USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 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: B 55 THR OG1 : rot -61:sc= 0.901 USER MOD Set 1.2: B 57 SER OG : rot -84:sc= 1.1 USER MOD Set 2.1: A 79 GLN : amide:sc= -0.788 K(o=-1.9,f=-6.6!) USER MOD Set 2.2: B 49 GLN : amide:sc= -1.14! K(o=-1.9!,f=-1.3) USER MOD Set 3.1: B 7 THR OG1 : rot 144:sc= -0.0708 USER MOD Set 3.2: B 9 THR OG1 : rot -92:sc= 0.233 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00687 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.79 K(o=-1.8,f=-8.6!) USER MOD Single : A 71 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.48) USER MOD Single : A 72 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.27) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 76:sc= 1.1 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.995 USER MOD Single : A 96 GLN : amide:sc= 0.255 K(o=0.25,f=-0.32) USER MOD Single : B 1 MET CE :methyl 162:sc= -0.121 (180deg=-0.272) USER MOD Single : B 1 MET N :NH3+ -179:sc= 1.25 (180deg=1.25) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.12) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0577 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 1.21 K(o=1.2,f=-1.5!) USER MOD Single : B 27 LYS NZ :NH3+ 140:sc= 1.23 (180deg=0.878) USER MOD Single : B 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0169) USER MOD Single : B 31 GLN : amide:sc= -0.34 K(o=-0.34,f=-2!) USER MOD Single : B 33 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.17) USER MOD Single : B 40 GLN : amide:sc= -2.24 K(o=-2.2,f=-0.78) USER MOD Single : B 41 GLN : amide:sc= -0.199! C(o=-0.2!,f=-7.4!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 TYR OH : rot -39:sc= 1.06 USER MOD Single : B 60 ASN : amide:sc= -0.0553 X(o=-0.055,f=-0.08) USER MOD Single : B 62 GLN : amide:sc= -0.822 K(o=-0.82,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 159:sc= 1.12 (180deg=0.329!) USER MOD Single : B 65 SER OG : rot 124:sc= 1.09 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= 0.947 K(o=0.95,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 64 -21.478 12.003 -1.152 1.00 11.42 N ATOM 9 CA SER A 64 -21.714 10.574 -1.012 1.00 10.21 C ATOM 10 C SER A 64 -21.680 10.193 0.461 1.00 9.88 C ATOM 11 O SER A 64 -21.050 10.877 1.268 1.00 10.50 O ATOM 12 CB SER A 64 -20.667 9.767 -1.792 1.00 9.77 C ATOM 13 OG SER A 64 -20.848 8.371 -1.606 1.00 9.97 O ATOM 0 HA SER A 64 -22.696 10.341 -1.424 1.00 10.21 H new ATOM 0 HB2 SER A 64 -20.737 10.007 -2.853 1.00 9.77 H new ATOM 0 HB3 SER A 64 -19.667 10.053 -1.465 1.00 9.77 H new ATOM 0 HG SER A 64 -20.168 7.882 -2.116 1.00 9.97 H new ATOM 19 N GLN A 65 -22.333 9.092 0.801 1.00 9.07 N ATOM 20 CA GLN A 65 -22.390 8.619 2.179 1.00 8.94 C ATOM 21 C GLN A 65 -21.029 8.115 2.652 1.00 8.54 C ATOM 22 O GLN A 65 -20.800 7.946 3.852 1.00 9.04 O ATOM 23 CB GLN A 65 -23.428 7.509 2.299 1.00 8.41 C ATOM 24 CG GLN A 65 -24.810 7.927 1.829 1.00 8.81 C ATOM 25 CD GLN A 65 -25.810 6.793 1.875 1.00 8.35 C ATOM 26 OE1 GLN A 65 -26.025 6.094 0.885 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.426 6.605 3.024 1.00 8.68 N ATOM 0 H GLN A 65 -22.835 8.504 0.136 1.00 9.07 H new ATOM 0 HA GLN A 65 -22.675 9.457 2.815 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.099 6.648 1.717 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -23.487 7.187 3.339 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -25.168 8.747 2.451 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -24.743 8.306 0.809 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.217 7.208 3.819 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -27.112 5.856 3.118 1.00 8.68 H new ATOM 36 N TRP A 66 -20.133 7.865 1.707 1.00 7.75 N ATOM 37 CA TRP A 66 -18.800 7.383 2.036 1.00 7.29 C ATOM 38 C TRP A 66 -17.733 8.361 1.558 1.00 7.94 C ATOM 39 O TRP A 66 -16.544 8.065 1.632 1.00 7.67 O ATOM 40 CB TRP A 66 -18.551 6.013 1.399 1.00 5.95 C ATOM 41 CG TRP A 66 -19.517 4.955 1.832 1.00 5.44 C ATOM 42 CD1 TRP A 66 -19.479 4.229 2.989 1.00 5.69 C ATOM 43 CD2 TRP A 66 -20.663 4.495 1.107 1.00 4.95 C ATOM 44 NE1 TRP A 66 -20.529 3.345 3.023 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.269 3.488 1.881 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.234 4.833 -0.126 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.418 2.825 1.469 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.377 4.172 -0.533 1.00 4.46 C ATOM 49 CH2 TRP A 66 -22.955 3.174 0.261 1.00 4.35 C ATOM 0 H TRP A 66 -20.305 7.988 0.709 1.00 7.75 H new ATOM 0 HA TRP A 66 -18.739 7.294 3.121 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -18.600 6.114 0.315 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -17.539 5.689 1.643 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -18.733 4.335 3.763 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -20.726 2.688 3.778 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -20.789 5.596 -0.747 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -22.872 2.060 2.082 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.832 4.429 -1.478 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -23.844 2.669 -0.088 1.00 4.35 H new ATOM 60 N GLN A 67 -18.159 9.532 1.088 1.00 8.91 N ATOM 61 CA GLN A 67 -17.226 10.539 0.573 1.00 9.79 C ATOM 62 C GLN A 67 -16.162 10.938 1.609 1.00 10.34 C ATOM 63 O GLN A 67 -14.970 10.933 1.291 1.00 10.35 O ATOM 64 CB GLN A 67 -17.968 11.779 0.066 1.00 10.87 C ATOM 65 CG GLN A 67 -17.118 12.660 -0.837 1.00 11.49 C ATOM 66 CD GLN A 67 -17.947 13.622 -1.663 1.00 12.17 C ATOM 67 OE1 GLN A 67 -18.267 14.724 -1.219 1.00 12.51 O ATOM 68 NE2 GLN A 67 -18.295 13.216 -2.875 1.00 12.54 N ATOM 0 H GLN A 67 -19.140 9.809 1.052 1.00 8.91 H new ATOM 0 HA GLN A 67 -16.707 10.076 -0.267 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -18.858 11.464 -0.478 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -18.307 12.366 0.920 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -16.413 13.225 -0.227 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -16.529 12.029 -1.503 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -18.009 12.294 -3.206 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -18.849 13.825 -3.477 1.00 12.54 H new ATOM 77 N PRO A 68 -16.546 11.284 2.863 1.00 10.91 N ATOM 78 CA PRO A 68 -15.568 11.664 3.889 1.00 11.55 C ATOM 79 C PRO A 68 -14.635 10.505 4.228 1.00 10.63 C ATOM 80 O PRO A 68 -13.486 10.706 4.625 1.00 10.96 O ATOM 81 CB PRO A 68 -16.423 12.038 5.107 1.00 12.27 C ATOM 82 CG PRO A 68 -17.790 12.265 4.566 1.00 12.32 C ATOM 83 CD PRO A 68 -17.922 11.343 3.390 1.00 11.14 C ATOM 0 HA PRO A 68 -14.924 12.478 3.556 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -16.421 11.241 5.850 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -16.040 12.933 5.598 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -18.549 12.050 5.318 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -17.924 13.304 4.265 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -18.284 10.359 3.687 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -18.622 11.730 2.650 1.00 11.14 H new ATOM 91 N GLN A 69 -15.138 9.290 4.059 1.00 9.49 N ATOM 92 CA GLN A 69 -14.362 8.090 4.334 1.00 8.55 C ATOM 93 C GLN A 69 -13.340 7.868 3.224 1.00 8.02 C ATOM 94 O GLN A 69 -12.225 7.410 3.473 1.00 7.78 O ATOM 95 CB GLN A 69 -15.286 6.873 4.465 1.00 7.60 C ATOM 96 CG