0.077 2.139 1.00 1.42 H new ATOM 0 HG11 VAL A 123 18.259 -0.236 1.625 1.00 41.05 H new ATOM 0 HG12 VAL A 123 19.194 -1.520 0.822 1.00 41.05 H new ATOM 0 HG13 VAL A 123 18.234 -1.894 2.273 1.00 41.05 H new ATOM 0 HG21 VAL A 123 19.000 0.676 3.797 1.00 43.34 H new ATOM 0 HG22 VAL A 123 19.008 -0.943 4.534 1.00 43.34 H new ATOM 0 HG23 VAL A 123 20.478 0.059 4.574 1.00 43.34 H new ATOM 1033 N LYS A 124 19.759 -3.669 4.324 1.00 54.12 N ATOM 1034 CA LYS A 124 18.894 -4.802 4.628 1.00 35.45 C ATOM 1035 C LYS A 124 18.033 -4.516 5.855 1.00 41.00 C ATOM 1036 O LYS A 124 18.392 -3.695 6.700 1.00 63.43 O ATOM 1037 CB LYS A 124 19.731 -6.061 4.863 1.00 64.31 C ATOM 1038 CG LYS A 124 20.352 -6.130 6.248 1.00 51.15 C ATOM 1039 CD LYS A 124 21.723 -6.785 6.213 1.00 55.14 C ATOM 1040 CE LYS A 124 21.679 -8.198 6.774 1.00 64.04 C ATOM 1041 NZ LYS A 124 23.017 -8.646 7.252 1.00 73.03 N ATOM 0 H LYS A 124 20.170 -3.221 5.143 1.00 54.12 H new ATOM 0 HA LYS A 124 18.237 -4.964 3.774 1.00 35.45 H new ATOM 0 HB2 LYS A 124 19.102 -6.938 4.712 1.00 64.31 H new ATOM 0 HB3 LYS A 124 20.524 -6.105 4.116 1.00 64.31 H new ATOM 0 HG2 LYS A 124 20.439 -5.124 6.659 1.00 51.15 H new ATOM 0 HG3 LYS A 124 19.697 -6.691 6.914 1.00 51.15 H new ATOM 0 HD2 LYS A 124 22.089 -6.811 5.187 1.00 55.14 H new ATOM 0 HD3 LYS A 124 22.429 -6.186 6.788 1.00 55.14 H new ATOM 0 HE2 LYS A 124 20.966 -8.240 7.598 1.00 64.04 H new ATOM 0 HE3 LYS A 124 21.319 -8.883 6.006 1.00 64.04 H new ATOM 0 HZ1 LYS A 124 22.946 -9.613 7.627 1.00 73.03 H new ATOM 0 HZ2 LYS A 124 23.692 -8.630 6.461 1.00 73.03 H new ATOM 0 HZ3 LYS A 124 23.349 -8.007 8.003 1.00 73.03 H new ATOM 1055 N PHE A 125 16.896 -5.198 5.947 1.00 25.32 N ATOM 1056 CA PHE A 125 15.985 -5.017 7.071 1.00 22.31 C ATOM 1057 C PHE A 125 15.202 -6.297 7.348 1.00 75.05 C ATOM 1058 O PHE A 125 15.328 -7.283 6.623 1.00 31.43 O ATOM 1059 CB PHE A 125 15.019 -3.865 6.791 1.00 12.50 C ATOM 1060 CG PHE A 125 15.657 -2.509 6.896 1.00 54.35 C ATOM 1061 CD1 PHE A 125 15.864 -1.920 8.132 1.00 11.44 C ATOM 1062 CD2 PHE A 125 16.049 -1.824 5.757 1.00 3.41 C ATOM 1063 CE1 PHE A 125 16.450 -0.672 8.231 1.00 11.21 C ATOM 1064 CE2 PHE A 125 16.636 -0.576 5.850 1.00 42.44 C ATOM 1065 CZ PHE A 125 16.838 0.000 7.089 1.00 54.55 C ATOM 0 H PHE A 125 16.584 -5.881 5.257 1.00 25.32 H new ATOM 0 HA PHE A 125 16.579 -4.778 7.953 1.00 22.31 H new ATOM 0 HB2 PHE A 125 14.603 -3.985 5.791 1.00 12.50 H new ATOM 0 HB3 PHE A 125 14.186 -3.921 7.492 1.00 12.50 H new ATOM 0 HD1 PHE A 125 15.564 -2.442 9.029 1.00 11.44 H new ATOM 0 HD2 PHE A 125 15.894 -2.270 4.786 1.00 3.41 H new ATOM 0 HE1 PHE A 125 16.604 -0.223 9.201 1.00 11.21 H new ATOM 0 HE2 PHE A 125 16.936 -0.052 4.955 1.00 42.44 H new ATOM 0 HZ PHE A 125 17.298 0.974 7.164 1.00 54.55 H new ATOM 1075 N ASN A 126 14.392 -6.272 8.401 1.00 21.25 N ATOM 1076 CA ASN A 126 13.588 -7.430 8.775 1.00 23.33 C ATOM 1077 C ASN A 126 12.222 -7.385 8.098 1.00 32.34 C ATOM 1078 O ASN A 126 11.703 -8.410 7.655 1.00 44.13 O ATOM 1079 CB ASN A 126 13.416 -7.488 10.294 1.00 33.54 C ATOM 1080 CG ASN A 126 14.742 -7.575 11.024 1.00 23.21 C ATOM 1081 OD1 ASN A 126 15.129 -8.639 11.507 1.00 23.33 O ATOM 1082 ND2 ASN A 126 15.446 -6.452 11.107 1.00 21.14 N ATOM 0 H ASN A 126 14.275 -5.463 9.011 1.00 21.25 H new ATOM 0 HA ASN A 126 14.110 -8.327 8.441 1.00 23.33 H new ATOM 0 HB2 ASN A 126 12.877 -6.602 10.630 1.00 33.54 H new ATOM 0 HB3 ASN A 126 12.804 -8.351 10.555 1.00 33.54 H new ATOM 0 HD21 ASN A 126 16.347 -6.449 11.586 1.00 21.14 H new ATOM 0 HD22 ASN A 126 15.086 -5.593 10.692 1.00 21.14 H new ATOM 1089 N SER A 127 11.644 -6.191 8.022 1.00 0.35 