USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 795 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 38 THR OG1 : rot 71:sc= -2.16! USER MOD Set 1.2: A 40 SER OG : rot -110:sc= 0.416 USER MOD Set 1.3: A 47 GLN : amide:sc= -0.765! C(o=-1.6!,f=-5.4!) USER MOD Set 1.4: A 58 MET CE :methyl 159:sc= -0.183 (180deg=-0.876) USER MOD Set 1.5: A 98 THR OG1 : rot 146:sc= 0.671 USER MOD Set 1.6: A 100 THR OG1 : rot 150:sc= 0.0752 USER MOD Set 1.7: A 127 SER OG : rot -151:sc= 0.317 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0.668 USER MOD Set 2.2: A 113 SER OG : rot 74:sc= 0.747 USER MOD Set 3.1: A 41 ASN : amide:sc= 1.05 K(o=2.2,f=-0.64) USER MOD Set 3.2: A 42 SER OG : rot 73:sc= 1.18 USER MOD Set 4.1: A 29 TYR OH : rot -28:sc= 0.965 USER MOD Set 4.2: A 76 GLN :FLIP amide:sc= 0.652 F(o=0.2,f=1.6) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0218) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.22 F(o=-2.3!,f=-0.22) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= -0.0108 (180deg=-0.135) USER MOD Single : A 57 HIS : no HE2:sc= 0.237 K(o=0.24,f=-1.3) USER MOD Single : A 61 SER OG : rot 170:sc= 0.78 USER MOD Single : A 62 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.3) USER MOD Single : A 63 SER OG : rot 83:sc= 1.71 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -24:sc= 0.127 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0361) USER MOD Single : A 70 GLN : amide:sc= -0.586 K(o=-0.59,f=-5.4!) USER MOD Single : A 75 SER OG : rot 110:sc= 0.91 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc=-0.00146 (180deg=-0.0904) USER MOD Single : A 82 GLN :FLIP amide:sc=-0.00916 F(o=-0.88,f=-0.0092) USER MOD Single : A 85 ASN : amide:sc= -0.0605 X(o=-0.061,f=-0.3) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 70:sc= -0.777 USER MOD Single : A 102 GLN : amide:sc= -0.0681 K(o=-0.068,f=-0.61) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -89:sc= 1.26 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.0745 K(o=-0.074,f=-2!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-8.5!) USER MOD Single : A 120 SER OG : rot 144:sc= 0.011 USER MOD Single : A 122 ASN : amide:sc= -0.429 K(o=-0.43,f=-3.4!) USER MOD Single : A 124 MET CE :methyl 166:sc= -0.0504 (180deg=-0.365) USER MOD Single : A 126 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.84) USER MOD Single : A 131 THR OG1 : rot -170:sc= -0.228 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.887 -1.715 11.245 1.00 0.00 N ATOM 24 CA LEU A 26 -6.529 -1.348 10.874 1.00 0.00 C ATOM 25 C LEU A 26 -6.538 -0.457 9.641 1.00 0.00 C ATOM 26 O LEU A 26 -6.074 -0.850 8.578 1.00 0.00 O ATOM 27 CB LEU A 26 -5.679 -2.598 10.604 1.00 0.00 C ATOM 28 CG LEU A 26 -5.414 -3.495 11.814 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.653 -4.737 11.384 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.635 -2.743 12.886 1.00 0.00 C ATOM 0 HA LEU A 26 -6.089 -0.800 11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.174 -3.192 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.720 -2.281 10.193 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.373 -3.795 12.238 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.469 -5.370 12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.242 -5.289 10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.702 -4.445 10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.458 -3.401 13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.680 -2.414 12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.209 -1.875 13.212 1.00 0.00 H new ATOM 42 N SER A 27 -7.075 0.737 9.783 1.00 0.00 N ATOM 43 CA SER A 27 -7.147 1.664 8.667 1.00 0.00 C ATOM 44 C SER A 27 -5.925 2.571 8.680 1.00 0.00 C ATOM 45 O SER A 27 -5.382 2.866 9.743 1.00 0.00 O ATOM 46 CB SER A 27 -8.431 2.486 8.764 1.00 0.00 C ATOM 47 OG SER A 27 -9.570 1.641 8.879 1.00 0.00 O ATOM 0 H SER A 27 -7.467 1.090 10.656 1.00 0.00 H new ATOM 0 HA SER A 27 -7.160 1.110 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.378 3.150 9.627 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.530 3.118 7.881 1.00 0.00 H new ATOM 0 HG SER A 27 -10.380 2.190 8.941 1.00 0.00 H new ATOM 53 N TRP A 28 -5.486 3.021 7.507 1.00 0.00 N ATOM 54 CA TRP A 28 -4.305 3.882 7.433 1.00 0.00 C ATOM 55 C TRP A 28 -4.638 5.316 7.845 1.00 0.00 C ATOM 56 O TRP A 28 -3.919 6.259 7.513 1.00 0.00 O ATOM 57 CB TRP A 28 -3.647 3.838 6.039 1.00 0.00 C ATOM 58 CG TRP A 28 -4.541 4.195 4.881 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.714 4.891 4.915 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.304 3.885 3.499 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.227 5.017 3.648 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.380 4.410 2.762 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.289 3.207 2.814 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.471 4.283 1.380 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.378 3.083 1.439 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.463 3.619 0.735 1.00 0.00 C ATOM 0 H TRP A 28 -5.920 2.810 6.609 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.577 3.491 8.144 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.795 4.518 6.039 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.255 2.834 5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.173 5.286 5.810 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.099 5.487 3.406 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.450 2.788 3.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.308 4.694 0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.598 2.565 0.900 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.505 3.506 -0.338 1.00 0.00 H new ATOM 77 N TYR A 29 -5.742 5.463 8.570 1.00 0.00 N ATOM 78 CA TYR A 29 -6.124 6.734 9.155 1.00 0.00 C ATOM 79 C TYR A 29 -5.880 6.695 10.660 1.00 0.00 C ATOM 80 O TYR A 29 -5.883 7.727 11.331 1.00 0.00 O ATOM 81 CB TYR A 29 -7.598 7.039 8.869 1.00 0.00 C ATOM 82 CG TYR A 29 -7.959 6.958 7.403 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.537 7.932 6.507 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.716 5.902 6.914 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.857 7.852 5.165 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.042 5.818 5.575 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.610 6.794 4.705 1.00 0.00 C ATOM 88 OH TYR A 29 -8.920 6.703 3.366 1.00 0.00 O ATOM 0 H TYR A 29 -6.393 4.703 8.766 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.519 7.523 8.709 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.220 6.339 9.427 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.832 8.038 9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.950 8.765 6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.056 5.133 7.592 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.518 8.615 4.480 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.633 4.990 5.212 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.953 7.601 2.976 1.00 0.00 H new ATOM 98 N ASP A 30 -5.659 5.490 11.182 1.00 0.00 N ATOM 99 CA ASP A 30 -5.394 5.300 12.604 1.00 0.00 C ATOM 100 C ASP A 30 -3.994 5.787 12.956 1.00 0.00 C ATOM 101 O ASP A 30 -3.028 5.499 12.251 1.00 0.00 O ATOM 102 CB ASP A 30 -5.542 3.827 12.993 1.00 0.00 C ATOM 103 CG ASP A 30 -6.984 3.357 12.996 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.514 3.014 11.918 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.593 3.321 14.087 1.00 0.00 O ATOM 0 H ASP A 30 -5.659 4.628 10.637 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.125 5.885 13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.967 3.214 12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.114 3.674 13.983 1.00 0.00 H new ATOM 110 N PRO A 31 -3.871 6.533 14.063 1.00 0.00 N ATOM 111 CA PRO A 31 -2.604 7.146 14.480 1.00 0.00 C ATOM 112 C PRO A 31 -1.582 6.123 14.967 1.00 0.00 C ATOM 113 O PRO A 31 -0.396 6.431 15.095 1.00 0.00 O ATOM 114 CB PRO A 31 -3.019 8.074 15.622 1.00 0.00 C ATOM 115 CG PRO A 31 -4.263 7.471 16.169 1.00 0.00 C ATOM 116 CD PRO A 31 -4.966 6.838 14.999 1.00 0.00 C ATOM 0 HA PRO A 31 -2.112 7.656 13.652 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.242 8.136 16.384 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.196 9.088 15.263 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.033 6.729 16.934 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.891 8.229 16.638 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.504 5.937 15.294 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.696 7.515 14.555 1.00 0.00 H new ATOM 124 N ASP A 32 -2.046 4.912 15.243 1.00 0.00 N ATOM 125 CA ASP A 32 -1.161 3.848 15.701 1.00 0.00 C ATOM 126 C ASP A 32 -0.841 2.876 14.571 1.00 0.00 C ATOM 127 O ASP A 32 -0.160 1.869 14.781 1.00 0.00 O ATOM 128 CB ASP A 32 -1.780 3.095 16.884 1.00 0.00 C ATOM 129 CG ASP A 32 -3.050 2.346 16.523 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.958 1.180 16.087 1.00 0.00 O ATOM 131 OD2 ASP A 32 -4.149 2.912 16.704 1.00 0.00 O ATOM 0 H ASP A 32 -3.026 4.642 15.159 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.231 4.311 16.030 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.050 2.388 17.278 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.000 3.804 17.682 1.00 0.00 H new ATOM 136 N PHE A 33 -1.316 3.184 13.371 1.00 0.00 N ATOM 137 CA PHE A 33 -1.082 2.327 12.219 1.00 0.00 C ATOM 138 C PHE A 33 0.348 2.507 11.720 1.00 0.00 C ATOM 139 O PHE A 33 0.890 3.613 11.752 1.00 0.00 O ATOM 140 CB PHE A 33 -2.084 2.641 11.103 1.00 0.00 C ATOM 141 CG PHE A 33 -2.095 1.630 9.991 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.721 0.406 10.162 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.488 1.905 8.776 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.740 -0.526 9.143 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.506 0.978 7.753 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.132 -0.239 7.938 1.00 0.00 C ATOM 0 H PHE A 33 -1.865 4.020 13.172 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.222 1.289 12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.084 2.704 11.533 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.854 3.622 10.687 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.200 0.178 11.103 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.996 2.855 8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.230 -1.477 9.289 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.031 1.204 6.810 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.146 -0.966 7.140 1.00 0.00 H new ATOM 156 N GLN A 34 0.953 1.420 11.267 1.00 0.00 N ATOM 157 CA GLN A 34 2.343 1.436 10.840 1.00 0.00 C ATOM 158 C GLN A 34 2.469 1.011 9.385 1.00 0.00 C ATOM 159 O GLN A 34 1.872 0.013 8.966 1.00 0.00 O ATOM 160 CB GLN A 34 3.169 0.506 11.727 1.00 0.00 C ATOM 161 CG GLN A 34 3.305 0.989 13.156 1.00 0.00 C ATOM 162 CD GLN A 34 3.897 -0.061 14.069 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.172 -0.844 14.682 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.217 -0.105 14.147 1.00 0.00 N ATOM 0 H GLN A 34 0.499 0.510 11.185 1.00 0.00 H new ATOM 0 HA GLN A 34 2.720 2.455 10.933 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.709 -0.482 11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.163 0.394 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.933 1.880 13.177 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.325 1.282 13.532 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.781 0.563 13.622 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.670 -0.807 14.732 1.00 0.00 H new ATOM 173 N ALA A 35 3.241 1.771 8.617 1.00 0.00 N ATOM 174 CA ALA A 35 3.457 1.472 7.211 1.00 0.00 C ATOM 175 C ALA A 35 4.807 2.006 6.745 1.00 0.00 C ATOM 176 O ALA A 35 5.327 2.969 7.304 1.00 0.00 O ATOM 177 CB ALA A 35 2.337 2.059 6.365 1.00 0.00 C ATOM 0 H ALA A 35 3.729 2.603 8.949 1.00 0.00 H new ATOM 0 HA ALA A 35 3.456 0.389 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.514 1.826 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.384 1.631 6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.310 3.141 6.497 1.00 0.00 H new ATOM 183 N ARG A 36 5.369 1.371 5.727 1.00 0.00 N ATOM 184 CA ARG A 36 6.646 1.792 5.175 1.00 0.00 C ATOM 185 C ARG A 36 6.625 1.684 3.658 1.00 0.00 C ATOM 186 O ARG A 36 5.813 0.952 3.088 1.00 0.00 O ATOM 187 CB ARG A 36 7.795 0.930 5.718 1.00 0.00 C ATOM 188 CG ARG A 36 7.756 -0.509 5.220 1.00 0.00 C ATOM 189 CD ARG A 36 9.076 -1.231 5.441 1.00 0.00 C ATOM 190 NE ARG A 36 9.415 -1.361 6.855 1.00 0.00 N ATOM 191 CZ ARG A 36 10.219 -2.301 7.332 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.802 -3.158 6.505 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.464 -2.375 8.630 1.00 0.00 N ATOM 0 H ARG A 36 4.958 0.559 5.266 1.00 0.00 H new ATOM 0 HA ARG A 36 6.808 2.828 5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.745 1.381 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.758 0.931 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.959 -1.047 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.513 -0.517 4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.023 -2.222 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.872 -0.690 4.929 1.00 0.00 H new ATOM 0 HE ARG A 36 9.012 -0.693 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.632 -3.094 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.421 -3.881 6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.033 -1.707 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.083 -3.100 8.992 1.00 0.00 H new ATOM 206 N LEU A 37 7.512 2.417 3.011 1.00 0.00 N ATOM 207 CA LEU A 37 7.700 2.296 1.578 1.00 0.00 C ATOM 208 C LEU A 37 9.070 1.699 1.295 1.00 0.00 C ATOM 209 O LEU A 37 10.085 2.172 1.810 1.00 0.00 O ATOM 210 CB LEU A 37 7.545 3.657 0.897 1.00 0.00 C ATOM 211 CG LEU A 37 6.155 4.279 1.035 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.120 5.661 0.418 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.109 3.398 0.379 1.00 0.00 C ATOM 0 H LEU A 37 8.116 3.106 3.459 1.00 0.00 H new ATOM 0 HA LEU A 37 6.936 1.634 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.280 4.344 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.777 3.548 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 37 5.931 4.364 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.121 6.083 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.843 6.303 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.370 5.593 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.126 3.857 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.341 3.284 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.106 2.418 0.857 1.00 0.00 H new ATOM 225 N THR A 38 9.083 0.638 0.505 1.00 0.00 N ATOM 226 CA THR A 38 10.312 -0.082 0.195 1.00 0.00 C ATOM 227 C THR A 38 11.236 0.740 -0.701 1.00 0.00 C ATOM 228 O THR A 38 10.822 1.755 -1.260 1.00 0.00 O ATOM 229 CB THR A 38 10.002 -1.426 -0.486 1.00 0.00 C ATOM 230 OG1 THR A 38 9.149 -1.211 -1.613 1.00 0.00 O ATOM 231 CG2 THR A 38 9.329 -2.385 0.480 1.00 0.00 C ATOM 0 H THR A 38 8.249 0.252 0.062 1.00 0.00 H new ATOM 0 HA THR A 38 10.821 -0.266 1.141 1.00 0.00 H new ATOM 0 HB THR A 38 10.944 -1.867 -0.812 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.656 -0.772 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.121 -3.327 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.988 -2.568 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.394 -1.949 0.833 1.00 0.00 H new ATOM 239 N ARG A 39 12.480 0.270 -0.837 1.00 0.00 N ATOM 240 CA ARG A 39 13.520 0.963 -1.606 1.00 0.00 C ATOM 241 C ARG A 39 12.989 1.393 -2.970 1.00 0.00 C ATOM 242 O ARG A 39 12.833 2.585 -3.225 1.00 0.00 O ATOM 243 CB ARG A 39 14.754 0.063 -1.800 1.00 0.00 C ATOM 244 CG ARG A 39 15.157 -0.739 -0.567 1.00 0.00 C ATOM 245 CD ARG A 39 14.349 -2.025 -0.453 1.00 0.00 C ATOM 246 NE ARG A 39 14.541 -2.701 0.826 1.00 0.00 N ATOM 247 CZ ARG A 39 13.632 -3.506 1.366 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.477 -3.694 0.747 1.00 0.00 N ATOM 249 NH2 ARG A 39 13.867 -4.101 2.525 1.00 0.00 N ATOM 0 H ARG A 39 12.795 -0.604 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 39 13.811 1.848 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.557 -0.629 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.596 0.685 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.219 -0.978 -0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.009 -0.134 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.291 -1.797 -0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.632 -2.699 -1.261 1.00 0.00 H new ATOM 0 HE ARG A 39 15.415 -2.548 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.290 -3.223 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.774 -4.310 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.750 -3.943 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.165 -4.718 2.933 1.00 0.00 H new ATOM 262 N SER A 40 12.718 0.408 -3.829 1.00 0.00 N ATOM 263 CA SER A 40 12.135 0.641 -5.153 1.00 0.00 C ATOM 264 C SER A 40 12.866 1.755 -5.916 1.00 0.00 C ATOM 265 O SER A 40 13.932 1.532 -6.495 1.00 0.00 O ATOM 266 CB SER A 40 10.650 0.982 -5.018 1.00 0.00 C ATOM 267 OG SER A 40 9.978 0.035 -4.200 1.00 0.00 O ATOM 0 H SER A 40 12.897 -0.576 -3.626 1.00 0.00 H new ATOM 0 HA SER A 40 12.248 -0.278 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.540 1.979 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.188 1.006 -6.005 1.00 0.00 H new ATOM 0 HG SER A 40 9.377 -0.506 -4.753 1.00 0.00 H new ATOM 273 N ASN A 41 12.297 2.953 -5.889 1.00 0.00 N ATOM 274 CA ASN A 41 12.875 4.103 -6.566 1.00 0.00 C ATOM 275 C ASN A 41 13.471 5.061 -5.545 1.00 0.00 C ATOM 276 O ASN A 41 14.645 5.425 -5.622 1.00 0.00 O ATOM 277 CB ASN A 41 11.804 4.822 -7.393 1.00 0.00 C ATOM 278 CG ASN A 41 12.314 6.104 -8.024 1.00 0.00 C ATOM 279 OD1 ASN A 41 12.249 7.175 -7.418 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.808 6.009 -9.247 1.00 0.00 N ATOM 0 H ASN A 41 11.425 3.153 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 41 13.664 3.758 -7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.446 4.154 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.951 5.051 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.153 6.842 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.844 5.103 -9.714 1.00 0.00 H new ATOM 287 N SER A 42 12.649 5.445 -4.580 1.00 0.00 N ATOM 288 CA SER A 42 13.056 6.360 -3.530 1.00 0.00 C ATOM 289 C SER A 42 12.473 5.898 -2.200 1.00 0.00 C ATOM 290 O SER A 42 11.498 5.149 -2.170 1.00 0.00 O ATOM 291 CB SER A 42 12.590 7.776 -3.870 1.00 0.00 C ATOM 292 OG SER A 42 13.191 8.234 -5.073 1.00 0.00 O ATOM 0 H SER A 42 11.682 5.130 -4.505 1.00 0.00 H new ATOM 0 HA SER A 42 14.143 6.369 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.505 7.791 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.842 8.452 -3.053 1.00 0.00 H new ATOM 0 HG SER A 42 12.785 7.774 -5.837 1.00 0.00 H new ATOM 298 N LYS A 43 13.070 6.360 -1.108 1.00 0.00 N ATOM 299 CA LYS A 43 12.742 5.861 0.229 1.00 0.00 C ATOM 300 C LYS A 43 11.351 6.290 0.684 1.00 0.00 C ATOM 301 O LYS A 43 10.914 5.936 1.778 1.00 0.00 O ATOM 302 CB LYS A 43 13.786 6.329 1.241 1.00 0.00 C ATOM 303 CG LYS A 43 15.173 5.754 0.998 1.00 0.00 C ATOM 304 CD LYS A 43 15.167 4.233 1.069 1.00 0.00 C ATOM 305 CE LYS A 43 16.549 3.655 0.807 1.00 0.00 C ATOM 306 NZ LYS A 43 16.560 2.169 0.888 1.00 0.00 N ATOM 0 H LYS A 43 13.789 7.084 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 43 12.747 4.772 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.843 7.417 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.458 6.052 2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.534 6.072 0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.867 6.151 1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.820 3.915 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.462 3.837 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.890 3.966 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.255 4.062 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.538 1.824 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.164 1.868 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.986 1.775 0.115 1.00 0.00 H new ATOM 319 N CYS A 44 10.671 7.067 -0.141 1.00 0.00 N ATOM 320 CA CYS A 44 9.297 7.448 0.130 1.00 0.00 C ATOM 321 C CYS A 44 8.490 7.367 -1.160 1.00 0.00 C ATOM 322 O CYS A 44 7.460 8.027 -1.326 1.00 0.00 O ATOM 323 CB CYS A 44 9.258 8.855 0.717 1.00 0.00 C ATOM 324 SG CYS A 44 7.726 9.282 1.598 1.00 0.00 S ATOM 0 H CYS A 44 11.051 7.448 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 44 8.857 6.766 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.097 8.969 1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.407 9.573 -0.090 1.00 0.00 H new ATOM 329 N GLN A 45 8.980 6.544 -2.082 1.00 0.00 N ATOM 330 CA GLN A 45 8.318 6.321 -3.359 1.00 0.00 C ATOM 331 C GLN A 45 8.530 4.876 -3.802 1.00 0.00 C ATOM 332 O GLN A 45 9.499 4.570 -4.503 1.00 0.00 O ATOM 333 CB GLN A 45 8.867 7.260 -4.443 1.00 0.00 C ATOM 334 CG GLN A 45 8.798 8.745 -4.112 1.00 0.00 C ATOM 335 CD GLN A 45 9.253 9.620 -5.266 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.077 9.129 -6.486 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 9.766 10.722 -5.067 1.00 0.00 N flip ATOM 0 H GLN A 45 9.844 6.015 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 45 7.255 6.524 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.906 6.996 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.315 7.084 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.775 9.007 -3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.419 8.949 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.884 11.065 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.073 11.292 -5.856 1.00 0.00 H new ATOM 346 N GLY A 46 7.634 3.989 -3.400 1.00 0.00 N ATOM 347 CA GLY A 46 7.815 2.590 -3.719 1.00 0.00 C ATOM 348 C GLY A 46 6.693 1.711 -3.219 1.00 0.00 C ATOM 349 O GLY A 46 5.614 2.205 -2.885 1.00 0.00 O ATOM 0 H GLY A 46 6.794 4.209 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.899 2.479 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.756 2.246 -3.289 1.00 0.00 H new ATOM 353 N GLN A 47 6.953 0.405 -3.180 1.00 0.00 N ATOM 354 CA GLN A 47 5.970 -0.573 -2.725 1.00 0.00 C ATOM 355 C GLN A 47 5.574 -0.315 -1.279 1.00 0.00 C ATOM 356 O GLN A 47 6.430 -0.051 -0.427 1.00 0.00 O ATOM 357 CB GLN A 47 6.526 -1.990 -2.850 1.00 0.00 C ATOM 358 CG GLN A 47 6.810 -2.419 -4.276 1.00 0.00 C ATOM 359 CD GLN A 47 7.526 -3.753 -4.340 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.320 -4.534 -5.263 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.390 -4.015 -3.370 1.00 0.00 N ATOM 0 H GLN A 47 7.845 -0.001 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 47 5.088 -0.473 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.447 -2.060 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.816 -2.688 -2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.872 -2.485 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.417 -1.659 -4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.534 -3.340 -2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.911 -4.892 -3.374 1.00 0.00 H new ATOM 370 N LEU A 48 4.282 -0.403 -1.014 1.00 0.00 N ATOM 371 CA LEU A 48 3.749 -0.161 0.315 1.00 0.00 C ATOM 372 C LEU A 48 3.710 -1.446 1.128 1.00 0.00 C ATOM 373 O LEU A 48 3.062 -2.420 0.740 1.00 0.00 O ATOM 374 CB LEU A 48 2.339 0.431 0.217 1.00 0.00 C ATOM 375 CG LEU A 48 1.663 0.768 1.553 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.384 1.908 2.254 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.205 1.123 1.327 1.00 0.00 C ATOM 0 H LEU A 48 3.576 -0.643 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 48 4.405 0.548 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.387 1.339 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.706 -0.274 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 48 1.716 -0.111 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.886 2.128 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.417 1.621 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.367 2.794 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.264 1.360 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.139 1.987 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.309 0.277 0.871 1.00 0.00 H new ATOM 389 N GLU A 49 4.423 -1.447 2.242 1.00 0.00 N ATOM 390 CA GLU A 49 4.330 -2.531 3.205 1.00 0.00 C ATOM 391 C GLU A 49 3.709 -2.016 4.489 1.00 0.00 C ATOM 392 O GLU A 49 4.131 -0.993 5.029 1.00 0.00 O ATOM 393 CB GLU A 49 5.695 -3.158 3.509 1.00 0.00 C ATOM 394 CG GLU A 49 6.213 -4.074 2.415 1.00 0.00 C ATOM 395 CD GLU A 49 7.422 -4.874 2.857 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.508 -4.281 3.025 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.290 -6.104 3.038 1.00 0.00 O ATOM 0 H GLU A 49 5.075 -0.707 2.502 1.00 0.00 H new ATOM 0 HA GLU A 49 3.704 -3.308 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.420 -2.361 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.624 -3.723 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.420 -4.757 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.474 -3.479 1.540 1.00 0.00 H new ATOM 404 N VAL A 50 2.700 -2.716 4.962 1.00 0.00 N ATOM 405 CA VAL A 50 2.009 -2.322 6.175 1.00 0.00 C ATOM 406 C VAL A 50 2.276 -3.325 7.289 1.00 0.00 C ATOM 407 O VAL A 50 2.540 -4.501 7.028 1.00 0.00 O ATOM 408 CB VAL A 50 0.488 -2.178 5.953 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.197 -1.096 4.921 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.132 -3.501 5.526 1.00 0.00 C ATOM 0 H VAL A 50 2.338 -3.563 4.525 1.00 0.00 H new ATOM 0 HA VAL A 50 2.398 -1.346 6.465 1.00 0.00 H new ATOM 0 HB VAL A 50 0.038 -1.884 6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.880 -1.010 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.594 -0.143 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.668 -1.360 3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.204 -3.369 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.326 -3.833 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.037 -4.249 6.301 1.00 0.00 H new ATOM 420 N TYR A 51 2.225 -2.852 8.523 1.00 0.00 N ATOM 421 CA TYR A 51 2.488 -3.701 9.672 1.00 0.00 C ATOM 422 C TYR A 51 1.193 -4.292 10.200 1.00 0.00 C ATOM 423 O TYR A 51 0.350 -3.582 10.749 1.00 0.00 O ATOM 424 CB TYR A 51 3.199 -2.914 10.778 1.00 0.00 C ATOM 425 CG TYR A 51 3.541 -3.744 12.001 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.735 -4.456 12.081 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.664 -3.820 13.079 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.038 -5.216 13.196 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.962 -4.578 14.193 1.00 0.00 C ATOM 430 CZ TYR A 51 4.148 -5.273 14.246 1.00 0.00 C ATOM 431 OH TYR A 51 4.441 -6.033 15.356 1.00 0.00 O ATOM 0 H TYR A 51 2.004 -1.884 8.755 1.00 0.00 H new ATOM 0 HA TYR A 51 3.141 -4.513 9.353 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.116 -2.486 10.374 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.565 -2.081 11.082 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.435 -4.414 11.260 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.732 -3.275 13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.968 -5.762 13.243 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.268 -4.625 15.019 1.00 0.00 H new ATOM 0 HH TYR A 51 3.709 -5.963 16.003 1.00 0.00 H new ATOM 441 N LEU A 52 1.036 -5.587 10.011 1.00 0.00 N ATOM 442 CA LEU A 52 -0.095 -6.310 10.558 1.00 0.00 C ATOM 443 C LEU A 52 0.373 -7.123 11.756 1.00 0.00 C ATOM 444 O LEU A 52 1.526 -7.003 12.173 1.00 0.00 O ATOM 445 CB LEU A 52 -0.697 -7.245 9.500 1.00 0.00 C ATOM 446 CG LEU A 52 -1.137 -6.581 8.192 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.609 -7.631 7.203 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.238 -5.563 8.440 1.00 0.00 C ATOM 0 H LEU A 52 1.685 -6.165 9.477 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.862 -5.599 10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.037 -8.016 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.559 -7.749 9.937 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.278 -6.058 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.919 -7.146 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.795 -8.326 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.452 -8.177 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.531 -5.107 7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.100 -6.060 8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.874 -4.791 9.118 1.00 0.00 H new ATOM 460 N LYS A 53 -0.504 -7.950 12.309 1.00 0.00 N ATOM 461 CA LYS A 53 -0.118 -8.858 13.382 1.00 0.00 C ATOM 462 C LYS A 53 1.037 -9.748 12.918 1.00 0.00 C ATOM 463 O LYS A 53 1.960 -10.040 13.679 1.00 0.00 O ATOM 464 CB LYS A 53 -1.329 -9.702 13.820 1.00 0.00 C ATOM 465 CG LYS A 53 -1.113 -10.536 15.084 1.00 0.00 C ATOM 466 CD LYS A 53 -0.334 -11.818 14.813 1.00 0.00 C ATOM 467 CE LYS A 53 -1.084 -12.738 13.864 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.354 -13.234 14.458 1.00 0.00 N ATOM 0 H LYS A 53 -1.484 -8.011 12.034 1.00 0.00 H new ATOM 0 HA LYS A 53 0.220 -8.280 14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.177 -9.037 13.983 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.601 -10.371 13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.578 -9.939 15.822 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.080 -10.788 15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.639 -11.570 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.148 -12.337 15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.300 -12.205 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.450 -13.586 13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.749 -13.984 13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.168 -13.614 15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.035 -12.451 14.526 1.00 0.00 H new ATOM 481 N ASP A 54 0.991 -10.146 11.652 1.00 0.00 N ATOM 482 CA ASP A 54 2.015 -11.012 11.070 1.00 0.00 C ATOM 483 C ASP A 54 3.233 -10.216 10.609 1.00 0.00 C ATOM 484 O ASP A 54 4.103 -10.746 9.921 1.00 0.00 O ATOM 485 CB ASP A 54 1.449 -11.794 9.885 1.00 0.00 C ATOM 486 CG ASP A 54 0.360 -12.764 10.285 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.823 -12.366 10.305 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.680 -13.934 10.572 1.00 0.00 O ATOM 0 H ASP A 54 0.250 -9.881 11.003 1.00 0.00 H new ATOM 0 HA ASP A 54 2.329 -11.705 11.851 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.052 -11.093 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.256 -12.342 9.399 1.00 0.00 H new ATOM 493 N GLY A 55 3.287 -8.942 10.971 1.00 0.00 N ATOM 494 CA GLY A 55 4.427 -8.120 10.617 1.00 0.00 C ATOM 495 C GLY A 55 4.211 -7.343 9.335 1.00 0.00 C ATOM 496 O GLY A 55 3.074 -7.062 8.955 1.00 0.00 O ATOM 0 H GLY A 55 2.561 -8.462 11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.633 -7.423 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.307 -8.754 10.509 1.00 0.00 H new ATOM 500 N TRP A 56 5.303 -7.009 8.664 1.00 0.00 N ATOM 501 CA TRP A 56 5.246 -6.187 7.461 1.00 0.00 C ATOM 502 C TRP A 56 4.867 -7.019 6.240 1.00 0.00 C ATOM 503 O TRP A 56 5.466 -8.064 5.975 1.00 0.00 O ATOM 504 CB TRP A 56 6.592 -5.493 7.229 1.00 0.00 C ATOM 505 CG TRP A 56 6.973 -4.555 8.336 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.824 -4.805 9.376 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.504 -3.216 8.518 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.912 -3.702 10.189 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.110 -2.715 9.686 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.631 -2.390 7.808 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.869 -1.426 10.155 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.392 -1.115 8.277 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.006 -0.643 9.439 1.00 0.00 C ATOM 0 H TRP A 56 6.244 -7.295 8.933 1.00 0.00 H new ATOM 0 HA TRP A 56 4.475 -5.431 7.607 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.369 -6.249 7.119 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.551 -4.940 6.291 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.350 -5.735 9.535 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.483 -3.630 11.031 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.151 -2.743 6.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.346 -1.058 11.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.717 -0.469 7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.795 0.360 9.779 1.00 0.00 H new ATOM 524 N HIS A 57 3.866 -6.555 5.502 1.00 0.00 N ATOM 525 CA HIS A 57 3.404 -7.255 4.309 1.00 0.00 C ATOM 526 C HIS A 57 3.184 -6.290 3.151 1.00 0.00 C ATOM 527 O HIS A 57 2.646 -5.196 3.336 1.00 0.00 O ATOM 528 CB HIS A 57 2.102 -8.010 4.591 1.00 0.00 C ATOM 529 CG HIS A 57 2.292 -9.308 5.310 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.355 -10.522 4.661 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.419 -9.581 6.629 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.512 -11.486 5.549 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.553 -10.940 6.751 1.00 0.00 N ATOM 0 H HIS A 57 3.358 -5.695 5.709 1.00 0.00 H new ATOM 0 HA HIS A 57 4.182 -7.967 4.031 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.445 -7.372 5.183 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.594 -8.201 3.646 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.290 -10.655 3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.415 -8.863 7.435 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.593 -12.540 5.330 1.00 0.00 H new ATOM 541 N MET A 58 3.616 -6.709 1.966 1.00 0.00 N ATOM 542 CA MET A 58 3.418 -5.938 0.740 1.00 0.00 C ATOM 543 C MET A 58 1.939 -5.848 0.391 1.00 0.00 C ATOM 544 O MET A 58 1.249 -6.865 0.328 1.00 0.00 O ATOM 545 CB MET A 58 4.155 -6.593 -0.435 1.00 0.00 C ATOM 546 CG MET A 58 5.671 -6.611 -0.311 1.00 0.00 C ATOM 547 SD MET A 58 6.452 -7.511 -1.669 1.00 0.00 S ATOM 548 CE MET A 58 5.779 -6.638 -3.082 1.00 0.00 C ATOM 0 H MET A 58 4.112 -7.589 1.827 1.00 0.00 H new ATOM 0 HA MET A 58 3.815 -4.938 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.802 -7.619 -0.540 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.886 -6.068 -1.352 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.045 -5.587 -0.292 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.952 -7.070 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.418 -6.803 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.776 -7.008 -3.294 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.733 -5.571 -2.863 1.00 0.00 H new ATOM 558 N VAL A 59 1.453 -4.640 0.154 1.00 0.00 N ATOM 559 CA VAL A 59 0.072 -4.455 -0.266 1.00 0.00 C ATOM 560 C VAL A 59 -0.035 -4.638 -1.776 1.00 0.00 C ATOM 561 O VAL A 59 0.783 -4.114 -2.537 1.00 0.00 O ATOM 562 CB VAL A 59 -0.478 -3.067 0.130 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.949 -2.943 -0.241 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.283 -2.816 1.616 1.00 0.00 C ATOM 0 H VAL A 59 1.990 -3.777 0.244 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.530 -5.205 0.247 1.00 0.00 H new ATOM 0 HB VAL A 59 0.080 -2.312 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.315 -1.958 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.065 -3.073 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.522 -3.710 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.677 -1.833 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.811 -3.580 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.780 -2.855 1.855 1.00 0.00 H new ATOM 574 N CYS A 60 -1.028 -5.398 -2.205 1.00 0.00 N ATOM 575 CA CYS A 60 -1.211 -5.682 -3.615 1.00 0.00 C ATOM 576 C CYS A 60 -2.271 -4.745 -4.198 1.00 0.00 C ATOM 577 O CYS A 60 -3.224 -4.363 -3.512 1.00 0.00 O ATOM 578 CB CYS A 60 -1.611 -7.147 -3.794 1.00 0.00 C ATOM 579 SG CYS A 60 -1.124 -7.862 -5.393 1.00 0.00 S ATOM 0 H CYS A 60 -1.721 -5.830 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.277 -5.513 -4.150 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.162 -7.735 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.692 -7.233 -3.684 1.00 0.00 H new ATOM 584 N SER A 61 -2.084 -4.377 -5.467 1.00 0.00 N ATOM 585 CA SER A 61 -2.874 -3.330 -6.118 1.00 0.00 C ATOM 586 C SER A 61 -4.358 -3.673 -6.223 1.00 0.00 C ATOM 587 O SER A 61 -5.195 -2.775 -6.275 1.00 0.00 O ATOM 588 CB SER A 61 -2.314 -3.060 -7.518 1.00 0.00 C ATOM 589 OG SER A 61 -2.393 -4.219 -8.340 1.00 0.00 O ATOM 0 H SER A 61 -1.379 -4.797 -6.073 1.00 0.00 H new ATOM 0 HA SER A 61 -2.796 -2.441 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.868 -2.244 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.276 -2.737 -7.440 1.00 0.00 H new ATOM 0 HG SER A 61 -2.181 -3.978 -9.266 1.00 0.00 H new ATOM 595 N GLN A 62 -4.682 -4.958 -6.252 1.00 0.00 N ATOM 596 CA GLN A 62 -6.062 -5.392 -6.469 1.00 0.00 C ATOM 597 C GLN A 62 -6.836 -5.419 -5.148 1.00 0.00 C ATOM 598 O GLN A 62 -7.616 -6.335 -4.881 1.00 0.00 O ATOM 599 CB GLN A 62 -6.075 -6.777 -7.131 1.00 0.00 C ATOM 600 CG GLN A 62 -7.381 -7.111 -7.836 1.00 0.00 C ATOM 601 CD GLN A 62 -7.691 -6.155 -8.975 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.788 -5.610 -9.612 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.971 -5.951 -9.242 1.00 0.00 N ATOM 0 H GLN A 62 -4.014 -5.719 -6.129 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.553 -4.680 -7.132 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.260 -6.832 -7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.880 -7.534 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.330 -8.128 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.197 -7.086 -7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.688 -6.422 -8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.240 -5.323 -9.999 1.00 0.00 H new ATOM 612 N SER A 63 -6.620 -4.404 -4.325 1.00 0.00 N ATOM 613 CA SER A 63 -7.277 -4.319 -3.036 1.00 0.00 C ATOM 614 C SER A 63 -8.450 -3.338 -3.081 1.00 0.00 C ATOM 615 O SER A 63 -8.376 -2.294 -3.737 1.00 0.00 O ATOM 616 CB SER A 63 -6.276 -3.896 -1.956 1.00 0.00 C ATOM 617 OG SER A 63 -5.282 -4.893 -1.765 1.00 0.00 O ATOM 0 H SER A 63 -5.992 -3.627 -4.531 1.00 0.00 H new ATOM 0 HA SER A 63 -7.668 -5.306 -2.790 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.803 -2.956 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.802 -3.717 -1.018 1.00 0.00 H new ATOM 0 HG SER A 63 -4.580 -4.788 -2.440 1.00 0.00 H new ATOM 623 N TRP A 64 -9.522 -3.700 -2.378 1.00 0.00 N ATOM 624 CA TRP A 64 -10.731 -2.880 -2.255 1.00 0.00 C ATOM 625 C TRP A 64 -11.385 -2.615 -3.611 1.00 0.00 C ATOM 626 O TRP A 64 -12.257 -3.365 -4.052 1.00 0.00 O ATOM 627 CB TRP A 64 -10.427 -1.546 -1.559 1.00 0.00 C ATOM 628 CG TRP A 64 -9.674 -1.687 -0.271 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.106 -2.283 0.878 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.355 -1.204 -0.001 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.133 -2.203 1.845 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.047 -1.546 1.328 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.401 -0.519 -0.759 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.826 -1.225 1.915 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.190 -0.199 -0.174 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.914 -0.553 1.149 1.00 0.00 C ATOM 0 H TRP A 64 -9.578 -4.583 -1.870 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.432 -3.449 -1.645 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.851 -0.917 -2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.366 -1.028 -1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.071 -2.749 1.008 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.207 -2.572 2.793 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.606 -0.245 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.607 -1.497 2.