GLN A 69 -16.098 6.847 5.756 1.00 8.24 C ATOM 97 CD GLN A 69 -17.184 7.905 5.797 1.00 9.20 C ATOM 98 OE1 GLN A 69 -17.727 8.299 4.766 1.00 9.45 O ATOM 99 NE2 GLN A 69 -17.505 8.375 6.989 1.00 9.96 N ATOM 0 H GLN A 69 -16.087 9.109 3.730 1.00 9.49 H new ATOM 0 HA GLN A 69 -13.833 8.220 5.278 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -15.970 6.856 3.617 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -14.685 5.965 4.407 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -16.553 5.863 5.872 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -15.427 6.990 6.603 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -17.031 8.022 7.821 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -18.227 9.090 7.078 1.00 9.96 H new ATOM 108 N LEU A 70 -13.728 8.210 1.998 1.00 8.02 N ATOM 109 CA LEU A 70 -12.848 8.060 0.843 1.00 7.89 C ATOM 110 C LEU A 70 -11.626 8.961 0.980 1.00 8.90 C ATOM 111 O LEU A 70 -10.511 8.560 0.654 1.00 8.74 O ATOM 112 CB LEU A 70 -13.582 8.400 -0.459 1.00 8.18 C ATOM 113 CG LEU A 70 -14.860 7.603 -0.728 1.00 7.26 C ATOM 114 CD1 LEU A 70 -15.469 8.009 -2.060 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.585 6.107 -0.698 1.00 6.12 C ATOM 0 H LEU A 70 -14.647 8.593 1.779 1.00 8.02 H new ATOM 0 HA LEU A 70 -12.529 7.018 0.807 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -13.833 9.461 -0.447 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -12.897 8.244 -1.292 1.00 8.18 H new ATOM 0 HG LEU A 70 -15.575 7.830 0.063 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -16.377 7.432 -2.236 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -15.712 9.071 -2.040 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -14.755 7.815 -2.861 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -15.509 5.563 -0.892 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -13.850 5.857 -1.463 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -14.199 5.828 0.282 1.00 6.12 H new ATOM 127 N GLN A 71 -11.848 10.174 1.473 1.00 9.99 N ATOM 128 CA GLN A 71 -10.772 11.142 1.654 1.00 11.06 C ATOM 129 C GLN A 71 -9.709 10.607 2.606 1.00 10.72 C ATOM 130 O GLN A 71 -8.512 10.752 2.360 1.00 11.09 O ATOM 131 CB GLN A 71 -11.333 12.463 2.179 1.00 12.24 C ATOM 132 CG GLN A 71 -12.242 13.169 1.186 1.00 13.13 C ATOM 133 CD GLN A 71 -11.526 13.522 -0.104 1.00 13.82 C ATOM 134 OE1 GLN A 71 -11.462 12.718 -1.034 1.00 14.10 O ATOM 135 NE2 GLN A 71 -10.995 14.730 -0.177 1.00 14.24 N ATOM 0 H GLN A 71 -12.768 10.512 1.756 1.00 9.99 H new ATOM 0 HA GLN A 71 -10.304 11.315 0.685 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -11.888 12.274 3.098 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -10.505 13.124 2.437 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -13.096 12.530 0.961 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -12.635 14.078 1.641 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -11.069 15.368 0.615 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -10.511 15.024 -1.026 1.00 14.24 H new ATOM 144 N GLN A 72 -10.153 9.971 3.684 1.00 10.10 N ATOM 145 CA GLN A 72 -9.238 9.407 4.668 1.00 9.84 C ATOM 146 C GLN A 72 -8.396 8.302 4.043 1.00 8.80 C ATOM 147 O GLN A 72 -7.222 8.131 4.380 1.00 8.95 O ATOM 148 CB GLN A 72 -10.011 8.861 5.866 1.00 9.58 C ATOM 149 CG GLN A 72 -10.534 9.938 6.801 1.00 10.51 C ATOM 150 CD GLN A 72 -9.425 10.786 7.394 1.00 11.48 C ATOM 151 OE1 GLN A 72 -8.819 10.418 8.399 1.00 11.74 O ATOM 152 NE2 GLN A 72 -9.168 11.936 6.790 1.00 12.15 N ATOM 0 H GLN A 72 -11.141 9.833 3.898 1.00 10.10 H new ATOM 0 HA GLN A 72 -8.575 10.201 5.011 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -10.851 8.268 5.505 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -9.364 8.188 6.428 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -11.226 10.581 6.257 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -11.099 9.471 7.607 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -9.694 12.204 5.958 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -8.444 12.554 7.157 1.00 12.15 H new ATOM 161 N LEU A 73 -9.000 7.562 3.125 1.00 7.83 N ATOM 162 CA LEU A 73 -8.312 6.475 2.449 1.00 6.88 C ATOM 163 C LEU A 73 -7.363 7.009 1.381 1.00 7.64 C ATOM 164 O LEU A 73 -6.222 6.563 1.281 1.00 7.45 O ATOM 165 CB LEU A 73 -9.317 5.504 1.831 1.00 5.88 C ATOM 166 CG LEU A 73 -10.054 4.613 2.834 1.00 5.07 C ATOM 167 CD1 LEU A 73 -10.870 3.558 2.110 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.076 3.958 3.799 1.00 4.47 C ATOM 0 H LEU A 73 -9.968 7.696 2.831 1.00 7.83 H new ATOM 0 HA LEU A 73 -7.721 5.938 3.191 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -10.053 6.076 1.267 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -8.793 4.867 1.118 1.00 5.88 H new ATOM 0 HG LEU A 73 -10.732 5.242 3.411 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -11.387 2.934 2.839 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -11.602 4.044 1.464 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -10.208 2.937 1.506 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -9.624 3.330 4.502 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -8.369 3.345 3.240 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -8.534 4.729 4.347 1.00 4.47 H new ATOM 180 N ARG A 74 -7.828 7.972 0.594 1.00 8.61 N ATOM 181 CA ARG A 74 -7.003 8.563 -0.456 1.00 9.59 C ATOM 182 C ARG A 74 -5.761 9.206 0.150 1.00 10.26 C ATOM 183 O ARG A 74 -4.669 9.128 -0.414 1.00 10.62 O ATOM 184 CB ARG A 74 -7.796 9.600 -1.260 1.00 10.58 C ATOM 185 CG ARG A 74 -8.924 9.007 -2.093 1.00 10.33 C ATOM 186 CD ARG A 74 -9.472 10.016 -3.093 1.00 11.09 C ATOM 187 NE ARG A 74 -8.510 10.318 -4.155 1.00 11.57 N ATOM 188 CZ ARG A 74 -8.836 10.487 -5.439 1.00 12.12 C ATOM 189 NH1 ARG A 74 -10.106 10.428 -5.826 1.00 12.26 N ATOM 190 NH2 ARG A 74 -7.886 10.724 -6.336 1.00 12.66 N ATOM 0 H ARG A 74 -8.769 8.360 0.661 1.00 8.61 H new ATOM 0 HA ARG A 74 -6.696 7.768 -1.135 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -8.214 10.336 -0.573 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -7.112 10.133 -1.920 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -8.561 8.127 -2.625 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -9.726 8.673 -1.435 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -10.389 9.626 -3.535 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -9.736 10.936 -2.571 1.00 11.09 H new ATOM 0 HE ARG A 74 -7.527 10.405 -3.897 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -10.840 10.253 -5.140 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -10.346 10.558 -6.809 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -6.910 10.777 -6.044 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -8.132 10.853 -7.317 1.00 12.66 H new ATOM 204 N ASP A 75 -5.932 9.820 1.316 1.00 10.54 N ATOM 205 CA ASP A 75 -4.831 10.470 2.015 1.00 11.27 C ATOM 206 C ASP A 75 -3.787 9.454 2.468 1.00 10.44 C ATOM 207 O ASP A 75 -2.583 9.690 2.342 1.00 10.88 O ATOM 208 CB ASP A 75 -5.351 11.242 3.228 1.00 11.97 C ATOM 209 CG ASP A 75 -4.232 11.843 4.057 1.00 12.96 C ATOM 210 OD1 ASP A 75 -3.795 12.967 3.742 1.00 13.34 O ATOM 211 OD2 ASP A 75 -3.782 11.197 5.028 1.00 13.39 O ATOM 0 H ASP A 75 -6.829 9.881 1.799 1.00 10.54 H new ATOM 0 HA ASP A 75 -4.361 11.163 1.318 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -6.016 12.037 2.891 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -5.944 