N ATOM 1090 CA SER A 127 10.336 -6.012 7.403 1.00 43.04 C ATOM 1091 C SER A 127 10.459 -5.255 6.083 1.00 22.44 C ATOM 1092 O SER A 127 11.533 -4.764 5.734 1.00 63.24 O ATOM 1093 CB SER A 127 9.398 -5.261 8.349 1.00 1.41 C ATOM 1094 OG SER A 127 8.385 -6.116 8.849 1.00 63.42 O ATOM 0 H SER A 127 12.061 -5.332 8.382 1.00 0.35 H new ATOM 0 HA SER A 127 9.920 -6.999 7.199 1.00 43.04 H new ATOM 0 HB2 SER A 127 9.970 -4.846 9.179 1.00 1.41 H new ATOM 0 HB3 SER A 127 8.943 -4.421 7.824 1.00 1.41 H new ATOM 0 HG SER A 127 7.800 -5.612 9.452 1.00 63.42 H new ATOM 1100 N LEU A 128 9.352 -5.165 5.355 1.00 31.41 N ATOM 1101 CA LEU A 128 9.334 -4.469 4.074 1.00 54.35 C ATOM 1102 C LEU A 128 9.239 -2.960 4.275 1.00 4.34 C ATOM 1103 O LEU A 128 10.071 -2.204 3.776 1.00 44.31 O ATOM 1104 CB LEU A 128 8.159 -4.955 3.223 1.00 61.31 C ATOM 1105 CG LEU A 128 8.435 -6.162 2.326 1.00 72.25 C ATOM 1106 CD1 LEU A 128 7.301 -6.359 1.332 1.00 55.22 C ATOM 1107 CD2 LEU A 128 9.761 -5.994 1.598 1.00 53.12 C ATOM 0 H LEU A 128 8.455 -5.565 5.630 1.00 31.41 H new ATOM 0 HA LEU A 128 10.267 -4.691 3.556 1.00 54.35 H new ATOM 0 HB2 LEU A 128 7.332 -5.204 3.889 1.00 61.31 H new ATOM 0 HB3 LEU A 128 7.825 -4.129 2.595 1.00 61.31 H new ATOM 0 HG LEU A 128 8.498 -7.050 2.955 1.00 72.25 H new ATOM 0 HD11 LEU A 128 7.515 -7.222 0.702 1.00 55.22 H new ATOM 0 HD12 LEU A 128 6.369 -6.526 1.872 1.00 55.22 H new ATOM 0 HD13 LEU A 128 7.205 -5.470 0.709 1.00 55.22 H new ATOM 0 HD21 LEU A 128 9.941 -6.862 0.964 1.00 53.12 H new ATOM 0 HD22 LEU A 128 9.726 -5.096 0.981 1.00 53.12 H new ATOM 0 HD23 LEU A 128 10.567 -5.903 2.326 1.00 53.12 H new ATOM 1119 N ASN A 129 8.221 -2.529 5.013 1.00 40.01 N ATOM 1120 CA ASN A 129 8.019 -1.110 5.283 1.00 71.05 C ATOM 1121 C ASN A 129 9.339 -0.429 5.630 1.00 43.14 C ATOM 1122 O ASN A 129 9.571 0.722 5.260 1.00 73.31 O ATOM 1123 CB ASN A 129 7.020 -0.924 6.427 1.00 61.24 C ATOM 1124 CG ASN A 129 7.136 -2.011 7.478 1.00 63.13 C ATOM 1125 OD1 ASN A 129 8.171 -1.925 8.306 1.00 41.25 O flip ATOM 1126 ND2 ASN A 129 6.305 -2.917 7.545 1.00 61.25 N flip ATOM 0 H ASN A 129 7.523 -3.142 5.435 1.00 40.01 H new ATOM 0 HA ASN A 129 7.618 -0.648 4.381 1.00 71.05 H new ATOM 0 HB2 ASN A 129 7.183 0.048 6.894 1.00 61.24 H new ATOM 0 HB3 ASN A 129 6.007 -0.918 6.024 1.00 61.24 H new ATOM 0 HD21 ASN A 129 5.525 -2.944 6.888 1.00 61.25 H new ATOM 0 HD22 ASN A 129 6.396 -3.641 8.258 1.00 61.25 H new ATOM 1133 N GLU A 130 10.201 -1.148 6.341 1.00 20.54 N ATOM 1134 CA GLU A 130 11.498 -0.613 6.738 1.00 11.22 C ATOM 1135 C GLU A 130 12.360 -0.313 5.515 1.00 20.12 C ATOM 1136 O GLU A 130 12.990 0.742 5.429 1.00 54.14 O ATOM 1137 CB GLU A 130 12.222 -1.599 7.657 1.00 3.32 C ATOM 1138 CG GLU A 130 11.651 -1.652 9.064 1.00 0.42 C ATOM 1139 CD GLU A 130 12.563 -1.005 10.089 1.00 53.33 C ATOM 1140 OE1 GLU A 130 12.486 0.230 10.256 1.00 2.31 O ATOM 1141 OE2 GLU A 130 13.353 -1.735 10.723 1.00 11.54 O ATOM 0 H GLU A 130 10.025 -2.103 6.654 1.00 20.54 H new ATOM 0 HA GLU A 130 11.328 0.318 7.279 1.00 11.22 H new ATOM 0 HB2 GLU A 130 12.174 -2.595 7.217 1.00 3.32 H new ATOM 0 HB3 GLU A 130 13.276 -1.325 7.712 1.00 3.32 H new ATOM 0 HG2 GLU A 130 10.683 -1.152 9.078 1.00 0.42 H new ATOM 0 HG3 GLU A 130 11.477 -2.691 9.343 1.00 0.42 H new ATOM 1148 N LEU A 131 12.384 -1.249 4.572 1.00 0.43 N ATOM 1149 CA LEU A 131 13.169 -1.086 3.353 1.00 30.34 C ATOM 1150 C LEU A 131 12.627 0.060 2.505 1.00 21.13 C ATOM 1151 O LEU A 131 13.388 0.785 1.864 1.00 14.21 O ATOM 1152 CB LEU A 131 13.162 -2.383 2.542 1.00 23.35 C ATOM 1153 CG LEU A 131 14.490 -2.777 1.895 1.00 43.11 C ATOM 1154 CD1 LEU A 131 15.079 -3.998 2.584 1.00 71.31 C ATOM 1155 CD2 LEU A 131 14.301 -3.040 0.408 1.00 24.31 C ATOM 0 H LEU A 131 11.869 -2.128 4.628 1.00 0.43 H new ATOM 0 HA LEU A 131 14.194 -0.848 3.639 1.00 30.34 H new ATOM 0 HB2 LEU A 131 12.844 -3.195 3.196 1.00 23.35 H new ATOM 0 HB3 LEU A 131 12.411 -2.293 1.757 1.00 23.35 H new ATOM 0 HG LEU A 131 15.189 -1.948 2.011 1.00 43.11 H new ATOM 0 HD11 LEU A 131 16.024 -4.263 2.109 1.00 71.31 H new ATOM 0 HD12 LEU A 131 15.252 -3.774 3.637 1.00 71.31 H new ATOM 0 HD13 LEU A 131 14.384 -4.834 2.500 1.00 71.31 H new ATOM 0 HD21 LEU A 131 15.256 -3.319 -0.036 1.00 24.31 H new ATOM 0 HD22 LEU A 131 13.586 -3.851 0.270 1.00 24.31 H new ATOM 0 HD23 LEU A 131 13.925 -2.139 -0.076 1.00 24.31 H new ATOM 1167 N VAL A 132 11.307 0.219 2.508 1.00 23.13 N ATOM 1168 CA VAL A 132 10.663 1.279 1.742 1.00 3.00 C ATOM 1169 C VAL A 132 11.057 2.655 2.269 1.00 75.51 C ATOM 1170 O VAL A 132 11.448 3.535 1.503 1.00 41.30 O ATOM 1171 CB VAL A 132 9.129 1.146 1.780 1.00 42.33 C ATOM 1172 CG1 VAL A 132 8.471 2.381 1.183 1.00 4.34 C ATOM 1173 CG2 VAL A 132 8.685 -0.111 1.047 1.00 45.32 C ATOM 0 H VAL A 132 10.663 -0.373 3.033 1.00 23.13 H new ATOM 0 HA VAL A 132 11.003 1.177 0.712 1.00 3.00 H new ATOM 0 HB VAL A 132 8.815 1.063 2.820 1.00 42.33 H new ATOM 0 HG11 VAL A 132 7.387 2.269 1.218 1.00 4.34 H new ATOM 0 HG12 VAL A 132 8.764 3.262 1.755 1.00 4.34 H new ATOM 0 HG13 VAL A 132 8.790 2.499 0.147 1.00 4.34 H new ATOM 0 HG21 VAL A 132 7.598 -0.189 1.084 1.00 45.32 H new ATOM 0 HG22 VAL A 132 9.010 -0.060 0.008 1.00 45.32 H new ATOM 0 HG23 VAL A 132 9.128 -0.986 1.523 1.00 45.32 H new ATOM 1183 N ASP A 133 10.950 2.832 3.581 1.00 21.21 N ATOM 1184 CA ASP A 133 11.296 4.100 4.212 1.00 42.32 C ATOM 1185 C ASP A 133 12.726 4.505 3.869 1.00 43.54 C ATOM 1186 O ASP A 133 12.965 5.592 3.340 1.00 34.31 O ATOM 1187 CB ASP A 133 11.131 4.002 5.729 1.00 21.41 C ATOM 1188 CG ASP A 133 10.863 5.349 6.371 1.00 21.42 C ATOM 1189 OD1 ASP A 133 9.715 5.830 6.281 1.00 13.20 O ATOM 1190 OD2 ASP A 133 11.802 5.921 6.963 1.00 10.51 O ATOM 0 H ASP A 133 10.626 2.113 4.228 1.00 21.21 H new ATOM 0 HA ASP A 133 10.619 4.864 3.830 1.00 42.32 H new ATOM 0 HB2 ASP A 133 10.310 3.323 5.959 1.00 21.41 H new ATOM 0 HB3 ASP A 133 12.033 3.569 6.162 1.00 21.41 H new ATOM 1195 N TYR A 134 13.674 3.626 4.173 1.00 1.13 N ATOM 1196 CA TYR A 134 15.081 3.894 3.900 1.00 22.44 C ATOM 1197 C TYR A 134 15.274 4.391 2.471 1.00 31.10 C ATOM 1198 O TYR A 134 15.947 5.395 2.236 1.00 51.11 O ATOM 1199 CB TYR A 134 15.916 2.632 4.130 1.00 14.54 C ATOM 1200 CG TYR A 134 17.391 2.825 3.859 1.00 34.51 C ATOM 1201 CD1 TYR A 134 17.853 3.084 2.575 1.00 41.30 C ATOM 1202 CD2 TYR A 134 18.322 2.747 4.888 1.00 51.25 C ATOM 1203 CE1 TYR A 134 19.200 3.260 2.323 1.00 72.44 C ATOM 1204 CE2 TYR A 134 19.671 2.923 4.645 1.00 75.34 C ATOM 1205 CZ TYR A 134 20.105 3.178 3.361 1.00 55.14 C ATOM 1206 OH TYR A 134 21.447 3.354 3.114 1.00 72.45 O ATOM 0 H TYR A 134 13.494 2.722 4.609 1.00 1.13 H new ATOM 0 HA TYR A 134 15.416 4.673 4.585 1.00 22.44 H new ATOM 0 HB2 TYR A 134 15.784 2.302 5.161 1.00 14.54 H new ATOM 0 HB3 TYR A 134 15.539 1.835 3.490 1.00 14.54 H new ATOM 0 HD1 TYR A 134 17.147 3.149 1.760 1.00 41.30 H new ATOM 0 HD2 TYR A 134 17.986 2.545 5.894 1.00 51.25 H new ATOM 0 HE1 TYR A 134 19.543 3.461 1.319 1.00 72.44 H new ATOM 0 HE2 TYR A 134 20.381 2.861 5.456 1.00 75.34 H new ATOM 0 HH TYR A 134 21.948 3.266 3.952 1.00 72.45 H new ATOM 1216 N HIS A 135 14.677 3.681 1.519 1.00 65.42 N ATOM 1217 CA HIS A 135 14.781 4.049 0.111 1.00 5.24 C ATOM 1218 C HIS A 135 14.067 5.370 -0.158 1.00 41.04 C ATOM 1219 