USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=18 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 127 SER OG : rot 14:sc= 0.81 USER MOD Set 1.2: A 129 ASN :FLIP amide:sc= 1.15 F(o=0.083,f=2) USER MOD Set 2.1: A 73 MET CE :methyl 175:sc= 0 (180deg=-0.02) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.1! C(o=-1.1!,f=-2.4!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.606 F(o=-1.9!,f=-0.61) USER MOD Single : A 88 SER OG : rot -140:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 150:sc= 0.201 USER MOD Single : A 98 SER OG : rot -170:sc= -0.178 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.428 K(o=-0.43,f=-3.3!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.159 F(o=-1.1,f=-0.16) 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 -69:sc= 0.435! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= -0.359 K(o=-0.36,f=-1.8!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 91:sc= 0.552 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 124:sc= 0.494 USER MOD Single : A 143 ASN : amide:sc= -0.0059 X(o=-0.0059,f=0) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 GLN : amide:sc= 0.989 K(o=0.99,f=-0.0086) USER MOD Single : A 153 GLN :FLIP amide:sc= 0.564 F(o=-0.23,f=0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 0.834 -1.862 -1.056 1.00 4.52 N ATOM 2 CA TRP A 60 2.114 -2.289 -0.501 1.00 12.23 C ATOM 3 C TRP A 60 2.651 -3.506 -1.245 1.00 73.31 C ATOM 4 O TRP A 60 3.631 -3.412 -1.984 1.00 53.22 O ATOM 5 CB TRP A 60 1.966 -2.610 0.987 1.00 12.24 C ATOM 6 CG TRP A 60 3.242 -2.455 1.758 1.00 31.51 C ATOM 7 CD1 TRP A 60 3.512 -1.523 2.718 1.00 13.44 C ATOM 8 CD2 TRP A 60 4.422 -3.257 1.632 1.00 54.13 C ATOM 9 NE1 TRP A 60 4.788 -1.696 3.197 1.00 42.25 N ATOM 10 CE2 TRP A 60 5.367 -2.754 2.547 1.00 40.32 C ATOM 11 CE3 TRP A 60 4.771 -4.352 0.836 1.00 14.45 C ATOM 12 CZ2 TRP A 60 6.637 -3.308 2.685 1.00 33.02 C ATOM 13 CZ3 TRP A 60 6.031 -4.900 0.975 1.00 62.42 C ATOM 14 CH2 TRP A 60 6.952 -4.379 1.894 1.00 74.02 C ATOM 0 HA TRP A 60 2.825 -1.471 -0.620 1.00 12.23 H new ATOM 0 HB2 TRP A 60 1.208 -1.957 1.419 1.00 12.24 H new ATOM 0 HB3 TRP A 60 1.606 -3.633 1.097 1.00 12.24 H new ATOM 0 HD1 TRP A 60 2.823 -0.761 3.052 1.00 13.44 H new ATOM 0 HE1 TRP A 60 5.232 -1.129 3.919 1.00 42.25 H new ATOM 0 HE3 TRP A 60 4.068 -4.762 0.126 1.00 14.45 H new ATOM 0 HZ2 TRP A 60 7.348 -2.906 3.392 1.00 33.02 H new ATOM 0 HZ3 TRP A 60 6.312 -5.745 0.364 1.00 62.42 H new ATOM 0 HH2 TRP A 60 7.929 -4.832 1.979 1.00 74.02 H new ATOM 25 N PHE A 61 2.003 -4.649 -1.046 1.00 31.51 N ATOM 26 CA PHE A 61 2.417 -5.886 -1.698 1.00 75.33 C ATOM 27 C PHE A 61 1.267 -6.488 -2.501 1.00 61.42 C ATOM 28 O PHE A 61 0.097 -6.303 -2.166 1.00 31.20 O ATOM 29 CB PHE A 61 2.911 -6.895 -0.660 1.00 3.04 C ATOM 30 CG PHE A 61 2.725 -8.326 -1.077 1.00 54.30 C ATOM 31 CD1 PHE A 61 3.369 -8.824 -2.197 1.00 65.15 C ATOM 32 CD2 PHE A 61 1.904 -9.172 -0.349 1.00 52.01 C ATOM 33 CE1 PHE A 61 3.200 -10.140 -2.584 1.00 61.31 C ATOM 34 CE2 PHE A 61 1.731 -10.489 -0.731 1.00 20.14 C ATOM 35 CZ PHE A 61 2.379 -10.974 -1.850 1.00 51.51 C ATOM 0 H PHE A 61 1.189 -4.744 -0.439 1.00 31.51 H new ATOM 0 HA PHE A 61 3.232 -5.651 -2.382 1.00 75.33 H new ATOM 0 HB2 PHE A 61 3.969 -6.716 -0.466 1.00 3.04 H new ATOM 0 HB3 PHE A 61 2.382 -6.727 0.278 1.00 3.04 H new ATOM 0 HD1 PHE A 61 4.011 -8.176 -2.775 1.00 65.15 H new ATOM 0 HD2 PHE A 61 1.394 -8.798 0.526 1.00 52.01 H new ATOM 0 HE1 PHE A 61 3.709 -10.516 -3.459 1.00 61.31 H new ATOM 0 HE2 PHE A 61 1.089 -11.139 -0.155 1.00 20.14 H new ATOM 0 HZ PHE A 61 2.244 -12.003 -2.150 1.00 51.51 H new ATOM 45 N PHE A 62 1.609 -7.210 -3.564 1.00 4.45 N ATOM 46 CA PHE A 62 0.607 -7.838 -4.416 1.00 61.21 C ATOM 47 C PHE A 62 0.982 -9.286 -4.720 1.00 11.14 C ATOM 48 O PHE A 62 2.146 -9.599 -4.964 1.00 23.13 O ATOM 49 CB PHE A 62 0.453 -7.055 -5.721 1.00 45.14 C ATOM 50 CG PHE A 62 -0.319 -5.776 -5.566 1.00 22.12 C ATOM 51 CD1 PHE A 62 0.176 -4.743 -4.786 1.00 73.11 C ATOM 52 CD2 PHE A 62 -1.540 -5.607 -6.199 1.00 22.31 C ATOM 53 CE1 PHE A 62 -0.532 -3.565 -4.641 1.00 53.21 C ATOM 54 CE2 PHE A 62 -2.252 -4.431 -6.058 1.00 20.31 C ATOM 55 CZ PHE A 62 -1.748 -3.409 -5.277 1.00 73.31 C ATOM 0 H PHE A 62 2.573 -7.374 -3.855 1.00 4.45 H new ATOM 0 HA PHE A 62 -0.343 -7.831 -3.882 1.00 61.21 H new ATOM 0 HB2 PHE A 62 1.442 -6.827 -6.117 1.00 45.14 H new ATOM 0 HB3 PHE A 62 -0.047 -7.685 -6.456 1.00 45.14 H new ATOM 0 HD1 PHE A 62 1.126 -4.860 -4.286 1.00 73.11 H new ATOM 0 HD2 PHE A 62 -1.940 -6.403 -6.809 1.00 22.31 H new ATOM 0 HE1 PHE A 62 -0.135 -2.767 -4.031 1.00 53.21 H new ATOM 0 HE2 PHE A 62 -3.202 -4.311 -6.558 1.00 20.31 H new ATOM 0 HZ PHE A 62 -2.304 -2.490 -5.164 1.00 73.31 H new ATOM 65 N GLY A 63 -0.015 -10.165 -4.702 1.00 31.43 N ATOM 66 CA GLY A 63 0.229 -11.569 -4.976 1.00 22.54 C ATOM 67 C GLY A 63 0.137 -11.897 -6.453 1.00 3.52 C ATOM 68 O GLY A 63 -0.939 -11.825 -7.047 1.00 21.43 O ATOM 0 H GLY A 63 -0.987 -9.930 -4.503 1.00 31.43 H new ATOM 0 HA2 GLY A 63 1.218 -11.841 -4.608 1.00 22.54 H new ATOM 0 HA3 GLY A 63 -0.493 -12.174 -4.427 1.00 22.54 H new ATOM 72 N LYS A 64 1.269 -12.255 -7.049 1.00 42.24 N ATOM 73 CA LYS A 64 1.314 -12.594 -8.467 1.00 15.12 C ATOM 74 C LYS A 64 0.520 -11.586 -9.292 1.00 73.43 C ATOM 75 O LYS A 64 -0.699 -11.701 -9.423 1.00 14.51 O ATOM 76 CB LYS A 64 0.761 -14.003 -8.693 1.00 13.12 C ATOM 77 CG LYS A 64 1.717 -15.106 -8.273 1.00 52.14 C ATOM 78 CD LYS A 64 1.935 -15.113 -6.770 1.00 35.34 C ATOM 79 CE LYS A 64 0.628 -15.321 -6.018 1.00 43.33 C ATOM 80 NZ LYS A 64 0.859 -15.795 -4.626 1.00 33.52 N ATOM 0 H LYS A 64 2.168 -12.318 -6.572 1.00 42.24 H new ATOM 0 HA LYS A 64 2.354 -12.563 -8.790 1.00 15.12 H new ATOM 0 HB2 LYS A 64 -0.171 -14.111 -8.139 1.00 13.12 H new ATOM 0 HB3 LYS A 64 0.520 -14.125 -9.749 1.00 13.12 H new ATOM 0 HG2 LYS A 64 1.321 -16.071 -8.589 1.00 52.14 H new ATOM 0 HG3 LYS A 64 2.673 -14.972 -8.779 1.00 52.14 H new ATOM 0 HD2 LYS A 64 2.637 -15.904 -6.507 1.00 35.34 H new ATOM 0 HD3 LYS A 64 2.387 -14.170 -6.462 1.00 35.34 H new ATOM 0 HE2 LYS A 64 0.069 -14.385 -5.995 1.00 43.33 H new ATOM 0 HE3 LYS A 64 0.013 -16.046 -6.551 1.00 43.33 H new ATOM 0 HZ1 LYS A 64 -0.055 -15.925 -4.147 1.00 33.52 H new ATOM 0 HZ2 LYS A 64 1.370 -16.701 -4.648 1.00 33.52 H new ATOM 0 HZ3 LYS A 64 1.424 -15.091 -4.109 1.00 33.52 H new ATOM 94 N ILE A 65 1.218 -10.602 -9.848 1.00 64.30 N ATOM 95 CA ILE A 65 0.578 -9.577 -10.663 1.00 22.22 C ATOM 96 C ILE A 65 1.488 -9.135 -11.804 1.00 54.12 C ATOM 97 O ILE A 65 2.686 -8.918 -11.627 1.00 45.44 O ATOM 98 CB ILE A 65 0.195 -8.346 -9.820 1.00 62.22 C ATOM 99 CG1 ILE A 65 1.416 -7.818 -9.065 1.00 23.25 C ATOM 100 CG2 ILE A 65 -0.924 -8.695 -8.851 1.00 32.52 C ATOM 101 CD1 ILE A 65 1.930 -6.498 -9.594 1.00 44.14 C ATOM 0 H ILE A 65 2.227 -10.493 -9.749 1.00 64.30 H new ATOM 0 HA ILE A 65 -0.328 -10.021 -11.075 1.00 22.22 H new ATOM 0 HB ILE A 65 -0.162 -7.563 -10.489 1.00 62.22 H new ATOM 0 HG12 ILE A 65 1.160 -7.703 -8.012 1.00 23.25 H new ATOM 0 HG13 ILE A 65 2.215 -8.558 -9.120 1.00 23.25 H new ATOM 0 HG21 ILE A 65 -1.183 -7.815 -8.263 1.00 32.52 H new ATOM 0 HG22 ILE A 65 -1.798 -9.028 -9.410 1.00 32.52 H new ATOM 0 HG23 ILE A 65 -0.593 -9.492 -8.185 1.00 32.52 H new ATOM 0 HD11 ILE A 65 2.796 -6.185 -9.011 1.00 44.14 H new ATOM 0 HD12 ILE A 65 2.218 -6.612 -10.639 1.00 44.14 H new ATOM 0 HD13 ILE A 65 1.147 -5.744 -9.514 1.00 44.14 H new ATOM 113 N PRO A 66 0.905 -8.996 -13.005 1.00 25.13 N ATOM 114 CA PRO A 66 1.644 -8.576 -14.199 1.00 4.11 C ATOM 115 C PRO A 66 2.075 -7.115 -14.130 1.00 2.22 C ATOM 116 O PRO A 66 1.332 -6.261 -13.645 1.00 63.20 O ATOM 117 CB PRO A 66 0.636 -8.783 -15.331 1.00 54.04 C ATOM 118 CG PRO A 66 -0.698 -8.682 -14.674 1.00 64.52 C ATOM 119 CD PRO A 66 -0.519 -9.238 -13.288 1.00 70.24 C ATOM 0 HA PRO A 66 2.569 -9.139 -14.325 1.00 4.11 H new ATOM 0 HB2 PRO A 66 0.753 -8.028 -16.108 1.00 54.04 H new ATOM 0 HB3 PRO A 66 0.770 -9.754 -15.808 1.00 54.04 H new ATOM 0 HG2 PRO A 66 -1.038 -7.647 -14.639 1.00 64.52 H new ATOM 0 HG3 PRO A 66 -1.449 -9.246 -15.227 1.00 64.52 H new ATOM 0 HD2 PRO A 66 -1.163 -8.735 -12.567 1.00 70.24 H new ATOM 0 HD3 PRO A 66 -0.762 -10.300 -13.246 1.00 70.24 H new ATOM 127 N ARG A 67 3.279 -6.834 -14.618 1.00 10.21 N ATOM 128 CA ARG A 67 3.808 -5.475 -14.611 1.00 24.55 C ATOM 129 C ARG A 67 2.718 -4.465 -14.954 1.00 32.02 C ATOM 130 O ARG A 67 2.695 -3.356 -14.421 1.00 45.00 O ATOM 131 CB ARG A 67 4.965 -5.351 -15.604 1.00 0.20 C ATOM 132 CG ARG A 67 4.773 -6.171 -16.869 1.00 34.11 C ATOM 133 CD ARG A 67 5.842 -7.244 -17.005 1.00 52.23 C ATOM 134 NE ARG A 67 7.165 -6.748 -16.636 1.00 32.04 N ATOM 135 CZ ARG A 67 7.870 -5.907 -17.384 1.00 21.20 C ATOM 136 NH1 ARG A 67 7.381 -5.470 -18.536 1.00 62.44 N ATOM 137 NH2 ARG A 67 9.067 -5.501 -16.980 1.00 31.23 N ATOM 0 H ARG A 67 3.906 -7.529 -15.023 1.00 10.21 H new ATOM 0 HA ARG A 67 4.175 -5.260 -13.607 1.00 24.55 H new ATOM 0 HB2 ARG A 67 5.088 -4.303 -15.876 1.00 0.20 H new ATOM 0 HB3 ARG A 67 5.887 -5.664 -15.115 1.00 0.20 H new ATOM 0 HG2 ARG A 67 3.788 -6.637 -16.856 1.00 34.11 H new ATOM 0 HG3 ARG A 67 4.803 -5.514 -17.738 1.00 34.11 H new ATOM 0 HD2 ARG A 67 5.585 -8.094 -16.374 1.00 52.23 H new ATOM 0 HD3 ARG A 67 5.864 -7.606 -18.033 1.00 52.23 H new ATOM 0 HE ARG A 67 7.570 -7.065 -15.755 1.00 32.04 H new ATOM 0 HH11 ARG A 67 6.461 -5.780 -18.850 1.00 62.44 H new ATOM 0 HH12 ARG A 67 7.925 -4.824 -19.109 1.00 62.44 H new ATOM 0 HH21 ARG A 67 9.447 -5.835 -16.094 1.00 31.23 H new ATOM 0 HH22 ARG A 67 9.607 -4.855 -17.555 1.00 31.23 H new ATOM 151 N ALA A 68 1.815 -4.857 -15.847 1.00 45.35 N ATOM 152 CA ALA A 68 0.722 -3.986 -16.261 1.00 33.34 C ATOM 153 C ALA A 68 -0.158 -3.610 -15.074 1.00 15.43 C ATOM 154 O ALA A 68 -0.472 -2.437 -14.867 1.00 4.01 O ATOM 155 CB ALA A 68 -0.109 -4.660 -17.343 1.00 43.12 C ATOM 0 H ALA A 68 1.819 -5.772 -16.298 1.00 45.35 H new ATOM 0 HA ALA A 68 1.153 -3.070 -16.666 1.00 33.34 H new ATOM 0 HB1 ALA A 68 -0.922 -3.998 -17.643 1.00 43.12 H new ATOM 0 HB2 ALA A 68 0.522 -4.874 -18.206 1.00 43.12 H new ATOM 0 HB3 ALA A 68 -0.523 -5.591 -16.957 1.00 43.12 H new ATOM 161 N LYS A 69 -0.556 -4.611 -14.296 1.00 63.23 N ATOM 162 CA LYS A 69 -1.400 -4.386 -13.129 1.00 2.11 C ATOM 163 C LYS A 69 -0.733 -3.421 -12.154 1.00 13.14 C ATOM 164 O LYS A 69 -1.371 -2.501 -11.643 1.00 33.05 O ATOM 165 CB LYS A 69 -1.699 -5.712 -12.426 1.00 62.25 C ATOM 166 CG LYS A 69 -3.182 -5.986 -12.250 1.00 33.12 C ATOM 167 CD LYS A 69 -3.737 -6.813 -13.397 1.00 71.33 C ATOM 168 CE LYS A 69 -4.865 -7.722 -12.934 1.00 74.35 C ATOM 169 NZ LYS A 69 -6.193 -7.056 -13.038 1.00 41.42 N ATOM 0 H LYS A 69 -0.307 -5.588 -14.453 1.00 63.23 H new ATOM 0 HA LYS A 69 -2.336 -3.943 -13.469 1.00 2.11 H new ATOM 0 HB2 LYS A 69 -1.253 -6.526 -12.998 1.00 62.25 H new ATOM 0 HB3 LYS A 69 -1.220 -5.711 -11.447 1.00 62.25 H new ATOM 0 HG2 LYS A 69 -3.347 -6.511 -11.309 1.00 33.12 H new ATOM 0 HG3 LYS A 69 -3.722 -5.041 -12.187 1.00 33.12 H new ATOM 0 