10.574 3.853 1.00 11.97 H new ATOM 216 N MET A 76 -4.256 8.323 2.985 1.00 9.25 N ATOM 217 CA MET A 76 -3.360 7.281 3.472 1.00 8.38 C ATOM 218 C MET A 76 -2.658 6.568 2.317 1.00 8.05 C ATOM 219 O MET A 76 -1.582 5.998 2.497 1.00 7.84 O ATOM 220 CB MET A 76 -4.111 6.277 4.364 1.00 7.29 C ATOM 221 CG MET A 76 -4.926 5.239 3.606 1.00 7.05 C ATOM 222 SD MET A 76 -4.043 3.683 3.383 1.00 6.11 S ATOM 223 CE MET A 76 -4.280 2.925 4.991 1.00 6.19 C ATOM 0 H MET A 76 -5.248 8.105 3.077 1.00 9.25 H new ATOM 0 HA MET A 76 -2.594 7.763 4.080 1.00 8.38 H new ATOM 0 HB2 MET A 76 -3.388 5.761 4.995 1.00 7.29 H new ATOM 0 HB3 MET A 76 -4.777 6.829 5.027 1.00 7.29 H new ATOM 0 HG2 MET A 76 -5.855 5.050 4.144 1.00 7.05 H new ATOM 0 HG3 MET A 76 -5.198 5.640 2.630 1.00 7.05 H new ATOM 0 HE1 MET A 76 -3.789 1.952 5.010 1.00 6.19 H new ATOM 0 HE2 MET A 76 -3.849 3.564 5.762 1.00 6.19 H new ATOM 0 HE3 MET A 76 -5.346 2.798 5.180 1.00 6.19 H new ATOM 233 N GLY A 77 -3.254 6.597 1.130 1.00 8.19 N ATOM 234 CA GLY A 77 -2.619 5.956 -0.004 1.00 8.26 C ATOM 235 C GLY A 77 -3.581 5.297 -0.972 1.00 7.78 C ATOM 236 O GLY A 77 -3.188 4.923 -2.079 1.00 8.03 O ATOM 0 H GLY A 77 -4.150 7.045 0.935 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -2.032 6.699 -0.544 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -1.921 5.204 0.364 1.00 8.26 H new ATOM 240 N ILE A 78 -4.834 5.149 -0.584 1.00 7.25 N ATOM 241 CA ILE A 78 -5.813 4.521 -1.462 1.00 6.87 C ATOM 242 C ILE A 78 -6.369 5.543 -2.450 1.00 7.92 C ATOM 243 O ILE A 78 -7.510 5.983 -2.337 1.00 8.11 O ATOM 244 CB ILE A 78 -6.980 3.862 -0.689 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.490 3.229 0.621 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.660 2.812 -1.562 1.00 5.39 C ATOM 247 CD1 ILE A 78 -5.572 2.040 0.426 1.00 4.22 C ATOM 0 H ILE A 78 -5.198 5.449 0.320 1.00 7.25 H new ATOM 0 HA ILE A 78 -5.288 3.729 -1.996 1.00 6.87 H new ATOM 0 HB ILE A 78 -7.702 4.638 -0.437 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -5.967 3.986 1.205 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.354 2.915 1.206 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.480 2.354 -1.009 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -8.050 3.285 -2.463 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.937 2.045 -1.839 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -5.270 1.650 1.398 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -6.096 1.263 -0.130 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -4.688 2.350 -0.131 1.00 4.22 H new ATOM 259 N GLN A 79 -5.529 5.925 -3.408 1.00 8.74 N ATOM 260 CA GLN A 79 -5.899 6.890 -4.441 1.00 9.84 C ATOM 261 C GLN A 79 -7.105 6.403 -5.237 1.00 9.63 C ATOM 262 O GLN A 79 -7.888 7.199 -5.750 1.00 10.41 O ATOM 263 CB GLN A 79 -4.719 7.121 -5.388 1.00 10.93 C ATOM 264 CG GLN A 79 -3.428 7.499 -4.679 1.00 11.98 C ATOM 265 CD GLN A 79 -2.199 7.067 -5.453 1.00 12.64 C ATOM 266 OE1 GLN A 79 -1.696 5.961 -5.266 1.00 12.98 O ATOM 267 NE2 GLN A 79 -1.718 7.922 -6.341 1.00 12.99 N ATOM 0 H GLN A 79 -4.574 5.576 -3.491 1.00 8.74 H new ATOM 0 HA GLN A 79 -6.163 7.827 -3.951 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -4.551 6.216 -5.971 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -4.980 7.910 -6.093 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -3.400 8.578 -4.531 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -3.412 7.041 -3.690 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -2.164 8.831 -6.467 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -0.902 7.672 -6.899 1.00 12.99 H new ATOM 276 N ASP A 80 -7.250 5.088 -5.335 1.00 8.64 N ATOM 277 CA ASP A 80 -8.360 4.495 -6.065 1.00 8.48 C ATOM 278 C ASP A 80 -9.648 4.617 -5.260 1.00 7.69 C ATOM 279 O ASP A 80 -9.973 3.748 -4.447 1.00 6.59 O ATOM 280 CB ASP A 80 -8.079 3.025 -6.376 1.00 8.02 C ATOM 281 CG ASP A 80 -7.056 2.850 -7.477 1.00 9.04 C ATOM 282 OD1 ASP A 80 -7.450 2.811 -8.660 1.00 9.63 O ATOM 283 OD2 ASP A 80 -5.853 2.738 -7.166 1.00 9.40 O ATOM 0 H ASP A 80 -6.611 4.412 -4.917 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.475 5.034 -7.005 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.725 2.527 -5.473 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -9.008 2.535 -6.667 1.00 8.02 H new ATOM 288 N ASP A 81 -10.372 5.706 -5.484 1.00 8.34 N ATOM 289 CA ASP A 81 -11.626 5.958 -4.781 1.00 7.85 C ATOM 290 C ASP A 81 -12.673 4.908 -5.139 1.00 7.35 C ATOM 291 O ASP A 81 -13.539 4.592 -4.327 1.00 6.42 O ATOM 292 CB ASP A 81 -12.147 7.372 -5.084 1.00 8.97 C ATOM 293 CG ASP A 81 -12.850 7.480 -6.423 1.00 9.79 C ATOM 294 OD1 ASP A 81 -12.158 7.538 -7.462 1.00 10.41 O ATOM 295 OD2 ASP A 81 -14.097 7.518 -6.445 1.00 9.98 O ATOM 0 H ASP A 81 -10.112 6.433 -6.150 1.00 8.34 H new ATOM 0 HA ASP A 81 -11.431 5.889 -3.711 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -12.836 7.674 -4.295 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -11.311 8.071 -5.063 1.00 8.97 H new ATOM 300 N GLU A 82 -12.576 4.354 -6.344 1.00 8.08 N ATOM 301 CA GLU A 82 -13.513 3.327 -6.785 1.00 7.93 C ATOM 302 C GLU A 82 -13.366 2.082 -5.920 1.00 6.97 C ATOM 303 O GLU A 82 -14.354 1.533 -5.427 1.00 6.36 O ATOM 304 CB GLU A 82 -13.287 2.972 -8.255 1.00 9.21 C ATOM 305 CG GLU A 82 -14.242 1.905 -8.765 1.00 9.80 C ATOM 306 CD GLU A 82 -13.908 1.434 -10.162 1.00 10.67 C ATOM 307 OE1 GLU A 82 -12.787 0.933 -10.372 1.00 10.93 O ATOM 308 OE2 GLU A 82 -14.760 1.576 -11.066 1.00 11.24 O ATOM 0 H GLU A 82 -11.861 4.598 -7.030 1.00 8.08 H new ATOM 0 HA GLU A 82 -14.524 3.721 -6.681 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -13.399 3.871 -8.861 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -12.262 2.626 -8.385 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -14.223 1.053 -8.086 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -15.258 2.299 -8.753 1.00 9.80 H new ATOM 315 N LEU A 83 -12.123 1.650 -5.729 1.00 6.96 N ATOM 316 CA LEU A 83 -11.838 0.482 -4.907 1.00 6.31 C ATOM 317 C LEU A 83 -12.283 0.762 -3.479 1.00 4.93 C ATOM 318 O LEU A 83 -12.853 -0.099 -2.809 1.00 4.43 O ATOM 319 CB LEU A 83 -10.339 0.152 -4.939 1.00 6.75 C ATOM 320 CG LEU A 83 -9.979 -1.333 -5.092 1.00 7.08 C ATOM 321 CD1 LEU A 83 -10.551 -2.159 -3.947 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.458 -1.867 -6.432 1.00 7.88 C ATOM 0 H LEU A 83 -11.298 2.093 -6.133 1.00 6.96 H new ATOM 0 HA LEU A 83 -12.382 -0.377 -5.300 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.884 0.702 -5.762 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.886 0.522 -4.019 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.893 -1.419 -5.056 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -10.280 -3.206 -4.083 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -10.146 -1.799 -3.001 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -11.637 -2.064 -3.937 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -10.193 -2.921 -6.520 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.540 -1.758 -6.501 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -9.985 -1.305 -7.238 1.00 7.88 H new ATOM 334 N SER A 84 -12.031 1.991 -3.038 1.00 4.61 N ATOM 335 CA SER A 84 -12.408 2.424 -1.703 1.00 3.54 C ATOM 336 C SER A 84 -13.921 2.333 -1.520 1.00 3.20 C ATOM 337 O SER A 84 -14.400 1.744 -0.557 1.00 2.40 O ATOM 338 CB SER A 84 -11.935 3.861 -1.466 1.00 