O HIS A 135 14.392 6.079 -1.111 1.00 3.54 O ATOM 1220 CB HIS A 135 14.193 2.948 -0.771 1.00 12.01 C ATOM 1221 CG HIS A 135 15.061 1.732 -0.871 1.00 24.03 C ATOM 1222 ND1 HIS A 135 16.417 1.793 -1.118 1.00 55.30 N ATOM 1223 CD2 HIS A 135 14.761 0.417 -0.753 1.00 40.42 C ATOM 1224 CE1 HIS A 135 16.912 0.569 -1.150 1.00 51.11 C ATOM 1225 NE2 HIS A 135 15.928 -0.284 -0.931 1.00 71.41 N ATOM 0 H HIS A 135 14.116 2.848 1.697 1.00 65.42 H new ATOM 0 HA HIS A 135 15.837 4.171 -0.131 1.00 5.24 H new ATOM 0 HB2 HIS A 135 13.220 2.658 -0.375 1.00 12.01 H new ATOM 0 HB3 HIS A 135 14.024 3.347 -1.771 1.00 12.01 H new ATOM 0 HD1 HIS A 135 16.953 2.650 -1.255 1.00 55.30 H new ATOM 0 HD2 HIS A 135 13.786 -0.002 -0.556 1.00 40.42 H new ATOM 0 HE1 HIS A 135 17.946 0.310 -1.325 1.00 51.11 H new ATOM 1233 N ARG A 136 13.092 5.693 0.685 1.00 2.11 N ATOM 1234 CA ARG A 136 12.331 6.927 0.536 1.00 13.41 C ATOM 1235 C ARG A 136 13.173 8.137 0.932 1.00 72.22 C ATOM 1236 O ARG A 136 12.926 9.253 0.476 1.00 44.33 O ATOM 1237 CB ARG A 136 11.062 6.875 1.389 1.00 32.10 C ATOM 1238 CG ARG A 136 10.164 8.090 1.220 1.00 20.34 C ATOM 1239 CD ARG A 136 10.157 8.955 2.471 1.00 45.44 C ATOM 1240 NE ARG A 136 10.381 10.365 2.161 1.00 11.23 N ATOM 1241 CZ ARG A 136 10.405 11.324 3.080 1.00 0.21 C ATOM 1242 NH1 ARG A 136 10.221 11.027 4.359 1.00 72.41 N ATOM 1243 NH2 ARG A 136 10.614 12.584 2.720 1.00 2.23 N ATOM 0 H ARG A 136 12.811 5.117 1.478 1.00 2.11 H new ATOM 0 HA ARG A 136 12.052 7.027 -0.513 1.00 13.41 H new ATOM 0 HB2 ARG A 136 10.498 5.978 1.132 1.00 32.10 H new ATOM 0 HB3 ARG A 136 11.343 6.785 2.438 1.00 32.10 H new ATOM 0 HG2 ARG A 136 10.505 8.681 0.370 1.00 20.34 H new ATOM 0 HG3 ARG A 136 9.148 7.765 0.995 1.00 20.34 H new ATOM 0 HD2 ARG A 136 9.202 8.844 2.984 1.00 45.44 H new ATOM 0 HD3 ARG A 136 10.929 8.607 3.157 1.00 45.44 H new ATOM 0 HE ARG A 136 10.527 10.627 1.186 1.00 11.23 H new ATOM 0 HH11 ARG A 136 10.060 10.060 4.640 1.00 72.41 H new ATOM 0 HH12 ARG A 136 10.240 11.766 5.062 1.00 72.41 H new ATOM 0 HH21 ARG A 136 10.756 12.817 1.737 1.00 2.23 H new ATOM 0 HH22 ARG A 136 10.632 13.320 3.426 1.00 2.23 H new ATOM 1257 N SER A 137 14.167 7.906 1.783 1.00 11.25 N ATOM 1258 CA SER A 137 15.043 8.977 2.244 1.00 13.22 C ATOM 1259 C SER A 137 16.320 9.031 1.411 1.00 55.22 C ATOM 1260 O SER A 137 16.973 10.071 1.319 1.00 13.25 O ATOM 1261 CB SER A 137 15.392 8.780 3.721 1.00 73.14 C ATOM 1262 OG SER A 137 16.209 9.835 4.197 1.00 53.20 O ATOM 0 H SER A 137 14.386 6.987 2.167 1.00 11.25 H new ATOM 0 HA SER A 137 14.513 9.922 2.126 1.00 13.22 H new ATOM 0 HB2 SER A 137 14.477 8.730 4.311 1.00 73.14 H new ATOM 0 HB3 SER A 137 15.908 7.829 3.852 1.00 73.14 H new ATOM 0 HG SER A 137 16.417 9.687 5.143 1.00 53.20 H new ATOM 1268 N THR A 138 16.671 7.902 0.803 1.00 35.24 N ATOM 1269 CA THR A 138 17.869 7.818 -0.022 1.00 10.34 C ATOM 1270 C THR A 138 17.513 7.715 -1.500 1.00 54.32 C ATOM 1271 O THR A 138 16.431 7.248 -1.857 1.00 21.03 O ATOM 1272 CB THR A 138 18.738 6.608 0.371 1.00 51.42 C ATOM 1273 OG1 THR A 138 20.024 6.707 -0.250 1.00 43.15 O ATOM 1274 CG2 THR A 138 18.069 5.306 -0.041 1.00 30.43 C ATOM 0 H THR A 138 16.142 7.032 0.867 1.00 35.24 H new ATOM 0 HA THR A 138 18.435 8.734 0.149 1.00 10.34 H new ATOM 0 HB THR A 138 18.857 6.610 1.454 1.00 51.42 H new ATOM 0 HG1 THR A 138 20.571 5.935 0.006 1.00 43.15 H new ATOM 0 HG21 THR A 138 18.701 4.465 0.247 1.00 30.43 H new ATOM 0 HG22 THR A 138 17.103 5.220 0.456 1.00 30.43 H new ATOM 0 HG23 THR A 138 17.924 5.298 -1.121 1.00 30.43 H new ATOM 1282 N SER A 139 18.429 8.154 -2.357 1.00 41.20 N ATOM 1283 CA SER A 139 18.210 