HD2 LYS A 69 -4.101 -6.150 -14.182 1.00 71.33 H new ATOM 0 HD3 LYS A 69 -2.939 -7.414 -13.833 1.00 71.33 H new ATOM 0 HE2 LYS A 69 -4.867 -8.632 -13.534 1.00 74.35 H new ATOM 0 HE3 LYS A 69 -4.689 -8.022 -11.901 1.00 74.35 H new ATOM 0 HZ1 LYS A 69 -6.935 -7.708 -12.713 1.00 41.42 H new ATOM 0 HZ2 LYS A 69 -6.200 -6.201 -12.446 1.00 41.42 H new ATOM 0 HZ3 LYS A 69 -6.373 -6.793 -14.028 1.00 41.42 H new ATOM 183 N ALA A 70 0.554 -3.636 -11.901 1.00 74.54 N ATOM 184 CA ALA A 70 1.307 -2.784 -10.990 1.00 52.44 C ATOM 185 C ALA A 70 1.270 -1.328 -11.444 1.00 34.22 C ATOM 186 O ALA A 70 0.880 -0.442 -10.684 1.00 22.20 O ATOM 187 CB ALA A 70 2.745 -3.268 -10.882 1.00 1.03 C ATOM 0 H ALA A 70 1.097 -4.394 -12.315 1.00 74.54 H new ATOM 0 HA ALA A 70 0.840 -2.843 -10.007 1.00 52.44 H new ATOM 0 HB1 ALA A 70 3.296 -2.622 -10.198 1.00 1.03 H new ATOM 0 HB2 ALA A 70 2.757 -4.291 -10.505 1.00 1.03 H new ATOM 0 HB3 ALA A 70 3.214 -3.239 -11.866 1.00 1.03 H new ATOM 193 N GLU A 71 1.678 -1.089 -12.686 1.00 71.53 N ATOM 194 CA GLU A 71 1.692 0.260 -13.239 1.00 61.20 C ATOM 195 C GLU A 71 0.342 0.942 -13.043 1.00 14.55 C ATOM 196 O GLU A 71 0.273 2.147 -12.802 1.00 43.32 O ATOM 197 CB GLU A 71 2.045 0.221 -14.727 1.00 53.45 C ATOM 198 CG GLU A 71 3.429 -0.338 -15.011 1.00 34.31 C ATOM 199 CD GLU A 71 3.643 -0.649 -16.479 1.00 74.35 C ATOM 200 OE1 GLU A 71 2.793 -1.350 -17.068 1.00 40.21 O ATOM 201 OE2 GLU A 71 4.661 -0.191 -17.040 1.00 75.40 O ATOM 0 H GLU A 71 2.003 -1.812 -13.328 1.00 71.53 H new ATOM 0 HA GLU A 71 2.450 0.835 -12.708 1.00 61.20 H new ATOM 0 HB2 GLU A 71 1.304 -0.382 -15.252 1.00 53.45 H new ATOM 0 HB3 GLU A 71 1.980 1.230 -15.134 1.00 53.45 H new ATOM 0 HG2 GLU A 71 4.181 0.379 -14.682 1.00 34.31 H new ATOM 0 HG3 GLU A 71 3.577 -1.246 -14.426 1.00 34.31 H new ATOM 208 N GLU A 72 -0.730 0.163 -13.147 1.00 60.34 N ATOM 209 CA GLU A 72 -2.079 0.692 -12.983 1.00 5.53 C ATOM 210 C GLU A 72 -2.324 1.115 -11.537 1.00 52.12 C ATOM 211 O GLU A 72 -2.831 2.206 -11.276 1.00 70.31 O ATOM 212 CB GLU A 72 -3.115 -0.351 -13.404 1.00 33.13 C ATOM 213 CG GLU A 72 -3.138 -0.618 -14.899 1.00 51.55 C ATOM 214 CD GLU A 72 -3.823 0.489 -15.679 1.00 22.53 C ATOM 215 OE1 GLU A 72 -5.033 0.707 -15.458 1.00 44.32 O ATOM 216 OE2 GLU A 72 -3.150 1.135 -16.508 1.00 61.24 O ATOM 0 H GLU A 72 -0.690 -0.837 -13.344 1.00 60.34 H new ATOM 0 HA GLU A 72 -2.178 1.569 -13.622 1.00 5.53 H new ATOM 0 HB2 GLU A 72 -2.911 -1.285 -12.880 1.00 33.13 H new ATOM 0 HB3 GLU A 72 -4.103 -0.017 -13.088 1.00 33.13 H new ATOM 0 HG2 GLU A 72 -2.116 -0.733 -15.260 1.00 51.55 H new ATOM 0 HG3 GLU A 72 -3.650 -1.561 -15.088 1.00 51.55 H new ATOM 223 N MET A 73 -1.962 0.243 -10.602 1.00 45.11 N ATOM 224 CA MET A 73 -2.142 0.526 -9.183 1.00 21.11 C ATOM 225 C MET A 73 -1.486 1.850 -8.805 1.00 1.12 C ATOM 226 O MET A 73 -1.979 2.574 -7.938 1.00 62.42 O ATOM 227 CB MET A 73 -1.556 -0.607 -8.337 1.00 55.50 C ATOM 228 CG MET A 73 -2.246 -1.944 -8.551 1.00 61.25 C ATOM 229 SD MET A 73 -4.026 -1.861 -8.274 1.00 44.30 S ATOM 230 CE MET A 73 -4.636 -1.979 -9.954 1.00 0.22 C ATOM 0 H MET A 73 -1.542 -0.665 -10.801 1.00 45.11 H new ATOM 0 HA MET A 73 -3.211 0.602 -8.986 1.00 21.11 H new ATOM 0 HB2 MET A 73 -0.496 -0.713 -8.570 1.00 55.50 H new ATOM 0 HB3 MET A 73 -1.625 -0.336 -7.283 1.00 55.50 H new ATOM 0 HG2 MET A 73 -2.056 -2.287 -9.568 1.00 61.25 H new ATOM 0 HG3 MET A 73 -1.812 -2.684 -7.879 1.00 61.25 H new ATOM 0 HE1 MET A 73 -5.725 -2.031 -9.943 1.00 0.22 H new ATOM 0 HE2 MET A 73 -4.320 -1.101 -10.518 1.00 0.22 H new ATOM 0 HE3 MET A 73 -4.235 -2.876 -10.425 1.00 0.22 H new ATOM 240 N LEU A 74 -0.372 2.162 -9.459 1.00 35.41 N ATOM 241 CA LEU A 74 0.351 3.399 -9.191 1.00 5.41 C ATOM 242 C LEU A 74 -0.258 4.565 -9.964 1.00 21.24 C ATOM 243 O LEU A 74 -0.546 5.617 -9.394 1.00 52.30 O ATOM 244 CB LEU A 74 1.827 3.241 -9.563 1.00 53.53 C ATOM 245 CG LEU A 74 2.489 1.930 -9.139 1.00 42.25 C ATOM 246 CD1 LEU A 74 3.770 1.701 -9.926 1.00 63.32 C ATOM 247 CD2 LEU A 74 2.773 1.935 -7.644 1.00 71.24 C ATOM 0 H LEU A 74 0.050 1.575 -10.179 1.00 35.41 H new ATOM 0 HA LEU A 74 0.272 3.613 -8.125 1.00 5.41 H new ATOM 0 HB2 LEU A 74 1.921 3.339 -10.645 1.00 53.53 H new ATOM 0 HB3 LEU A 74 2.383 4.066 -9.119 1.00 53.53 H new ATOM 0 HG LEU A 74 1.802 1.112 -9.355 1.00 42.25 H new ATOM 0 HD11 LEU A 74 4.228 0.763 -9.611 1.00 63.32 H new ATOM 0 HD12 LEU A 74 3.539 1.653 -10.990 1.00 63.32 H new ATOM 0 HD13 LEU A 74 4.462 2.523 -9.742 1.00 63.32 H new ATOM 0 HD21 LEU A 74 3.244 0.994 -7.360 1.00 71.24 H new ATOM 0 HD22 LEU A 74 3.441 2.762 -7.403 1.00 71.24 H new ATOM 0 HD23 LEU A 74 1.838 2.052 -7.096 1.00 71.24 H new ATOM 259 N SER A 75 -0.453 4.369 -11.264 1.00 32.53 N ATOM 260 CA SER A 75 -1.027 5.404 -12.115 1.00 72.33 C ATOM 261 C SER A 75 -2.348 5.908 -11.542 1.00 51.02 C ATOM 262 O SER A 75 -2.560 7.113 -11.405 1.00 5.21 O ATOM 263 CB SER A 75 -1.245 4.867 -13.531 1.00 65.52 C ATOM 264 OG SER A 75 -0.626 5.702 -14.494 1.00 52.22 O ATOM 0 H SER A 75 -0.222 3.503 -11.751 1.00 32.53 H new ATOM 0 HA SER A 75 -0.326 6.238 -12.154 1.00 72.33 H new ATOM 0 HB2 SER A 75 -0.841 3.858 -13.607 1.00 65.52 H new ATOM 0 HB3 SER A 75 -2.313 4.799 -13.737 1.00 65.52 H new ATOM 0 HG SER A 75 -0.778 5.336 -15.390 1.00 52.22 H new ATOM 270 N LYS A 76 -3.235 4.977 -11.209 1.00 31.42 N ATOM 271 CA LYS A 76 -4.536 5.324 -10.649 1.00 60.51 C ATOM 272 C LYS A 76 -4.389 6.336 -9.518 1.00 51.30 C ATOM 273 O LYS A 76 -5.287 7.142 -9.274 1.00 70.34 O ATOM 274 CB LYS A 76 -5.244 4.068 -10.135 1.00 52.11 C ATOM 275 CG LYS A 76 -4.569 3.440 -8.928 1.00 61.23 C ATOM 276 CD LYS A 76 -5.558 2.660 -8.079 1.00 32.40 C ATOM 277 CE LYS A 76 -5.443 1.163 -8.323 1.00 73.30 C ATOM 278 NZ LYS A 76 -6.732 0.460 -8.074 1.00 32.41 N ATOM 0 H LYS A 76 -3.077 3.975 -11.317 1.00 31.42 H new ATOM 0 HA LYS A 76 -5.136 5.774 -11.440 1.00 60.51 H new ATOM 0 HB2 LYS A 76 -6.272 4.321 -9.875 1.00 52.11 H new ATOM 0 HB3 LYS A 76 -5.290 3.333 -10.938 1.00 52.11 H new ATOM 0 HG2 LYS A 76 -3.771 2.776 -9.261 1.00 61.23 H new ATOM 0 HG3 LYS A 76 -4.104 4.219 -8.324 1.00 61.23 H new ATOM 0 HD2 LYS A 76 -5.381 2.873 -7.025 1.00 32.40 H new ATOM 0 HD3 LYS A 76 -6.572 2.990 -8.305 1.00 32.40 H new ATOM 0 HE2 LYS A 76 -5.125 0.986 -9.351 1.00 73.30 H new ATOM 0 HE3 LYS A 76 -4.672 0.748 -7.675 1.00 73.30 H new ATOM 0 HZ1 LYS A 76 -6.612 -0.558 -8.251 1.00 32.41 H new ATOM 0 HZ2 LYS A 76 -7.023 0.608 -7.086 1.00 32.41 H new ATOM 0 HZ3 LYS A 76 -7.462 0.838 -8.710 1.00 32.41 H new ATOM 292 N GLN A 77 -3.251 6.290 -8.832 1.00 74.14 N ATOM 293 CA GLN A 77 -2.988 7.205 -7.728 1.00 20.42 C ATOM 294 C GLN A 77 -2.866 8.640 -8.227 1.00 51.53 C ATOM 295 O GLN A 77 -3.006 8.907 -9.421 1.00 62.42 O ATOM 296 CB GLN A 77 -1.709 6.797 -6.994 1.00 51.03 C ATOM 297 CG GLN A 77 -1.673 5.328 -6.606 1.00 25.22 C ATOM 298 CD GLN A 77 -2.527 5.024 -5.391 1.00 74.23 C ATOM 299 OE1 GLN A 77 -3.033 5.932 -4.731 1.00 31.32 O ATOM 300 NE2 GLN A 77 -2.694 3.741 -5.090 1.00 41.32 N ATOM 0 H GLN A 77 -2.497 5.629 -9.021 1.00 74.14 H new ATOM 0 HA GLN A 77 -3.829 7.151 -7.036 1.00 20.42 H new ATOM 0 HB2 GLN A 77 -0.850 7.018 -7.628 1.00 51.03 H new ATOM 0 HB3 GLN A 77 -1.606 7.404 -6.095 1.00 51.03 H new ATOM 0 HG2 GLN A 77 -2.017 4.726 -7.447 1.00 25.22 H new ATOM 0 HG3 GLN A 77 -0.643 5.035 -6.404 1.00 25.22 H new ATOM 0 HE21 GLN A 77 -2.256 3.021 -5.665 1.00 41.32 H new ATOM 0 HE22 GLN A 77 -3.260 3.476 -4.284 1.00 41.32 H new ATOM 309 N ARG A 78 -2.605 9.562 -7.306 1.00 54.10 N ATOM 310 CA ARG A 78 -2.466 10.971 -7.653 1.00 14.30 C ATOM 311 C ARG A 78 -1.164 11.542 -7.100 1.00 23.54 C ATOM 312 O ARG A 78 -0.549 12.418 -7.709 1.00 20.33 O ATOM 313 CB ARG A 78 -3.655 11.771 -7.115 1.00 24.41 C ATOM 314 CG ARG A 78 -4.991 11.070 -7.294 1.00 33.40 C ATOM 315 CD ARG A 78 -5.427 11.065 -8.751 1.00 30.31 C ATOM 316 NE ARG A 78 -6.818 11.481 -8.908 1.00 31.24 N ATOM 317 CZ ARG A 78 -7.348 11.853 -10.067 1.00 44.45 C ATOM 318 NH1 ARG A 78 -6.606 11.861 -11.166 1.00 41.35 N ATOM 319 NH2 ARG A 78 -8.622 12.219 -10.130 1.00 23.32 N ATOM 0 H ARG A 78 -2.486 9.358 -6.314 1.00 54.10 H new ATOM 0 HA ARG A 78 -2.445 11.050 -8.740 1.00 14.30 H new ATOM 0 HB2 ARG A 78 -3.498 11.971 -6.055 1.00 24.41 H new ATOM 0 HB3 ARG A 78 -3.690 12.737 -7.619 1.00 24.41 H new ATOM 0 HG2 ARG A 78 -4.916 10.045 -6.932 1.00 33.40 H new ATOM 0 HG3 ARG A 78 -5.748 11.568 -6.688 1.00 33.40 H new ATOM 0 HD2 ARG A 78 -4.783 11.731 -9.324 1.00 30.31 H new ATOM 0 HD3 ARG A 78 -5.299 10.064 -9.164 1.00 30.31 H new ATOM 0 HE ARG A 78 -7.416 11.486 -8.081 1.00 31.24 H new ATOM 0 HH11 ARG A 78 -5.626 11.581 -11.122 1.00 41.35 H new ATOM 0 HH12 ARG A 78 -7.015 12.147 -12.055 1.00 41.35 H new ATOM 0 HH21 ARG A 78 -9.196 12.215 -9.287 1.00 23.32 H new ATOM 0 HH22 ARG A 78 -9.027 12.504 -11.022 1.00 23.32 H new ATOM 333 N HIS A 79 -0.748 11.039 -5.941 1.00 75.12 N ATOM 334 CA HIS A 79 0.481 11.498 -5.305 1.00 43.14 C ATOM 335 C HIS A 79 1.699 11.124 -6.145 1.00 3.02 C ATOM 336 O HIS A 79 1.567 10.694 -7.291 1.00 1.50 O ATOM 337 CB HIS A 79 0.610 10.900 -3.904 1.00 50.31 C ATOM 338 CG HIS A 79 -0.706 10.558 -3.276 1.00 22.31 C ATOM 339 ND1 HIS A 79 -1.918 11.151 -3.380 1.00 75.51 N flip ATOM 340 CD2 HIS A 79 -0.876 9.489 -2.422 1.00 42.32 C flip ATOM 341 CE1 HIS A 79 -2.790 10.437 -2.597 1.00 1.13 C flip ATOM 342 NE2 HIS A 79 -2.137 9.438 -2.030 1.00 20.55 N flip ATOM 0 H HIS A 79 -1.245 10.313 -5.424 1.00 75.12 H new ATOM 0 HA HIS A 79 0.436 12.584 -5.225 1.00 43.14 H new ATOM 0 HB2 HIS A 79 1.223 10.000 -3.957 1.00 50.31 H new ATOM 0 HB3 HIS A 79 1.136 11.607 -3.263 1.00 50.31 H new ATOM 0 HD2 HIS A 79 -0.100 8.801 -2.121 1.00 42.32 H new ATOM 0 HE1 HIS A 79 -3.839 10.656 -2.466 1.00 1.13 H new ATOM 0 HE2 HIS A 79 -2.538 8.745 -1.398 1.00 20.55 H new ATOM 350 N ASP A 80 2.884 11.291 -5.567 1.00 33.22 N ATOM 351 CA ASP A 80 4.125 10.970 -6.261 1.00 43.44 C ATOM 352 C ASP A 80 4.999 10.048 -5.416 1.00 55.51 C ATOM 353 O ASP A 80 5.320 10.360 -4.270 1.00 34.40 O ATOM 354 CB ASP A 80 4.891 12.251 -6.599 1.00 31.32 C ATOM 355 CG ASP A 80 3.979 13.359 -7.087 1.00 60.03 C ATOM 356 OD1 ASP A 80 2.937 13.044 -7.699 1.00 72.24 O ATOM 357 OD2 ASP A 80 4.307 14.541 -6.857 1.00 0.52 O ATOM 0 H ASP A 80 3.011 11.647 -4.620 1.00 33.22 H new ATOM 0 HA ASP A 80 3.871 10.452 -7.186 1.00 43.44 H new ATOM 0 HB2 ASP A 80 5.431 12.592 -5.716 1.00 31.32 H new ATOM 0 HB3 ASP A 80 5.636 12.034 -7.364 1.00 31.32 H new ATOM 362 N GLY A 81 5.379 8.911 -5.990 1.00 51.13 N ATOM 363 CA GLY A 81 6.210 7.961 -5.275 1.00 23.21 C ATOM 364 C GLY A 81 5.477 6.673 -4.957 1.00 14.02 C ATOM 365 O GLY A 81 5.881 5.924 -4.068 1.00 71.22 O ATOM 0 H GLY A 81 5.126 8.631 -6.938 1.00 51.13 H new ATOM 0 HA2 GLY A 81 7.093 7.735 -5.872 1.00 23.21 H new ATOM 0 HA3 GLY A 81 6.560 8.415 -4.348 1.00 23.21 H new ATOM 369 N ALA A 82 4.394 6.416 -5.683 1.00 72.22 N ATOM 370 CA ALA A 82 3.602 5.210 -5.474 1.00 23.21 C ATOM 371 C ALA A 82 4.447 3.957 -5.676 1.00 62.43 C ATOM 372 O ALA A 82 4.786 3.599 -6.805 1.00 