4.04 C ATOM 339 OG SER A 84 -10.552 3.996 -1.736 1.00 4.41 O ATOM 0 H SER A 84 -11.563 2.707 -3.594 1.00 4.61 H new ATOM 0 HA SER A 84 -11.930 1.768 -0.975 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.500 4.542 -2.102 1.00 4.04 H new ATOM 0 HB3 SER A 84 -12.136 4.147 -0.434 1.00 4.04 H new ATOM 0 HG SER A 84 -10.408 4.012 -2.705 1.00 4.41 H new ATOM 345 N LEU A 85 -14.664 2.898 -2.470 1.00 4.01 N ATOM 346 CA LEU A 85 -16.121 2.883 -2.425 1.00 3.84 C ATOM 347 C LEU A 85 -16.638 1.449 -2.404 1.00 3.28 C ATOM 348 O LEU A 85 -17.483 1.102 -1.582 1.00 2.78 O ATOM 349 CB LEU A 85 -16.696 3.634 -3.633 1.00 4.96 C ATOM 350 CG LEU A 85 -18.066 4.303 -3.427 1.00 5.14 C ATOM 351 CD1 LEU A 85 -19.179 3.268 -3.337 1.00 4.60 C ATOM 352 CD2 LEU A 85 -18.056 5.174 -2.183 1.00 5.12 C ATOM 0 H LEU A 85 -14.276 3.374 -3.284 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.445 3.383 -1.512 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.981 4.401 -3.931 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.778 2.934 -4.464 1.00 4.96 H new ATOM 0 HG LEU A 85 -18.260 4.934 -4.295 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -20.134 3.773 -3.191 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -19.212 2.688 -4.259 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.989 2.602 -2.496 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -19.034 5.638 -2.056 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -17.829 4.560 -1.311 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.298 5.950 -2.288 1.00 5.12 H new ATOM 364 N ARG A 86 -16.110 0.620 -3.298 1.00 3.88 N ATOM 365 CA ARG A 86 -16.525 -0.778 -3.391 1.00 4.19 C ATOM 366 C ARG A 86 -16.278 -1.523 -2.079 1.00 3.70 C ATOM 367 O ARG A 86 -17.136 -2.281 -1.617 1.00 3.99 O ATOM 368 CB ARG A 86 -15.793 -1.474 -4.537 1.00 5.40 C ATOM 369 CG ARG A 86 -16.314 -1.091 -5.913 1.00 6.27 C ATOM 370 CD ARG A 86 -15.607 -1.870 -7.006 1.00 7.50 C ATOM 371 NE ARG A 86 -15.625 -3.307 -6.741 1.00 8.08 N ATOM 372 CZ ARG A 86 -14.728 -4.167 -7.215 1.00 9.13 C ATOM 373 NH1 ARG A 86 -13.750 -3.750 -8.010 1.00 9.71 N ATOM 374 NH2 ARG A 86 -14.816 -5.446 -6.893 1.00 9.73 N ATOM 0 H ARG A 86 -15.392 0.891 -3.970 1.00 3.88 H new ATOM 0 HA ARG A 86 -17.597 -0.794 -3.590 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -14.732 -1.232 -4.479 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.881 -2.553 -4.411 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -17.386 -1.280 -5.964 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -16.171 -0.023 -6.074 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -16.087 -1.670 -7.964 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -14.575 -1.528 -7.088 1.00 7.50 H new ATOM 0 HE ARG A 86 -16.374 -3.674 -6.154 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -13.683 -2.764 -8.261 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -13.066 -4.416 -8.369 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -15.569 -5.768 -6.284 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -14.131 -6.111 -7.253 1.00 9.73 H new ATOM 388 N ALA A 87 -15.116 -1.295 -1.477 1.00 3.29 N ATOM 389 CA ALA A 87 -14.766 -1.947 -0.221 1.00 3.24 C ATOM 390 C ALA A 87 -15.608 -1.396 0.926 1.00 2.92 C ATOM 391 O ALA A 87 -16.082 -2.150 1.778 1.00 3.77 O ATOM 392 CB ALA A 87 -13.282 -1.778 0.062 1.00 2.94 C ATOM 0 H ALA A 87 -14.401 -0.664 -1.838 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.979 -3.012 -0.309 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -13.033 -2.269 1.003 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.704 -2.227 -0.746 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -13.044 -0.717 0.133 1.00 2.94 H new ATOM 398 N LEU A 88 -15.791 -0.078 0.941 1.00 2.29 N ATOM 399 CA LEU A 88 -16.595 0.582 1.969 1.00 2.80 C ATOM 400 C LEU A 88 -18.031 0.083 1.898 1.00 3.31 C ATOM 401 O LEU A 88 -18.653 -0.216 2.914 1.00 4.23 O ATOM 402 CB LEU A 88 -16.569 2.104 1.774 1.00 2.96 C ATOM 403 CG LEU A 88 -15.612 2.885 2.683 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.082 2.842 4.125 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.195 2.347 2.572 1.00 3.12 C ATOM 0 H LEU A 88 -15.392 0.557 0.250 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.175 0.345 2.946 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.304 2.312 0.737 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -17.578 2.487 1.928 1.00 2.96 H new ATOM 0 HG LEU A 88 -15.610 3.923 2.351 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -15.388 3.403 4.751 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.075 3.286 4.197 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.121 1.807 4.464 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -13.537 2.918 3.226 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.180 1.298 2.868 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -13.851 2.438 1.542 1.00 3.12 H new ATOM 417 N GLN A 89 -18.534 -0.020 0.677 1.00 2.99 N ATOM 418 CA GLN A 89 -19.886 -0.486 0.423 1.00 3.54 C ATOM 419 C GLN A 89 -20.044 -1.939 0.860 1.00 4.52 C ATOM 420 O GLN A 89 -21.075 -2.326 1.410 1.00 5.29 O ATOM 421 CB GLN A 89 -20.196 -0.344 -1.066 1.00 3.40 C ATOM 422 CG GLN A 89 -21.621 -0.695 -1.449 1.00 3.28 C ATOM 423 CD GLN A 89 -21.813 -0.714 -2.950 1.00 3.90 C ATOM 424 OE1 GLN A 89 -22.151 0.302 -3.559 1.00 4.41 O ATOM 425 NE2 GLN A 89 -21.582 -1.862 -3.561 1.00 4.33 N ATOM 0 H GLN A 89 -18.013 0.218 -0.167 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.587 0.118 0.999 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -19.994 0.683 -1.370 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -19.515 -0.982 -1.628 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -21.878 -1.671 -1.038 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -22.305 0.028 -1.005 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -21.304 -2.681 -3.020 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -21.682 -1.930 -4.574 1.00 4.33 H new ATOM 434 N ALA A 90 -19.002 -2.732 0.635 1.00 4.72 N ATOM 435 CA ALA A 90 -19.015 -4.145 0.990 1.00 5.90 C ATOM 436 C ALA A 90 -19.043 -4.339 2.503 1.00 6.49 C ATOM 437 O ALA A 90 -19.562 -5.339 3.003 1.00 7.58 O ATOM 438 CB ALA A 90 -17.799 -4.841 0.397 1.00 6.16 C ATOM 0 H ALA A 90 -18.132 -2.417 0.205 1.00 4.72 H new ATOM 0 HA ALA A 90 -19.922 -4.587 0.578 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -17.816 -5.897 0.667 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -17.817 -4.744 -0.688 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -16.891 -4.382 0.787 1.00 6.16 H new ATOM 444 N THR A 91 -18.502 -3.373 3.227 1.00 5.96 N ATOM 445 CA THR A 91 -18.451 -3.450 4.677 1.00 6.79 C ATOM 446 C THR A 91 -19.480 -2.529 5.320 1.00 7.26 C ATOM 447 O THR A 91 -19.428 -2.263 6.524 1.00 8.28 O ATOM 448 CB THR A 91 -17.048 -3.086 5.189 1.00 6.34 C ATOM 449 OG1 THR A 91 -16.585 -1.899 4.530 1.00 5.23 O ATOM 450 CG2 THR A 91 -16.075 -4.227 4.935 1.00 6.30 C ATOM 0 H THR A 91 -18.092 -2.526 2.834 1.00 5.96 H new ATOM 0 HA THR A 91 -18.683 -4.478 4.956 1.00 6.79 H new ATOM 0 HB THR A 91 -17.104 -2.907 6.263 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.332 -2.114 3.608 1.00 5.23 H new ATOM 0 HG21 THR A 91 -15.087 -3.952 5.304 1.00 6.30 H new ATOM 0 HG22 THR A 91 -16.420 -5.121 5.454 1.00 6.30 H new ATOM 0 HG23 THR A 91 -16.020 -4.427 3.865 1.00 6.30 