8.114 -3.798 1.00 53.11 C ATOM 1284 C SER A 139 17.558 6.798 -4.212 1.00 14.31 C ATOM 1285 O SER A 139 17.619 5.806 -3.486 1.00 5.01 O ATOM 1286 CB SER A 139 19.534 8.296 -4.542 1.00 40.22 C ATOM 1287 OG SER A 139 20.477 7.312 -4.154 1.00 74.21 O ATOM 0 H SER A 139 19.330 8.542 -2.078 1.00 41.20 H new ATOM 0 HA SER A 139 17.538 8.931 -4.061 1.00 53.11 H new ATOM 0 HB2 SER A 139 19.362 8.236 -5.617 1.00 40.22 H new ATOM 0 HB3 SER A 139 19.935 9.289 -4.339 1.00 40.22 H new ATOM 0 HG SER A 139 21.314 7.449 -4.645 1.00 74.21 H new ATOM 1293 N VAL A 140 16.932 6.798 -5.385 1.00 11.43 N ATOM 1294 CA VAL A 140 16.269 5.605 -5.897 1.00 55.53 C ATOM 1295 C VAL A 140 16.771 5.254 -7.293 1.00 52.43 C ATOM 1296 O VAL A 140 17.076 4.097 -7.582 1.00 11.24 O ATOM 1297 CB VAL A 140 14.740 5.790 -5.945 1.00 21.21 C ATOM 1298 CG1 VAL A 140 14.166 5.854 -4.538 1.00 12.31 C ATOM 1299 CG2 VAL A 140 14.379 7.039 -6.735 1.00 31.32 C ATOM 0 H VAL A 140 16.870 7.611 -5.998 1.00 11.43 H new ATOM 0 HA VAL A 140 16.508 4.791 -5.213 1.00 55.53 H new ATOM 0 HB VAL A 140 14.303 4.929 -6.451 1.00 21.21 H new ATOM 0 HG11 VAL A 140 13.085 5.985 -4.592 1.00 12.31 H new ATOM 0 HG12 VAL A 140 14.394 4.928 -4.010 1.00 12.31 H new ATOM 0 HG13 VAL A 140 14.607 6.695 -4.003 1.00 12.31 H new ATOM 0 HG21 VAL A 140 13.295 7.154 -6.759 1.00 31.32 H new ATOM 0 HG22 VAL A 140 14.826 7.912 -6.260 1.00 31.32 H new ATOM 0 HG23 VAL A 140 14.756 6.947 -7.753 1.00 31.32 H new ATOM 1309 N SER A 141 16.855 6.261 -8.157 1.00 14.53 N ATOM 1310 CA SER A 141 17.317 6.059 -9.525 1.00 21.03 C ATOM 1311 C SER A 141 18.812 6.339 -9.640 1.00 24.03 C ATOM 1312 O SER A 141 19.339 7.236 -8.982 1.00 5.23 O ATOM 1313 CB SER A 141 16.542 6.962 -10.486 1.00 62.14 C ATOM 1314 OG SER A 141 16.342 6.324 -11.736 1.00 31.44 O ATOM 0 H SER A 141 16.609 7.225 -7.933 1.00 14.53 H new ATOM 0 HA SER A 141 17.138 5.018 -9.793 1.00 21.03 H new ATOM 0 HB2 SER A 141 15.578 7.222 -10.048 1.00 62.14 H new ATOM 0 HB3 SER A 141 17.087 7.894 -10.633 1.00 62.14 H new ATOM 0 HG SER A 141 15.496 5.830 -11.719 1.00 31.44 H new ATOM 1320 N ARG A 142 19.490 5.564 -10.480 1.00 41.34 N ATOM 1321 CA ARG A 142 20.925 5.727 -10.682 1.00 11.04 C ATOM 1322 C ARG A 142 21.207 6.698 -11.824 1.00 51.23 C ATOM 1323 O ARG A 142 22.226 6.591 -12.506 1.00 14.24 O ATOM 1324 CB ARG A 142 21.577 4.375 -10.975 1.00 30.41 C ATOM 1325 CG ARG A 142 21.085 3.253 -10.075 1.00 13.13 C ATOM 1326 CD ARG A 142 22.209 2.691 -9.219 1.00 42.21 C ATOM 1327 NE ARG A 142 22.662 3.648 -8.213 1.00 45.44 N ATOM 1328 CZ ARG A 142 23.808 3.532 -7.551 1.00 61.44 C ATOM 1329 NH1 ARG A 142 24.612 2.504 -7.788 1.00 5.43 N ATOM 1330 NH2 ARG A 142 24.151 4.444 -6.651 1.00 25.21 N ATOM 0 H ARG A 142 19.069 4.817 -11.032 1.00 41.34 H new ATOM 0 HA ARG A 142 21.351 6.137 -9.766 1.00 11.04 H new ATOM 0 HB2 ARG A 142 21.385 4.106 -12.014 1.00 30.41 H new ATOM 0 HB3 ARG A 142 22.657 4.471 -10.865 1.00 30.41 H new ATOM 0 HG2 ARG A 142 20.287 3.625 -9.432 1.00 13.13 H new ATOM 0 HG3 ARG A 142 20.658 2.457 -10.685 1.00 13.13 H new ATOM 0 HD2 ARG A 142 21.868 1.781 -8.726 1.00 42.21 H new ATOM 0 HD3 ARG A 142 23.047 2.413 -9.858 1.00 42.21 H new ATOM 0 HE ARG A 142 22.066 4.450 -8.007 1.00 45.44 H new ATOM 0 HH11 ARG A 142 24.351 1.801 -8.479 1.00 5.43 H new ATOM 0 HH12 ARG A 142 25.492 2.416 -7.279 1.00 5.43 H new ATOM 0 HH21 ARG A 142 23.535 5.235 -6.467 1.00 25.21 H new ATOM 0 HH22 ARG A 142 25.031 4.354 -6.143 1.00 25.21 H new ATOM 1344 N ASN A 143 20.296 7.645 -12.028 1.00 25.22 N ATOM 1345 CA ASN A 143 20.447 8.634 -13.089 1.00 13.44 C ATOM 1346 C ASN A 143 20.296 10.049 -12.538 1.00 54.21 C