15.40 O ATOM 373 CB ALA A 82 2.403 5.197 -6.410 1.00 32.22 C ATOM 0 H ALA A 82 4.045 7.027 -6.421 1.00 72.22 H new ATOM 0 HA ALA A 82 3.245 5.214 -4.444 1.00 23.21 H new ATOM 0 HB1 ALA A 82 1.821 4.291 -6.243 1.00 32.22 H new ATOM 0 HB2 ALA A 82 1.780 6.070 -6.215 1.00 32.22 H new ATOM 0 HB3 ALA A 82 2.748 5.221 -7.444 1.00 32.22 H new ATOM 379 N PHE A 83 4.786 3.293 -4.576 1.00 32.20 N ATOM 380 CA PHE A 83 5.593 2.080 -4.633 1.00 22.21 C ATOM 381 C PHE A 83 4.731 0.841 -4.407 1.00 52.34 C ATOM 382 O PHE A 83 3.711 0.898 -3.718 1.00 64.41 O ATOM 383 CB PHE A 83 6.709 2.135 -3.588 1.00 3.13 C ATOM 384 CG PHE A 83 6.284 1.654 -2.230 1.00 55.10 C ATOM 385 CD1 PHE A 83 5.977 0.320 -2.018 1.00 74.42 C ATOM 386 CD2 PHE A 83 6.191 2.536 -1.166 1.00 13.14 C ATOM 387 CE1 PHE A 83 5.584 -0.125 -0.770 1.00 72.41 C ATOM 388 CE2 PHE A 83 5.799 2.097 0.085 1.00 32.20 C ATOM 389 CZ PHE A 83 5.496 0.764 0.283 1.00 20.01 C ATOM 0 H PHE A 83 4.514 3.575 -3.634 1.00 32.20 H new ATOM 0 HA PHE A 83 6.037 2.016 -5.626 1.00 22.21 H new ATOM 0 HB2 PHE A 83 7.548 1.531 -3.932 1.00 3.13 H new ATOM 0 HB3 PHE A 83 7.068 3.161 -3.505 1.00 3.13 H new ATOM 0 HD1 PHE A 83 6.046 -0.380 -2.837 1.00 74.42 H new ATOM 0 HD2 PHE A 83 6.428 3.579 -1.315 1.00 13.14 H new ATOM 0 HE1 PHE A 83 5.346 -1.167 -0.618 1.00 72.41 H new ATOM 0 HE2 PHE A 83 5.730 2.795 0.906 1.00 32.20 H new ATOM 0 HZ PHE A 83 5.191 0.418 1.259 1.00 20.01 H new ATOM 399 N LEU A 84 5.146 -0.276 -4.993 1.00 62.05 N ATOM 400 CA LEU A 84 4.412 -1.530 -4.858 1.00 5.41 C ATOM 401 C LEU A 84 5.323 -2.725 -5.121 1.00 51.33 C ATOM 402 O LEU A 84 5.985 -2.796 -6.157 1.00 21.50 O ATOM 403 CB LEU A 84 3.226 -1.556 -5.823 1.00 13.43 C ATOM 404 CG LEU A 84 2.761 -2.939 -6.278 1.00 32.43 C ATOM 405 CD1 LEU A 84 1.373 -2.860 -6.896 1.00 24.05 C ATOM 406 CD2 LEU A 84 3.753 -3.537 -7.265 1.00 32.42 C ATOM 0 H LEU A 84 5.987 -0.340 -5.567 1.00 62.05 H new ATOM 0 HA LEU A 84 4.041 -1.597 -3.835 1.00 5.41 H new ATOM 0 HB2 LEU A 84 2.385 -1.050 -5.348 1.00 13.43 H new ATOM 0 HB3 LEU A 84 3.489 -0.975 -6.706 1.00 13.43 H new ATOM 0 HG LEU A 84 2.710 -3.589 -5.405 1.00 32.43 H new ATOM 0 HD11 LEU A 84 1.059 -3.854 -7.214 1.00 24.05 H new ATOM 0 HD12 LEU A 84 0.668 -2.475 -6.159 1.00 24.05 H new ATOM 0 HD13 LEU A 84 1.396 -2.194 -7.758 1.00 24.05 H new ATOM 0 HD21 LEU A 84 3.406 -4.522 -7.578 1.00 32.42 H new ATOM 0 HD22 LEU A 84 3.836 -2.887 -8.136 1.00 32.42 H new ATOM 0 HD23 LEU A 84 4.729 -3.631 -6.788 1.00 32.42 H new ATOM 418 N ILE A 85 5.349 -3.661 -4.179 1.00 10.01 N ATOM 419 CA ILE A 85 6.175 -4.854 -4.311 1.00 64.41 C ATOM 420 C ILE A 85 5.342 -6.055 -4.745 1.00 74.12 C ATOM 421 O ILE A 85 4.308 -6.355 -4.147 1.00 24.22 O ATOM 422 CB ILE A 85 6.892 -5.192 -2.990 1.00 42.04 C ATOM 423 CG1 ILE A 85 7.670 -3.976 -2.482 1.00 20.51 C ATOM 424 CG2 ILE A 85 7.822 -6.381 -3.181 1.00 42.24 C ATOM 425 CD1 ILE A 85 8.304 -4.189 -1.125 1.00 64.43 C ATOM 0 H ILE A 85 4.807 -3.616 -3.316 1.00 10.01 H new ATOM 0 HA ILE A 85 6.921 -4.637 -5.075 1.00 64.41 H new ATOM 0 HB ILE A 85 6.143 -5.458 -2.244 1.00 42.04 H new ATOM 0 HG12 ILE A 85 8.449 -3.726 -3.203 1.00 20.51 H new ATOM 0 HG13 ILE A 85 6.997 -3.120 -2.430 1.00 20.51 H new ATOM 0 HG21 ILE A 85 8.321 -6.607 -2.239 1.00 42.24 H new ATOM 0 HG22 ILE A 85 7.244 -7.247 -3.503 1.00 42.24 H new ATOM 0 HG23 ILE A 85 8.568 -6.141 -3.939 1.00 42.24 H new ATOM 0 HD11 ILE A 85 8.839 -3.287 -0.828 1.00 64.43 H new ATOM 0 HD12 ILE A 85 7.528 -4.409 -0.392 1.00 64.43 H new ATOM 0 HD13 ILE A 85 9.002 -5.024 -1.177 1.00 64.43 H new ATOM 437 N ARG A 86 5.798 -6.740 -5.789 1.00 4.52 N ATOM 438 CA ARG A 86 5.095 -7.908 -6.303 1.00 20.50 C ATOM 439 C ARG A 86 5.921 -9.175 -6.095 1.00 53.21 C ATOM 440 O ARG A 86 7.147 -9.120 -6.008 1.00 52.20 O ATOM 441 CB ARG A 86 4.782 -7.729 -7.790 1.00 5.03 C ATOM 442 CG ARG A 86 5.990 -7.330 -8.622 1.00 61.32 C ATOM 443 CD ARG A 86 5.731 -6.051 -9.402 1.00 4.53 C ATOM 444 NE ARG A 86 5.527 -6.308 -10.825 1.00 24.23 N ATOM 445 CZ ARG A 86 6.520 -6.441 -11.697 1.00 62.41 C ATOM 446 NH1 ARG A 86 7.779 -6.342 -11.294 1.00 23.42 N ATOM 447 NH2 ARG A 86 6.254 -6.675 -12.976 1.00 43.10 N ATOM 0 H ARG A 86 6.652 -6.505 -6.295 1.00 4.52 H new ATOM 0 HA ARG A 86 4.160 -8.009 -5.752 1.00 20.50 H new ATOM 0 HB2 ARG A 86 4.373 -8.661 -8.181 1.00 5.03 H new ATOM 0 HB3 ARG A 86 4.008 -6.970 -7.901 1.00 5.03 H new ATOM 0 HG2 ARG A 86 6.853 -7.192 -7.970 1.00 61.32 H new ATOM 0 HG3 ARG A 86 6.239 -8.135 -9.313 1.00 61.32 H new ATOM 0 HD2 ARG A 86 4.853 -5.550 -8.995 1.00 4.53 H new ATOM 0 HD3 ARG A 86 6.574 -5.372 -9.274 1.00 4.53 H new ATOM 0 HE ARG A 86 4.570 -6.390 -11.168 1.00 24.23 H new ATOM 0 HH11 ARG A 86 7.987 -6.163 -10.312 1.00 23.42 H new ATOM 0 HH12 ARG A 86 8.539 -6.445 -11.966 1.00 23.42 H new ATOM 0 HH21 ARG A 86 5.287 -6.753 -13.290 1.00 43.10 H new ATOM 0 HH22 ARG A 86 7.017 -6.777 -13.645 1.00 43.10 H new ATOM 461 N GLU A 87 5.239 -10.313 -6.016 1.00 71.30 N ATOM 462 CA GLU A 87 5.910 -11.592 -5.817 1.00 20.51 C ATOM 463 C GLU A 87 5.641 -12.536 -6.986 1.00 12.13 C ATOM 464 O GLU A 87 4.570 -12.501 -7.592 1.00 11.33 O ATOM 465 CB GLU A 87 5.448 -12.238 -4.509 1.00 75.10 C ATOM 466 CG GLU A 87 6.331 -13.387 -4.052 1.00 11.45 C ATOM 467 CD GLU A 87 5.568 -14.428 -3.256 1.00 62.20 C ATOM 468 OE1 GLU A 87 4.367 -14.625 -3.536 1.00 21.11 O ATOM 469 OE2 GLU A 87 6.172 -15.046 -2.354 1.00 53.21 O ATOM 0 H GLU A 87 4.223 -10.375 -6.087 1.00 71.30 H new ATOM 0 HA GLU A 87 6.983 -11.405 -5.763 1.00 20.51 H new ATOM 0 HB2 GLU A 87 5.422 -11.478 -3.728 1.00 75.10 H new ATOM 0 HB3 GLU A 87 4.428 -12.602 -4.634 1.00 75.10 H new ATOM 0 HG2 GLU A 87 6.784 -13.861 -4.923 1.00 11.45 H new ATOM 0 HG3 GLU A 87 7.145 -12.995 -3.443 1.00 11.45 H new ATOM 476 N SER A 88 6.621 -13.378 -7.297 1.00 31.24 N ATOM 477 CA SER A 88 6.493 -14.328 -8.395 1.00 75.42 C ATOM 478 C SER A 88 5.354 -15.310 -8.134 1.00 52.34 C ATOM 479 O SER A 88 4.728 -15.283 -7.075 1.00 40.43 O ATOM 480 CB SER A 88 7.803 -15.092 -8.593 1.00 45.20 C ATOM 481 OG SER A 88 8.605 -14.480 -9.588 1.00 50.54 O ATOM 0 H SER A 88 7.513 -13.421 -6.804 1.00 31.24 H new ATOM 0 HA SER A 88 6.267 -13.768 -9.302 1.00 75.42 H new ATOM 0 HB2 SER A 88 8.351 -15.130 -7.652 1.00 45.20 H new ATOM 0 HB3 SER A 88 7.588 -16.122 -8.878 1.00 45.20 H new ATOM 0 HG SER A 88 9.028 -15.172 -10.139 1.00 50.54 H new ATOM 487 N GLU A 89 5.092 -16.175 -9.109 1.00 32.11 N ATOM 488 CA GLU A 89 4.028 -17.165 -8.985 1.00 51.43 C ATOM 489 C GLU A 89 4.597 -18.533 -8.623 1.00 63.45 C ATOM 490 O GLU A 89 3.994 -19.286 -7.859 1.00 71.21 O ATOM 491 CB GLU A 89 3.235 -17.259 -10.290 1.00 54.13 C ATOM 492 CG GLU A 89 3.465 -16.086 -11.229 1.00 33.14 C ATOM 493 CD GLU A 89 2.511 -16.087 -12.408 1.00 5.31 C ATOM 494 OE1 GLU A 89 1.341 -15.691 -12.226 1.00 22.42 O ATOM 495 OE2 GLU A 89 2.937 -16.483 -13.513 1.00 51.44 O ATOM 0 H GLU A 89 5.601 -16.210 -9.992 1.00 32.11 H new ATOM 0 HA GLU A 89 3.361 -16.846 -8.185 1.00 51.43 H new ATOM 0 HB2 GLU A 89 3.504 -18.182 -10.803 1.00 54.13 H new ATOM 0 HB3 GLU A 89 2.172 -17.323 -10.056 1.00 54.13 H new ATOM 0 HG2 GLU A 89 3.351 -15.154 -10.675 1.00 33.14 H new ATOM 0 HG3 GLU A 89 4.491 -16.115 -11.596 1.00 33.14 H new ATOM 502 N SER A 90 5.763 -18.848 -9.179 1.00 60.51 N ATOM 503 CA SER A 90 6.413 -20.128 -8.919 1.00 53.21 C ATOM 504 C SER A 90 7.821 -19.920 -8.369 1.00 74.33 C ATOM 505 O SER A 90 8.625 -20.850 -8.326 1.00 21.51 O ATOM 506 CB SER A 90 6.471 -20.964 -10.199 1.00 51.42 C ATOM 507 OG SER A 90 5.448 -21.944 -10.215 1.00 54.23 O ATOM 0 H SER A 90 6.277 -18.235 -9.812 1.00 60.51 H new ATOM 0 HA SER A 90 5.825 -20.661 -8.172 1.00 53.21 H new ATOM 0 HB2 SER A 90 6.369 -20.313 -11.067 1.00 51.42 H new ATOM 0 HB3 SER A 90 7.444 -21.449 -10.277 1.00 51.42 H new ATOM 0 HG SER A 90 5.506 -22.464 -11.044 1.00 54.23 H new ATOM 513 N ALA A 91 8.110 -18.693 -7.950 1.00 44.13 N ATOM 514 CA ALA A 91 9.420 -18.362 -7.401 1.00 74.33 C ATOM 515 C ALA A 91 9.292 -17.734 -6.018 1.00 30.14 C ATOM 516 O ALA A 91 9.096 -16.527 -5.873 1.00 71.20 O ATOM 517 CB ALA A 91 10.165 -17.426 -8.341 1.00 61.42 C ATOM 0 H ALA A 91 7.455 -17.911 -7.980 1.00 44.13 H new ATOM 0 HA ALA A 91 9.989 -19.286 -7.301 1.00 74.33 H new ATOM 0 HB1 ALA A 91 11.141 -17.187 -7.919 1.00 61.42 H new ATOM 0 HB2 ALA A 91 10.297 -17.911 -9.308 1.00 61.42 H new ATOM 0 HB3 ALA A 91 9.591 -16.508 -8.471 1.00 61.42 H new ATOM 523 N PRO A 92 9.405 -18.570 -4.975 1.00 14.03 N ATOM 524 CA PRO A 92 9.305 -18.118 -3.584 1.00 32.13 C ATOM 525 C PRO A 92 10.502 -17.273 -3.161 1.00 72.23 C ATOM 526 O PRO A 92 11.651 -17.658 -3.372 1.00 61.13 O ATOM 527 CB PRO A 92 9.266 -19.425 -2.788 1.00 75.31 C ATOM 528 CG PRO A 92 9.955 -20.419 -3.658 1.00 71.00 C ATOM 529 CD PRO A 92 9.639 -20.020 -5.073 1.00 73.41 C ATOM 0 HA PRO A 92 8.436 -17.480 -3.425 1.00 32.13 H new ATOM 0 HB2 PRO A 92 9.773 -19.320 -1.829 1.00 75.31 H new ATOM 0 HB3 PRO A 92 8.241 -19.728 -2.575 1.00 75.31 H new ATOM 0 HG2 PRO A 92 11.031 -20.413 -3.482 1.00 71.00 H new ATOM 0 HG3 PRO A 92 9.604 -21.430 -3.450 1.00 71.00 H new ATOM 0 HD2 PRO A 92 10.463 -20.249 -5.749 1.00 73.41 H new ATOM 0 HD3 PRO A 92 8.761 -20.544 -5.452 1.00 73.41 H new ATOM 537 N GLY A 93 10.224 -16.119 -2.563 1.00 0.32 N ATOM 538 CA GLY A 93 11.289 -15.238 -2.120 1.00 12.30 C ATOM 539 C GLY A 93 11.635 -14.182 -3.152 1.00 32.45 C ATOM 540 O GLY A 93 12.502 -13.340 -2.920 1.00 51.55 O ATOM 0 H GLY A 93 9.281 -15.778 -2.377 1.00 0.32 H new ATOM 0 HA2 GLY A 93 10.991 -14.751 -1.192 1.00 12.30 H new ATOM 0 HA3 GLY A 93 12.177 -15.830 -1.898 1.00 12.30 H new ATOM 544 N ASP A 94 10.957 -14.229 -4.293 1.00 42.22 N ATOM 545 CA ASP A 94 11.198 -13.269 -5.365 1.00 31.52 C ATOM 546 C ASP A 94 10.371 -12.005 -5.158 1.00 13.43 C ATOM 547 O ASP A 94 9.149 -12.017 -5.310 1.00 61.34 O ATOM 548 CB ASP A 94 10.867 -13.894 -6.721 1.00 51.12 C ATOM 549 CG ASP A 94 11.816 -13.442 -7.814 1.00 13.32 C ATOM 550 OD1 ASP A 94 11.808 -12.238 -8.145 1.00 10.23 O ATOM 551 OD2 ASP A 94 12.565 -14.292 -8.339 1.00 3.15 O ATOM 0 H ASP A 94 10.237 -14.921 -4.500 1.00 42.22 H new ATOM 0 HA ASP A 94 12.254 -12.998 -5.347 1.00 31.52 H new ATOM 0 HB2 ASP A 94 10.906 -14.980 -6.636 1.00 51.12 H new ATOM 0 HB3 ASP A 94 9.846 -13.632 -6.999 1.00 51.12 H new ATOM 556 N PHE A 95 11.044 -10.914 -4.808 1.00 44.32 N ATOM 557 CA PHE A 95 10.372 -9.641 -4.578 1.00 14.41 C ATOM 558 C PHE A 95 10.857 -8.583 -5.564 1.00 41.44 C ATOM 559 O PHE A 95 12.052 -8.479 -5.842 1.00 31.01 O ATOM 560 CB PHE A 95 10.611 -9.165 -3.144 1.00 23.05 C ATOM 561 CG PHE A 95 9.876 -9.974 -2.113 1.00 41.51 C ATOM 562 CD1 PHE A 95 8.519 -9.786 -1.905 1.00 62.22 C ATOM 563 CD2 PHE A 95 10.542 -10.921 -1.352 1.00 2.40 C ATOM 564 CE1 PHE A 95 7.839 -10.529 -0.958 1.00 45.20 C ATOM 565 CE2 PHE A 95 9.868 -11.666 -0.404 1.00 32.42 C ATOM 566 CZ PHE A 95 8.515 -11.469 -0.206 1.00 21.43 C ATOM 0 H PHE A 95 12.055 -10.886 -4.677 1.00 44.32 H new ATOM 0 HA PHE A 95 9.303 -9.791 -4.730 1.00 14.41 H new ATOM 0 HB2 PHE A 95 11.679 -9.203 -2.930 1.00 23.05 H new ATOM 0 HB3 PHE A 95 10.306 -8.122 -3.060 1.00 23.05 H new ATOM 0 HD1 PHE A 95 7.986 -9.050 -2.490 1.00 62.22 H new ATOM 0 HD2 PHE A 95 11.600 -11.078 -1.502 1.00 2.40 H new ATOM 0 HE1 PHE A 95 6.781 -10.374 -0.807 1.00 45.20 H new ATOM 0 HE2 PHE A 95 10.398 -12.402 0.182 1.00 32.42 H new ATOM 0 HZ PHE A 95 7.987 -12.049 0.536 1.00 21.43 H new ATOM 576 N SER A 96 9.921 -7.799 -6.091 1.00 63.41 N ATOM 577 CA SER A 96 10.252 -6.752 -7.050 1.00 40.11 C ATOM 578 C SER A 96 9.523 -5.455 -6.711 1.00 62.12 C ATOM 579 O SER A 96 8.296 -5.428 -6.606 1.00 2.01 O ATOM 580 CB SER A 96 9.891 -7.197 -8.469 1.00 21.34 C ATOM 581 OG SER A 96 9.888 -6.098 -9.363 1.00 64.21 O ATOM 0 H SER A 96 8.928 -7.870 -5.870 1.00 63.41 H new ATOM 0 HA SER A 96 11.325 -6.571 -6.996 1.00 40.11 H new ATOM 0 HB2 SER A 96 10.605 -7.946 -8.811 1.00 21.34 H new ATOM 0 HB3 SER A 96 8.909 -7.670 -8.466 1.00 21.34 H new ATOM 0 HG SER A 96 10.134 -6.406 -10.260 1.00 64.21 H new ATOM 587 N LEU A 97 10.287 -4.382 -6.541 1.00 41.22 N ATOM 588 CA LEU A 97 9.716 -3.080 -6.214 1.00 33.01 C ATOM 589 C LEU A 97 9.345 -2.314 -7.480 1.00 23.11 C ATOM 590 O LEU A 97 10.095 -2.309 -8.456 1.00 4.51 O ATOM 591 CB LEU A 97 10.704 -2.262 -5.380 1.00 73.41 C ATOM 592 CG LEU A 97 10.180 -0.936 -4.829 1.00 32.05 C ATOM 593 CD1 LEU A 97 9.990 0.071 -5.952 1.00 12.42 C ATOM 594 CD2 LEU A 97 8.875 -1.150 -4.075 1.00 41.11 C ATOM 0 H LEU A 97 11.304 -4.388 -6.624 1.00 41.22 H new ATOM 0 HA LEU A 97 8.809 -3.245 -5.633 1.00 33.01 H new ATOM 0 HB2 LEU A 97 11.036 -2.875 -4.542 1.00 73.41 H new ATOM 0 HB3 LEU A 97 11.582 -2.056 -5.992 1.00 73.41 H new ATOM 0 HG LEU A 97 10.918 -0.537 -4.132 1.00 32.05 H new ATOM 0 HD11 LEU A 97 9.616 1.009 -5.541 1.00 12.42 H new ATOM 0 HD12 LEU A 97 10.944 0.247 -6.448 1.00 12.42 H new ATOM 0 HD13 LEU A 97 9.273 -0.320 -6.674 1.00 12.42 H new ATOM 0 HD21 LEU A 97 8.517 -0.195 -3.690 1.00 41.11 H new ATOM 0 HD22 LEU A 97 8.130 -1.572 -4.750 1.00 41.11 H new ATOM 0 HD23 LEU A 97 9.043 -1.836 -3.245 1.00 41.11 H new ATOM 606 N SER A 98 8.185 -1.667 -7.456 1.00 13.35 N ATOM 607 CA SER A 98 7.714 -0.898 -8.602 1.00 32.31 C ATOM 608 C SER A 98 7.296 0.507 -8.179 1.00 60.14 C ATOM 609 O SER A 98 6.270 0.692 -7.525 1.00 32.32 O ATOM 610 CB SER A 98 6.539 -1.612 -9.273 1.00 54.20 C ATOM 611 OG SER A 98 6.848 -2.970 -9.534 1.00 44.22 O ATOM 0 H SER A 98 7.553 -1.660 -6.655 1.00 13.35 H new ATOM 0 HA SER A 98 8.534 -0.815 -9.315 1.00 32.31 H new ATOM 0 HB2 SER A 98 5.660 -1.553 -8.632 1.00 54.20 H new ATOM 0 HB3 SER A 98 6.288 -1.107 -10.206 1.00 54.20 H new ATOM 0 HG SER A 98 6.150 -3.361 -10.100 1.00 44.22 H new ATOM 617 N VAL A 99 8.100 1.496 -8.559 1.00 35.42 N ATOM 618 CA VAL A 99 7.814 2.885 -8.221 1.00 62.00 C ATOM 619 C VAL A 99 7.454 3.690 -9.465 1.00 4.14 C ATOM 620 O VAL A 99 7.955 3.423 -10.557 1.00 72.14 O ATOM 621 CB VAL A 99 9.014 3.550 -7.521 1.00 43.45 C ATOM 622 CG1 VAL A 99 9.265 4.937 -8.095 1.00 23.23 C ATOM 623 CG2 VAL A 99 8.784 3.619 -6.019 1.00 52.34 C ATOM 0 H VAL A 99 8.954 1.361 -9.101 1.00 35.42 H new ATOM 0 HA VAL A 99 6.964 2.877 -7.539 1.00 62.00 H new ATOM 0 HB VAL A 99 9.900 2.942 -7.701 1.00 43.45 H new ATOM 0 HG11 VAL A 99 10.116 5.392 -7.589 1.00 23.23 H new ATOM 0 HG12 VAL A 99 9.478 4.857 -9.161 1.00 23.23 H new ATOM 0 HG13 VAL A 99 8.381 5.557 -7.947 1.00 23.23 H new ATOM 0 HG21 VAL A 99 9.642 4.092 -5.541 1.00 52.34 H new ATOM 0 HG22 VAL A 99 7.887 4.204 -5.815 1.00 52.34 H new ATOM 0 HG23 VAL A 99 8.658 2.611 -5.624 1.00 52.34 H new ATOM 633 N LYS A 100 6.583 4.678 -9.291 1.00 44.43 N ATOM 634 CA LYS A 100 6.156 5.526 -10.399 1.00 24.45 C ATOM 635 C LYS A 100 6.956 6.824 -10.430 1.00 12.34 C ATOM 636 O LYS A 100 6.986 7.570 -9.450 1.00 60.13 O ATOM 637 CB LYS A 100 4.662 5.837 -10.283 1.00 64.51 C ATOM 638 CG LYS A 100 4.168 6.837 -11.314 1.00 31.51 C ATOM 639 CD LYS A 100 2.707 6.604 -11.660 1.00 71.24 C ATOM 640 CE LYS A 100 2.062 7.859 -12.228 1.00 12.04 C ATOM 641 NZ LYS A 100 1.189 8.535 -11.228 1.00 22.43 N ATOM 0 H LYS A 100 6.159 4.912 -8.393 1.00 44.43 H new ATOM 0 HA LYS A 100 6.337 4.986 -11.328 1.00 24.45 H new ATOM 0 HB2 LYS A 100 4.097 4.911 -10.388 1.00 64.51 H new ATOM 0 HB3 LYS A 100 4.456 6.225 -9.285 1.00 64.51 H new ATOM 0 HG2 LYS A 100 4.295 7.849 -10.931 1.00 31.51 H new ATOM 0 HG3 LYS A 100 4.774 6.760 -12.217 1.00 31.51 H new ATOM 0 HD2 LYS A 100 2.628 5.793 -12.384 1.00 71.24 H new ATOM 0 HD3 LYS A 100 2.167 6.288 -10.768 1.00 71.24 H new ATOM 0 HE2 LYS A 100 2.839 8.549 -12.558 1.00 12.04 H new ATOM 0 HE3 LYS A 100 1.473 7.599 -13.107 1.00 12.04 H new ATOM 0 HZ1 LYS A 100 0.768 9.386 -11.653 1.00 22.43 H new ATOM 0 HZ2 LYS A 100 0.433 7.885 -10.932 1.00 22.43 H new ATOM 0 HZ3 LYS A 100 1.756 8.807 -10.400 1.00 22.43 H new ATOM 655 N PHE A 101 7.601 7.090 -11.561 1.00 21.34 N ATOM 656 CA PHE A 101 8.400 8.299 -11.719 1.00 43.10 C ATOM 657 C PHE A 101 8.018 9.040 -12.997 1.00 63.12 C ATOM 658 O PHE A 101 8.433 8.665 -14.093 1.00 21.51 O ATOM 659 CB PHE A 101 9.890 7.952 -11.743 1.00 63.34 C ATOM 660 CG PHE A 101 10.474 7.720 -10.379 1.00 60.51 C ATOM 661 CD1 PHE A 101 10.257 8.627 -9.355 1.00 30.34 C ATOM 662 CD2 PHE A 101 11.240 6.594 -10.121 1.00 44.34 C ATOM 663 CE1 PHE A 101 10.792 8.416 -8.098 1.00 24.12 C ATOM 664 CE2 PHE A 101 11.778 6.378 -8.867 1.00 30.03 C ATOM 665 CZ PHE A 101 11.555 7.290 -7.854 1.00 52.40 C ATOM 0 H PHE A 101 7.586 6.484 -12.382 1.00 21.34 H new ATOM 0 HA PHE A 101 8.200 8.951 -10.868 1.00 43.10 H new ATOM 0 HB2 PHE A 101 10.037 7.058 -12.349 1.00 63.34 H new ATOM 0 HB3 PHE A 101 10.435 8.760 -12.230 1.00 63.34 H new ATOM 0 HD1 PHE A 101 9.663 9.509 -9.541 1.00 30.34 H new ATOM 0 HD2 PHE A 101 11.418 5.877 -10.909 1.00 44.34 H new ATOM 0 HE1 PHE A 101 10.614 9.130 -7.308 1.00 24.12 H new ATOM 0 HE2 PHE A 101 12.373 5.496 -8.679 1.00 30.03 H new ATOM 0 HZ PHE A 101 11.976 7.123 -6.873 1.00 52.40 H new ATOM 675 N GLY A 102 7.223 10.095 -12.848 1.00 4.24 N ATOM 676 CA GLY A 102 6.798 10.872 -13.997 1.00 55.10 C ATOM 677 C GLY A 102 5.834 10.111 -14.886 1.00 50.31 C ATOM 678 O GLY A 102 4.813 9.608 -14.419 1.00 25.12 O ATOM 0 H GLY A 102 6.866 10.425 -11.952 1.00 4.24 H new ATOM 0 HA2 GLY A 102 6.323 11.792 -13.655 1.00 55.10 H new ATOM 0 HA3 GLY A 102 7.673 11.162 -14.579 1.00 55.10 H new ATOM 682 N ASN A 103 6.158 10.029 -16.173 1.00 33.24 N ATOM 683 CA ASN A 103 5.312 9.326 -17.130 1.00 74.11 C ATOM 684 C ASN A 103 5.884 7.950 -17.454 1.00 64.54 C ATOM 685 O ASN A 103 5.633 7.398 -18.526 1.00 44.22 O ATOM 686 CB ASN A 103 5.168 10.146 -18.414 1.00 13.14 C ATOM 687 CG ASN A 103 3.744 10.616 -18.643 1.00 61.32 C ATOM 688 OD1 ASN A 103 2.842 10.301 -17.867 1.00 1.13 O ATOM 689 ND2 ASN A 103 3.536 11.373 -19.714 1.00 65.44 N ATOM 0 H ASN A 103 7.000 10.440 -16.576 1.00 33.24 H new ATOM 0 HA ASN A 103 4.329 9.194 -16.679 1.00 74.11 H new ATOM 0 HB2 ASN A 103 5.830 11.011 -18.366 1.00 13.14 H new ATOM 0 HB3 ASN A 103 5.490 9.545 -19.264 1.00 13.14 H new ATOM 0 HD21 ASN A 103 2.599 11.718 -19.920 1.00 65.44 H new ATOM 0 HD22 ASN A 103 4.314 11.610 -20.330 1.00 65.44 H new ATOM 696 N ASP A 104 6.654 7.401 -16.521 1.00 62.53 N ATOM 697 CA ASP A 104 7.262 6.088 -16.706 1.00 73.34 C ATOM 698 C ASP A 104 7.387 5.354 -15.375 1.00 13.23 C ATOM 699 O ASP A 104 7.943 5.883 -14.412 1.00 40.23 O ATOM 700 CB ASP A 104 8.639 6.227 -17.358 1.00 33.45 C ATOM 701 CG ASP A 104 8.552 6.436 -18.856 1.00 52.45 C ATOM 702 OD1 ASP A 104 8.215 5.470 -19.572 1.00 14.12 O ATOM 703 OD2 ASP A 104 8.822 7.567 -19.314 1.00 72.44 O ATOM 0 H ASP A 104 6.872 7.845 -15.629 1.00 62.53 H new ATOM 0 HA ASP A 104 6.615 5.505 -17.362 1.00 73.34 H new ATOM 0 HB2 ASP A 104 9.168 7.067 -16.907 1.00 33.45 H new ATOM 0 HB3 ASP A 104 9.227 5.332 -17.153 1.00 33.45 H new ATOM 708 N VAL A 105 6.864 4.133 -15.326 1.00 64.23 N ATOM 709 CA VAL A 105 6.917 3.326 -14.113 1.00 3.21 C ATOM 710 C VAL A 105 8.218 2.535 -14.035 1.00 42.02 C ATOM 711 O VAL A 105 8.458 1.636 -14.841 1.00 13.11 O ATOM 712 CB VAL A 105 5.729 2.349 -14.036 1.00 64.35 C ATOM 713 CG1 VAL A 105 5.797 1.525 -12.760 1.00 20.34 C ATOM 714 CG2 VAL A 105 4.412 3.104 -14.124 1.00 51.12 C ATOM 0 H VAL A 105 6.398 3.681 -16.113 1.00 64.23 H new ATOM 0 HA VAL A 105 6.864 4.017 -13.271 1.00 3.21 H new ATOM 0 HB VAL A 105 5.787 1.666 -14.884 1.00 64.35 H new ATOM 0 HG11 VAL A 105 4.949 0.841 -12.723 1.00 20.34 H new ATOM 0 HG12 VAL A 105 6.725 0.954 -12.745 1.00 20.34 H new ATOM 0 HG13 VAL A 105 5.765 2.189 -11.896 1.00 20.34 H new ATOM 0 HG21 VAL A 105 3.583 2.398 -14.068 1.00 51.12 H new ATOM 0 HG22 VAL A 105 4.342 3.812 -13.298 1.00 51.12 H new ATOM 0 HG23 VAL A 105 4.365 3.644 -15.069 1.00 51.12 H new ATOM 724 N GLN A 106 9.054 2.876 -13.060 1.00 23.11 N ATOM 725 CA GLN A 106 10.332 2.197 -12.877 1.00 73.24 C ATOM 726 C GLN A 106 10.207 1.067 -11.860 1.00 4.50 C ATOM 727 O GLN A 106 9.168 0.906 -11.220 1.00 13.20 O ATOM 728 CB GLN A 106 11.402 3.192 -12.425 1.00 31.53 C ATOM 729 CG GLN A 106 11.587 4.362 -13.377 1.00 73.22 C ATOM 730 CD GLN A 106 12.932 4.339 -14.075 1.00 43.41 C ATOM 731 OE1 GLN A 106 13.976 4.502 -13.442 1.00 32.51 O ATOM 732 NE2 GLN A 106 12.915 4.138 -15.388 1.00 24.35 N ATOM 0 H GLN A 106 8.870 3.618 -12.385 1.00 23.11 H new ATOM 0 HA GLN A 106 10.628 1.768 -13.834 1.00 73.24 H new ATOM 0 HB2 GLN A 106 11.137 3.575 -11.440 1.00 31.53 H new ATOM 0 HB3 GLN A 106 12.352 2.668 -12.318 1.00 31.53 H new ATOM 0 HG2 GLN A 106 10.794 4.346 -14.124 1.00 73.22 H new ATOM 0 HG3 GLN A 106 11.485 5.295 -12.824 1.00 73.22 H new ATOM 0 HE21 GLN A 106 12.027 4.008 -15.873 1.00 24.35 H new ATOM 0 HE22 GLN A 106 13.790 4.114 -15.912 1.00 24.35 H new ATOM 741 N HIS A 107 11.274 0.287 -11.716 1.00 10.43 N ATOM 742 CA HIS A 107 11.284 -0.828 -10.775 1.00 41.53 C ATOM 743 C HIS A 107 12.705 -1.132 -10.309 1.00 74.33 C ATOM 744 O HIS A 107 13.676 -0.626 -10.872 1.00 14.31 O ATOM 745 CB HIS A 107 10.668 -2.070 -11.419 1.00 23.45 C ATOM 746 CG HIS A 107 10.891 -2.152 -12.897 1.00 62.33 C ATOM 747 ND1 HIS A 107 10.386 -1.412 -13.911 1.00 32.32 N flip ATOM 748 CD2 HIS A 107 11.721 -3.085 -13.483 1.00 53.32 C flip ATOM 749 CE1 HIS A 107 10.915 -1.905 -15.079 1.00 3.14 C flip ATOM 750 NE2 HIS A 107 11.717 -2.914 -14.793 1.00 14.33 N flip ATOM 0 H HIS A 107 12.142 0.406 -12.238 1.00 10.43 H new ATOM 0 HA HIS A 107 10.689 -0.546 -9.907 1.00 41.53 H new ATOM 0 HB2 HIS A 107 11.086 -2.959 -10.947 1.00 23.45 H new ATOM 0 HB3 HIS A 107 9.596 -2.078 -11.221 1.00 23.45 H new ATOM 0 HD2 HIS A 107 12.286 -3.838 -12.953 1.00 53.32 H new ATOM 0 HE1 HIS A 107 10.708 -1.528 -16.070 1.00 3.14 H new ATOM 0 HE2 HIS A 107 12.244 -3.467 -15.469 1.00 14.33 H new ATOM 758 N PHE A 108 12.818 -1.962 -9.278 1.00 25.23 N ATOM 759 CA PHE A 108 14.120 -2.333 -8.735 1.00 22.01 C ATOM 760 C PHE A 108 14.116 -3.780 -8.252 1.00 32.51 C ATOM 761 O PHE A 108 13.399 -4.133 -7.315 1.00 52.40 O ATOM 762 CB PHE A 108 14.500 -1.400 -7.583 1.00 65.40 C ATOM 763 CG PHE A 108 14.626 0.039 -7.994 1.00 30.14 C ATOM 