H new ATOM 458 N GLY A 92 -20.409 -2.035 4.509 1.00 6.62 N ATOM 459 CA GLY A 92 -21.438 -1.144 5.005 1.00 7.16 C ATOM 460 C GLY A 92 -20.951 0.287 5.109 1.00 7.11 C ATOM 461 O GLY A 92 -21.601 1.212 4.618 1.00 7.79 O ATOM 0 H GLY A 92 -20.466 -2.238 3.511 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.303 -1.185 4.343 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -21.771 -1.485 5.985 1.00 7.16 H new ATOM 465 N GLY A 93 -19.808 0.469 5.757 1.00 6.52 N ATOM 466 CA GLY A 93 -19.247 1.790 5.914 1.00 6.76 C ATOM 467 C GLY A 93 -18.139 1.826 6.945 1.00 7.35 C ATOM 468 O GLY A 93 -18.163 2.656 7.858 1.00 8.35 O ATOM 0 H GLY A 93 -19.259 -0.281 6.178 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -18.859 2.134 4.955 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.035 2.484 6.206 1.00 6.76 H new ATOM 472 N ASP A 94 -17.167 0.931 6.808 1.00 6.83 N ATOM 473 CA ASP A 94 -16.046 0.878 7.740 1.00 7.34 C ATOM 474 C ASP A 94 -14.727 0.996 6.994 1.00 6.34 C ATOM 475 O ASP A 94 -14.573 0.457 5.902 1.00 5.39 O ATOM 476 CB ASP A 94 -16.066 -0.408 8.566 1.00 8.06 C ATOM 477 CG ASP A 94 -15.102 -0.344 9.734 1.00 8.93 C ATOM 478 OD1 ASP A 94 -15.416 0.339 10.729 1.00 9.60 O ATOM 479 OD2 ASP A 94 -14.021 -0.962 9.663 1.00 9.06 O ATOM 0 H ASP A 94 -17.132 0.235 6.064 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.146 1.721 8.423 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.075 -0.585 8.937 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -15.808 -1.253 7.928 1.00 8.06 H new ATOM 484 N ILE A 95 -13.782 1.702 7.593 1.00 6.69 N ATOM 485 CA ILE A 95 -12.476 1.922 6.985 1.00 5.90 C ATOM 486 C ILE A 95 -11.584 0.683 7.066 1.00 5.73 C ATOM 487 O ILE A 95 -11.200 0.123 6.039 1.00 4.72 O ATOM 488 CB ILE A 95 -11.757 3.115 7.657 1.00 6.68 C ATOM 489 CG1 ILE A 95 -12.530 4.417 7.400 1.00 7.07 C ATOM 490 CG2 ILE A 95 -10.318 3.239 7.165 1.00 6.13 C ATOM 491 CD1 ILE A 95 -12.587 4.825 5.939 1.00 6.13 C ATOM 0 H ILE A 95 -13.895 2.137 8.509 1.00 6.69 H new ATOM 0 HA ILE A 95 -12.653 2.143 5.932 1.00 5.90 H new ATOM 0 HB ILE A 95 -11.728 2.932 8.731 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -13.547 4.303 7.774 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -12.068 5.221 7.973 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -9.838 4.086 7.655 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -9.772 2.326 7.402 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -10.314 3.394 6.086 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -13.150 5.753 5.842 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -11.575 4.973 5.563 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -13.077 4.042 5.361 1.00 6.13 H new ATOM 503 N GLN A 96 -11.278 0.242 8.284 1.00 6.84 N ATOM 504 CA GLN A 96 -10.398 -0.909 8.473 1.00 7.04 C ATOM 505 C GLN A 96 -10.984 -2.186 7.890 1.00 6.72 C ATOM 506 O GLN A 96 -10.280 -2.921 7.206 1.00 6.21 O ATOM 507 CB GLN A 96 -10.066 -1.118 9.948 1.00 8.47 C ATOM 508 CG GLN A 96 -8.840 -0.344 10.409 1.00 8.96 C ATOM 509 CD GLN A 96 -7.571 -0.716 9.652 1.00 9.42 C ATOM 510 OE1 GLN A 96 -6.697 0.124 9.440 1.00 9.63 O ATOM 511 NE2 GLN A 96 -7.449 -1.975 9.252 1.00 9.81 N ATOM 0 H GLN A 96 -11.623 0.660 9.148 1.00 6.84 H new ATOM 0 HA GLN A 96 -9.479 -0.684 7.931 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -10.923 -0.819 10.551 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -9.904 -2.181 10.129 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -9.027 0.723 10.289 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -8.685 -0.523 11.473 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -8.193 -2.646 9.444 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -6.611 -2.272 8.752 1.00 9.81 H new ATOM 520 N ALA A 97 -12.265 -2.445 8.145 1.00 7.19 N ATOM 521 CA ALA A 97 -12.907 -3.652 7.629 1.00 7.30 C ATOM 522 C ALA A 97 -12.803 -3.711 6.110 1.00 6.10 C ATOM 523 O ALA A 97 -12.620 -4.782 5.531 1.00 6.26 O ATOM 524 CB ALA A 97 -14.360 -3.726 8.063 1.00 8.11 C ATOM 0 H ALA A 97 -12.873 -1.843 8.700 1.00 7.19 H new ATOM 0 HA ALA A 97 -12.383 -4.512 8.046 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.813 -4.634 7.665 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -14.414 -3.741 9.152 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -14.897 -2.857 7.685 1.00 8.11 H new ATOM 530 N ALA A 98 -12.912 -2.551 5.474 1.00 5.11 N ATOM 531 CA ALA A 98 -12.815 -2.463 4.027 1.00 3.96 C ATOM 532 C ALA A 98 -11.416 -2.845 3.567 1.00 3.50 C ATOM 533 O ALA A 98 -11.246 -3.678 2.675 1.00 3.58 O ATOM 534 CB ALA A 98 -13.159 -1.059 3.559 1.00 3.13 C ATOM 0 H ALA A 98 -13.068 -1.658 5.941 1.00 5.11 H new ATOM 0 HA ALA A 98 -13.528 -3.160 3.588 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -13.082 -1.008 2.473 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -14.177 -0.813 3.862 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.465 -0.346 4.005 1.00 3.13 H new ATOM 540 N LEU A 99 -10.415 -2.250 4.207 1.00 3.43 N ATOM 541 CA LEU A 99 -9.020 -2.514 3.875 1.00 3.02 C ATOM 542 C LEU A 99 -8.657 -3.960 4.196 1.00 3.99 C ATOM 543 O LEU A 99 -7.886 -4.596 3.473 1.00 3.99 O ATOM 544 CB LEU A 99 -8.106 -1.560 4.647 1.00 3.22 C ATOM 545 CG LEU A 99 -8.423 -0.073 4.483 1.00 2.80 C ATOM 546 CD1 LEU A 99 -7.549 0.764 5.404 1.00 3.12 C ATOM 547 CD2 LEU A 99 -8.241 0.358 3.034 1.00 2.72 C ATOM 0 H LEU A 99 -10.545 -1.578 4.963 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.882 -2.351 2.806 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.159 -1.811 5.706 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -7.078 -1.732 4.329 1.00 3.22 H new ATOM 0 HG LEU A 99 -9.465 0.088 4.759 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -7.789 1.819 5.273 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -7.731 0.476 6.439 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -6.500 0.598 5.160 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -8.471 1.419 2.938 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -7.210 0.182 2.729 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -8.912 -0.218 2.396 1.00 2.72 H new ATOM 559 N GLU A 100 -9.224 -4.469 5.284 1.00 5.11 N ATOM 560 CA GLU A 100 -8.988 -5.839 5.718 1.00 6.25 C ATOM 561 C GLU A 100 -9.469 -6.829 4.661 1.00 6.58 C ATOM 562 O GLU A 100 -8.840 -7.865 4.436 1.00 7.26 O ATOM 563 CB GLU A 100 -9.691 -6.103 7.055 1.00 7.44 C ATOM 564 CG GLU A 100 -8.798 -5.873 8.263 1.00 7.73 C ATOM 565 CD GLU A 100 -9.515 -5.211 9.427 1.00 8.52 C ATOM 566 OE1 GLU A 100 -10.546 -5.747 9.889 1.00 8.97 O ATOM 567 OE2 GLU A 100 -9.028 -4.165 9.906 1.00 8.88 O ATOM 0 H GLU A 100 -9.858 -3.945 5.887 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.915 -5.976 5.854 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -10.566 -5.457 7.131 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -10.052 -7.131 7.070 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -8.392 -6.829 8.593 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -7.952 -5.253 7.967 1.00 7.73 H new ATOM 574 N LEU A 101 -10.580 -6.498 4.008 1.00 6.27 N ATOM 575 CA LEU A 101 -11.132 -7.352 2.966 1.00 6.77 C ATOM 576 C LEU A 101 -10.283 -7.276 1.705 1.00 6.45 C ATOM 577 O LEU A 101 -10.081 -8.280 1.026 1.00 7.40 O ATOM 578 CB LEU A 101 -12.580 -6.968 2.648 1.00 6.50 C ATOM 579 CG LEU A 101 -13.614 -7.384 3.699 1.00 7.42 C ATOM 580 CD1 