ATOM 1347 O ASN A 143 21.115 10.924 -12.817 1.00 54.41 O ATOM 1348 CB ASN A 143 19.414 8.391 -14.191 1.00 43.23 C ATOM 1349 CG ASN A 143 20.037 8.378 -15.574 1.00 24.52 C ATOM 1350 OD1 ASN A 143 19.699 9.198 -16.427 1.00 61.54 O ATOM 1351 ND2 ASN A 143 20.953 7.443 -15.801 1.00 30.23 N ATOM 0 H ASN A 143 19.446 7.748 -11.473 1.00 25.22 H new ATOM 0 HA ASN A 143 21.448 8.531 -13.509 1.00 13.44 H new ATOM 0 HB2 ASN A 143 18.913 7.440 -14.012 1.00 43.23 H new ATOM 0 HB3 ASN A 143 18.650 9.167 -14.147 1.00 43.23 H new ATOM 0 HD21 ASN A 143 21.407 7.385 -16.712 1.00 30.23 H new ATOM 0 HD22 ASN A 143 21.202 6.784 -15.064 1.00 30.23 H new ATOM 1358 N GLN A 144 19.244 10.264 -11.755 1.00 14.32 N ATOM 1359 CA GLN A 144 18.986 11.573 -11.165 1.00 74.23 C ATOM 1360 C GLN A 144 18.762 11.458 -9.661 1.00 61.31 C ATOM 1361 O GLN A 144 18.955 10.392 -9.076 1.00 2.42 O ATOM 1362 CB GLN A 144 17.768 12.222 -11.826 1.00 20.14 C ATOM 1363 CG GLN A 144 18.084 13.530 -12.533 1.00 25.22 C ATOM 1364 CD GLN A 144 17.066 13.878 -13.600 1.00 35.40 C ATOM 1365 OE1 GLN A 144 16.863 13.122 -14.551 1.00 50.10 O ATOM 1366 NE2 GLN A 144 16.417 15.026 -13.448 1.00 1.42 N ATOM 0 H GLN A 144 18.557 9.550 -11.514 1.00 14.32 H new ATOM 0 HA GLN A 144 19.861 12.200 -11.336 1.00 74.23 H new ATOM 0 HB2 GLN A 144 17.341 11.524 -12.546 1.00 20.14 H new ATOM 0 HB3 GLN A 144 17.007 12.404 -11.067 1.00 20.14 H new ATOM 0 HG2 GLN A 144 18.124 14.335 -11.799 1.00 25.22 H new ATOM 0 HG3 GLN A 144 19.072 13.463 -12.988 1.00 25.22 H new ATOM 0 HE21 GLN A 144 16.617 15.622 -12.645 1.00 1.42 H new ATOM 0 HE22 GLN A 144 15.719 15.312 -14.134 1.00 1.42 H new ATOM 1375 N GLN A 145 18.355 12.561 -9.042 1.00 52.12 N ATOM 1376 CA GLN A 145 18.106 12.583 -7.606 1.00 3.15 C ATOM 1377 C GLN A 145 16.610 12.580 -7.312 1.00 12.32 C ATOM 1378 O GLN A 145 15.951 13.618 -7.384 1.00 45.42 O ATOM 1379 CB GLN A 145 18.760 13.813 -6.972 1.00 61.44 C ATOM 1380 CG GLN A 145 20.220 13.604 -6.605 1.00 23.22 C ATOM 1381 CD GLN A 145 20.831 14.816 -5.929 1.00 62.34 C ATOM 1382 OE1 GLN A 145 20.459 15.954 -6.216 1.00 61.02 O ATOM 1383 NE2 GLN A 145 21.775 14.578 -5.026 1.00 72.51 N ATOM 0 H GLN A 145 18.191 13.451 -9.512 1.00 52.12 H new ATOM 0 HA GLN A 145 18.544 11.683 -7.174 1.00 3.15 H new ATOM 0 HB2 GLN A 145 18.684 14.652 -7.664 1.00 61.44 H new ATOM 0 HB3 GLN A 145 18.204 14.088 -6.076 1.00 61.44 H new ATOM 0 HG2 GLN A 145 20.305 12.742 -5.943 1.00 23.22 H new ATOM 0 HG3 GLN A 145 20.787 13.371 -7.506 1.00 23.22 H new ATOM 0 HE21 GLN A 145 22.053 13.619 -4.819 1.00 72.51 H new ATOM 0 HE22 GLN A 145 22.223 15.355 -4.539 1.00 72.51 H new ATOM 1392 N ILE A 146 16.079 11.408 -6.981 1.00 1.02 N ATOM 1393 CA ILE A 146 14.660 11.271 -6.676 1.00 4.24 C ATOM 1394 C ILE A 146 14.447 10.437 -5.417 1.00 52.11 C ATOM 1395 O ILE A 146 15.318 9.666 -5.015 1.00 4.21 O ATOM 1396 CB ILE A 146 13.893 10.624 -7.843 1.00 62.45 C ATOM 1397 CG1 ILE A 146 13.916 11.541 -9.068 1.00 71.41 C ATOM 1398 CG2 ILE A 146 12.461 10.317 -7.431 1.00 62.12 C ATOM 1399 CD1 ILE A 146 13.479 10.856 -10.344 1.00 34.20 C ATOM 0 H ILE A 146 16.610 10.539 -6.917 1.00 1.02 H new ATOM 0 HA ILE A 146 14.274 12.277 -6.512 1.00 4.24 H new ATOM 0 HB ILE A 146 14.383 9.687 -8.105 1.00 62.45 H new ATOM 0 HG12 ILE A 146 13.266 12.396 -8.884 1.00 71.41 H new ATOM 0 HG13 ILE A 146 14.925 11.930 -9.201 1.00 71.41 H new ATOM 0 HG21 ILE A 146 11.932 9.860 -8.267 1.00 62.12 H new ATOM 0 HG22 ILE A 146 12.465 9.630 -6.585 1.00 62.12 H new ATOM 0 HG23 ILE A 146 11.959 11.241 -7.145 1.00 62.12 H new ATOM 0 HD11 ILE A 146 13.520 11.566 -11.170 1.00 34.20 H new ATOM 0 HD12 ILE A 