764 CD1 PHE A 108 13.513 0.863 -8.028 1.00 75.23 C ATOM 765 CD2 PHE A 108 15.857 0.568 -8.345 1.00 64.13 C ATOM 766 CE1 PHE A 108 13.625 2.188 -8.405 1.00 75.13 C ATOM 767 CE2 PHE A 108 15.976 1.892 -8.723 1.00 14.23 C ATOM 768 CZ PHE A 108 14.858 2.703 -8.754 1.00 33.11 C ATOM 0 H PHE A 108 12.024 -2.391 -8.802 1.00 25.23 H new ATOM 0 HA PHE A 108 14.859 -2.236 -9.531 1.00 22.01 H new ATOM 0 HB2 PHE A 108 13.749 -1.481 -6.798 1.00 65.40 H new ATOM 0 HB3 PHE A 108 15.446 -1.731 -7.154 1.00 65.40 H new ATOM 0 HD1 PHE A 108 12.546 0.465 -7.757 1.00 75.23 H new ATOM 0 HD2 PHE A 108 16.734 -0.062 -8.323 1.00 64.13 H new ATOM 0 HE1 PHE A 108 12.749 2.820 -8.427 1.00 75.13 H new ATOM 0 HE2 PHE A 108 16.942 2.292 -8.994 1.00 14.23 H new ATOM 0 HZ PHE A 108 14.948 3.738 -9.051 1.00 33.11 H new ATOM 778 N LYS A 109 14.921 -4.616 -8.899 1.00 22.12 N ATOM 779 CA LYS A 109 15.012 -6.026 -8.537 1.00 45.40 C ATOM 780 C LYS A 109 15.594 -6.191 -7.137 1.00 23.32 C ATOM 781 O LYS A 109 16.776 -5.930 -6.910 1.00 33.14 O ATOM 782 CB LYS A 109 15.875 -6.779 -9.552 1.00 4.02 C ATOM 783 CG LYS A 109 15.070 -7.598 -10.546 1.00 2.13 C ATOM 784 CD LYS A 109 15.174 -9.086 -10.256 1.00 11.12 C ATOM 785 CE LYS A 109 16.531 -9.640 -10.662 1.00 2.44 C ATOM 786 NZ LYS A 109 16.435 -10.526 -11.854 1.00 74.31 N ATOM 0 H LYS A 109 15.520 -4.341 -9.677 1.00 22.12 H new ATOM 0 HA LYS A 109 14.005 -6.444 -8.544 1.00 45.40 H new ATOM 0 HB2 LYS A 109 16.489 -6.062 -10.097 1.00 4.02 H new ATOM 0 HB3 LYS A 109 16.557 -7.440 -9.017 1.00 4.02 H new ATOM 0 HG2 LYS A 109 14.025 -7.291 -10.509 1.00 2.13 H new ATOM 0 HG3 LYS A 109 15.426 -7.398 -11.557 1.00 2.13 H new ATOM 0 HD2 LYS A 109 15.011 -9.263 -9.193 1.00 11.12 H new ATOM 0 HD3 LYS A 109 14.388 -9.618 -10.792 1.00 11.12 H new ATOM 0 HE2 LYS A 109 17.210 -8.815 -10.877 1.00 2.44 H new ATOM 0 HE3 LYS A 109 16.960 -10.197 -9.829 1.00 2.44 H new ATOM 0 HZ1 LYS A 109 17.381 -10.883 -12.098 1.00 74.31 H new ATOM 0 HZ2 LYS A 109 15.807 -11.327 -11.641 1.00 74.31 H new ATOM 0 HZ3 LYS A 109 16.050 -9.988 -12.656 1.00 74.31 H new ATOM 800 N VAL A 110 14.757 -6.628 -6.201 1.00 25.31 N ATOM 801 CA VAL A 110 15.190 -6.831 -4.823 1.00 73.54 C ATOM 802 C VAL A 110 16.014 -8.107 -4.688 1.00 74.14 C ATOM 803 O VAL A 110 15.617 -9.170 -5.169 1.00 14.43 O ATOM 804 CB VAL A 110 13.988 -6.906 -3.863 1.00 53.32 C ATOM 805 CG1 VAL A 110 14.438 -7.340 -2.477 1.00 33.04 C ATOM 806 CG2 VAL A 110 13.270 -5.566 -3.804 1.00 53.14 C ATOM 0 H VAL A 110 13.776 -6.848 -6.372 1.00 25.31 H new ATOM 0 HA VAL A 110 15.807 -5.973 -4.555 1.00 73.54 H new ATOM 0 HB VAL A 110 13.288 -7.651 -4.241 1.00 53.32 H new ATOM 0 HG11 VAL A 110 13.575 -7.387 -1.813 1.00 33.04 H new ATOM 0 HG12 VAL A 110 14.904 -8.324 -2.537 1.00 33.04 H new ATOM 0 HG13 VAL A 110 15.158 -6.621 -2.086 1.00 33.04 H new ATOM 0 HG21 VAL A 110 12.423 -5.637 -3.121 1.00 53.14 H new ATOM 0 HG22 VAL A 110 13.959 -4.799 -3.450 1.00 53.14 H new ATOM 0 HG23 VAL A 110 12.913 -5.301 -4.799 1.00 53.14 H new ATOM 816 N LEU A 111 17.163 -7.996 -4.031 1.00 52.44 N ATOM 817 CA LEU A 111 18.044 -9.141 -3.832 1.00 2.22 C ATOM 818 C LEU A 111 18.054 -9.572 -2.369 1.00 33.12 C ATOM 819 O LEU A 111 17.847 -8.757 -1.470 1.00 0.13 O ATOM 820 CB LEU A 111 19.465 -8.801 -4.284 1.00 43.53 C ATOM 821 CG LEU A 111 19.684 -8.704 -5.795 1.00 13.34 C ATOM 822 CD1 LEU A 111 19.528 -10.069 -6.445 1.00 73.41 C ATOM 823 CD2 LEU A 111 18.716 -7.704 -6.410 1.00 52.14 C ATOM 0 H LEU A 111 17.506 -7.125 -3.627 1.00 52.44 H new ATOM 0 HA LEU A 111 17.666 -9.968 -4.433 1.00 2.22 H new ATOM 0 HB2 LEU A 111 19.750 -7.850 -3.834 1.00 43.53 H new ATOM 0 HB3 LEU A 111 20.142 -9.557 -3.887 1.00 43.53 H new ATOM 0 HG LEU A 111 20.700 -8.353 -5.975 1.00 13.34 H new ATOM 0 HD11 LEU A 111 19.687 -9.981 -7.520 1.00 73.41 H new ATOM 0 HD12 LEU A 111 20.261 -10.758 -6.025 1.00 73.41 H new ATOM 0 HD13 LEU A 111 18.524 -10.449 -6.257 1.00 73.41 H new ATOM 0 HD21 LEU A 111 18.886 -7.647 -7.485 1.00 52.14 H new ATOM 0 HD22 LEU A 111 17.692 -8.025 -6.221 1.00 52.14 H new ATOM 0 HD23 LEU A 111 18.876 -6.722 -5.965 1.00 52.14 H new ATOM 835 N ARG A 112 18.297 -10.858 -2.138 1.00 30.10 N ATOM 836 CA ARG A 112 18.335 -11.398 -0.784 1.00 53.50 C ATOM 837 C ARG A 112 19.280 -12.593 -0.701 1.00 51.50 C ATOM 838 O ARG A 112 19.581 -13.230 -1.710 1.00 73.04 O ATOM 839 CB ARG A 112 16.931 -11.812 -0.338 1.00 2.20 C ATOM 840 CG ARG A 112 16.292 -12.859 -1.235 1.00 33.45 C ATOM 841 CD ARG A 112 15.629 -12.225 -2.448 1.00 25.13 C ATOM 842 NE ARG A 112 16.347 -12.528 -3.683 1.00 53.44 N ATOM 843 CZ ARG A 112 16.188 -13.655 -4.368 1.00 52.54 C ATOM 844 NH1 ARG A 112 15.341 -14.580 -3.940 1.00 72.54 N ATOM 845 NH2 ARG A 112 16.877 -13.857 -5.484 1.00 55.23 N ATOM 0 H ARG A 112 18.471 -11.546 -2.871 1.00 30.10 H new ATOM 0 HA ARG A 112 18.705 -10.618 -0.119 1.00 53.50 H new ATOM 0 HB2 ARG A 112 16.982 -12.199 0.680 1.00 2.20 H new ATOM 0 HB3 ARG A 112 16.292 -10.929 -0.312 1.00 2.20 H new ATOM 0 HG2 ARG A 112 17.050 -13.570 -1.564 1.00 33.45 H new ATOM 0 HG3 ARG A 112 15.551 -13.423 -0.668 1.00 33.45 H new ATOM 0 HD2 ARG A 112 14.602 -12.582 -2.528 1.00 25.13 H new ATOM 0 HD3 ARG A 112 15.581 -11.145 -2.312 1.00 25.13 H new ATOM 0 HE ARG A 112 17.007 -11.836 -4.039 1.00 53.44 H new ATOM 0 HH11 ARG A 112 14.809 -14.427 -3.083 1.00 72.54 H new ATOM 0 HH12 ARG A 112 15.221 -15.445 -4.468 1.00 72.54 H new ATOM 0 HH21 ARG A 112 17.529 -13.147 -5.816 1.00 55.23 H new ATOM 0 HH22 ARG A 112 16.754 -14.723 -6.009 1.00 55.23 H new ATOM 859 N ASP A 113 19.745 -12.890 0.507 1.00 13.44 N ATOM 860 CA ASP A 113 20.655 -14.008 0.723 1.00 63.13 C ATOM 861 C ASP A 113 19.882 -15.306 0.930 1.00 32.45 C ATOM 862 O ASP A 113 18.657 -15.299 1.049 1.00 63.11 O ATOM 863 CB ASP A 113 21.554 -13.737 1.930 1.00 1.41 C ATOM 864 CG ASP A 113 22.930 -13.242 1.528 1.00 32.12 C ATOM 865 OD1 ASP A 113 23.709 -14.043 0.971 1.00 24.43 O ATOM 866 OD2 ASP A 113 23.227 -12.054 1.770 1.00 55.41 O ATOM 0 H ASP A 113 19.506 -12.371 1.352 1.00 13.44 H new ATOM 0 HA ASP A 113 21.277 -14.114 -0.166 1.00 63.13 H new ATOM 0 HB2 ASP A 113 21.079 -12.997 2.574 1.00 1.41 H new ATOM 0 HB3 ASP A 113 21.657 -14.651 2.515 1.00 1.41 H new ATOM 871 N GLY A 114 20.606 -16.421 0.973 1.00 51.24 N ATOM 872 CA GLY A 114 19.971 -17.711 1.165 1.00 73.43 C ATOM 873 C GLY A 114 19.675 -18.001 2.623 1.00 54.51 C ATOM 874 O GLY A 114 19.754 -19.147 3.064 1.00 54.32 O ATOM 0 H GLY A 114 21.621 -16.453 0.878 1.00 51.24 H new ATOM 0 HA2 GLY A 114 19.042 -17.743 0.596 1.00 73.43 H new ATOM 0 HA3 GLY A 114 20.617 -18.493 0.766 1.00 73.43 H new ATOM 878 N ALA A 115 19.334 -16.958 3.374 1.00 63.30 N ATOM 879 CA ALA A 115 19.025 -17.106 4.791 1.00 63.02 C ATOM 880 C ALA A 115 17.725 -16.393 5.146 1.00 31.33 C ATOM 881 O ALA A 115 16.929 -16.892 5.941 1.00 24.31 O ATOM 882 CB ALA A 115 20.170 -16.573 5.639 1.00 25.11 C ATOM 0 H ALA A 115 19.265 -16.002 3.025 1.00 63.30 H new ATOM 0 HA ALA A 115 18.896 -18.168 5.001 1.00 63.02 H new ATOM 0 HB1 ALA A 115 19.926 -16.690 6.695 1.00 25.11 H new ATOM 0 HB2 ALA A 115 21.080 -17.129 5.413 1.00 25.11 H new ATOM 0 HB3 ALA A 115 20.326 -15.517 5.417 1.00 25.11 H new ATOM 888 N GLY A 116 17.516 -15.222 4.552 1.00 35.23 N ATOM 889 CA GLY A 116 16.310 -14.460 4.820 1.00 2.41 C ATOM 890 C GLY A 116 16.588 -12.980 4.996 1.00 14.21 C ATOM 891 O GLY A 116 15.902 -12.298 5.758 1.00 12.10 O ATOM 0 H GLY A 116 18.160 -14.788 3.891 1.00 35.23 H new ATOM 0 HA2 GLY A 116 15.606 -14.599 4.000 1.00 2.41 H new ATOM 0 HA3 GLY A 116 15.832 -14.847 5.720 1.00 2.41 H new ATOM 895 N LYS A 117 17.597 -12.481 4.291 1.00 2.20 N ATOM 896 CA LYS A 117 17.965 -11.072 4.372 1.00 23.32 C ATOM 897 C LYS A 117 17.774 -10.382 3.026 1.00 44.43 C ATOM 898 O LYS A 117 18.172 -10.907 1.986 1.00 45.23 O ATOM 899 CB LYS A 117 19.419 -10.929 4.829 1.00 32.32 C ATOM 900 CG LYS A 117 19.614 -9.892 5.922 1.00 73.51 C ATOM 901 CD LYS A 117 19.971 -10.541 7.249 1.00 60.03 C ATOM 902 CE LYS A 117 21.419 -11.007 7.269 1.00 12.24 C ATOM 903 NZ LYS A 117 22.347 -9.914 7.670 1.00 4.14 N ATOM 0 H LYS A 117 18.175 -13.032 3.656 1.00 2.20 H new ATOM 0 HA LYS A 117 17.312 -10.593 5.102 1.00 23.32 H new ATOM 0 HB2 LYS A 117 19.775 -11.895 5.188 1.00 32.32 H new ATOM 0 HB3 LYS A 117 20.036 -10.661 3.971 1.00 32.32 H new ATOM 0 HG2 LYS A 117 20.403 -9.199 5.631 1.00 73.51 H new ATOM 0 HG3 LYS A 117 18.702 -9.306 6.036 1.00 73.51 H new ATOM 0 HD2 LYS A 117 19.805 -9.831 8.059 1.00 60.03 H new ATOM 0 HD3 LYS A 117 19.312 -11.390 7.429 1.00 60.03 H new ATOM 0 HE2 LYS A 117 21.522 -11.843 7.961 1.00 12.24 H new ATOM 0 HE3 LYS A 117 21.696 -11.375 6.281 1.00 12.24 H new ATOM 0 HZ1 LYS A 117 23.324 -10.271 7.672 1.00 4.14 H new ATOM 0 HZ2 LYS A 117 22.267 -9.126 6.996 1.00 4.14 H new ATOM 0 HZ3 LYS A 117 22.099 -9.580 8.623 1.00 4.14 H new ATOM 917 N TYR A 118 17.165 -9.202 3.053 1.00 53.35 N ATOM 918 CA TYR A 118 16.921 -8.440 1.834 1.00 55.34 C ATOM 919 C TYR A 118 17.896 -7.273 1.716 1.00 1.42 C ATOM 920 O TYR A 118 18.464 -6.820 2.711 1.00 71.35 O ATOM 921 CB TYR A 118 15.482 -7.921 1.811 1.00 11.43 C ATOM 922 CG TYR A 118 14.442 -9.016 1.880 1.00 12.12 C ATOM 923 CD1 TYR A 118 14.141 -9.786 0.764 1.00 62.44 C ATOM 924 CD2 TYR A 118 13.759 -9.280 3.061 1.00 1.31 C ATOM 925 CE1 TYR A 118 13.191 -10.788 0.821 1.00 2.24 C ATOM 926 CE2 TYR A 118 12.809 -10.280 3.129 1.00 53.05 C ATOM 927 CZ TYR A 118 12.528 -11.031 2.006 1.00 21.02 C ATOM 928 OH TYR A 118 11.581 -12.027 2.069 1.00 60.41 O ATOM 0 H TYR A 118 16.831 -8.752 3.906 1.00 53.35 H new ATOM 0 HA TYR A 118 17.074 -9.105 0.984 1.00 55.34 H new ATOM 0 HB2 TYR A 118 15.337 -7.240 2.650 1.00 11.43 H new ATOM 0 HB3 TYR A 118 15.328 -7.342 0.900 1.00 11.43 H new ATOM 0 HD1 TYR A 118 14.659 -9.598 -0.165 1.00 62.44 H new ATOM 0 HD2 TYR A 118 13.975 -8.693 3.941 1.00 1.31 H new ATOM 0 HE1 TYR A 118 12.969 -11.377 -0.057 1.00 2.24 H new ATOM 0 HE2 TYR A 118 12.289 -10.473 4.056 1.00 53.05 H new ATOM 0 HH TYR A 118 10.799 -11.769 1.538 1.00 60.41 H new ATOM 938 N PHE A 119 18.085 -6.789 0.493 1.00 62.01 N ATOM 939 CA PHE A 119 18.992 -5.675 0.243 1.00 11.42 C ATOM 940 C PHE A 119 18.860 -5.177 -1.193 1.00 71.54 C ATOM 941 O PHE A 119 18.240 -5.831 -2.034 1.00 42.42 O ATOM 942 CB PHE A 119 20.437 -6.094 0.519 1.00 44.11 C ATOM 943 CG PHE A 119 20.678 -7.566 0.346 1.00 71.35 C ATOM 944 CD1 PHE A 119 20.390 -8.192 -0.857 1.00 10.13 C ATOM 945 CD2 PHE A 119 21.191 -8.325 1.385 1.00 4.11 C ATOM 946 CE1 PHE A 119 20.610 -9.547 -1.020 1.00 5.32 C ATOM 947 CE2 PHE A 119 21.414 -9.680 1.228 1.00 43.22 C ATOM 948 CZ PHE A 119 21.122 -10.292 0.024 1.00 4.34 C ATOM 0 H PHE A 119 17.622 -7.151 -0.341 1.00 62.01 H new ATOM 0 HA PHE A 119 18.722 -4.862 0.917 1.00 11.42 H new ATOM 0 HB2 PHE A 119 21.100 -5.544 -0.149 1.00 44.11 H new ATOM 0 HB3 PHE A 119 20.702 -5.808 1.537 1.00 44.11 H new ATOM 0 HD1 PHE A 119 19.989 -7.614 -1.677 1.00 10.13 H new ATOM 0 HD2 PHE A 119 21.419 -7.852 2.329 1.00 4.11 H new ATOM 0 HE1 PHE A 119 20.382 -10.022 -1.963 