LEU A 101 -15.019 -7.247 3.138 1.00 8.33 C ATOM 581 CD2 LEU A 101 -13.364 -8.811 4.169 1.00 8.03 C ATOM 0 H LEU A 101 -11.113 -5.646 4.183 1.00 6.27 H new ATOM 0 HA LEU A 101 -11.122 -8.377 3.336 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -12.632 -5.887 2.519 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -12.856 -7.416 1.693 1.00 6.50 H new ATOM 0 HG LEU A 101 -13.515 -6.722 4.559 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -15.744 -7.546 3.895 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -15.198 -6.210 2.854 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -15.125 -7.887 2.262 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.110 -9.084 4.915 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -13.433 -9.491 3.320 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -12.369 -8.880 4.609 1.00 8.03 H new ATOM 593 N ILE A 102 -9.779 -6.085 1.397 1.00 5.30 N ATOM 594 CA ILE A 102 -8.938 -5.897 0.216 1.00 5.26 C ATOM 595 C ILE A 102 -7.671 -6.742 0.333 1.00 5.93 C ATOM 596 O ILE A 102 -7.209 -7.330 -0.643 1.00 6.78 O ATOM 597 CB ILE A 102 -8.548 -4.412 0.015 1.00 4.06 C ATOM 598 CG1 ILE A 102 -9.800 -3.542 -0.122 1.00 3.48 C ATOM 599 CG2 ILE A 102 -7.660 -4.251 -1.213 1.00 4.62 C ATOM 600 CD1 ILE A 102 -9.508 -2.055 -0.162 1.00 2.57 C ATOM 0 H ILE A 102 -9.936 -5.239 1.944 1.00 5.30 H new ATOM 0 HA ILE A 102 -9.519 -6.215 -0.650 1.00 5.26 H new ATOM 0 HB ILE A 102 -7.990 -4.085 0.892 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -10.330 -3.824 -1.032 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -10.469 -3.749 0.713 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -7.397 -3.200 -1.337 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -6.752 -4.840 -1.085 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -8.195 -4.598 -2.097 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -10.443 -1.503 -0.260 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -9.006 -1.758 0.759 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.865 -1.833 -1.014 1.00 2.57 H new ATOM 612 N PHE A 103 -7.144 -6.822 1.552 1.00 5.72 N ATOM 613 CA PHE A 103 -5.935 -7.593 1.834 1.00 6.33 C ATOM 614 C PHE A 103 -6.138 -9.077 1.516 1.00 7.75 C ATOM 615 O PHE A 103 -5.199 -9.771 1.126 1.00 8.49 O ATOM 616 CB PHE A 103 -5.543 -7.418 3.310 1.00 5.96 C ATOM 617 CG PHE A 103 -4.227 -8.043 3.682 1.00 6.06 C ATOM 618 CD1 PHE A 103 -3.043 -7.344 3.520 1.00 6.20 C ATOM 619 CD2 PHE A 103 -4.176 -9.328 4.198 1.00 6.17 C ATOM 620 CE1 PHE A 103 -1.833 -7.913 3.870 1.00 6.41 C ATOM 621 CE2 PHE A 103 -2.970 -9.903 4.548 1.00 6.39 C ATOM 622 CZ PHE A 103 -1.795 -9.195 4.383 1.00 6.50 C ATOM 0 H PHE A 103 -7.540 -6.357 2.369 1.00 5.72 H new ATOM 0 HA PHE A 103 -5.133 -7.220 1.197 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -5.503 -6.353 3.539 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -6.325 -7.849 3.935 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -3.065 -6.343 3.116 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -5.091 -9.887 4.328 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.917 -7.355 3.742 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -2.945 -10.905 4.950 1.00 6.39 H new ATOM 0 HZ PHE A 103 -0.850 -9.642 4.654 1.00 6.50 H new ATOM 632 N ALA A 104 -7.366 -9.554 1.677 1.00 8.21 N ATOM 633 CA ALA A 104 -7.682 -10.952 1.419 1.00 9.59 C ATOM 634 C ALA A 104 -8.326 -11.133 0.049 1.00 10.06 C ATOM 635 O ALA A 104 -8.733 -12.238 -0.316 1.00 10.71 O ATOM 636 CB ALA A 104 -8.593 -11.490 2.511 1.00 10.13 C ATOM 0 H ALA A 104 -8.160 -8.992 1.985 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.750 -11.517 1.423 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -8.824 -12.536 2.310 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -8.092 -11.408 3.476 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.517 -10.912 2.532 1.00 10.13 H new ATOM 642 N GLY A 105 -8.406 -10.046 -0.707 1.00 9.88 N ATOM 643 CA GLY A 105 -9.005 -10.099 -2.027 1.00 10.43 C ATOM 644 C GLY A 105 -10.498 -10.357 -1.969 1.00 10.44 C ATOM 645 O GLY A 105 -11.029 -11.163 -2.732 1.00 11.29 O ATOM 0 H GLY A 105 -8.066 -9.126 -0.429 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -8.821 -9.158 -2.546 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -8.525 -10.884 -2.611 1.00 10.43 H new ATOM 649 N GLY A 106 -11.167 -9.689 -1.041 1.00 9.61 N ATOM 650 CA GLY A 106 -12.596 -9.853 -0.888 1.00 9.65 C ATOM 651 C GLY A 106 -12.936 -10.626 0.368 1.00 9.16 C ATOM 652 O GLY A 106 -12.044 -10.982 1.136 1.00 8.46 O ATOM 0 H GLY A 106 -10.741 -9.032 -0.387 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -13.074 -8.874 -0.854 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -12.998 -10.374 -1.757 1.00 9.65 H new ATOM 656 N ALA A 107 -14.218 -10.886 0.574 1.00 9.69 N ATOM 657 CA ALA A 107 -14.671 -11.622 1.746 1.00 9.44 C ATOM 658 C ALA A 107 -14.354 -13.105 1.602 1.00 10.28 C ATOM 659 O ALA A 107 -14.860 -13.766 0.693 1.00 11.13 O ATOM 660 CB ALA A 107 -16.164 -11.417 1.953 1.00 9.49 C ATOM 0 H ALA A 107 -14.966 -10.598 -0.057 1.00 9.69 H new ATOM 0 HA ALA A 107 -14.142 -11.241 2.619 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -16.489 -11.973 2.832 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -16.369 -10.356 2.098 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -16.705 -11.775 1.077 1.00 9.49 H new ATOM 666 N PRO A 108 -13.485 -13.639 2.473 1.00 10.24 N ATOM 667 CA PRO A 108 -13.108 -15.051 2.440 1.00 11.19 C ATOM 668 C PRO A 108 -14.273 -15.956 2.827 1.00 11.68 C ATOM 669 O PRO A 108 -14.670 -15.945 4.011 1.00 12.15 O ATOM 670 CB PRO A 108 -11.976 -15.162 3.476 1.00 11.08 C ATOM 671 CG PRO A 108 -11.577 -13.757 3.787 1.00 10.16 C ATOM 672 CD PRO A 108 -12.798 -12.920 3.557 1.00 9.48 C ATOM 673 OXT PRO A 108 -14.785 -16.679 1.952 1.00 11.71 O ATOM 0 HA PRO A 108 -12.807 -15.367 1.441 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -12.315 -15.681 4.373 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -11.135 -15.729 3.078 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -11.232 -13.668 4.817 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -10.756 -13.434 3.147 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -13.416 -12.851 4.452 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -12.541 -11.901 3.268 1.00 9.48 H new ATOM 682 N MET B 1 19.128 1.098 4.934 1.00 3.94 N ATOM 683 CA MET B 1 18.217 1.814 5.854 1.00 3.71 C ATOM 684 C MET B 1 17.034 0.926 6.210 1.00 3.30 C ATOM 685 O MET B 1 16.598 0.104 5.399 1.00 3.21 O ATOM 686 CB MET B 1 17.726 3.124 5.218 1.00 3.98 C ATOM 687 CG MET B 1 16.823 2.928 4.012 1.00 3.93 C ATOM 688 SD MET B 1 16.179 4.487 3.373 1.00 4.45 S ATOM 689 CE MET B 1 15.257 3.913 1.951 1.00 4.38 C ATOM 0 H1 MET B 1 19.942 1.705 4.709 1.00 3.94 H new ATOM 0 H2 MET B 1 19.463 0.224 5.387 1.00 3.94 H new ATOM 0 H3 MET B 1 18.621 0.861 4.058 1.00 3.94 H new ATOM 0 HA MET B 1 18.764 2.058 6.765 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.189 3.702 5.970 1.00 3.98 H new ATOM 0 HB3 MET B 1 18.591 3.716 4.919 1.00 3.98 H new ATOM 0 HG2 MET B 1 17.378 2.418 3.225 1.00 3.93 H new ATOM 0 HG3 MET B 1 15.991 2.280 4.286 1.00 3.93 H new ATOM 0 HE1 MET B 1 14.552 4.684 1.639 1.00 4.38 H new ATOM 0 HE2 MET B 1 15.945 3.699 1.133 1.00 4.38 H new ATOM 0 HE3 MET B 1 14.711 3.007 2.213 1.00 4.38 H new ATOM 701 N