146 14.143 10.017 -10.553 1.00 34.20 H new ATOM 0 HD13 ILE A 146 12.458 10.491 -10.230 1.00 34.20 H new ATOM 1411 N PHE A 147 13.281 10.595 -4.800 1.00 15.21 N ATOM 1412 CA PHE A 147 12.951 9.856 -3.587 1.00 21.11 C ATOM 1413 C PHE A 147 11.751 8.942 -3.816 1.00 70.21 C ATOM 1414 O PHE A 147 10.940 9.176 -4.713 1.00 70.11 O ATOM 1415 CB PHE A 147 12.658 10.823 -2.438 1.00 54.55 C ATOM 1416 CG PHE A 147 13.823 11.702 -2.082 1.00 73.20 C ATOM 1417 CD1 PHE A 147 15.080 11.158 -1.876 1.00 61.42 C ATOM 1418 CD2 PHE A 147 13.660 13.072 -1.952 1.00 62.32 C ATOM 1419 CE1 PHE A 147 16.155 11.963 -1.548 1.00 55.04 C ATOM 1420 CE2 PHE A 147 14.731 13.882 -1.625 1.00 51.11 C ATOM 1421 CZ PHE A 147 15.979 13.327 -1.422 1.00 3.03 C ATOM 0 H PHE A 147 12.548 11.228 -5.120 1.00 15.21 H new ATOM 0 HA PHE A 147 13.810 9.239 -3.323 1.00 21.11 H new ATOM 0 HB2 PHE A 147 11.809 11.451 -2.710 1.00 54.55 H new ATOM 0 HB3 PHE A 147 12.363 10.251 -1.559 1.00 54.55 H new ATOM 0 HD1 PHE A 147 15.222 10.092 -1.973 1.00 61.42 H new ATOM 0 HD2 PHE A 147 12.686 13.511 -2.108 1.00 62.32 H new ATOM 0 HE1 PHE A 147 17.130 11.526 -1.391 1.00 55.04 H new ATOM 0 HE2 PHE A 147 14.592 14.949 -1.528 1.00 51.11 H new ATOM 0 HZ PHE A 147 16.816 13.959 -1.165 1.00 3.03 H new ATOM 1431 N LEU A 148 11.645 7.899 -3.000 1.00 14.44 N ATOM 1432 CA LEU A 148 10.544 6.948 -3.112 1.00 42.42 C ATOM 1433 C LEU A 148 9.271 7.513 -2.491 1.00 32.13 C ATOM 1434 O LEU A 148 9.183 7.680 -1.274 1.00 63.30 O ATOM 1435 CB LEU A 148 10.914 5.628 -2.435 1.00 20.24 C ATOM 1436 CG LEU A 148 10.426 4.357 -3.131 1.00 23.43 C ATOM 1437 CD1 LEU A 148 11.435 3.898 -4.172 1.00 70.13 C ATOM 1438 CD2 LEU A 148 10.171 3.255 -2.112 1.00 54.40 C ATOM 0 H LEU A 148 12.308 7.690 -2.253 1.00 14.44 H new ATOM 0 HA LEU A 148 10.359 6.766 -4.171 1.00 42.42 H new ATOM 0 HB2 LEU A 148 12.000 5.578 -2.350 1.00 20.24 H new ATOM 0 HB3 LEU A 148 10.515 5.639 -1.421 1.00 20.24 H new ATOM 0 HG LEU A 148 9.487 4.581 -3.638 1.00 23.43 H new ATOM 0 HD11 LEU A 148 11.071 2.992 -4.657 1.00 70.13 H new ATOM 0 HD12 LEU A 148 11.569 4.681 -4.919 1.00 70.13 H new ATOM 0 HD13 LEU A 148 12.389 3.692 -3.687 1.00 70.13 H new ATOM 0 HD21 LEU A 148 9.824 2.358 -2.625 1.00 54.40 H new ATOM 0 HD22 LEU A 148 11.095 3.033 -1.577 1.00 54.40 H new ATOM 0 HD23 LEU A 148 9.411 3.584 -1.403 1.00 54.40 H new ATOM 1450 N ARG A 149 8.285 7.803 -3.334 1.00 3.22 N ATOM 1451 CA ARG A 149 7.016 8.348 -2.867 1.00 21.20 C ATOM 1452 C ARG A 149 6.032 7.229 -2.539 1.00 71.31 C ATOM 1453 O ARG A 149 5.956 6.227 -3.250 1.00 64.25 O ATOM 1454 CB ARG A 149 6.415 9.276 -3.924 1.00 44.12 C ATOM 1455 CG ARG A 149 7.157 10.595 -4.069 1.00 65.32 C ATOM 1456 CD ARG A 149 6.606 11.651 -3.125 1.00 10.14 C ATOM 1457 NE ARG A 149 6.638 12.986 -3.717 1.00 24.41 N ATOM 1458 CZ ARG A 149 7.725 13.748 -3.751 1.00 4.41 C ATOM 1459 NH1 ARG A 149 8.863 13.310 -3.230 1.00 1.53 N ATOM 1460 NH2 ARG A 149 7.676 14.952 -4.308 1.00 32.23 N ATOM 0 H ARG A 149 8.341 7.670 -4.344 1.00 3.22 H new ATOM 0 HA ARG A 149 7.207 8.919 -1.958 1.00 21.20 H new ATOM 0 HB2 ARG A 149 6.411 8.763 -4.886 1.00 44.12 H new ATOM 0 HB3 ARG A 149 5.375 9.480 -3.668 1.00 44.12 H new ATOM 0 HG2 ARG A 149 8.217 10.442 -3.866 1.00 65.32 H new ATOM 0 HG3 ARG A 149 7.077 10.947 -5.097 1.00 65.32 H new ATOM 0 HD2 ARG A 149 5.580 11.398 -2.857 1.00 10.14 H new ATOM 0 HD3 ARG A 149 7.186 11.650 -2.202 1.00 10.14 H new ATOM 0 HE ARG A 149 5.779 13.353 -4.126 1.00 24.41 H new ATOM 0 HH11 ARG A 149 8.905 12.385 -2.802 1.00 1.53 H new ATOM 0 HH12 ARG A 149 9.696 13.898 -3.258 1.00 1.53 H new ATOM 0 HH21 ARG A 149 6.803 15.293 -4.710 1.00 