1.00 5.32 H new ATOM 0 HE2 PHE A 119 21.816 -10.260 2.046 1.00 43.22 H new ATOM 0 HZ PHE A 119 21.294 -11.351 -0.100 1.00 4.34 H new ATOM 958 N LEU A 120 19.446 -4.017 -1.468 1.00 30.33 N ATOM 959 CA LEU A 120 19.394 -3.431 -2.802 1.00 43.33 C ATOM 960 C LEU A 120 20.799 -3.168 -3.336 1.00 73.15 C ATOM 961 O LEU A 120 21.311 -3.925 -4.162 1.00 11.53 O ATOM 962 CB LEU A 120 18.594 -2.127 -2.777 1.00 70.34 C ATOM 963 CG LEU A 120 17.384 -2.065 -3.710 1.00 51.21 C ATOM 964 CD1 LEU A 120 16.244 -2.911 -3.164 1.00 5.13 C ATOM 965 CD2 LEU A 120 16.935 -0.624 -3.905 1.00 52.01 C ATOM 0 H LEU A 120 19.963 -3.464 -0.784 1.00 30.33 H new ATOM 0 HA LEU A 120 18.900 -4.141 -3.465 1.00 43.33 H new ATOM 0 HB2 LEU A 120 18.251 -1.954 -1.757 1.00 70.34 H new ATOM 0 HB3 LEU A 120 19.266 -1.307 -3.031 1.00 70.34 H new ATOM 0 HG LEU A 120 17.676 -2.469 -4.680 1.00 51.21 H new ATOM 0 HD11 LEU A 120 15.392 -2.854 -3.841 1.00 5.13 H new ATOM 0 HD12 LEU A 120 16.570 -3.948 -3.076 1.00 5.13 H new ATOM 0 HD13 LEU A 120 15.952 -2.538 -2.182 1.00 5.13 H new ATOM 0 HD21 LEU A 120 16.073 -0.599 -4.572 1.00 52.01 H new ATOM 0 HD22 LEU A 120 16.661 -0.195 -2.941 1.00 52.01 H new ATOM 0 HD23 LEU A 120 17.749 -0.045 -4.342 1.00 52.01 H new ATOM 977 N TRP A 121 21.416 -2.094 -2.859 1.00 1.30 N ATOM 978 CA TRP A 121 22.763 -1.733 -3.287 1.00 51.11 C ATOM 979 C TRP A 121 23.802 -2.224 -2.286 1.00 4.24 C ATOM 980 O TRP A 121 24.598 -3.113 -2.588 1.00 21.34 O ATOM 981 CB TRP A 121 22.877 -0.217 -3.458 1.00 20.22 C ATOM 982 CG TRP A 121 21.969 0.331 -4.516 1.00 52.53 C ATOM 983 CD1 TRP A 121 20.753 0.923 -4.327 1.00 12.34 C ATOM 984 CD2 TRP A 121 22.204 0.337 -5.929 1.00 20.04 C ATOM 985 NE1 TRP A 121 20.218 1.296 -5.536 1.00 52.40 N ATOM 986 CE2 TRP A 121 21.089 0.949 -6.534 1.00 71.42 C ATOM 987 CE3 TRP A 121 23.249 -0.113 -6.740 1.00 74.23 C ATOM 988 CZ2 TRP A 121 20.991 1.119 -7.913 1.00 20.14 C ATOM 989 CZ3 TRP A 121 23.150 0.056 -8.108 1.00 52.21 C ATOM 990 CH2 TRP A 121 22.028 0.669 -8.683 1.00 63.42 C ATOM 0 H TRP A 121 21.006 -1.457 -2.176 1.00 1.30 H new ATOM 0 HA TRP A 121 22.954 -2.215 -4.246 1.00 51.11 H new ATOM 0 HB2 TRP A 121 22.650 0.267 -2.508 1.00 20.22 H new ATOM 0 HB3 TRP A 121 23.907 0.037 -3.706 1.00 20.22 H new ATOM 0 HD1 TRP A 121 20.281 1.076 -3.368 1.00 12.34 H new ATOM 0 HE1 TRP A 121 19.318 1.757 -5.669 1.00 52.40 H new ATOM 0 HE3 TRP A 121 24.118 -0.584 -6.306 1.00 74.23 H new ATOM 0 HZ2 TRP A 121 20.127 1.589 -8.358 1.00 20.14 H new ATOM 0 HZ3 TRP A 121 23.951 -0.290 -8.745 1.00 52.21 H new ATOM 0 HH2 TRP A 121 21.982 0.788 -9.755 1.00 63.42 H new ATOM 1001 N VAL A 122 23.790 -1.639 -1.092 1.00 23.12 N ATOM 1002 CA VAL A 122 24.732 -2.019 -0.045 1.00 53.41 C ATOM 1003 C VAL A 122 24.014 -2.263 1.277 1.00 13.14 C ATOM 1004 O VAL A 122 24.443 -3.086 2.086 1.00 14.24 O ATOM 1005 CB VAL A 122 25.809 -0.937 0.160 1.00 13.23 C ATOM 1006 CG1 VAL A 122 26.735 -0.870 -1.045 1.00 12.35 C ATOM 1007 CG2 VAL A 122 25.162 0.415 0.422 1.00 3.12 C ATOM 0 H VAL A 122 23.139 -0.901 -0.826 1.00 23.12 H new ATOM 0 HA VAL A 122 25.212 -2.942 -0.370 1.00 53.41 H new ATOM 0 HB VAL A 122 26.406 -1.204 1.032 1.00 13.23 H new ATOM 0 HG11 VAL A 122 27.489 -0.100 -0.882 1.00 12.35 H new ATOM 0 HG12 VAL A 122 27.224 -1.834 -1.182 1.00 12.35 H new ATOM 0 HG13 VAL A 122 26.156 -0.628 -1.936 1.00 12.35 H new ATOM 0 HG21 VAL A 122 25.937 1.168 0.565 1.00 3.12 H new ATOM 0 HG22 VAL A 122 24.540 0.692 -0.429 1.00 3.12 H new ATOM 0 HG23 VAL A 122 24.545 0.355 1.318 1.00 3.12 H new ATOM 1017 N VAL A 123 22.917 -1.542 1.491 1.00 22.52 N ATOM 1018 CA VAL A 123 22.138 -1.682 2.715 1.00 14.23 C ATOM 1019 C VAL A 123 21.238 -2.911 2.657 1.00 71.20 C ATOM 1020 O VAL A 123 20.767 -3.300 1.588 1.00 52.41 O ATOM 1021 CB VAL A 123 21.270 -0.436 2.973 1.00 55.22 C ATOM 1022 CG1 VAL A 123 20.084 -0.404 2.020 1.00 64.23 C ATOM 1023 CG2 VAL A 123 20.802 -0.403 4.420 1.00 54.32 C ATOM 0 H VAL A 123 22.549 -0.856 0.833 1.00 22.52 H new ATOM 0 HA VAL A 123 22.851 -1.796 3.532 1.00 14.23 H new ATOM 0 HB VAL A 123 21.876 0.451 2.791 1.00 55.22 H new ATOM 0 HG11 VAL A 123 19.482 0.483 2.217 1.00 64.23 H new ATOM 0 HG12 VAL A 123 20.444 -0.377 0.992 1.00 64.23 H new ATOM 0 HG13 VAL A 123 19.475 -1.296 2.167 1.00 64.23 H new ATOM 0 HG21 VAL A 123 20.190 0.484 4.584 1.00 54.32 H new ATOM 0 HG22 VAL A 123 20.213 -1.295 4.632 1.00 54.32 H new ATOM 0 HG23 VAL A 123 21.668 -0.374 5.082 1.00 54.32 H new ATOM 1033 N LYS A 124 21.002 -3.521 3.814 1.00 44.50 N ATOM 1034 CA LYS A 124 20.157 -4.706 3.897 1.00 43.11 C ATOM 1035 C LYS A 124 19.237 -4.634 5.111 1.00 21.23 C ATOM 1036 O LYS A 124 19.358 -3.733 5.942 1.00 70.41 O ATOM 1037 CB LYS A 124 21.020 -5.968 3.971 1.00 54.01 C ATOM 1038 CG LYS A 124 21.707 -6.158 5.312 1.00 14.52 C ATOM 1039 CD LYS A 124 23.176 -6.504 5.142 1.00 2.11 C ATOM 1040 CE LYS A 124 24.015 -5.953 6.285 1.00 33.14 C ATOM 1041 NZ LYS A 124 25.235 -5.256 5.793 1.00 52.13 N ATOM 0 H LYS A 124 21.385 -3.213 4.708 1.00 44.50 H new ATOM 0 HA LYS A 124 19.541 -4.747 2.999 1.00 43.11 H new ATOM 0 HB2 LYS A 124 20.395 -6.837 3.766 1.00 54.01 H new ATOM 0 HB3 LYS A 124 21.777 -5.927 3.187 1.00 54.01 H new ATOM 0 HG2 LYS A 124 21.613 -5.247 5.902 1.00 14.52 H new ATOM 0 HG3 LYS A 124 21.208 -6.951 5.868 1.00 14.52 H new ATOM 0 HD2 LYS A 124 23.292 -7.587 5.093 1.00 2.11 H new ATOM 0 HD3 LYS A 124 23.539 -6.101 4.196 1.00 2.11 H new ATOM 0 HE2 LYS A 124 23.415 -5.261 6.875 1.00 33.14 H new ATOM 0 HE3 LYS A 124 24.305 -6.768 6.948 1.00 33.14 H new ATOM 0 HZ1 LYS A 124 25.779 -4.895 6.603 1.00 52.13 H new ATOM 0 HZ2 LYS A 124 25.821 -5.923 5.251 1.00 52.13 H new ATOM 0 HZ3 LYS A 124 24.958 -4.462 5.181 1.00 52.13 H new ATOM 1055 N PHE A 125 18.319 -5.590 5.209 1.00 14.52 N ATOM 1056 CA PHE A 125 17.378 -5.635 6.323 1.00 42.31 C ATOM 1057 C PHE A 125 16.823 -7.044 6.509 1.00 3.23 C ATOM 1058 O PHE A 125 17.043 -7.924 5.678 1.00 53.40 O ATOM 1059 CB PHE A 125 16.231 -4.649 6.090 1.00 61.44 C ATOM 1060 CG PHE A 125 16.644 -3.416 5.339 1.00 53.24 C ATOM 1061 CD1 PHE A 125 16.914 -3.473 3.981 1.00 62.31 C ATOM 1062 CD2 PHE A 125 16.762 -2.199 5.991 1.00 53.15 C ATOM 1063 CE1 PHE A 125 17.294 -2.340 3.287 1.00 52.13 C ATOM 1064 CE2 PHE A 125 17.140 -1.062 5.302 1.00 65.35 C ATOM 1065 CZ PHE A 125 17.408 -1.133 3.948 1.00 20.03 C ATOM 0 H PHE A 125 18.206 -6.344 4.531 1.00 14.52 H new ATOM 0 HA PHE A 125 17.913 -5.351 7.230 1.00 42.31 H new ATOM 0 HB2 PHE A 125 15.437 -5.152 5.538 1.00 61.44 H new ATOM 0 HB3 PHE A 125 15.814 -4.355 7.053 1.00 61.44 H new ATOM 0 HD1 PHE A 125 16.826 -4.414 3.459 1.00 62.31 H new ATOM 0 HD2 PHE A 125 16.556 -2.138 7.049 1.00 53.15 H new ATOM 0 HE1 PHE A 125 17.502 -2.399 2.229 1.00 52.13 H new ATOM 0 HE2 PHE A 125 17.226 -0.119 5.821 1.00 65.35 H new ATOM 0 HZ PHE A 125 17.706 -0.246 3.408 1.00 20.03 H new ATOM 1075 N ASN A 126 16.104 -7.249 7.608 1.00 73.43 N ATOM 1076 CA ASN A 126 15.518 -8.551 7.905 1.00 31.41 C ATOM 1077 C ASN A 126 14.242 -8.771 7.098 1.00 70.01 C ATOM 1078 O ASN A 126 14.113 -9.762 6.378 1.00 1.54 O ATOM 1079 CB ASN A 126 15.215 -8.668 9.400 1.00 22.33 C ATOM 1080 CG ASN A 126 16.456 -8.967 10.220 1.00 51.23 C ATOM 1081 OD1 ASN A 126 16.581 -10.041 10.808 1.00 63.13 O ATOM 1082 ND2 ASN A 126 17.380 -8.014 10.262 1.00 21.20 N ATOM 0 H ASN A 126 15.913 -6.531 8.307 1.00 73.43 H new ATOM 0 HA ASN A 126 16.240 -9.318 7.626 1.00 31.41 H new ATOM 0 HB2 ASN A 126 14.766 -7.739 9.751 1.00 22.33 H new ATOM 0 HB3 ASN A 126 14.480 -9.457 9.558 1.00 22.33 H new ATOM 0 HD21 ASN A 126 18.236 -8.157 10.798 1.00 21.20 H new ATOM 0 HD22 ASN A 126 17.233 -7.139 9.759 1.00 21.20 H new ATOM 1089 N SER A 127 13.302 -7.840 7.222 1.00 12.34 N ATOM 1090 CA SER A 127 12.034 -7.933 6.507 1.00 4.42 C ATOM 1091 C SER A 127 11.934 -6.849 5.437 1.00 33.45 C ATOM 1092 O SER A 127 12.612 -5.824 5.510 1.00 50.31 O ATOM 1093 CB SER A 127 10.863 -7.811 7.484 1.00 23.10 C ATOM 1094 OG SER A 127 10.891 -6.566 8.161 1.00 73.32 O ATOM 0 H SER A 127 13.394 -7.012 7.811 1.00 12.34 H new ATOM 0 HA SER A 127 11.990 -8.907 6.019 1.00 4.42 H new ATOM 0 HB2 SER A 127 9.922 -7.913 6.943 1.00 23.10 H new ATOM 0 HB3 SER A 127 10.904 -8.624 8.209 1.00 23.10 H new ATOM 0 HG SER A 127 11.515 -5.961 7.708 1.00 73.32 H new ATOM 1100 N LEU A 128 11.083 -7.085 4.445 1.00 53.40 N ATOM 1101 CA LEU A 128 10.892 -6.130 3.359 1.00 55.24 C ATOM 1102 C LEU A 128 10.339 -4.809 3.885 1.00 20.22 C ATOM 1103 O LEU A 128 10.508 -3.762 3.262 1.00 75.11 O ATOM 1104 CB LEU A 128 9.945 -6.708 2.306 1.00 73.34 C ATOM 1105 CG LEU A 128 10.522 -7.811 1.418 1.00 73.33 C ATOM 1106 CD1 LEU A 128 9.422 -8.463 0.594 1.00 61.22 C ATOM 1107 CD2 LEU A 128 11.609 -7.253 0.512 1.00 43.52 C ATOM 0 H LEU A 128 10.515 -7.929 4.370 1.00 53.40 H new ATOM 0 HA LEU A 128 11.863 -5.940 2.901 1.00 55.24 H new ATOM 0 HB2 LEU A 128 9.065 -7.102 2.815 1.00 73.34 H new ATOM 0 HB3 LEU A 128 9.605 -5.894 1.666 1.00 73.34 H new ATOM 0 HG LEU A 128 10.967 -8.572 2.060 1.00 73.33 H new ATOM 0 HD11 LEU A 128 9.851 -9.245 -0.032 1.00 61.22 H new ATOM 0 HD12 LEU A 128 8.678 -8.899 1.261 1.00 61.22 H new ATOM 0 HD13 LEU A 128 8.947 -7.712 -0.038 1.00 61.22 H new ATOM 0 HD21 LEU A 128 12.008 -8.052 -0.113 1.00 43.52 H new ATOM 0 HD22 LEU A 128 11.189 -6.472 -0.122 1.00 43.52 H new ATOM 0 HD23 LEU A 128 12.410 -6.834 1.121 1.00 43.52 H new ATOM 1119 N ASN A 129 9.680 -4.867 5.038 1.00 3.01 N ATOM 1120 CA ASN A 129 9.104 -3.675 5.650 1.00 44.11 C ATOM 1121 C ASN A 129 10.181 -2.629 5.922 1.00 40.44 C ATOM 1122 O ASN A 129 9.934 -1.428 5.814 1.00 62.01 O ATOM 1123 CB ASN A 129 8.391 -4.039 6.953 1.00 31.24 C ATOM 1124 CG ASN A 129 9.060 -3.427 8.169 1.00 34.21 C ATOM 1125 OD1 ASN A 129 8.694 -2.190 8.485 1.00 5.53 O flip ATOM 1126 ND2 ASN A 129 9.894 -4.060 8.816 1.00 24.22 N flip ATOM 0 H ASN A 129 9.532 -5.726 5.567 1.00 3.01 H new ATOM 0 HA ASN A 129 8.380 -3.253 4.953 1.00 44.11 H new ATOM 0 HB2 ASN A 129 7.355 -3.702 6.904 1.00 31.24 H new ATOM 0 HB3 ASN A 129 8.369 -5.123 7.061 1.00 31.24 H new ATOM 0 HD21 ASN A 129 10.144 -5.008 8.536 1.00 24.22 H new ATOM 0 HD22 ASN A 129 10.335 -3.636 9.632 1.00 24.22 H new ATOM 1133 N GLU A 130 11.375 -3.094 6.274 1.00 64.12 N ATOM 1134 CA GLU A 130 12.489 -2.198 6.561 1.00 64.10 C ATOM 1135 C GLU A 130 12.923 -1.449 5.304 1.00 21.12 C ATOM 1136 O GLU A 130 13.534 -0.382 5.383 1.00 33.20 O ATOM 1137 CB GLU A 130 13.671 -2.984 7.133 1.00 60.33 C ATOM 1138 CG GLU A 130 13.965 -2.668 8.589 1.00 11.15 C ATOM 1139 CD GLU A 130 14.631 -1.318 8.770 1.00 11.33 C ATOM 1140 OE1 GLU A 130 14.351 -0.405 7.965 1.00 24.03 O ATOM 1141 OE2 GLU A 130 15.432 -1.174 9.718 1.00 72.12 O ATOM 0 H GLU A 130 11.596 -4.085 6.367 1.00 64.12 H new ATOM 0 HA GLU A 130 12.155 -1.470 7.300 1.00 64.10 H new ATOM 0 HB2 GLU A 130 13.468 -4.051 7.035 1.00 60.33 H new ATOM 0 HB3 GLU A 130 14.559 -2.772 6.538 1.00 60.33 H new ATOM 0 HG2 GLU A 130 13.035 -2.689 9.156 1.00 11.15 H new ATOM 0 HG3 GLU A 130 14.608 -3.445 9.003 1.00 11.15 H new ATOM 1148 N LEU A 131 12.604 -2.015 4.146 1.00 61.34 N ATOM 1149 CA LEU A 131 12.961 -1.402 2.871 1.00 74.53 C ATOM 1150 C LEU A 131 11.995 -0.275 2.519 1.00 32.34 C ATOM 1151 O LEU A 131 12.407 0.865 2.305 1.00 75.10 O ATOM 1152 CB LEU A 131 12.961 -2.454 1.760 1.00 41.25 C ATOM 1153 CG LEU A 131 14.267 -3.225 1.566 1.00 61.20 C ATOM 1154 CD1 LEU A 131 14.065 -4.702 1.869 1.00 51.33 C ATOM 1155 CD2 LEU A 131 14.793 -3.036 0.151 1.00 64.23 C ATOM 0 H LEU A 131 12.099 -2.897 4.063 1.00 61.34 H new ATOM 0 HA LEU A 131 13.962 -0.981 2.966 1.00 74.53 H new ATOM 0 HB2 LEU A 131 12.166 -3.171 1.966 1.00 41.25 H new ATOM 0 HB3 LEU A 131 12.710 -1.961 0.821 1.00 41.25 H new ATOM 0 HG LEU A 131 15.007 -2.830 2.263 1.00 61.20 H new ATOM 0 HD11 LEU A 131 15.005 -5.235 1.726 1.00 51.33 H new ATOM 0 HD12 LEU A 131 13.735 -4.820 2.901 1.00 51.33 H new ATOM 0 HD13 LEU A 131 13.310 -5.111 1.198 1.00 51.33 H new ATOM 0 HD21 LEU A 131 15.723 -3.592 0.031 1.00 64.23 H new ATOM 0 HD22 LEU A 131 14.056 -3.403 -0.563 1.00 64.23 H new ATOM 0 HD23 LEU A 131 14.977 -1.977 -0.030 1.00 64.23 H new ATOM 1167 N VAL A 132 10.707 -0.602 2.464 1.00 4.42 N ATOM 1168 CA VAL A 132 9.682 0.384 2.142 1.00 21.25 C ATOM 1169 C VAL A 132 9.844 1.642 2.989 1.00 71.43 C ATOM 1170 O VAL A 132 9.727 2.759 2.486 1.00 1.53 O ATOM 1171 CB VAL A 132 8.268 -0.187 2.357 1.00 72.33 C ATOM 1172 CG1 VAL A 132 7.980 -1.292 1.351 1.00 31.05 C ATOM 1173 CG2 VAL A 132 8.110 -0.697 3.781 1.00 33.02 C ATOM 0 H VAL A 132 10.349 -1.541 2.638 1.00 4.42 H new ATOM 0 HA VAL A 132 9.807 0.639 1.090 1.00 21.25 H new ATOM 0 HB VAL A 132 7.544 0.613 2.200 1.00 72.33 H new ATOM 0 HG11 VAL A 132 6.977 -1.684 1.518 1.00 31.05 H new ATOM 0 HG12 VAL A 132 8.049 -0.891 0.340 1.00 31.05 H new ATOM 0 HG13 VAL A 132 8.708 -2.094 1.474 1.00 31.05 H new ATOM 0 HG21 VAL A 132 7.105 -1.097 3.915 1.00 33.02 H new ATOM 0 HG22 VAL A 132 8.841 -1.483 3.969 1.00 33.02 H new ATOM 0 HG23 VAL A 132 8.270 0.123 4.481 1.00 33.02 H new ATOM 1183 N ASP A 133 10.114 1.451 4.275 1.00 11.44 N ATOM 1184 CA ASP A 133 10.294 2.571 5.192 1.00 32.15 C ATOM 1185 C ASP A 133 11.663 3.216 5.001 1.00 72.03 C ATOM 1186 O ASP A 133 11.763 4.385 4.628 1.00 14.33 O ATOM 1187 CB ASP A 133 10.135 2.103 6.640 1.00 61.31 C ATOM 1188 CG ASP A 133 9.889 3.253 7.597 1.00 75.44 C ATOM 1189 OD1 ASP A 133 8.841 3.919 7.465 1.00 41.33 O ATOM 1190 OD2 ASP A 133 10.743 3.486 8.477 1.00 45.54 O ATOM 0 H ASP A 133 10.213 0.532 4.706 1.00 11.44 H new ATOM 0 HA ASP A 133 9.528 3.315 4.972 1.00 32.15 H new ATOM 0 HB2 ASP A 133 9.305 1.399 6.702 1.00 61.31 H new ATOM 0 HB3 ASP A 133 11.033 1.566 6.946 1.00 61.31 H new ATOM 1195 N TYR A 134 12.715 2.447 5.258 1.00 33.23 N ATOM 1196 CA TYR A 134 14.078 2.944 5.117 1.00 0.25 C ATOM 1197 C TYR A 134 14.196 3.880 3.918 1.00 75.40 C ATOM 1198 O TYR A 134 14.801 4.948 4.006 1.00 43.11 O ATOM 1199 CB TYR A 134 15.056 1.778 4.966 1.00 32.44 C ATOM 1200 CG TYR A 134 16.481 2.212 4.709 1.00 61.42 C ATOM 1201 CD1 TYR A 134 16.887 2.618 3.444 1.00 72.55 C ATOM 1202 CD2 TYR A 134 17.422 2.217 5.731 1.00 31.34 C ATOM 1203 CE1 TYR A 134 18.188 3.014 3.204 1.00 41.03 C ATOM 1204 CE2 TYR A 134 18.725 2.613 5.501 1.00 41.00 C ATOM 1205 CZ TYR A 134 19.103 3.010 4.235 1.00 4.35 C ATOM 1206 OH TYR A 134 20.400 3.406 4.001 1.00 64.01 O ATOM 0 H TYR A 134 12.650 1.477 5.565 1.00 33.23 H new ATOM 0 HA TYR A 134 14.328 3.504 6.018 1.00 0.25 H new ATOM 0 HB2 TYR A 134 15.028 1.171 5.871 1.00 32.44 H new ATOM 0 HB3 TYR A 134 14.725 1.141 4.145 1.00 32.44 H new ATOM 0 HD1 TYR A 134 16.173 2.624 2.634 1.00 72.55 H new ATOM 0 HD2 TYR A 134 17.129 1.906 6.723 1.00 31.34 H new ATOM 0 HE1 TYR A 134 18.487 3.325 2.214 1.00 41.03 H new ATOM 0 HE2 TYR A 134 19.444 2.612 6.307 1.00 41.00 H new ATOM 0 HH TYR A 134 20.915 3.346 4.832 1.00 64.01 H new ATOM 1216 N HIS A 135 13.611 3.470 2.797 1.00 72.33 N ATOM 1217 CA HIS A 135 13.648 4.271 1.578 1.00 31.43 C ATOM 1218 C HIS A 135 12.597 5.376 1.623 1.00 42.15 C ATOM 1219 O HIS A 135 12.787 6.449 1.050 1.00 3.55 O ATOM 1220 CB HIS A 135 13.421 3.384 0.353 1.00 3.42 C ATOM 1221 CG HIS A 135 14.475 2.337 0.169 1.00 64.44 C ATOM 1222 ND1 HIS A 135 15.820 2.629 0.080 1.00 0.11 N ATOM 1223 CD2 HIS A 135 14.377 0.991 0.058 1.00 55.23 C ATOM 1224 CE1 HIS A 135 16.502 1.509 -0.079 1.00 44.32 C ATOM 1225 NE2 HIS A 135 15.650 0.501 -0.096 1.00 31.44 N ATOM 0 H HIS A 135 13.106 2.588 2.707 1.00 72.33 H new ATOM 0 HA HIS A 135 14.633 4.733 1.505 1.00 31.43 H new ATOM 0 HB2 HIS A 135 12.449 2.898 0.441 1.00 3.42 H new ATOM 0 HB3 HIS A 135 13.384 4.011 -0.538 1.00 3.42 H new ATOM 0 HD1 HIS A 135 16.225 3.564 0.129 1.00 0.11 H new ATOM 0 HD2 HIS A 135 13.466 0.411 0.086 1.00 55.23 H new ATOM 0 HE1 HIS A 135 17.575 1.431 -0.178 1.00 44.32 H new ATOM 1233 N ARG A 136 11.489 5.106 2.305 1.00 61.45 N ATOM 1234 CA ARG A 136 10.408 6.076 2.421 1.00 12.54 C ATOM 1235 C ARG A 136 10.923 7.400 2.979 1.00 63.01 C ATOM 1236 O ARG A 136 10.377 8.463 2.686 1.00 42.44 O ATOM 1237 CB ARG A 136 9.298 5.530 3.321 1.00 72.41 C ATOM 1238 CG ARG A 136 8.258 6.569 3.706 1.00 51.34 C ATOM 1239 CD ARG A 136 7.561 6.205 5.007 1.00 74.11 C ATOM 1240 NE ARG A 136 6.910 4.899 4.932 1.00 1.43 N ATOM 1241 CZ ARG A 136 6.028 4.466 5.826 1.00 72.13 C ATOM 1242 NH1 ARG A 136 5.692 5.230 6.856 1.00 41.33 N ATOM 1243 NH2 ARG A 136 5.479 3.266 5.689 1.00 33.43 N ATOM 0 H ARG A 136 11.317 4.223 2.786 1.00 61.45 H new ATOM 0 HA ARG A 136 10.005 6.253 1.424 1.00 12.54 H new ATOM 0 HB2 ARG A 136 8.802 4.704 2.811 1.00 72.41 H new ATOM 0 HB3 ARG A 136 9.745 5.123 4.228 1.00 72.41 H new ATOM 0 HG2 ARG A 136 8.736 7.543 3.809 1.00 51.34 H new ATOM 0 HG3 ARG A 136 7.520 6.659 2.909 1.00 51.34 H new ATOM 0 HD2 ARG A 136 8.288 6.202 5.819 1.00 74.11 H new ATOM 0 HD3 ARG A 136 6.819 6.967 5.246 1.00 74.11 H new ATOM 0 HE ARG A 136 7.146 4.287 4.151 1.00 1.43 H new ATOM 0 HH11 ARG A 136 6.111 6.154 6.964 1.00 41.33 H new ATOM 0 HH12 ARG A 136 5.014 4.894 7.540 1.00 41.33 H new ATOM 0 HH21 ARG A 136 5.734 2.676 4.897 1.00 33.43 H new ATOM 0 HH22 ARG A 136 4.802 2.934 6.376 1.00 33.43 H new ATOM 1257 N SER A 137 11.978 7.326 3.785 1.00 52.12 N ATOM 1258 CA SER A 137 12.565 8.517 4.387 1.00 14.51 C ATOM 1259 C SER A 137 13.966 8.769 3.840 1.00 64.32 C ATOM 1260 O SER A 137 14.491 9.879 3.928 1.00 52.55 O ATOM 1261 CB SER A 137 12.617 8.372 5.909 1.00 25.11 C ATOM 1262 OG SER A 137 13.406 9.395 6.492 1.00 15.31 O ATOM 0 H SER A 137 12.443 6.454 4.036 1.00 52.12 H new ATOM 0 HA SER A 137 11.936 9.370 4.132 1.00 14.51 H new ATOM 0 HB2 SER A 137 11.607 8.411 6.316 1.00 25.11 H new ATOM 0 HB3 SER A 137 13.028 7.397 6.171 1.00 25.11 H new ATOM 0 HG SER A 137 13.422 9.281 7.465 1.00 15.31 H new ATOM 1268 N THR A 138 14.569 7.728 3.274 1.00 63.41 N ATOM 1269 CA THR A 138 15.910 7.833 2.713 1.00 3.10 C ATOM 1270 C THR A 138 15.885 7.686 1.196 1.00 51.10 C ATOM 1271 O THR A 138 15.121 6.888 0.653 1.00 50.32 O ATOM 1272 CB THR A 138 16.852 6.768 3.305 1.00 63.31 C ATOM 1273 OG1 THR A 138 16.746 6.759 4.733 1.00 44.21 O ATOM 1274 CG2 THR A 138 18.294 7.035 2.900 1.00 40.01 C ATOM 0 H THR A 138 14.149 6.802 3.192 1.00 63.41 H new ATOM 0 HA THR A 138 16.284 8.823 2.973 1.00 3.10 H new ATOM 0 HB THR A 138 16.556 5.795 2.913 1.00 63.31 H new ATOM 0 HG1 THR A 138 16.051 6.125 5.005 1.00 44.21 H new ATOM 0 HG21 THR A 138 18.940 6.270 3.330 1.00 40.01 H new ATOM 0 HG22 THR A 138 18.377 7.011 1.813 1.00 40.01 H new ATOM 0 HG23 THR A 138 18.599 8.015 3.266 1.00 40.01 H new ATOM 1282 N SER A 139 16.725 8.460 0.517 1.00 43.31 N ATOM 1283 CA SER A 139 16.797 8.418 -0.939 1.00 13.10 C ATOM 1284 C SER A 139 16.791 6.978 -1.442 1.00 24.44 C ATOM 1285 O SER A 139 16.955 6.036 -0.665 1.00 50.32 O ATOM 1286 CB SER A 139 18.055 9.137 -1.430 1.00 72.00 C ATOM 1287 OG SER A 139 19.226 8.505 -0.943 1.00 0.32 O ATOM 0 H SER A 139 17.366 9.124 0.952 1.00 43.31 H new ATOM 0 HA SER A 139 15.919 8.927 -1.336 1.00 13.10 H new ATOM 0 HB2 SER A 139 18.070 9.147 -2.520 1.00 72.00 H new ATOM 0 HB3 SER A 139 18.035 10.176 -1.102 1.00 72.00 H new ATOM 0 HG SER A 139 20.016 8.982 -1.272 1.00 0.32 H new ATOM 1293 N VAL A 140 16.602 6.814 -2.747 1.00 61.31 N ATOM 1294 CA VAL A 140 16.576 5.489 -3.355 1.00 62.15 C ATOM 1295 C VAL A 140 16.749 5.575 -4.868 1.00 13.23 C ATOM 1296 O VAL A 140 17.379 4.714 -5.481 1.00 72.21 O ATOM 1297 CB VAL A 140 15.260 4.753 -3.041 1.00 65.50 C ATOM 1298 CG1 VAL A 140 14.064 5.596 -3.456 1.00 23.44 C ATOM 1299 CG2 VAL A 140 15.232 3.396 -3.730 1.00 13.43 C ATOM 0 H VAL A 140 16.465 7.582 -3.404 1.00 61.31 H new ATOM 0 HA VAL A 140 17.408 4.929 -2.928 1.00 62.15 H new ATOM 0 HB VAL A 140 15.202 4.590 -1.965 1.00 65.50 H new ATOM 0 HG11 VAL A 140 13.143 5.059 -3.226 1.00 23.44 H new ATOM 0 HG12 VAL A 140 14.079 6.541 -2.913 1.00 23.44 H new ATOM 0 HG13 VAL A 140 14.112 5.793 -4.527 1.00 23.44 H new ATOM 0 HG21 VAL A 140 14.295 2.889 -3.498 1.00 13.43 H new ATOM 0 HG22 VAL A 140 15.312 3.534 -4.808 1.00 13.43 H new ATOM 0 HG23 VAL A 140 16.068 2.792 -3.378 1.00 13.43 H new ATOM 1309 N SER A 141 16.185 6.621 -5.463 1.00 51.15 N ATOM 1310 CA SER A 141 16.273 6.819 -6.905 1.00 63.15 C ATOM 1311 C SER A 141 17.560 7.550 -7.276 1.00 22.04 C ATOM 1312 O SER A 141 17.850 8.624 -6.749 1.00 50.53 O ATOM 1313 CB SER A 141 15.063 7.607 -7.409 1.00 14.44 C ATOM 1314 OG SER A 141 14.925 7.488 -8.814 1.00 14.31 O ATOM 0 H SER A 141 15.662 7.344 -4.969 1.00 51.15 H new ATOM 0 HA SER A 141 16.282 5.838 -7.380 1.00 63.15 H new ATOM 0 HB2 SER A 141 14.159 7.244 -6.920 1.00 14.44 H new ATOM 0 HB3 SER A 141 15.171 8.657 -7.139 1.00 14.44 H new ATOM 0 HG SER A 141 14.032 7.144 -9.027 1.00 14.31 H new ATOM 1320 N ARG A 142 18.328 6.959 -8.185 1.00 24.01 N ATOM 1321 CA ARG A 142 19.585 7.552 -8.625 1.00 42.35 C ATOM 1322 C ARG A 142 19.338 8.631 -9.676 1.00 3.21 C ATOM 1323 O ARG A 142 20.275 9.265 -10.160 1.00 55.33 O ATOM 1324 CB ARG A 142 20.511 6.475 -9.193 1.00 70.13 C ATOM 1325 CG ARG A 142 21.066 5.531 -8.139 1.00 11.31 C ATOM 1326 CD ARG A 142 20.580 4.107 -8.355 1.00 63.42 C ATOM 1327 NE ARG A 142 20.802 3.655 -9.726 1.00 52.03 N ATOM 1328 CZ ARG A 142 22.003 3.394 -10.229 1.00 44.31 C ATOM 1329 NH1 ARG A 142 23.086 3.539 -9.477 1.00 51.03 N ATOM 1330 NH2 ARG A 142 22.124 2.987 -11.486 1.00 51.23 N ATOM 0 H ARG A 142 18.102 6.070 -8.631 1.00 24.01 H new ATOM 0 HA ARG A 142 20.063 8.013 -7.760 1.00 42.35 H new ATOM 0 HB2 ARG A 142 19.966 5.895 -9.937 1.00 70.13 H new ATOM 0 HB3 ARG A 142 21.341 6.957 -9.710 1.00 70.13 H new ATOM 0 HG2 ARG A 142 22.155 5.553 -8.167 1.00 11.31 H new ATOM 0 HG3 ARG A 142 20.766 5.873 -7.149 1.00 11.31 H new ATOM 0 HD2 ARG A 142 21.096 3.439 -7.665 1.00 63.42 H new ATOM 0 HD3 ARG A 142 19.517 4.047 -8.121 1.00 63.42 H new ATOM 0 HE ARG A 142 19.990 3.533 -10.331 1.00 52.03 H new ATOM 0 HH11 ARG A 142 22.997 3.852 -8.510 1.00 51.03 H new ATOM 0 HH12 ARG A 142 24.007 3.338 -9.866 1.00 51.03 H new ATOM 0 HH21 ARG A 142 21.294 2.874 -12.068 1.00 51.23 H new ATOM 0 HH22 ARG A 142 23.047 2.787 -11.871 1.00 51.23 H new ATOM 