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.446 0.333 -0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.958 -0.290 1.577 1.00 0.00 H new ATOM 647 N GLY A 65 -10.949 -1.553 -4.268 1.00 0.00 N ATOM 648 CA GLY A 65 -11.520 -1.176 -5.543 1.00 0.00 C ATOM 649 C GLY A 65 -10.492 -0.556 -6.465 1.00 0.00 C ATOM 650 O GLY A 65 -10.802 0.361 -7.224 1.00 0.00 O ATOM 0 H GLY A 65 -10.203 -0.940 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.952 -2.055 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.334 -0.470 -5.381 1.00 0.00 H new ATOM 654 N ARG A 66 -9.262 -1.043 -6.387 1.00 0.00 N ATOM 655 CA ARG A 66 -8.196 -0.562 -7.248 1.00 0.00 C ATOM 656 C ARG A 66 -7.860 -1.619 -8.287 1.00 0.00 C ATOM 657 O ARG A 66 -8.016 -2.814 -8.041 1.00 0.00 O ATOM 658 CB ARG A 66 -6.958 -0.190 -6.424 1.00 0.00 C ATOM 659 CG ARG A 66 -7.139 1.079 -5.601 1.00 0.00 C ATOM 660 CD ARG A 66 -7.132 2.320 -6.486 1.00 0.00 C ATOM 661 NE ARG A 66 -7.505 3.531 -5.757 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.923 4.718 -5.945 1.00 0.00 C ATOM 663 NH1 ARG A 66 -5.890 4.830 -6.771 1.00 0.00 N ATOM 664 NH2 ARG A 66 -7.369 5.796 -5.311 1.00 0.00 N ATOM 0 H ARG A 66 -8.979 -1.773 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.534 0.338 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.714 -1.016 -5.756 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.109 -0.061 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.079 1.027 -5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.341 1.152 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.139 2.450 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.822 2.173 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.252 3.466 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.539 4.008 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.447 5.738 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.162 5.721 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.918 6.699 -5.461 1.00 0.00 H new ATOM 677 N SER A 67 -7.417 -1.173 -9.448 1.00 0.00 N ATOM 678 CA SER A 67 -7.172 -2.061 -10.566 1.00 0.00 C ATOM 679 C SER A 67 -5.781 -1.817 -11.150 1.00 0.00 C ATOM 680 O SER A 67 -4.891 -1.316 -10.459 1.00 0.00 O ATOM 681 CB SER A 67 -8.254 -1.835 -11.621 1.00 0.00 C ATOM 682 OG SER A 67 -8.361 -0.454 -11.943 1.00 0.00 O ATOM 0 H SER A 67 -7.218 -0.191 -9.641 1.00 0.00 H new ATOM 0 HA SER A 67 -7.209 -3.096 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.018 -2.406 -12.519 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.211 -2.203 -11.252 1.00 0.00 H new ATOM 0 HG SER A 67 -9.057 -0.329 -12.621 1.00 0.00 H new ATOM 688 N SER A 68 -5.593 -2.161 -12.415 1.00 0.00 N ATOM 689 CA SER A 68 -4.324 -1.931 -13.077 1.00 0.00 C ATOM 690 C SER A 68 -4.266 -0.504 -13.621 1.00 0.00 C ATOM 691 O SER A 68 -3.199 -0.018 -14.001 1.00 0.00 O ATOM 692 CB SER A 68 -4.121 -2.945 -14.210 1.00 0.00 C ATOM 693 OG SER A 68 -2.831 -2.823 -14.790 1.00 0.00 O ATOM 0 H SER A 68 -6.304 -2.600 -13.001 1.00 0.00 H new ATOM 0 HA SER A 68 -3.521 -2.061 -12.351 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.254 -3.956 -13.824 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.882 -2.794 -14.976 1.00 0.00 H new ATOM 0 HG SER A 68 -2.491 -1.916 -14.644 1.00 0.00 H new ATOM 699 N LYS A 69 -5.414 0.164 -13.648 1.00 0.00 N ATOM 700 CA LYS A 69 -5.493 1.530 -14.152 1.00 0.00 C ATOM 701 C LYS A 69 -5.559 2.521 -12.997 1.00 0.00 C ATOM 702 O LYS A 69 -6.410 2.407 -12.113 1.00 0.00 O ATOM 703 CB LYS A 69 -6.710 1.696 -15.070 1.00 0.00 C ATOM 704 CG LYS A 69 -6.643 0.838 -16.327 1.00 0.00 C ATOM 705 CD LYS A 69 -5.453 1.216 -17.198 1.00 0.00 C ATOM 706 CE LYS A 69 -5.275 0.253 -18.364 1.00 0.00 C ATOM 707 NZ LYS A 69 -6.468 0.210 -19.254 1.00 0.00 N ATOM 0 H LYS A 69 -6.303 -0.219 -13.327 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.593 1.735 -14.733 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.612 1.442 -14.514 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.798 2.743 -15.359 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.571 -0.213 -16.048 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.564 0.954 -16.898 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.589 2.228 -17.580 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.547 1.224 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.402 0.549 -18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.077 -0.747 -17.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.272 -0.407 -20.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.282 -0.163 -18.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.684 1.170 -19.591 1.00 0.00 H new ATOM 720 N GLN A 70 -4.645 3.482 -13.012 1.00 0.00 N ATOM 721 CA GLN A 70 -4.530 4.467 -11.944 1.00 0.00 C ATOM 722 C GLN A 70 -5.785 5.336 -11.849 1.00 0.00 C ATOM 723 O GLN A 70 -6.332 5.764 -12.868 1.00 0.00 O ATOM 724 CB GLN A 70 -3.301 5.355 -12.189 1.00 0.00 C ATOM 725 CG GLN A 70 -3.051 6.358 -11.078 1.00 0.00 C ATOM 726 CD GLN A 70 -2.760 5.683 -9.754 1.00 0.00 C ATOM 727 OE1 GLN A 70 -2.147 4.616 -9.711 1.00 0.00 O ATOM 728 NE2 GLN A 70 -3.225 6.285 -8.669 1.00 0.00 N ATOM 0 H GLN A 70 -3.964 3.601 -13.762 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.417 3.932 -11.001 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.421 4.722 -12.301 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.431 5.891 -13.129 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.211 6.998 -11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.922 7.004 -10.971 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.728 7.169 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.080 5.865 -7.751 1.00 0.00 H new ATOM 737 N TRP A 71 -6.234 5.588 -10.622 1.00 0.00 N ATOM 738 CA TRP A 71 -7.372 6.469 -10.379 1.00 0.00 C ATOM 739 C TRP A 71 -6.890 7.912 -10.258 1.00 0.00 C ATOM 740 O TRP A 71 -5.703 8.157 -10.030 1.00 0.00 O ATOM 741 CB TRP A 71 -8.120 6.049 -9.110 1.00 0.00 C ATOM 742 CG TRP A 71 -8.901 4.773 -9.259 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.406 3.522 -9.501 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.322 4.626 -9.160 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.432 2.610 -9.565 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.618 3.263 -9.358 1.00 0.00 C ATOM 747 CE3 TRP A 71 -11.374 5.515 -8.924 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.920 2.772 -9.328 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.666 5.025 -8.895 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.929 3.666 -9.094 1.00 0.00 C ATOM 0 H TRP A 71 -5.824 5.192 -9.776 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.061 6.392 -11.220 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.402 5.932 -8.298 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.801 6.849 -8.820 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.360 3.285 -9.624 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.327 1.610 -9.738 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -11.181 6.566 -8.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.126 1.723 -9.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -13.487 5.704 -8.716 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.950 3.315 -9.062 1.00 0.00 H new ATOM 761 N GLU A 72 -7.813 8.862 -10.377 1.00 0.00 N ATOM 762 CA GLU A 72 -7.439 10.270 -10.510 1.00 0.00 C ATOM 763 C GLU A 72 -7.239 10.950 -9.155 1.00 0.00 C ATOM 764 O GLU A 72 -7.158 12.179 -9.083 1.00 0.00 O ATOM 765 CB GLU A 72 -8.495 11.048 -11.305 1.00 0.00 C ATOM 766 CG GLU A 72 -8.857 10.439 -12.655 1.00 0.00 C ATOM 767 CD GLU A 72 -7.651 10.046 -13.479 1.00 0.00 C ATOM 768 OE1 GLU A 72 -6.852 10.931 -13.849 1.00 0.00 O ATOM 769 OE2 GLU A 72 -7.505 8.840 -13.764 1.00 0.00 O ATOM 0 H GLU A 72 -8.818 8.687 -10.384 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.490 10.282 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.400 11.124 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.133 12.063 -11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.480 9.559 -12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.456 11.154 -13.219 1.00 0.00 H new ATOM 776 N ASP A 73 -7.174 10.171 -8.082 1.00 0.00 N ATOM 777 CA ASP A 73 -6.940 10.735 -6.757 1.00 0.00 C ATOM 778 C ASP A 73 -6.243 9.735 -5.841 1.00 0.00 C ATOM 779 O ASP A 73 -6.814 8.705 -5.474 1.00 0.00 O ATOM 780 CB ASP A 73 -8.244 11.191 -6.105 1.00 0.00 C ATOM 781 CG ASP A 73 -7.996 11.927 -4.804 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.730 13.148 -4.844 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.075 11.294 -3.730 1.00 0.00 O ATOM 0 H ASP A 73 -7.279 9.157 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.292 11.600 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.786 11.841 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.879 10.325 -5.917 1.00 0.00 H new ATOM 788 N PRO A 74 -4.985 10.014 -5.487 1.00 0.00 N ATOM 789 CA PRO A 74 -4.221 9.223 -4.542 1.00 0.00 C ATOM 790 C PRO A 74 -4.175 9.859 -3.151 1.00 0.00 C ATOM 791 O PRO A 74 -3.390 9.448 -2.295 1.00 0.00 O ATOM 792 CB PRO A 74 -2.840 9.256 -5.182 1.00 0.00 C ATOM 793 CG PRO A 74 -2.751 10.606 -5.829 1.00 0.00 C ATOM 794 CD PRO A 74 -4.164 11.110 -6.020 1.00 0.00 C ATOM 0 HA PRO A 74 -4.636 8.229 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.055 9.122 -4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.724 8.457 -5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.179 11.293 -5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.235 10.539 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.336 12.041 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.384 11.304 -7.070 1.00 0.00 H new ATOM 802 N SER A 75 -5.038 10.842 -2.928 1.00 0.00 N ATOM 803 CA SER A 75 -4.978 11.679 -1.732 1.00 0.00 C ATOM 804 C SER A 75 -5.640 11.011 -0.522 1.00 0.00 C ATOM 805 O SER A 75 -6.228 11.678 0.326 1.00 0.00 O ATOM 806 CB SER A 75 -5.653 13.019 -2.024 1.00 0.00 C ATOM 807 OG SER A 75 -5.346 13.460 -3.338 1.00 0.00 O ATOM 0 H SER A 75 -5.796 11.082 -3.566 1.00 0.00 H new ATOM 0 HA SER A 75 -3.929 11.831 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.733 12.920 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.324 13.763 -1.299 1.00 0.00 H new ATOM 0 HG SER A 75 -6.148 13.402 -3.898 1.00 0.00 H new ATOM 813 N GLN A 76 -5.536 9.694 -0.443 1.00 0.00 N ATOM 814 CA GLN A 76 -6.085 8.963 0.690 1.00 0.00 C ATOM 815 C GLN A 76 -4.968 8.352 1.525 1.00 0.00 C ATOM 816 O GLN A 76 -5.212 7.786 2.586 1.00 0.00 O ATOM 817 CB GLN A 76 -7.046 7.868 0.215 1.00 0.00 C ATOM 818 CG GLN A 76 -8.297 8.409 -0.462 1.00 0.00 C ATOM 819 CD GLN A 76 -9.127 9.301 0.447 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.146 8.998 1.739 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -9.768 10.245 -0.014 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.080 9.111 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.640 9.667 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.522 7.212 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.340 7.258 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.008 8.972 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.910 7.574 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.729 10.448 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.338 10.824 0.603 1.00 0.00 H new ATOM 830 N ALA A 77 -3.737 8.487 1.048 1.00 0.00 N ATOM 831 CA ALA A 77 -2.588 7.902 1.731 1.00 0.00 C ATOM 832 C ALA A 77 -1.655 8.983 2.255 1.00 0.00 C ATOM 833 O ALA A 77 -0.495 8.720 2.576 1.00 0.00 O ATOM 834 CB ALA A 77 -1.844 6.965 0.796 1.00 0.00 C ATOM 0 H ALA A 77 -3.508 8.995 0.193 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.953 7.331 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.989 6.535 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.512 6.166 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.496 7.521 -0.075 1.00 0.00 H new ATOM 840 N SER A 78 -2.178 10.194 2.350 1.00 0.00 N ATOM 841 CA SER A 78 -1.409 11.341 2.808 1.00 0.00 C ATOM 842 C SER A 78 -0.789 11.091 4.186 1.00 0.00 C ATOM 843 O SER A 78 0.347 11.491 4.448 1.00 0.00 O ATOM 844 CB SER A 78 -2.318 12.564 2.846 1.00 0.00 C ATOM 845 OG SER A 78 -3.080 12.653 1.654 1.00 0.00 O ATOM 0 H SER A 78 -3.146 10.410 2.112 1.00 0.00 H new ATOM 0 HA SER A 78 -0.587 11.511 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.984 12.503 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.719 13.466 2.970 1.00 0.00 H new ATOM 0 HG SER A 78 -3.660 13.442 1.694 1.00 0.00 H new ATOM 851 N LYS A 79 -1.526 10.400 5.054 1.00 0.00 N ATOM 852 CA LYS A 79 -1.047 10.116 6.402 1.00 0.00 C ATOM 853 C LYS A 79 0.191 9.219 6.366 1.00 0.00 C ATOM 854 O LYS A 79 1.071 9.330 7.219 1.00 0.00 O ATOM 855 CB LYS A 79 -2.150 9.462 7.237 1.00 0.00 C ATOM 856 CG LYS A 79 -1.781 9.286 8.701 1.00 0.00 C ATOM 857 CD LYS A 79 -2.868 8.558 9.468 1.00 0.00 C ATOM 858 CE LYS A 79 -2.518 8.415 10.941 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.523 9.728 11.646 1.00 0.00 N ATOM 0 H LYS A 79 -2.453 10.029 4.847 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.770 11.062 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.053 10.068 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.387 8.487 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.847 8.730 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.608 10.263 9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.809 9.100 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.021 7.570 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.231 7.744 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.534 7.956 11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.448 9.572 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.716 10.299 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.409 10.231 11.436 1.00 0.00 H new ATOM 872 N VAL A 80 0.265 8.346 5.367 1.00 0.00 N ATOM 873 CA VAL A 80 1.420 7.471 5.212 1.00 0.00 C ATOM 874 C VAL A 80 2.643 8.300 4.835 1.00 0.00 C ATOM 875 O VAL A 80 3.720 8.140 5.412 1.00 0.00 O ATOM 876 CB VAL A 80 1.183 6.377 4.143 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.432 5.525 3.953 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.008 5.504 4.520 1.00 0.00 C ATOM 0 H VAL A 80 -0.457 8.226 4.657 1.00 0.00 H new ATOM 0 HA VAL A 80 1.585 6.969 6.166 1.00 0.00 H new ATOM 0 HB VAL A 80 0.961 6.871 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.241 4.763 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.258 6.158 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.691 5.044 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.157 4.742 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.183 5.023 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.903 6.122 4.595 1.00 0.00 H new ATOM 888 N CYS A 81 2.457 9.208 3.883 1.00 0.00 N ATOM 889 CA CYS A 81 3.511 10.136 3.494 1.00 0.00 C ATOM 890 C CYS A 81 3.936 10.983 4.695 1.00 0.00 C ATOM 891 O CYS A 81 5.122 11.227 4.909 1.00 0.00 O ATOM 892 CB CYS A 81 3.033 11.043 2.352 1.00 0.00 C ATOM 893 SG CYS A 81 2.431 10.154 0.875 1.00 0.00 S ATOM 0 H CYS A 81 1.585 9.321 3.366 1.00 0.00 H new ATOM 0 HA CYS A 81 4.369 9.561 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.234 11.684 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.854 11.696 2.057 1.00 0.00 H new ATOM 898 N GLN A 82 2.957 11.406 5.489 1.00 0.00 N ATOM 899 CA GLN A 82 3.215 12.214 6.678 1.00 0.00 C ATOM 900 C GLN A 82 4.055 11.445 7.700 1.00 0.00 C ATOM 901 O GLN A 82 4.986 11.996 8.288 1.00 0.00 O ATOM 902 CB GLN A 82 1.892 12.653 7.311 1.00 0.00 C ATOM 903 CG GLN A 82 2.062 13.506 8.560 1.00 0.00 C ATOM 904 CD GLN A 82 2.731 14.842 8.285 1.00 0.00 C ATOM 905 OE1 GLN A 82 2.460 15.422 7.124 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 3.463 15.363 9.127 1.00 0.00 N flip ATOM 0 H GLN A 82 1.971 11.201 5.329 1.00 0.00 H new ATOM 0 HA GLN A 82 3.779 13.095 6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.316 13.214 6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.309 11.767 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.084 13.682 9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.653 12.955 9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.647 14.885 10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.885 16.273 8.943 1.00 0.00 H new ATOM 915 N ARG A 83 3.732 10.172 7.899 1.00 0.00 N ATOM 916 CA ARG A 83 4.476 9.332 8.838 1.00 0.00 C ATOM 917 C ARG A 83 5.916 9.119 8.380 1.00 0.00 C ATOM 918 O ARG A 83 6.798 8.841 9.191 1.00 0.00 O ATOM 919 CB ARG A 83 3.786 7.977 9.036 1.00 0.00 C ATOM 920 CG ARG A 83 2.640 8.000 10.039 1.00 0.00 C ATOM 921 CD ARG A 83 3.117 8.424 11.422 1.00 0.00 C ATOM 922 NE ARG A 83 2.122 8.161 12.461 1.00 0.00 N ATOM 923 CZ ARG A 83 1.490 9.117 13.133 1.00 0.00 C ATOM 924 NH1 ARG A 83 1.644 10.386 12.783 1.00 0.00 N ATOM 925 NH2 ARG A 83 0.680 8.810 14.131 1.00 0.00 N ATOM 0 H ARG A 83 2.963 9.698 7.426 1.00 0.00 H new ATOM 0 HA ARG A 83 4.493 9.859 9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.406 7.632 8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.528 7.249 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.867 8.686 9.694 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.186 7.011 10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.039 7.895 11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.354 9.488 11.411 1.00 0.00 H new ATOM 0 HE ARG A 83 1.901 7.190 12.682 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.248 10.629 11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.159 11.120 13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.537 7.834 14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.198 9.549 14.643 1.00 0.00 H new ATOM 938 N LEU A 84 6.150 9.247 7.084 1.00 0.00 N ATOM 939 CA LEU A 84 7.496 9.139 6.544 1.00 0.00 C ATOM 940 C LEU A 84 8.136 10.517 6.407 1.00 0.00 C ATOM 941 O LEU A 84 9.248 10.651 5.892 1.00 0.00 O ATOM 942 CB LEU A 84 7.467 8.436 5.190 1.00 0.00 C ATOM 943 CG LEU A 84 6.945 6.997 5.217 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.836 6.440 3.810 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.845 6.112 6.064 1.00 0.00 C ATOM 0 H LEU A 84 5.427 9.426 6.387 1.00 0.00 H new ATOM 0 HA LEU A 84 8.096 8.548 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.847 9.018 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.476 8.432 4.778 1.00 0.00 H new ATOM 0 HG LEU A 84 5.951 7.008 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.463 5.417 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.148 7.053 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.818 6.449 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.455 5.094 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.852 6.112 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.875 6.494 7.084 1.00 0.00 H new ATOM 957 N ASN A 85 7.415 11.536 6.887 1.00 0.00 N ATOM 958 CA ASN A 85 7.874 12.926 6.846 1.00 0.00 C ATOM 959 C ASN A 85 8.082 13.374 5.399 1.00 0.00 C ATOM 960 O ASN A 85 9.103 13.959 5.040 1.00 0.00 O ATOM 961 CB ASN A 85 9.154 13.091 7.683 1.00 0.00 C ATOM 962 CG ASN A 85 9.528 14.544 7.935 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.348 15.125 7.223 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.923 15.145 8.948 1.00 0.00 N ATOM 0 H ASN A 85 6.497 11.419 7.315 1.00 0.00 H new ATOM 0 HA ASN A 85 7.109 13.567 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.021 12.587 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.979 12.594 7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.131 16.121 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.249 14.632 9.516 1.00 0.00 H new ATOM 971 N CYS A 86 7.095 13.082 4.567 1.00 0.00 N ATOM 972 CA CYS A 86 7.151 13.417 3.155 1.00 0.00 C ATOM 973 C CYS A 86 6.038 14.396 2.789 1.00 0.00 C ATOM 974 O CYS A 86 5.256 14.804 3.650 1.00 0.00 O ATOM 975 CB CYS A 86 7.029 12.142 2.319 1.00 0.00 C ATOM 976 SG CYS A 86 8.277 10.880 2.716 1.00 0.00 S ATOM 0 H CYS A 86 6.237 12.609 4.850 1.00 0.00 H new ATOM 0 HA CYS A 86 8.108 13.895 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.036 11.716 2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.112 12.402 1.264 1.00 0.00 H new ATOM 981 N GLY A 87 5.970 14.770 1.520 1.00 0.00 N ATOM 982 CA GLY A 87 4.940 15.683 1.066 1.00 0.00 C ATOM 983 C GLY A 87 3.654 14.968 0.699 1.00 0.00 C ATOM 984 O GLY A 87 3.235 14.036 1.386 1.00 0.00 O ATOM 0 H GLY A 87 6.613 14.456 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.736 16.414 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.305 16.236 0.201 1.00 0.00 H new ATOM 988 N ASP A 88 3.027 15.402 -0.384 1.00 0.00 N ATOM 989 CA ASP A 88 1.770 14.808 -0.832 1.00 0.00 C ATOM 990 C ASP A 88 2.020 13.556 -1.660 1.00 0.00 C ATOM 991 O ASP A 88 3.071 13.416 -2.292 1.00 0.00 O ATOM 992 CB ASP A 88 0.963 15.805 -1.668 1.00 0.00 C ATOM 993 CG ASP A 88 0.432 16.964 -0.856 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.634 16.818 -0.219 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.075 18.033 -0.853 1.00 0.00 O ATOM 0 H ASP A 88 3.366 16.164 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 88 1.203 14.540 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.591 16.189 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.128 15.285 -2.137 1.00 0.00 H new ATOM 1000 N PRO A 89 1.058 12.620 -1.645 1.00 0.00 N ATOM 1001 CA PRO A 89 1.102 11.431 -2.484 1.00 0.00 C ATOM 1002 C PRO A 89 0.716 11.744 -3.928 1.00 0.00 C ATOM 1003 O PRO A 89 -0.445 12.015 -4.233 1.00 0.00 O ATOM 1004 CB PRO A 89 0.083 10.493 -1.836 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.881 11.380 -1.126 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.141 12.648 -0.785 1.00 0.00 C ATOM 0 HA PRO A 89 2.102 11.001 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.423 9.885 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.568 9.806 -1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.744 11.594 -1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.257 10.898 -0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.751 13.529 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.129 12.678 0.271 1.00 0.00 H new ATOM 1014 N LEU A 90 1.704 11.705 -4.807 1.00 0.00 N ATOM 1015 CA LEU A 90 1.508 12.022 -6.216 1.00 0.00 C ATOM 1016 C LEU A 90 0.862 10.863 -6.959 1.00 0.00 C ATOM 1017 O LEU A 90 0.177 11.055 -7.964 1.00 0.00 O ATOM 1018 CB LEU A 90 2.850 12.343 -6.871 1.00 0.00 C ATOM 1019 CG LEU A 90 3.592 13.556 -6.306 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.958 13.688 -6.962 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.781 14.828 -6.511 1.00 0.00 C ATOM 0 H LEU A 90 2.663 11.454 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 90 0.847 12.887 -6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.496 11.470 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.684 12.506 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 90 3.729 13.408 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.476 14.555 -6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.543 12.789 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.834 13.815 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.327 15.678 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.612 14.984 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.822 14.734 -6.002 1.00 0.00 H new ATOM 1033 N SER A 91 1.103 9.658 -6.476 1.00 0.00 N ATOM 1034 CA SER A 91 0.597 8.461 -7.124 1.00 0.00 C ATOM 1035 C SER A 91 0.336 7.367 -6.097 1.00 0.00 C ATOM 1036 O SER A 91 1.034 7.275 -5.085 1.00 0.00 O ATOM 1037 CB SER A 91 1.590 7.968 -8.180 1.00 0.00 C ATOM 1038 OG SER A 91 1.862 8.981 -9.137 1.00 0.00 O ATOM 0 H SER A 91 1.649 9.482 -5.633 1.00 0.00 H new ATOM 0 HA SER A 91 -0.344 8.707 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.518 7.661 -7.697 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.186 7.089 -8.681 1.00 0.00 H new ATOM 0 HG SER A 91 2.500 8.642 -9.800 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.676 6.552 -6.364 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.071 5.473 -5.468 1.00 0.00 C ATOM 1046 C LEU A 92 -1.722 4.371 -6.296 1.00 0.00 C ATOM 1047 O LEU A 92 -2.932 4.399 -6.537 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.063 5.998 -4.416 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.150 5.217 -3.093 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -3.206 5.837 -2.188 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.461 3.745 -3.323 1.00 0.00 C ATOM 0 H LEU A 92 -1.246 6.620 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.196 5.081 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.798 7.030 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.056 6.017 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.175 5.278 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.260 5.277 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.940 6.872 