GLN B 2 16.522 1.090 7.418 1.00 3.23 N ATOM 702 CA GLN B 2 15.395 0.302 7.887 1.00 3.03 C ATOM 703 C GLN B 2 14.078 1.017 7.606 1.00 2.89 C ATOM 704 O GLN B 2 13.857 2.135 8.073 1.00 3.18 O ATOM 705 CB GLN B 2 15.529 0.024 9.388 1.00 3.32 C ATOM 706 CG GLN B 2 14.357 -0.749 9.977 1.00 3.40 C ATOM 707 CD GLN B 2 14.515 -1.016 11.461 1.00 3.92 C ATOM 708 OE1 GLN B 2 15.052 -2.047 11.867 1.00 4.23 O ATOM 709 NE2 GLN B 2 14.053 -0.086 12.281 1.00 4.19 N ATOM 0 H GLN B 2 16.872 1.767 8.096 1.00 3.23 H new ATOM 0 HA GLN B 2 15.396 -0.645 7.348 1.00 3.03 H new ATOM 0 HB2 GLN B 2 16.447 -0.537 9.564 1.00 3.32 H new ATOM 0 HB3 GLN B 2 15.629 0.972 9.916 1.00 3.32 H new ATOM 0 HG2 GLN B 2 13.437 -0.189 9.809 1.00 3.40 H new ATOM 0 HG3 GLN B 2 14.253 -1.698 9.451 1.00 3.40 H new ATOM 0 HE21 GLN B 2 13.615 0.754 11.904 1.00 4.19 H new ATOM 0 HE22 GLN B 2 14.135 -0.209 13.290 1.00 4.19 H new ATOM 718 N ILE B 3 13.223 0.379 6.823 1.00 2.59 N ATOM 719 CA ILE B 3 11.920 0.936 6.501 1.00 2.46 C ATOM 720 C ILE B 3 10.828 0.058 7.101 1.00 2.37 C ATOM 721 O ILE B 3 11.047 -1.129 7.351 1.00 2.51 O ATOM 722 CB ILE B 3 11.699 1.066 4.976 1.00 2.36 C ATOM 723 CG1 ILE B 3 11.864 -0.293 4.289 1.00 2.27 C ATOM 724 CG2 ILE B 3 12.660 2.087 4.382 1.00 2.82 C ATOM 725 CD1 ILE B 3 11.362 -0.315 2.862 1.00 2.38 C ATOM 0 H ILE B 3 13.410 -0.529 6.397 1.00 2.59 H new ATOM 0 HA ILE B 3 11.877 1.939 6.926 1.00 2.46 H new ATOM 0 HB ILE B 3 10.680 1.414 4.805 1.00 2.36 H new ATOM 0 HG12 ILE B 3 12.918 -0.570 4.299 1.00 2.27 H new ATOM 0 HG13 ILE B 3 11.330 -1.049 4.865 1.00 2.27 H new ATOM 0 HG21 ILE B 3 12.490 2.165 3.308 1.00 2.82 H new ATOM 0 HG22 ILE B 3 12.492 3.058 4.848 1.00 2.82 H new ATOM 0 HG23 ILE B 3 13.687 1.770 4.565 1.00 2.82 H new ATOM 0 HD11 ILE B 3 11.511 -1.309 2.439 1.00 2.38 H new ATOM 0 HD12 ILE B 3 10.300 -0.069 2.846 1.00 2.38 H new ATOM 0 HD13 ILE B 3 11.913 0.417 2.271 1.00 2.38 H new ATOM 737 N PHE B 4 9.666 0.639 7.348 1.00 2.37 N ATOM 738 CA PHE B 4 8.557 -0.103 7.923 1.00 2.50 C ATOM 739 C PHE B 4 7.459 -0.298 6.890 1.00 2.11 C ATOM 740 O PHE B 4 6.767 0.650 6.520 1.00 1.98 O ATOM 741 CB PHE B 4 7.999 0.627 9.146 1.00 3.07 C ATOM 742 CG PHE B 4 8.971 0.730 10.289 1.00 3.52 C ATOM 743 CD1 PHE B 4 9.237 -0.366 11.096 1.00 3.82 C ATOM 744 CD2 PHE B 4 9.614 1.927 10.559 1.00 3.79 C ATOM 745 CE1 PHE B 4 10.126 -0.267 12.150 1.00 4.25 C ATOM 746 CE2 PHE B 4 10.503 2.031 11.612 1.00 4.21 C ATOM 747 CZ PHE B 4 10.758 0.933 12.409 1.00 4.39 C ATOM 0 H PHE B 4 9.466 1.621 7.160 1.00 2.37 H new ATOM 0 HA PHE B 4 8.925 -1.080 8.236 1.00 2.50 H new ATOM 0 HB2 PHE B 4 7.693 1.631 8.850 1.00 3.07 H new ATOM 0 HB3 PHE B 4 7.103 0.109 9.489 1.00 3.07 H new ATOM 0 HD1 PHE B 4 8.744 -1.307 10.899 1.00 3.82 H new ATOM 0 HD2 PHE B 4 9.418 2.789 9.939 1.00 3.79 H new ATOM 0 HE1 PHE B 4 10.326 -1.128 12.771 1.00 4.25 H new ATOM 0 HE2 PHE B 4 10.998 2.970 11.811 1.00 4.21 H new ATOM 0 HZ PHE B 4 11.451 1.013 13.234 1.00 4.39 H new ATOM 757 N VAL B 5 7.313 -1.519 6.412 1.00 2.12 N ATOM 758 CA VAL B 5 6.291 -1.827 5.428 1.00 1.86 C ATOM 759 C VAL B 5 5.038 -2.338 6.133 1.00 2.31 C ATOM 760 O VAL B 5 4.983 -3.488 6.562 1.00 2.88 O ATOM 761 CB VAL B 5 6.780 -2.874 4.409 1.00 1.97 C ATOM 762 CG1 VAL B 5 5.748 -3.085 3.314 1.00 1.84 C ATOM 763 CG2 VAL B 5 8.116 -2.461 3.809 1.00 1.92 C ATOM 0 H VAL B 5 7.889 -2.314 6.689 1.00 2.12 H new ATOM 0 HA VAL B 5 6.063 -0.912 4.882 1.00 1.86 H new ATOM 0 HB VAL B 5 6.918 -3.818 4.936 1.00 1.97 H new ATOM 0 HG11 VAL B 5 6.115 -3.828 2.606 1.00 1.84 H new ATOM 0 HG12 VAL B 5 4.815 -3.435 3.756 1.00 1.84 H new ATOM 0 HG13 VAL B 5 5.573 -2.144 2.793 1.00 1.84 H new ATOM 0 HG21 VAL B 5 8.442 -3.215 3.092 1.00 1.92 H new ATOM 0 HG22 VAL B 5 8.006 -1.502 3.302 1.00 1.92 H new ATOM 0 HG23 VAL B 5 8.858 -2.369 4.602 1.00 1.92 H new ATOM 773 N LYS B 6 4.044 -1.471 6.258 1.00 2.22 N ATOM 774 CA LYS B 6 2.801 -1.819 6.931 1.00 2.75 C ATOM 775 C LYS B 6 1.684 -2.047 5.921 1.00 2.53 C ATOM 776 O LYS B 6 1.386 -1.176 5.103 1.00 2.01 O ATOM 777 CB LYS B 6 2.409 -0.708 7.915 1.00 3.10 C ATOM 778 CG LYS B 6 1.065 -0.921 8.595 1.00 3.77 C ATOM 779 CD LYS B 6 0.674 0.283 9.438 1.00 4.23 C ATOM 780 CE LYS B 6 -0.743 0.158 9.977 1.00 4.92 C ATOM 781 NZ LYS B 6 -1.165 1.375 10.723 1.00 5.45 N ATOM 0 H LYS B 6 4.075 -0.516 5.900 1.00 2.22 H new ATOM 0 HA LYS B 6 2.955 -2.746 7.483 1.00 2.75 H new ATOM 0 HB2 LYS B 6 3.181 -0.627 8.680 1.00 3.10 H new ATOM 0 HB3 LYS B 6 2.387 0.243 7.382 1.00 3.10 H new ATOM 0 HG2 LYS B 6 0.299 -1.104 7.841 1.00 3.77 H new ATOM 0 HG3 LYS B 6 1.111 -1.809 9.225 1.00 3.77 H new ATOM 0 HD2 LYS B 6 1.371 0.387 10.269 1.00 4.23 H new ATOM 0 HD3 LYS B 6 0.756 1.189 8.838 1.00 4.23 H new ATOM 0 HE2 LYS B 6 -1.431 -0.017 9.150 1.00 4.92 H new ATOM 0 HE3 LYS B 6 -0.806 -0.710 10.634 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 -2.136 1.248 11.073 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 -0.524 1.529 11.528 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 -1.130 2.200 10.090 1.00 5.45 H new ATOM 795 N THR B 7 1.076 -3.223 5.974 1.00 3.04 N ATOM 796 CA THR B 7 -0.011 -3.559 5.070 1.00 3.03 C ATOM 797 C THR B 7 -1.330 -2.983 5.568 1.00 3.25 C ATOM 798 O THR B 7 -1.372 -2.267 6.571 1.00 3.60 O ATOM 799 CB THR B 7 -0.168 -5.083 4.917 1.00 3.68 C ATOM 800 OG1 THR B 7 -0.671 -5.646 6.136 1.00 4.31 O ATOM 801 CG2 THR B 7 1.157 -5.737 4.556 1.00 3.69 C ATOM 0 H THR B 7 1.318 -3.961 6.635 1.00 3.04 H new ATOM 0 HA THR B 7 0.240 -3.126 4.102 1.00 3.03 H new ATOM 0 HB THR B 7 -0.874 -5.273 4.109 1.00 3.68 H new ATOM 0 HG1 THR B 7 -1.285 -6.381 5.928 1.00 4.31 H new ATOM 0 HG21 THR B 7 1.016 -6.813 4.454 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.520 -5.328 3.613 1.00 3.69 H new ATOM 0 HG23 THR B 7 1.886 -5.539 5.342 1.00 3.69 H new ATOM 809 N LEU B 8 -2.407 -3.319 4.871 1.00 3.25 N ATOM 810 CA LEU B 8 -3.742 -2.851 5.219 1.00 3.52 C ATOM 811 C LEU B 8 -4.216 -3.423 6.557 1.00 4.35 C ATOM 812 O LEU B 8 -4.979 -2.781 7.280 1.00 4.72 O ATOM 813 CB LEU B 8 -4.723 -3.251 4.119 1.00 3.31 C ATOM 814 CG LEU B 8 -4.415 -2.674 2.737 1.00 2.62 C ATOM 815 CD1 LEU B 8 -5.384 -3.221 1.705 1.00 2.63 C ATOM 816 CD2 LEU B 8 -4.471 -1.155 2.766 1.00 2.72 C ATOM 0 H LEU B 8 -2.380 -3.923 4.049 1.00 3.25 H new ATOM 0 HA LEU B 8 -3.702 -1.766 5.315 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -4.740 -4.338 4.046 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -5.724 -2.935 4.413 1.00 3.31 H new ATOM 0 HG LEU B 8 -3.405 -2.975 2.457 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -5.150 -2.800 0.727 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -5.296 -4.307 1.663 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -6.403 -2.950 1.983 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -4.249 -0.764 1.773 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -5.468 -0.833 3.068 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.737 -0.777 3.477 1.00 2.72 H new ATOM 828 N THR B 9 -3.753 -4.622 6.883 1.00 4.73 N ATOM 829 CA THR B 9 -4.149 -5.277 8.122 1.00 5.55 C ATOM 830 C THR B 9 -3.241 -4.885 9.283 1.00 5.75 C ATOM 831 O THR B 9 -3.438 -5.326 10.418 1.00 6.45 O ATOM 832 CB THR B 9 -4.132 -6.805 7.957 1.00 5.98 C ATOM 833 OG1 THR B 9 -3.142 -7.181 6.987 1.00 5.57 O ATOM 834 CG2 THR B 9 -5.493 -7.317 7.521 1.00 6.63 C ATOM 0 H THR B 9 -3.104 -5.160 6.308 1.00 4.73 H