1344 N ASN A 143 18.071 8.833 -10.023 1.00 63.11 N ATOM 1345 CA ASN A 143 17.701 9.834 -11.017 1.00 3.11 C ATOM 1346 C ASN A 143 17.407 11.176 -10.354 1.00 11.14 C ATOM 1347 O ASN A 143 17.996 12.197 -10.708 1.00 62.40 O ATOM 1348 CB ASN A 143 16.480 9.367 -11.812 1.00 65.20 C ATOM 1349 CG ASN A 143 16.800 9.129 -13.275 1.00 70.32 C ATOM 1350 OD1 ASN A 143 16.709 8.004 -13.767 1.00 31.31 O ATOM 1351 ND2 ASN A 143 17.177 10.190 -13.979 1.00 2.14 N ATOM 0 H ASN A 143 17.283 8.317 -9.631 1.00 63.11 H new ATOM 0 HA ASN A 143 18.542 9.962 -11.698 1.00 3.11 H new ATOM 0 HB2 ASN A 143 16.094 8.447 -11.373 1.00 65.20 H new ATOM 0 HB3 ASN A 143 15.690 10.114 -11.732 1.00 65.20 H new ATOM 0 HD21 ASN A 143 17.405 10.091 -14.968 1.00 2.14 H new ATOM 0 HD22 ASN A 143 17.239 11.104 -13.530 1.00 2.14 H new ATOM 1358 N GLN A 144 16.492 11.165 -9.389 1.00 41.34 N ATOM 1359 CA GLN A 144 16.120 12.382 -8.677 1.00 32.32 C ATOM 1360 C GLN A 144 16.090 12.143 -7.171 1.00 24.12 C ATOM 1361 O GLN A 144 16.482 11.078 -6.695 1.00 4.04 O ATOM 1362 CB GLN A 144 14.754 12.879 -9.153 1.00 51.20 C ATOM 1363 CG GLN A 144 14.837 14.030 -10.143 1.00 12.02 C ATOM 1364 CD GLN A 144 14.282 13.668 -11.506 1.00 53.23 C ATOM 1365 OE1 GLN A 144 13.078 13.770 -11.746 1.00 43.35 O ATOM 1366 NE2 GLN A 144 15.158 13.242 -12.409 1.00 0.54 N ATOM 0 H GLN A 144 15.996 10.328 -9.083 1.00 41.34 H new ATOM 0 HA GLN A 144 16.871 13.143 -8.892 1.00 32.32 H new ATOM 0 HB2 GLN A 144 14.216 12.051 -9.615 1.00 51.20 H new ATOM 0 HB3 GLN A 144 14.170 13.195 -8.289 1.00 51.20 H new ATOM 0 HG2 GLN A 144 14.289 14.885 -9.747 1.00 12.02 H new ATOM 0 HG3 GLN A 144 15.877 14.339 -10.249 1.00 12.02 H new ATOM 0 HE21 GLN A 144 16.147 13.173 -12.167 1.00 0.54 H new ATOM 0 HE22 GLN A 144 14.842 12.984 -13.344 1.00 0.54 H new ATOM 1375 N GLN A 145 15.624 13.141 -6.427 1.00 74.14 N ATOM 1376 CA GLN A 145 15.545 13.039 -4.975 1.00 35.20 C ATOM 1377 C GLN A 145 14.117 12.745 -4.527 1.00 33.31 C ATOM 1378 O GLN A 145 13.434 13.615 -3.986 1.00 51.34 O ATOM 1379 CB GLN A 145 16.040 14.331 -4.324 1.00 0.30 C ATOM 1380 CG GLN A 145 15.368 15.582 -4.866 1.00 51.25 C ATOM 1381 CD GLN A 145 14.941 16.538 -3.770 1.00 23.23 C ATOM 1382 OE1 GLN A 145 15.571 17.573 -3.553 1.00 3.40 O ATOM 1383 NE2 GLN A 145 13.866 16.195 -3.071 1.00 33.25 N ATOM 0 H GLN A 145 15.296 14.029 -6.806 1.00 74.14 H new ATOM 0 HA GLN A 145 16.183 12.214 -4.659 1.00 35.20 H new ATOM 0 HB2 GLN A 145 15.870 14.274 -3.249 1.00 0.30 H new ATOM 0 HB3 GLN A 145 17.117 14.414 -4.473 1.00 0.30 H new ATOM 0 HG2 GLN A 145 16.053 16.094 -5.542 1.00 51.25 H new ATOM 0 HG3 GLN A 145 14.495 15.295 -5.453 1.00 51.25 H new ATOM 0 HE21 GLN A 145 13.374 15.328 -3.285 1.00 33.25 H new ATOM 0 HE22 GLN A 145 13.532 16.799 -2.320 1.00 33.25 H new ATOM 1392 N ILE A 146 13.672 11.514 -4.755 1.00 70.33 N ATOM 1393 CA ILE A 146 12.326 11.105 -4.374 1.00 54.42 C ATOM 1394 C ILE A 146 12.362 9.952 -3.377 1.00 43.22 C ATOM 1395 O ILE A 146 13.302 9.157 -3.366 1.00 72.41 O ATOM 1396 CB ILE A 146 11.497 10.682 -5.601 1.00 61.05 C ATOM 1397 CG1 ILE A 146 11.348 11.855 -6.573 1.00 31.14 C ATOM 1398 CG2 ILE A 146 10.132 10.169 -5.168 1.00 10.33 C ATOM 1399 CD1 ILE A 146 10.830 11.449 -7.935 1.00 11.32 C ATOM 0 H ILE A 146 14.224 10.782 -5.202 1.00 70.33 H new ATOM 0 HA ILE A 146 11.855 11.970 -3.908 1.00 54.42 H new ATOM 0 HB ILE A 146 12.021 9.875 -6.113 1.00 61.05 H new ATOM 0 HG12 ILE A 146 10.671 12.591 -6.140 1.00 31.14 H new ATOM 0 HG13 ILE A 146 12.315 12.343 -6.692 1.00 31.14 H new ATOM 0 HG21 ILE A 146 9.559 9.874 -6.047 1.00 10.33 H new ATOM 0 HG22 ILE A 146 10.258 9.308 -4.512 1.00 10.33 H new ATOM 0 HG23 ILE A 146 9.600 10.957 -4.635 1.00 10.33 H new ATOM 0 HD11 ILE A 146 10.750 12.330 -8.571 1.00 11.32 H new ATOM 0 HD12 ILE A 146 11.518 10.736 -8.388 1.00 11.32 H new ATOM 0 HD13 ILE A 146 9.848 10.988 -7.828 1.00 11.32 H new ATOM 1411 N PHE A 147 11.333 9.867 -2.542 1.00 35.34 N ATOM 1412 CA PHE A 147 11.246 8.810 -1.541 1.00 30.24 C ATOM 1413 C PHE A 147 10.095 7.858 -1.852 1.00 55.34 C ATOM 1414 O PHE A 147 9.281 8.120 -2.739 1.00 75.11 O ATOM 1415 CB PHE A 147 11.061 9.413 -0.146 1.00 61.44 C ATOM 1416 CG PHE A 147 12.206 10.283 0.287 1.00 71.00 C ATOM 1417 CD1 PHE A 147 13.514 9.919 0.011 1.00 73.24 C ATOM 1418 CD2 PHE A 147 11.974 11.465 0.971 1.00 10.33 C ATOM 1419 CE1 PHE A 147 14.570 10.718 0.408 1.00 75.34 C ATOM 1420 CE2 PHE A 147 13.026 12.268 1.370 1.00 14.44 C ATOM 1421 CZ PHE A 147 14.325 11.894 1.089 1.00 31.54 C ATOM 0 H PHE A 147 10.547 10.517 -2.538 1.00 35.34 H new ATOM 0 HA PHE A 147 12.178 8.245 -1.565 1.00 30.24 H new ATOM 0 HB2 PHE A 147 10.143 10.000 -0.132 1.00 61.44 H new ATOM 0 HB3 PHE A 147 10.935 8.606 0.576 1.00 61.44 H new ATOM 0 HD1 PHE A 147 13.711 9.000 -0.521 1.00 73.24 H new ATOM 0 HD2 PHE A 147 10.960 11.762 1.195 1.00 10.33 H new ATOM 0 HE1 PHE A 147 15.585 10.423 0.186 1.00 75.34 H new ATOM 0 HE2 PHE A 147 12.832 13.188 1.902 1.00 14.44 H new ATOM 0 HZ PHE A 147 15.148 12.520 1.401 1.00 31.54 H new ATOM 1431 N LEU A 148 10.033 6.753 -1.118 1.00 0.11 N ATOM 1432 CA LEU A 148 8.982 5.761 -1.315 1.00 70.12 C ATOM 1433 C LEU A 148 7.680 6.209 -0.659 1.00 51.23 C ATOM 1434 O LEU A 148 7.562 6.220 0.566 1.00 3.41 O ATOM 1435 CB LEU A 148 9.415 4.410 -0.744 1.00 23.31 C ATOM 1436 CG LEU A 148 10.590 3.729 -1.447 1.00 50.14 C ATOM 1437 CD1 LEU A 148 10.667 2.261 -1.059 1.00 30.14 C ATOM 1438 CD2 LEU A 148 10.466 3.877 -2.957 1.00 0.21 C ATOM 0 H LEU A 148 10.698 6.521 -0.381 1.00 0.11 H new ATOM 0 HA LEU A 148 8.811 5.658 -2.386 1.00 70.12 H new ATOM 0 HB2 LEU A 148 9.676 4.549 0.305 1.00 23.31 H new ATOM 0 HB3 LEU A 148 8.560 3.735 -0.773 1.00 23.31 H new ATOM 0 HG LEU A 148 11.511 4.217 -1.128 1.00 50.14 H new ATOM 0 HD11 LEU A 148 11.509 1.794 -1.569 1.00 30.14 H new ATOM 0 HD12 LEU A 148 10.803 2.176 0.019 1.00 30.14 H new ATOM 0 HD13 LEU A 148 9.744 1.759 -1.348 1.00 30.14 H new ATOM 0 HD21 LEU A 148 11.310 3.387 -3.441 1.00 0.21 H new ATOM 0 HD22 LEU A 148 9.537 3.416 -3.293 1.00 0.21 H new ATOM 0 HD23 LEU A 148 10.461 4.935 -3.220 1.00 0.21 H new ATOM 1450 N ARG A 149 6.704 6.576 -1.483 1.00 51.05 N ATOM 1451 CA ARG A 149 5.410 7.024 -0.984 1.00 12.15 C ATOM 1452 C ARG A 149 4.444 5.851 -0.846 1.00 61.41 C ATOM 1453 O ARG A 149 4.046 5.242 -1.839 1.00 63.44 O ATOM 1454 CB ARG A 149 4.816 8.080 -1.918 1.00 1.25 C ATOM 1455 CG ARG A 149 3.305 8.204 -1.815 1.00 33.23 C ATOM 1456 CD ARG A 149 2.886 8.829 -0.493 1.00 75.42 C ATOM 1457 NE ARG A 149 1.588 8.333 -0.041 1.00 2.52 N ATOM 1458 CZ ARG A 149 0.978 8.768 1.056 1.00 75.10 C ATOM 1459 NH1 ARG A 149 1.544 9.702 1.808 1.00 35.52 N ATOM 1460 NH2 ARG A 149 -0.202 8.268 1.402 1.00 51.50 N ATOM 0 H ARG A 149 6.785 6.572 -2.500 1.00 51.05 H new ATOM 0 HA ARG A 149 5.563 7.465 0.001 1.00 12.15 H new ATOM 0 HB2 ARG A 149 5.267 9.046 -1.694 1.00 1.25 H new ATOM 0 HB3 ARG A 149 5.083 7.835 -2.946 1.00 1.25 H new ATOM 0 HG2 ARG A 149 2.932 8.811 -2.640 1.00 33.23 H new ATOM 0 HG3 ARG A 149 2.850 7.218 -1.913 1.00 33.23 H new ATOM 0 HD2 ARG A 149 3.640 8.615 0.265 1.00 75.42 H new ATOM 0 HD3 ARG A 149 2.842 9.913 -0.602 1.00 75.42 H new ATOM 0 HE ARG A 149 1.125 7.614 -0.598 1.00 2.52 H new ATOM 0 HH11 ARG A 149 2.450 10.089 1.545 1.00 35.52 H new ATOM 0 HH12 ARG A 149 1.073 10.034 2.650 1.00 35.52 H new ATOM 0 HH21 ARG A 149 -0.640 7.550 0.826 1.00 51.50 H new ATOM 0 HH22 ARG A 149 -0.670 8.602 2.244 1.00 51.50 H new ATOM 1474 N ASP A 150 4.072 5.539 0.390 1.00 0.25 N ATOM 1475 CA ASP A 150 3.153 4.439 0.658 1.00 13.22 C ATOM 1476 C ASP A 150 1.937 4.511 -0.261 1.00 0.25 C ATOM 1477 O ASP A 150 1.173 5.476 -0.220 1.00 72.12 O ATOM 1478 CB ASP A 150 2.705 4.465 2.120 1.00 12.14 C ATOM 1479 CG ASP A 150 3.756 5.060 3.037 1.00 34.43 C ATOM 1480 OD1 ASP A 150 4.897 4.553 3.039 1.00 22.23 O ATOM 1481 OD2 ASP A 150 3.437 6.032 3.752 1.00 14.33 O ATOM 0 H ASP A 150 4.393 6.033 1.223 1.00 0.25 H new ATOM 0 HA ASP A 150 3.678 3.504 0.464 1.00 13.22 H new ATOM 0 HB2 ASP A 150 1.784 5.042 2.205 1.00 12.14 H new ATOM 0 HB3 ASP A 150 2.476 3.450 2.445 1.00 12.14 H new ATOM 1486 N ILE A 151 1.765 3.486 -1.088 1.00 24.43 N ATOM 1487 CA ILE A 151 0.643 3.433 -2.016 1.00 51.21 C ATOM 1488 C ILE A 151 -0.677 3.258 -1.273 1.00 72.01 C ATOM 1489 O ILE A 151 -0.714 2.698 -0.178 1.00 72.01 O ATOM 1490 CB ILE A 151 0.804 2.286 -3.030 1.00 64.44 C ATOM 1491 CG1 ILE A 151 -0.098 2.517 -4.244 1.00 14.52 C ATOM 1492 CG2 ILE A 151 0.487 0.950 -2.374 1.00 54.24 C ATOM 1493 CD1 ILE A 151 -0.071 1.382 -5.243 1.00 12.11 C ATOM 0 H ILE A 151 2.389 2.680 -1.134 1.00 24.43 H new ATOM 0 HA ILE A 151 0.633 4.382 -2.552 1.00 51.21 H new ATOM 0 HB ILE A 151 1.839 2.265 -3.370 1.00 64.44 H new ATOM 0 HG12 ILE A 151 -1.122 2.665 -3.902 1.00 14.52 H new ATOM 0 HG13 ILE A 151 0.207 3.437 -4.743 1.00 14.52 H new ATOM 0 HG21 ILE A 151 0.605 0.149 -3.104 1.00 54.24 H new ATOM 0 HG22 ILE A 151 1.168 0.784 -1.539 1.00 54.24 H new ATOM 0 HG23 ILE A 151 -0.540 0.959 -2.008 1.00 54.24 H new ATOM 0 HD11 ILE A 151 -0.734 1.615 -6.077 1.00 12.11 H new ATOM 0 HD12 ILE A 151 0.945 1.248 -5.614 1.00 12.11 H new ATOM 0 HD13 ILE A 151 -0.405 0.464 -4.760 1.00 12.11 H new ATOM 1505 N GLU A 152 -1.759 3.739 -1.878 1.00 2.52 N ATOM 1506 CA GLU A 152 -3.081 3.635 -1.273 1.00 75.31 C ATOM 1507 C GLU A 152 -3.932 2.598 -2.002 1.00 13.34 C ATOM 1508 O GLU A 152 -4.437 2.853 -3.095 1.00 13.35 O ATOM 1509 CB GLU A 152 -3.785 4.993 -1.293 1.00 41.42 C ATOM 1510 CG GLU A 152 -4.086 5.543 0.091 1.00 51.42 C ATOM 1511 CD GLU A 152 -5.560 5.834 0.295 1.00 34.20 C ATOM 1512 OE1 GLU A 152 -6.238 6.190 -0.692 1.00 21.54 O ATOM 1513 OE2 GLU A 152 -6.036 5.705 1.443 1.00 73.35 O ATOM 0 H GLU A 152 -1.746 4.204 -2.786 1.00 2.52 H new ATOM 0 HA GLU A 152 -2.955 3.315 -0.239 1.00 75.31 H new ATOM 0 HB2 GLU A 152 -3.162 5.708 -1.831 1.00 41.42 H new ATOM 0 HB3 GLU A 152 -4.718 4.901 -1.849 1.00 41.42 H new ATOM 0 HG2 GLU A 152 -3.753 4.827 0.843 1.00 51.42 H new ATOM 0 HG3 GLU A 152 -3.514 6.458 0.247 1.00 51.42 H new ATOM 1520 N GLN A 153 -4.085 1.429 -1.388 1.00 1.43 N ATOM 1521 CA GLN A 153 -4.873 0.354 -1.978 1.00 50.23 C ATOM 1522 C GLN A 153 -6.261 0.849 -2.371 1.00 51.11 C ATOM 1523 O GLN A 153 -6.668 1.950 -1.998 1.00 64.34 O ATOM 1524 CB GLN A 153 -4.994 -0.815 -0.999 1.00 63.15 C ATOM 1525 CG GLN A 153 -5.257 -2.151 -1.676 1.00 41.54 C ATOM 1526 CD GLN A 153 -4.299 -2.425 -2.819 1.00 40.50 C ATOM 1527 OE1 GLN A 153 -4.833 -2.894 -3.940 1.00 65.13 O flip ATOM 1528 NE2 GLN A 153 -3.092 -2.217 -2.695 1.00 54.55 N flip ATOM 0 H GLN A 153 -3.674 1.203 -0.482 1.00 1.43 H new ATOM 0 HA GLN A 153 -4.360 0.014 -2.878 1.00 50.23 H new ATOM 0 HB2 GLN A 153 -4.075 -0.887 -0.417 1.00 63.15 H new ATOM 0 HB3 GLN A 153 -5.801 -0.608 -0.297 1.00 63.15 H new ATOM 0 HG2 GLN A 153 -5.175 -2.950 -0.939 1.00 41.54 H new ATOM 0 HG3 GLN A 153 -6.280 -2.168 -2.052 1.00 41.54 H new ATOM 0 HE21 GLN A 153 -2.725 -1.856 -1.815 1.00 54.55 H new ATOM 0 HE22 GLN A 153 -2.459 -2.406 -3.473 1.00 54.55 H new