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.175 5.806 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.514 3.230 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.417 3.651 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.675 3.298 -3.932 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.922 3.424 -6.749 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.442 2.360 -7.586 1.00 0.00 C ATOM 1065 C GLY A 93 -0.356 1.396 -8.006 1.00 0.00 C ATOM 1066 O GLY A 93 0.654 1.283 -7.316 1.00 0.00 O ATOM 0 H GLY A 93 0.078 3.369 -6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.219 1.819 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.909 2.790 -8.472 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.529 0.683 -9.131 1.00 0.00 N ATOM 1071 CA PRO A 94 0.482 -0.252 -9.637 1.00 0.00 C ATOM 1072 C PRO A 94 1.821 0.440 -9.892 1.00 0.00 C ATOM 1073 O PRO A 94 1.934 1.293 -10.774 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.117 -0.758 -10.958 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.581 -0.523 -10.827 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.723 0.723 -9.997 1.00 0.00 C ATOM 0 HA PRO A 94 0.695 -1.048 -8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.295 -0.219 -11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.102 -1.815 -11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.046 -0.397 -11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.072 -1.370 -10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.743 1.620 -10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.644 0.717 -9.415 1.00 0.00 H new ATOM 1084 N PHE A 95 2.827 0.087 -9.103 1.00 0.00 N ATOM 1085 CA PHE A 95 4.143 0.692 -9.244 1.00 0.00 C ATOM 1086 C PHE A 95 5.121 -0.294 -9.869 1.00 0.00 C ATOM 1087 O PHE A 95 5.906 0.071 -10.743 1.00 0.00 O ATOM 1088 CB PHE A 95 4.661 1.166 -7.882 1.00 0.00 C ATOM 1089 CG PHE A 95 5.889 2.033 -7.962 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.786 3.373 -8.305 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.146 1.510 -7.694 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.913 4.172 -8.380 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.273 2.305 -7.767 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.156 3.636 -8.111 1.00 0.00 C ATOM 0 H PHE A 95 2.757 -0.611 -8.363 1.00 0.00 H new ATOM 0 HA PHE A 95 4.056 1.556 -9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.870 1.720 -7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.883 0.295 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.815 3.797 -8.516 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.244 0.469 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.820 5.214 -8.649 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.245 1.885 -7.555 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.037 4.258 -8.170 1.00 0.00 H new ATOM 1104 N LEU A 96 5.055 -1.547 -9.436 1.00 0.00 N ATOM 1105 CA LEU A 96 5.980 -2.567 -9.914 1.00 0.00 C ATOM 1106 C LEU A 96 5.242 -3.846 -10.289 1.00 0.00 C ATOM 1107 O LEU A 96 4.072 -4.033 -9.947 1.00 0.00 O ATOM 1108 CB LEU A 96 7.046 -2.875 -8.853 1.00 0.00 C ATOM 1109 CG LEU A 96 8.020 -1.732 -8.527 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.968 -2.141 -7.412 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.813 -1.312 -9.763 1.00 0.00 C ATOM 0 H LEU A 96 4.372 -1.881 -8.756 1.00 0.00 H new ATOM 0 HA LEU A 96 6.470 -2.175 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.541 -3.169 -7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.625 -3.736 -9.187 1.00 0.00 H new ATOM 0 HG LEU A 96 7.431 -0.878 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.650 -1.319 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.394 -2.383 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.540 -3.015 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.493 -0.502 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.386 -2.162 -10.134 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.126 -0.972 -10.538 1.00 0.00 H new ATOM 1123 N LYS A 97 5.938 -4.713 -11.002 1.00 0.00 N ATOM 1124 CA LYS A 97 5.388 -5.983 -11.451 1.00 0.00 C ATOM 1125 C LYS A 97 6.193 -7.130 -10.854 1.00 0.00 C ATOM 1126 O LYS A 97 6.542 -8.090 -11.542 1.00 0.00 O ATOM 1127 CB LYS A 97 5.435 -6.054 -12.979 1.00 0.00 C ATOM 1128 CG LYS A 97 4.761 -4.881 -13.670 1.00 0.00 C ATOM 1129 CD LYS A 97 5.198 -4.765 -15.121 1.00 0.00 C ATOM 1130 CE LYS A 97 4.603 -3.536 -15.792 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.199 -3.295 -17.131 1.00 0.00 N ATOM 0 H LYS A 97 6.905 -4.557 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 97 4.352 -6.064 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.476 -6.102 -13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.958 -6.978 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.679 -5.002 -13.623 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.001 -3.959 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.286 -4.716 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.894 -5.659 -15.665 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.525 -3.662 -15.892 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.765 -2.663 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.768 -2.449 -17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.224 -3.149 -17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.023 -4.118 -17.742 1.00 0.00 H new ATOM 1144 N THR A 98 6.500 -7.009 -9.572 1.00 0.00 N ATOM 1145 CA THR A 98 7.340 -7.975 -8.881 1.00 0.00 C ATOM 1146 C THR A 98 6.631 -9.317 -8.725 1.00 0.00 C ATOM 1147 O THR A 98 7.226 -10.367 -8.982 1.00 0.00 O ATOM 1148 CB THR A 98 7.735 -7.435 -7.499 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.126 -6.063 -7.627 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.878 -8.240 -6.898 1.00 0.00 C ATOM 0 H THR A 98 6.176 -6.242 -8.983 1.00 0.00 H new ATOM 0 HA THR A 98 8.236 -8.130 -9.483 1.00 0.00 H new ATOM 0 HB THR A 98 6.876 -7.521 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.861 -5.571 -6.822 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.135 -7.833 -5.920 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.572 -9.281 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.747 -8.184 -7.554 1.00 0.00 H new ATOM 1158 N TYR A 99 5.357 -9.275 -8.336 1.00 0.00 N ATOM 1159 CA TYR A 99 4.566 -10.491 -8.135 1.00 0.00 C ATOM 1160 C TYR A 99 5.195 -11.396 -7.079 1.00 0.00 C ATOM 1161 O TYR A 99 5.903 -12.352 -7.403 1.00 0.00 O ATOM 1162 CB TYR A 99 4.398 -11.266 -9.448 1.00 0.00 C ATOM 1163 CG TYR A 99 3.159 -10.886 -10.225 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.176 -9.835 -11.134 1.00 0.00 C ATOM 1165 CD2 TYR A 99 1.966 -11.580 -10.045 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.041 -9.486 -11.839 1.00 0.00 C ATOM 1167 CE2 TYR A 99 0.829 -11.235 -10.745 1.00 0.00 C ATOM 1168 CZ TYR A 99 0.871 -10.188 -11.640 1.00 0.00 C ATOM 1169 OH TYR A 99 -0.269 -9.834 -12.326 1.00 0.00 O ATOM 0 H TYR A 99 4.849 -8.410 -8.153 1.00 0.00 H new ATOM 0 HA TYR A 99 3.583 -10.178 -7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.274 -11.097 -10.074 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.365 -12.333 -9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.091 -9.283 -11.291 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.930 -12.402 -9.346 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.070 -8.667 -12.543 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.089 -11.782 -10.593 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.164 -10.060 -13.274 1.00 0.00 H new ATOM 1179 N THR A 100 4.939 -11.081 -5.818 1.00 0.00 N ATOM 1180 CA THR A 100 5.411 -11.900 -4.713 1.00 0.00 C ATOM 1181 C THR A 100 4.242 -12.673 -4.101 1.00 0.00 C ATOM 1182 O THR A 100 3.612 -12.200 -3.150 1.00 0.00 O ATOM 1183 CB THR A 100 6.063 -11.029 -3.622 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.876 -10.019 -4.231 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.915 -11.878 -2.688 1.00 0.00 C ATOM 0 H THR A 100 4.404 -10.260 -5.534 1.00 0.00 H new ATOM 0 HA THR A 100 6.154 -12.596 -5.102 1.00 0.00 H new ATOM 0 HB THR A 100 5.272 -10.559 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.900 -9.227 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.365 -11.241 -1.926 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.289 -12.631 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.701 -12.371 -3.260 1.00 0.00 H new ATOM 1193 N PRO A 101 3.944 -13.874 -4.629 1.00 0.00 N ATOM 1194 CA PRO A 101 2.755 -14.642 -4.245 1.00 0.00 C ATOM 1195 C PRO A 101 2.913 -15.359 -2.907 1.00 0.00 C ATOM 1196 O PRO A 101 2.671 -16.562 -2.798 1.00 0.00 O ATOM 1197 CB PRO A 101 2.617 -15.652 -5.383 1.00 0.00 C ATOM 1198 CG PRO A 101 4.012 -15.883 -5.849 1.00 0.00 C ATOM 1199 CD PRO A 101 4.756 -14.591 -5.633 1.00 0.00 C ATOM 0 HA PRO A 101 1.885 -14.000 -4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.156 -16.577 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.990 -15.263 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.477 -16.696 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.027 -16.168 -6.901 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.769 -14.769 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.842 -14.021 -6.558 1.00 0.00 H new ATOM 1207 N GLN A 102 3.318 -14.610 -1.895 1.00 0.00 N ATOM 1208 CA GLN A 102 3.456 -15.144 -0.549 1.00 0.00 C ATOM 1209 C GLN A 102 3.468 -14.009 0.468 1.00 0.00 C ATOM 1210 O GLN A 102 2.812 -14.082 1.507 1.00 0.00 O ATOM 1211 CB GLN A 102 4.735 -15.978 -0.415 1.00 0.00 C ATOM 1212 CG GLN A 102 4.835 -16.697 0.918 1.00 0.00 C ATOM 1213 CD GLN A 102 3.779 -17.775 1.079 1.00 0.00 C ATOM 1214 OE1 GLN A 102 3.393 -18.440 0.117 1.00 0.00 O ATOM 1215 NE2 GLN A 102 3.272 -17.922 2.291 1.00 0.00 N ATOM 0 H GLN A 102 3.559 -13.623 -1.981 1.00 0.00 H new ATOM 0 HA GLN A 102 2.602 -15.793 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.771 -16.711 -1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.601 -15.328 -0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.824 -17.145 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.736 -15.972 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.619 -17.351 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.533 -18.606 2.455 1.00 0.00 H new ATOM 1224 N SER A 103 4.207 -12.957 0.159 1.00 0.00 N ATOM 1225 CA SER A 103 4.334 -11.827 1.063 1.00 0.00 C ATOM 1226 C SER A 103 3.264 -10.772 0.797 1.00 0.00 C ATOM 1227 O SER A 103 2.884 -10.024 1.701 1.00 0.00 O ATOM 1228 CB SER A 103 5.724 -11.214 0.924 1.00 0.00 C ATOM 1229 OG SER A 103 6.725 -12.205 1.083 1.00 0.00 O ATOM 0 H SER A 103 4.729 -12.862 -0.712 1.00 0.00 H new ATOM 0 HA SER A 103 4.193 -12.189 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.823 -10.743 -0.054 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.858 -10.431 1.670 1.00 0.00 H new ATOM 0 HG SER A 103 7.610 -11.794 0.989 1.00 0.00 H new ATOM 1235 N SER A 104 2.766 -10.722 -0.435 1.00 0.00 N ATOM 1236 CA SER A 104 1.795 -9.704 -0.810 1.00 0.00 C ATOM 1237 C SER A 104 0.399 -10.085 -0.320 1.00 0.00 C ATOM 1238 O SER A 104 0.029 -11.265 -0.302 1.00 0.00 O ATOM 1239 CB SER A 104 1.796 -9.485 -2.331 1.00 0.00 C ATOM 1240 OG SER A 104 1.466 -10.676 -3.025 1.00 0.00 O ATOM 0 H SER A 104 3.017 -11.369 -1.183 1.00 0.00 H new ATOM 0 HA SER A 104 2.081 -8.767 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.082 -8.703 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.779 -9.137 -2.649 1.00 0.00 H new ATOM 0 HG SER A 104 2.283 -11.186 -3.206 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.363 -9.083 0.091 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.706 -9.299 0.603 1.00 0.00 C ATOM 1248 C ILE A 105 -2.721 -8.477 -0.183 1.00 0.00 C ATOM 1249 O ILE A 105 -2.404 -7.409 -0.714 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.820 -8.926 2.098 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.390 -7.471 2.313 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.997 -9.884 2.953 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.566 -6.975 3.730 1.00 0.00 C ATOM 0 H ILE A 105 -0.071 -8.106 0.079 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.917 -10.362 0.489 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.861 -9.019 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.342 -7.368 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.964 -6.832 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.089 -9.606 4.003 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.362 -10.901 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.050 -9.830 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.238 -5.937 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.617 -7.042 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.970 -7.587 4.407 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.938 -8.985 -0.248 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.040 -8.281 -0.880 1.00 0.00 C ATOM 1267 C ILE A 106 -6.113 -7.991 