32.23 H new ATOM 0 HH22 ARG A 149 8.512 15.536 -4.334 1.00 32.23 H new ATOM 1474 N ASP A 150 5.281 7.407 -1.458 1.00 32.41 N ATOM 1475 CA ASP A 150 4.301 6.412 -1.036 1.00 10.53 C ATOM 1476 C ASP A 150 3.056 6.469 -1.915 1.00 71.14 C ATOM 1477 O ASP A 150 2.342 7.472 -1.933 1.00 34.30 O ATOM 1478 CB ASP A 150 3.917 6.634 0.428 1.00 32.41 C ATOM 1479 CG ASP A 150 4.009 8.091 0.837 1.00 32.51 C ATOM 1480 OD1 ASP A 150 2.999 8.811 0.696 1.00 32.22 O ATOM 1481 OD2 ASP A 150 5.091 8.511 1.297 1.00 23.34 O ATOM 0 H ASP A 150 5.332 8.230 -0.858 1.00 32.41 H new ATOM 0 HA ASP A 150 4.753 5.425 -1.140 1.00 10.53 H new ATOM 0 HB2 ASP A 150 2.900 6.277 0.592 1.00 32.41 H new ATOM 0 HB3 ASP A 150 4.570 6.039 1.066 1.00 32.41 H new ATOM 1486 N ILE A 151 2.803 5.387 -2.644 1.00 42.02 N ATOM 1487 CA ILE A 151 1.645 5.314 -3.526 1.00 12.02 C ATOM 1488 C ILE A 151 0.345 5.363 -2.730 1.00 54.15 C ATOM 1489 O ILE A 151 0.295 4.935 -1.578 1.00 12.32 O ATOM 1490 CB ILE A 151 1.665 4.030 -4.377 1.00 12.44 C ATOM 1491 CG1 ILE A 151 0.879 4.239 -5.673 1.00 13.14 C ATOM 1492 CG2 ILE A 151 1.094 2.862 -3.587 1.00 12.35 C ATOM 1493 CD1 ILE A 151 0.835 3.013 -6.557 1.00 31.41 C ATOM 0 H ILE A 151 3.385 4.549 -2.641 1.00 42.02 H new ATOM 0 HA ILE A 151 1.697 6.179 -4.188 1.00 12.02 H new ATOM 0 HB ILE A 151 2.698 3.798 -4.634 1.00 12.44 H new ATOM 0 HG12 ILE A 151 -0.140 4.536 -5.426 1.00 13.14 H new ATOM 0 HG13 ILE A 151 1.325 5.063 -6.230 1.00 13.14 H new ATOM 0 HG21 ILE A 151 1.115 1.962 -4.202 1.00 12.35 H new ATOM 0 HG22 ILE A 151 1.692 2.703 -2.690 1.00 12.35 H new ATOM 0 HG23 ILE A 151 0.065 3.083 -3.303 1.00 12.35 H new ATOM 0 HD11 ILE A 151 0.262 3.234 -7.457 1.00 31.41 H new ATOM 0 HD12 ILE A 151 1.850 2.728 -6.834 1.00 31.41 H new ATOM 0 HD13 ILE A 151 0.362 2.192 -6.018 1.00 31.41 H new ATOM 1505 N GLU A 152 -0.706 5.886 -3.355 1.00 43.04 N ATOM 1506 CA GLU A 152 -2.007 5.990 -2.705 1.00 61.43 C ATOM 1507 C GLU A 152 -2.781 4.680 -2.826 1.00 54.45 C ATOM 1508 O GLU A 152 -3.646 4.537 -3.691 1.00 3.13 O ATOM 1509 CB GLU A 152 -2.818 7.133 -3.318 1.00 11.43 C ATOM 1510 CG GLU A 152 -2.843 8.388 -2.461 1.00 52.34 C ATOM 1511 CD GLU A 152 -4.250 8.901 -2.218 1.00 65.34 C ATOM 1512 OE1 GLU A 152 -5.091 8.115 -1.734 1.00 1.35 O ATOM 1513 OE2 GLU A 152 -4.509 10.086 -2.513 1.00 41.11 O ATOM 0 H GLU A 152 -0.682 6.244 -4.310 1.00 43.04 H new ATOM 0 HA GLU A 152 -1.841 6.198 -1.648 1.00 61.43 H new ATOM 0 HB2 GLU A 152 -2.403 7.379 -4.295 1.00 11.43 H new ATOM 0 HB3 GLU A 152 -3.841 6.794 -3.482 1.00 11.43 H new ATOM 0 HG2 GLU A 152 -2.366 8.179 -1.503 1.00 52.34 H new ATOM 0 HG3 GLU A 152 -2.255 9.167 -2.947 1.00 52.34 H new ATOM 1520 N GLN A 153 -2.464 3.729 -1.954 1.00 63.15 N ATOM 1521 CA GLN A 153 -3.129 2.431 -1.965 1.00 4.34 C ATOM 1522 C GLN A 153 -4.645 2.596 -1.941 1.00 44.13 C ATOM 1523 O GLN A 153 -5.173 3.477 -1.262 1.00 73.44 O ATOM 1524 CB GLN A 153 -2.676 1.593 -0.767 1.00 53.54 C ATOM 1525 CG GLN A 153 -2.455 0.127 -1.100 1.00 63.21 C ATOM 1526 CD GLN A 153 -3.249 -0.802 -0.202 1.00 45.34 C ATOM 1527 OE1 GLN A 153 -3.291 -0.621 1.015 1.00 50.12 O ATOM 1528 NE2 GLN A 153 -3.884 -1.803 -0.800 1.00 25.32 N ATOM 0 H GLN A 153 -1.752 3.832 -1.231 1.00 63.15 H new ATOM 0 HA GLN A 153 -2.853 1.916 -2.885 1.00 4.34 H new ATOM 0 HB2 GLN A 153 -1.750 2.011 -0.371 1.00 53.54 H new ATOM 0 HB3 GLN A 153 -3.423 1.669 0.023 1.00 53.54 H new ATOM 0 HG2 GLN A 153 -2.734 -0.052 -2.138 1.00 63.21 H new ATOM 0 HG3 GLN A 153 -1.394 -0.106 -1.010 1.00 63.21 H new ATOM 0 HE21 GLN A 153 -3.821 -1.915 -1.812 1.00 25.32 H new ATOM 0 HE22 GLN A 153 -4.435 -2.460 -0.247 1.00 25.32 H new