0.161 1.00 0.00 C ATOM 1268 O ILE A 106 -6.580 -8.896 0.858 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.636 -9.083 -2.066 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.716 -8.981 -3.285 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.037 -8.593 -2.416 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.176 -9.800 -4.471 1.00 0.00 C ATOM 0 H ILE A 106 -4.191 -9.896 0.135 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.659 -7.345 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.713 -10.128 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.641 -7.936 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.715 -9.303 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.428 -9.175 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.691 -8.713 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.995 -7.540 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.472 -9.675 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.223 -10.852 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.164 -9.463 -4.784 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.475 -6.728 0.286 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.450 -6.311 1.280 1.00 0.00 C ATOM 1286 C CYS A 107 -8.823 -6.135 0.645 1.00 0.00 C ATOM 1287 O CYS A 107 -8.935 -5.730 -0.513 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.990 -5.014 1.941 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.329 -5.131 2.684 1.00 0.00 S ATOM 0 H CYS A 107 -6.108 -5.970 -0.290 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.531 -7.086 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.993 -4.216 1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.707 -4.734 2.713 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.865 -6.447 1.402 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.225 -6.398 0.886 1.00 0.00 C ATOM 1296 C TYR A 108 -12.080 -5.458 1.727 1.00 0.00 C ATOM 1297 O TYR A 108 -11.668 -5.028 2.808 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.858 -7.795 0.906 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.067 -8.867 0.183 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.165 -9.027 -1.195 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.237 -9.733 0.885 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.458 -10.017 -1.850 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.526 -10.722 0.238 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.640 -10.861 -1.128 1.00 0.00 C ATOM 1305 OH TYR A 108 -8.934 -11.850 -1.773 1.00 0.00 O ATOM 0 H TYR A 108 -9.794 -6.737 2.377 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.181 -6.033 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.993 -8.102 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.851 -7.734 0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.804 -8.367 -1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.147 -9.630 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.545 -10.129 -2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.883 -11.384 0.799 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.406 -12.354 -1.119 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.267 -5.141 1.231 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.222 -4.394 2.018 1.00 0.00 C ATOM 1317 C GLY A 109 -14.041 -2.893 1.929 1.00 0.00 C ATOM 1318 O GLY A 109 -14.151 -2.303 0.850 1.00 0.00 O ATOM 0 H GLY A 109 -13.585 -5.389 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.229 -4.650 1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.139 -4.700 3.061 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.770 -2.282 3.071 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.725 -0.833 3.184 1.00 0.00 C ATOM 1324 C GLN A 110 -12.398 -0.264 2.693 1.00 0.00 C ATOM 1325 O GLN A 110 -11.331 -0.614 3.201 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.975 -0.431 4.635 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.048 1.065 4.863 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.533 1.394 6.254 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -13.743 1.556 7.185 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.845 1.459 6.413 1.00 0.00 N ATOM 0 H GLN A 110 -13.576 -2.774 3.943 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.506 -0.417 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.908 -0.884 4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.180 -0.843 5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.063 1.505 4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.717 1.513 4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.463 1.318 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.238 1.650 7.335 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.487 0.623 1.705 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.315 1.271 1.121 1.00 0.00 C ATOM 1341 C LEU A 111 -10.497 2.000 2.181 1.00 0.00 C ATOM 1342 O LEU A 111 -11.018 2.843 2.910 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.750 2.264 0.033 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.629 3.110 -0.586 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.703 2.258 -1.439 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -11.211 4.255 -1.407 1.00 0.00 C ATOM 0 H LEU A 111 -13.371 0.912 1.287 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.689 0.495 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -12.242 1.707 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.495 2.937 0.458 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.040 3.532 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.919 2.886 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.251 1.482 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.273 1.795 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -10.400 4.843 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.831 3.851 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.819 4.891 -0.764 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.217 1.665 2.261 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.333 2.332 3.193 1.00 0.00 C ATOM 1360 C GLY A 112 -8.179 1.572 4.492 1.00 0.00 C ATOM 1361 O GLY A 112 -7.358 1.934 5.340 1.00 0.00 O ATOM 0 H GLY A 112 -8.775 0.941 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.353 2.459 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.718 3.330 3.403 1.00 0.00 H new ATOM 1365 N SER A 113 -8.959 0.514 4.659 1.00 0.00 N ATOM 1366 CA SER A 113 -8.895 -0.274 5.873 1.00 0.00 C ATOM 1367 C SER A 113 -8.200 -1.607 5.612 1.00 0.00 C ATOM 1368 O SER A 113 -8.609 -2.378 4.742 1.00 0.00 O ATOM 1369 CB SER A 113 -10.298 -0.513 6.436 1.00 0.00 C ATOM 1370 OG SER A 113 -10.237 -0.925 7.791 1.00 0.00 O ATOM 0 H SER A 113 -9.638 0.186 3.972 1.00 0.00 H new ATOM 0 HA SER A 113 -8.315 0.283 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.887 0.401 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.807 -1.273 5.843 1.00 0.00 H new ATOM 0 HG SER A 113 -10.009 -0.158 8.356 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.148 -1.865 6.373 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.413 -3.118 6.292 1.00 0.00 C ATOM 1378 C PHE A 114 -6.877 -4.050 7.402 1.00 0.00 C ATOM 1379 O PHE A 114 -6.159 -4.955 7.823 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.908 -2.867 6.418 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.336 -2.017 5.314 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.349 -0.632 5.402 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.784 -2.605 4.187 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.820 0.145 4.391 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.254 -1.832 3.173 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.272 -0.455 3.275 1.00 0.00 C ATOM 0 H PHE A 114 -6.779 -1.212 7.064 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.606 -3.579 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.709 -2.384 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.390 -3.826 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.778 -0.157 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.768 -3.681 4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.835 1.222 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.826 -2.304 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.858 0.152 2.483 1.00 0.00 H new ATOM 1396 N SER A 115 -8.092 -3.807 7.873 1.00 0.00 N ATOM 1397 CA SER A 115 -8.661 -4.570 8.970 1.00 0.00 C ATOM 1398 C SER A 115 -8.959 -6.001 8.532 1.00 0.00 C ATOM 1399 O SER A 115 -9.007 -6.913 9.357 1.00 0.00 O ATOM 1400 CB SER A 115 -9.939 -3.888 9.472 1.00 0.00 C ATOM 1401 OG SER A 115 -10.384 -4.448 10.696 1.00 0.00 O ATOM 0 H SER A 115 -8.706 -3.080 7.507 1.00 0.00 H new ATOM 0 HA SER A 115 -7.936 -4.607 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.755 -2.822 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.723 -3.985 8.721 1.00 0.00 H new ATOM 0 HG SER A 115 -11.199 -3.989 10.988 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.145 -6.198 7.234 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.437 -7.521 6.707 1.00 0.00 C ATOM 1409 C ASN A 116 -8.686 -7.739 5.399 1.00 0.00 C ATOM 1410 O ASN A 116 -9.192 -7.445 4.314 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.942 -7.689 6.493 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.364 -9.144 6.353 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.610 -9.990 5.869 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.575 -9.448 6.793 1.00 0.00 N ATOM 0 H ASN A 116 -9.099 -5.461 6.530 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.107 -8.268 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.475 -7.241 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.239 -7.143 5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.911 -10.409 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.172 -8.721 7.188 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.466 -8.230 5.516 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.638 -8.505 4.356 1.00 0.00 C ATOM 1423 C CYS A 117 -6.290 -9.987 4.315 1.00 0.00 C ATOM 1424 O CYS A 117 -6.191 -10.632 5.359 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.364 -7.655 4.397 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.672 -5.864 4.545 1.00 0.00 S ATOM 0 H CYS A 117 -7.024 -8.448 6.409 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.191 -8.246 3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.751 -7.978 5.238 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.787 -7.840 3.491 1.00 0.00 H new ATOM 1431 N SER A 118 -6.123 -10.527 3.118 1.00 0.00 N ATOM 1432 CA SER A 118 -5.862 -11.947 2.956 1.00 0.00 C ATOM 1433 C SER A 118 -4.696 -12.184 2.003 1.00 0.00 C ATOM 1434 O SER A 118 -4.249 -11.266 1.310 1.00 0.00 O ATOM 1435 CB SER A 118 -7.117 -12.641 2.435 1.00 0.00 C ATOM 1436 OG SER A 118 -8.231 -12.377 3.274 1.00 0.00 O ATOM 0 H SER A 118 -6.164 -10.002 2.244 1.00 0.00 H new ATOM 0 HA SER A 118 -5.593 -12.364 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.331 -12.300 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.946 -13.716 2.380 1.00 0.00 H new ATOM 0 HG SER A 118 -9.023 -12.831 2.918 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.216 -13.421 1.976 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.101 -13.809 1.124 1.00 0.00 C ATOM 1444 C HIS A 119 -3.478 -13.629 -0.344 1.00 0.00 C ATOM 1445 O HIS A 119 -4.543 -14.074 -0.775 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.720 -15.267 1.408 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.452 -15.706 0.746 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.366 -16.817 -0.067 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.207 -15.178 0.788 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.126 -16.952 -0.494 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.595 -15.970 0.009 1.00 0.00 N ATOM 0 H HIS A 119 -4.589 -14.182 2.544 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.242 -13.173 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.621 -15.402 2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.533 -15.915 1.079 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.141 -17.437 -0.301 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.098 -14.297 1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.237 -17.734 -1.145 1.00 0.00 H new ATOM 1459 N SER A 120 -2.603 -12.972 -1.097 1.00 0.00 N ATOM 1460 CA SER A 120 -2.877 -12.629 -2.486 1.00 0.00 C ATOM 1461 C SER A 120 -3.035 -13.876 -3.361 1.00 0.00 C ATOM 1462 O SER A 120 -2.057 -14.548 -3.692 1.00 0.00 O ATOM 1463 CB SER A 120 -1.757 -11.740 -3.035 1.00 0.00 C ATOM 1464 OG SER A 120 -2.044 -11.296 -4.350 1.00 0.00 O ATOM 0 H SER A 120 -1.689 -12.664 -0.764 1.00 0.00 H new ATOM 0 HA SER A 120 -3.822 -12.086 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.621 -10.879 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.818 -12.293 -3.033 1.00 0.00 H new ATOM 0 HG SER A 120 -1.710 -10.382 -4.467 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.281 -14.189 -3.701 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.589 -15.282 -4.618 1.00 0.00 C ATOM 1472 C ARG A 121 -5.700 -14.870 -5.577 1.00 0.00 C ATOM 1473 O ARG A 121 -6.768 -15.484 -5.612 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.003 -16.546 -3.857 1.00 0.00 C ATOM 1475 CG ARG A 121 -3.859 -17.242 -3.140 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.349 -18.447 -2.355 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.270 -18.066 -1.286 1.00 0.00 N ATOM 1478 CZ ARG A 121 -5.282 -18.622 -0.081 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -4.434 -19.599 0.209 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -6.135 -18.199 0.836 1.00 0.00 N ATOM 0 H ARG A 121 -5.102 -13.695 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.686 -15.505 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.769 -16.283 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.458 -17.246 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.111 -17.559 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.370 -16.540 -2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.846 -19.143 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.495 -18.973 -1.928 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.946 -17.327 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.771 -19.924 -0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.445 -20.025 1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.785 -17.444 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.143 -18.628 1.762 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.449 -13.824 -6.348 1.00 0.00 N ATOM 1494 CA ASN A 122 -6.425 -13.344 -7.320 1.00 0.00 C ATOM 1495 C ASN A 122 -5.918 -13.641 -8.733 1.00 0.00 C ATOM 1496 O ASN A 122 -4.864 -14.260 -8.887 1.00 0.00 O ATOM 1497 CB ASN A 122 -6.678 -11.841 -7.128 1.00 0.00 C ATOM 1498 CG ASN A 122 -7.972 -11.367 -7.772 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -7.991 -10.962 -8.934 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -9.065 -11.425 -7.025 1.00 0.00 N ATOM 0 H ASN A 122 -4.580 -13.290 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 122 -7.373 -13.860 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.706 -11.617 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.843 -11.281 -7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -9.962 -11.128 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -9.009 -11.767 -6.066 1.00 0.00 H new ATOM 1507 N ASP A 123 -6.657 -13.210 -9.749 1.00 0.00 N ATOM 1508 CA ASP A 123 -6.294 -13.481 -11.143 1.00 0.00 C ATOM 1509 C ASP A 123 -4.927 -12.896 -11.476 1.00 0.00 C ATOM 1510 O ASP A 123 -4.001 -13.620 -11.851 1.00 0.00 O ATOM 1511 CB ASP A 123 -7.350 -12.906 -12.087 1.00 0.00 C ATOM 1512 CG ASP A 123 -7.045 -13.209 -13.539 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -7.319 -14.346 -13.982 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -6.533 -12.319 -14.243 1.00 0.00 O ATOM 0 H ASP A 123 -7.515 -12.669 -9.637 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.247 -14.562 -11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.327 -13.316 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.410 -11.827 -11.948 1.00 0.00 H new ATOM 1519 N MET A 124 -4.812 -11.588 -11.337 1.00 0.00 N ATOM 1520 CA MET A 124 -3.543 -10.899 -11.519 1.00 0.00 C ATOM 1521 C MET A 124 -3.504 -9.693 -10.593 1.00 0.00 C ATOM 1522 O MET A 124 -4.553 -9.195 -10.182 1.00 0.00 O ATOM 1523 CB MET A 124 -3.343 -10.466 -12.979 1.00 0.00 C ATOM 1524 CG MET A 124 -4.298 -9.382 -13.449 1.00 0.00 C ATOM 1525 SD MET A 124 -3.879 -8.746 -15.087 1.00 0.00 S ATOM 1526 CE MET A 124 -4.093 -10.216 -16.090 1.00 0.00 C ATOM 0 H MET A 124 -5.590 -10.974 -11.096 1.00 0.00 H new ATOM 0 HA MET A 124 -2.730 -11.582 -11.273 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.320 -10.111 -13.103 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.458 -11.338 -13.623 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.313 -9.780 -13.467 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.290 -8.561 -12.732 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.116 -9.937 -17.144 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.263 -10.901 -15.914 1.00 0.00 H new ATOM 0 HE3 MET A 124 -5.030 -10.705 -15.824 1.00 0.00 H new ATOM 1536 N CYS A 125 -2.312 -9.226 -10.257 1.00 0.00 N ATOM 1537 CA CYS A 125 -2.178 -8.151 -9.287 1.00 0.00 C ATOM 1538 C CYS A 125 -0.746 -7.632 -9.260 1.00 0.00 C ATOM 1539 O CYS A 125 0.204 -8.397 -9.402 1.00 0.00 O ATOM 1540 CB CYS A 125 -2.598 -8.649 -7.904 1.00 0.00 C ATOM 1541 SG CYS A 125 -2.645 -7.357 -6.627 1.00 0.00 S ATOM 0 H CYS A 125 -1.431 -9.571 -10.638 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.830 -7.327 -9.577 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.585 -9.105 -7.979 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -1.908 -9.432 -7.587 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.589 -6.333 -9.074 1.00 0.00 N ATOM 1547 CA HIS A 126 0.728 -5.716 -9.145 1.00 0.00 C ATOM 1548 C HIS A 126 1.112 -5.117 -7.801 1.00 0.00 C ATOM 1549 O HIS A 126 0.265 -4.948 -6.925 1.00 0.00 O ATOM 1550 CB HIS A 126 0.747 -4.636 -10.232 1.00 0.00 C ATOM 1551 CG HIS A 126 0.460 -5.161 -11.608 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.439 -5.635 -12.459 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.709 -5.287 -12.279 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.884 -6.026 -13.591 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.417 -5.826 -13.506 1.00 0.00 N ATOM 0 H HIS A 126 -1.352 -5.686 -8.874 1.00 0.00 H new ATOM 0 HA HIS A 126 1.457 -6.485 -9.399 1.00 0.00 H new ATOM 0 HB2 HIS A 126 0.012 -3.870 -9.984 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.723 -4.152 -10.234 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.689 -5.014 -11.916 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.406 -6.439 -14.441 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.097 -6.038 -14.236 1.00 0.00 H new ATOM 1563 N SER A 127 2.394 -4.809 -7.641 1.00 0.00 N ATOM 1564 CA SER A 127 2.890 -4.197 -6.418 1.00 0.00 C ATOM 1565 C SER A 127 2.318 -2.791 -6.263 1.00 0.00 C ATOM 1566 O SER A 127 2.489 -1.945 -7.151 1.00 0.00 O ATOM 1567 CB SER A 127 4.418 -4.130 -6.461 1.00 0.00 C ATOM 1568 OG SER A 127 4.981 -5.378 -6.844 1.00 0.00 O ATOM 0 H SER A 127 3.110 -4.975 -8.348 1.00 0.00 H new ATOM 0 HA SER A 127 2.576 -4.801 -5.567 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.730 -3.357 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.799 -3.843 -5.481 1.00 0.00 H new ATOM 0 HG SER A 127 5.870 -5.472 -6.443 1.00 0.00 H new ATOM 1574 N LEU A 128 1.632 -2.544 -5.152 1.00 0.00 N ATOM 1575 CA LEU A 128 1.059 -1.232 -4.896 1.00 0.00 C ATOM 1576 C LEU A 128 2.158 -0.253 -4.513 1.00 0.00 C ATOM 1577 O LEU A 128 2.903 -0.483 -3.556 1.00 0.00 O ATOM 1578 CB LEU A 128 0.015 -1.300 -3.777 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.827 -0.033 -3.594 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.796 0.145 -4.753 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.581 -0.079 -2.276 1.00 0.00 C ATOM 0 H LEU A 128 1.461 -3.233 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 128 0.567 -0.890 -5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.655 -2.137 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.525 -1.517 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.152 0.823 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.383 1.051 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.237 0.227 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.463 -0.715 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.173 0.829 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.241 -0.946 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.870 -0.153 -1.453 1.00 0.00 H new ATOM 1593 N GLY A 129 2.260 0.824 -5.267 1.00 0.00 N ATOM 1594 CA GLY A 129 3.289 1.802 -5.026 1.00 0.00 C ATOM 1595 C GLY A 129 2.726 3.148 -4.644 1.00 0.00 C ATOM 1596 O GLY A 129 1.826 3.668 -5.308 1.00 0.00 O ATOM 0 H GLY A 129 1.641 1.039 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.945 1.447 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.902 1.908 -5.921 1.00 0.00 H new ATOM 1600 N LEU A 130 3.255 3.704 -3.571 1.00 0.00 N ATOM 1601 CA LEU A 130 2.867 5.024 -3.126 1.00 0.00 C ATOM 1602 C LEU A 130 4.003 5.996 -3.413 1.00 0.00 C ATOM 1603 O LEU A 130 5.147 5.762 -3.022 1.00 0.00 O ATOM 1604 CB LEU A 130 2.539 5.001 -1.633 1.00 0.00 C ATOM 1605 CG LEU A 130 2.020 6.320 -1.054 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.712 6.720 -1.726 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.834 6.198 0.450 1.00 0.00 C ATOM 0 H LEU A 130 3.961 3.255 -2.988 1.00 0.00 H new ATOM 0 HA LEU A 130 1.974 5.347 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.793 4.227 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.436 4.712 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 130 2.756 7.100 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.358 7.660 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.876 6.844 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.034 5.943 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.465 7.143 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.115 5.408 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.789 5.956 0.916 1.00 0.00 H new ATOM 1619 N THR A 131 3.695 7.057 -4.130 1.00 0.00 N ATOM 1620 CA THR A 131 4.698 8.035 -4.514 1.00 0.00 C ATOM 1621 C THR A 131 4.525 9.332 -3.722 1.00 0.00 C ATOM 1622 O THR A 131 3.719 10.182 -4.088 1.00 0.00 O ATOM 1623 CB THR A 131 4.605 8.328 -6.027 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.657 7.092 -6.756 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.732 9.239 -6.491 1.00 0.00 C ATOM 0 H THR A 131 2.753 7.267 -4.461 1.00 0.00 H new ATOM 0 HA THR A 131 5.681 7.620 -4.289 1.00 0.00 H new ATOM 0 HB THR A 131 3.660 8.838 -6.216 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.757 7.280 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.634 9.423 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.679 10.186 -5.953 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.691 8.762 -6.292 1.00 0.00 H new ATOM 1633 N CYS A 132 5.268 9.475 -2.634 1.00 0.00 N ATOM 1634 CA CYS A 132 5.193 10.687 -1.825 1.00 0.00 C ATOM 1635 C CYS A 132 6.346 11.625 -2.176 1.00 0.00 C ATOM 1636 O CYS A 132 7.481 11.186 -2.360 1.00 0.00 O ATOM 1637 CB CYS A 132 5.239 10.352 -0.331 1.00 0.00 C ATOM 1638 SG CYS A 132 4.031 9.093 0.207 1.00 0.00 S ATOM 0 H CYS A 132 5.925 8.774 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 132 4.245 11.180 -2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.241 10.004 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.068 11.266 0.238 1.00 0.00 H new ATOM 1643 N LEU A 133 6.045 12.914 -2.284 1.00 0.00 N ATOM 1644 CA LEU A 133 7.059 13.920 -2.595 1.00 0.00 C ATOM 1645 C LEU A 133 8.148 13.977 -1.527 1.00 0.00 C ATOM 1646 O LEU A 133 7.869 14.275 -0.364 1.00 0.00 O ATOM 1647 CB LEU A 133 6.413 15.302 -2.722 1.00 0.00 C ATOM 1648 CG LEU A 133 5.825 15.641 -4.092 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.929 16.867 -3.994 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.943 15.883 -5.096 1.00 0.00 C ATOM 0 H LEU A 133 5.105 13.290 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 133 7.518 13.633 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.620 15.381 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.160 16.055 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 133 5.224 14.798 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.518 17.096 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.115 16.668 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.512 17.716 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 133 6.513 16.124 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.562 16.714 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.555 14.985 -5.182 1.00 0.00 H new ATOM 1662 N GLU A 134 9.377 13.675 -1.919 1.00 0.00 N ATOM 1663 CA GLU A 134 10.530 13.882 -1.051 1.00 0.00 C ATOM 1664 C GLU A 134 11.258 15.150 -1.465 1.00 0.00 C ATOM 1665 O GLU A 134 12.013 15.104 -2.457 1.00 0.00 O ATOM 1666 CB GLU A 134 11.497 12.696 -1.098 1.00 0.00 C ATOM 1667 CG GLU A 134 10.932 11.404 -0.536 1.00 0.00 C ATOM 1668 CD GLU A 134 11.986 10.320 -0.407 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.202 9.573 -1.379 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.604 10.213 0.675 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.058 16.191 -0.811 1.00 0.00 O ATOM 0 H GLU A 134 9.603 13.285 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 134 10.166 13.976 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.796 12.528 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.399 12.956 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.493 11.598 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.128 11.051 -1.182 1.00 0.00 H new