new ATOM 0 HA THR B 9 -5.162 -4.945 8.349 1.00 5.55 H new ATOM 0 HB THR B 9 -3.886 -7.250 8.921 1.00 5.98 H new ATOM 0 HG1 THR B 9 -3.558 -7.240 6.101 1.00 5.57 H new ATOM 0 HG21 THR B 9 -5.456 -8.401 7.411 1.00 6.63 H new ATOM 0 HG22 THR B 9 -6.238 -7.054 8.272 1.00 6.63 H new ATOM 0 HG23 THR B 9 -5.763 -6.865 6.567 1.00 6.63 H new ATOM 842 N GLY B 10 -2.249 -4.056 8.995 1.00 5.22 N ATOM 843 CA GLY B 10 -1.329 -3.622 10.023 1.00 5.46 C ATOM 844 C GLY B 10 -0.073 -4.463 10.050 1.00 5.45 C ATOM 845 O GLY B 10 0.814 -4.239 10.876 1.00 5.66 O ATOM 0 H GLY B 10 -2.065 -3.676 8.066 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -1.063 -2.578 9.855 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -1.821 -3.673 10.995 1.00 5.46 H new ATOM 849 N LYS B 11 0.008 -5.427 9.136 1.00 5.32 N ATOM 850 CA LYS B 11 1.165 -6.307 9.049 1.00 5.39 C ATOM 851 C LYS B 11 2.393 -5.494 8.671 1.00 4.77 C ATOM 852 O LYS B 11 2.519 -5.043 7.536 1.00 4.21 O ATOM 853 CB LYS B 11 0.927 -7.410 8.013 1.00 5.58 C ATOM 854 CG LYS B 11 1.768 -8.657 8.230 1.00 5.83 C ATOM 855 CD LYS B 11 1.495 -9.703 7.159 1.00 6.11 C ATOM 856 CE LYS B 11 1.952 -11.089 7.597 1.00 6.82 C ATOM 857 NZ LYS B 11 3.435 -11.188 7.702 1.00 6.90 N ATOM 0 H LYS B 11 -0.717 -5.617 8.444 1.00 5.32 H new ATOM 0 HA LYS B 11 1.325 -6.777 10.019 1.00 5.39 H new ATOM 0 HB2 LYS B 11 -0.127 -7.688 8.030 1.00 5.58 H new ATOM 0 HB3 LYS B 11 1.136 -7.012 7.020 1.00 5.58 H new ATOM 0 HG2 LYS B 11 2.825 -8.391 8.220 1.00 5.83 H new ATOM 0 HG3 LYS B 11 1.554 -9.076 9.213 1.00 5.83 H new ATOM 0 HD2 LYS B 11 0.428 -9.725 6.935 1.00 6.11 H new ATOM 0 HD3 LYS B 11 2.008 -9.424 6.239 1.00 6.11 H new ATOM 0 HE2 LYS B 11 1.505 -11.329 8.562 1.00 6.82 H new ATOM 0 HE3 LYS B 11 1.590 -11.831 6.885 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 3.691 -12.085 8.161 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 3.853 -11.154 6.750 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 3.797 -10.394 8.268 1.00 6.90 H new ATOM 871 N THR B 12 3.275 -5.284 9.630 1.00 4.90 N ATOM 872 CA THR B 12 4.476 -4.510 9.392 1.00 4.39 C ATOM 873 C THR B 12 5.699 -5.409 9.293 1.00 4.49 C ATOM 874 O THR B 12 6.120 -6.019 10.275 1.00 5.01 O ATOM 875 CB THR B 12 4.681 -3.473 10.507 1.00 4.56 C ATOM 876 OG1 THR B 12 3.432 -2.823 10.788 1.00 4.81 O ATOM 877 CG2 THR B 12 5.721 -2.437 10.104 1.00 4.02 C ATOM 0 H THR B 12 3.181 -5.639 10.581 1.00 4.90 H new ATOM 0 HA THR B 12 4.351 -3.991 8.442 1.00 4.39 H new ATOM 0 HB THR B 12 5.040 -3.987 11.399 1.00 4.56 H new ATOM 0 HG1 THR B 12 3.560 -2.162 11.500 1.00 4.81 H new ATOM 0 HG21 THR B 12 5.847 -1.715 10.911 1.00 4.02 H new ATOM 0 HG22 THR B 12 6.672 -2.933 9.909 1.00 4.02 H new ATOM 0 HG23 THR B 12 5.390 -1.920 9.203 1.00 4.02 H new ATOM 885 N ILE B 13 6.254 -5.496 8.097 1.00 4.04 N ATOM 886 CA ILE B 13 7.424 -6.320 7.860 1.00 4.20 C ATOM 887 C ILE B 13 8.676 -5.453 7.776 1.00 3.72 C ATOM 888 O ILE B 13 8.612 -4.284 7.381 1.00 3.18 O ATOM 889 CB ILE B 13 7.278 -7.159 6.569 1.00 4.30 C ATOM 890 CG1 ILE B 13 7.371 -6.266 5.326 1.00 3.68 C ATOM 891 CG2 ILE B 13 5.954 -7.913 6.580 1.00 4.88 C ATOM 892 CD1 ILE B 13 7.623 -7.031 4.044 1.00 3.94 C ATOM 0 H ILE B 13 5.911 -5.004 7.272 1.00 4.04 H new ATOM 0 HA ILE B 13 7.517 -7.008 8.701 1.00 4.20 H new ATOM 0 HB ILE B 13 8.095 -7.880 6.533 1.00 4.30 H new ATOM 0 HG12 ILE B 13 6.444 -5.701 5.225 1.00 3.68 H new ATOM 0 HG13 ILE B 13 8.172 -5.541 5.470 1.00 3.68 H new ATOM 0 HG21 ILE B 13 5.862 -8.500 5.666 1.00 4.88 H new ATOM 0 HG22 ILE B 13 5.921 -8.578 7.443 1.00 4.88 H new ATOM 0 HG23 ILE B 13 5.130 -7.201 6.638 1.00 4.88 H new ATOM 0 HD11 ILE B 13 7.676 -6.333 3.208 1.00 3.94 H new ATOM 0 HD12 ILE B 13 8.564 -7.575 4.124 1.00 3.94 H new ATOM 0 HD13 ILE B 13 6.810 -7.737 3.876 1.00 3.94 H new ATOM 904 N THR B 14 9.805 -6.018 8.170 1.00 3.98 N ATOM 905 CA THR B 14 11.065 -5.303 8.134 1.00 3.64 C ATOM 906 C THR B 14 11.765 -5.525 6.800 1.00 3.52 C ATOM 907 O THR B 14 11.714 -6.623 6.235 1.00 3.96 O ATOM 908 CB THR B 14 11.977 -5.769 9.279 1.00 4.07 C ATOM 909 OG1 THR B 14 11.347 -6.855 9.978 1.00 4.66 O ATOM 910 CG2 THR B 14 12.257 -4.628 10.246 1.00 4.07 C ATOM 0 H THR B 14 9.872 -6.974 8.520 1.00 3.98 H new ATOM 0 HA THR B 14 10.858 -4.240 8.253 1.00 3.64 H new ATOM 0 HB THR B 14 12.926 -6.102 8.858 1.00 4.07 H new ATOM 0 HG1 THR B 14 11.928 -7.155 10.708 1.00 4.66 H new ATOM 0 HG21 THR B 14 12.905 -4.982 11.048 1.00 4.07 H new ATOM 0 HG22 THR B 14 12.749 -3.813 9.715 1.00 4.07 H new ATOM 0 HG23 THR B 14 11.318 -4.271 10.669 1.00 4.07 H new ATOM 918 N LEU B 15 12.402 -4.484 6.287 1.00 3.09 N ATOM 919 CA LEU B 15 13.104 -4.581 5.019 1.00 3.19 C ATOM 920 C LEU B 15 14.356 -3.715 5.032 1.00 3.10 C ATOM 921 O LEU B 15 14.310 -2.546 5.421 1.00 2.80 O ATOM 922 CB LEU B 15 12.185 -4.162 3.868 1.00 3.02 C ATOM 923 CG LEU B 15 12.455 -4.858 2.535 1.00 3.52 C ATOM 924 CD1 LEU B 15 12.071 -6.328 2.613 1.00 4.02 C ATOM 925 CD2 LEU B 15 11.696 -4.167 1.415 1.00 3.47 C ATOM 0 H LEU B 15 12.447 -3.565 6.728 1.00 3.09 H new ATOM 0 HA LEU B 15 13.402 -5.619 4.871 1.00 3.19 H new ATOM 0 HB2 LEU B 15 11.153 -4.357 4.159 1.00 3.02 H new ATOM 0 HB3 LEU B 15 12.278 -3.086 3.723 1.00 3.02 H new ATOM 0 HG LEU B 15 13.522 -4.794 2.321 1.00 3.52 H new ATOM 0 HD11 LEU B 15 12.270 -6.807 1.655 1.00 4.02 H new ATOM 0 HD12 LEU B 15 12.657 -6.816 3.392 1.00 4.02 H new ATOM 0 HD13 LEU B 15 11.010 -6.415 2.849 1.00 4.02 H new ATOM 0 HD21 LEU B 15 11.898 -4.674 0.472 1.00 3.47 H new ATOM 0 HD22 LEU B 15 10.627 -4.203 1.624 1.00 3.47 H new ATOM 0 HD23 LEU B 15 12.018 -3.128 1.345 1.00 3.47 H new ATOM 937 N GLU B 16 15.470 -4.300 4.619 1.00 3.49 N ATOM 938 CA GLU B 16 16.741 -3.593 4.571 1.00 3.55 C ATOM 939 C GLU B 16 17.039 -3.172 3.138 1.00 3.81 C ATOM 940 O GLU B 16 17.517 -3.972 2.336 1.00 4.27 O ATOM 941 CB GLU B 16 17.872 -4.482 5.098 1.00 3.90 C ATOM 942 CG GLU B 16 17.440 -5.426 6.208 1.00 3.90 C ATOM 943 CD GLU B 16 18.586 -5.820 7.111 1.00 4.28 C ATOM 944 OE1 GLU B 16 19.263 -6.829 6.821 1.00 4.63 O ATOM 945 OE2 GLU B 16 18.820 -5.117 8.116 1.00 4.35 O ATOM 0 H GLU B 16 15.519 -5.271 4.310 1.00 3.49 H new ATOM 0 HA GLU B 16 16.673 -2.708 5.203 1.00 3.55 H new ATOM 0 HB2 GLU B 16 18.277 -5.067 4.272 1.00 3.90 H new ATOM 0 HB3 GLU B 16 18.679 -3.848 5.466 1.00 3.90 H new ATOM 0 HG2 GLU B 16 16.660 -4.950 6.803 1.00 3.90 H new ATOM 0 HG3 GLU B 16 17.003 -6.323 5.769 1.00 3.90 H new ATOM 952 N VAL B 17 16.740 -1.926 2.815 1.00 3.69 N ATOM 953 CA VAL B 17 16.969 -1.418 1.469 1.00 4.13 C ATOM 954 C VAL B 17 17.894 -0.210 1.486 1.00 4.32 C ATOM 955 O VAL B 17 18.098 0.414 2.530 1.00 4.09 O ATOM 956 CB VAL B 17 15.646 -1.025 0.781 1.00 4.08 C ATOM 957 CG1 VAL B 17 14.804 -2.256 0.495 1.00 4.20 C ATOM 958 CG2 VAL B 17 14.869 -0.035 1.637 1.00 3.58 C ATOM 0 H VAL B 17 16.339 -1.247 3.462 1.00 3.69 H new ATOM 0 HA VAL B 17 17.438 -2.225 0.906 1.00 4.13 H new ATOM 0 HB VAL B 17 15.886 -0.545 -0.168 1.00 4.08 H new ATOM 0 HG11 VAL B 17 13.875 -1.957 0.010 1.00 4.20 H new ATOM 0 HG12 VAL B 17 15.355 -2.930 -0.161 1.00 4.20 H new ATOM 0 HG13 VAL B 17 14.576 -2.766 1.431 1.00 4.20 H new ATOM 0 HG21 VAL B 17 13.939 0.230 1.134 1.00 3.58 H new ATOM 0 HG22 VAL B 17 14.643 -0.488 2.602 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.468 0.863 1.789 1.00 3.58 H new ATOM 968 N GLU B 18 18.452 0.111 0.329 1.00 4.88 N ATOM 969 CA GLU B 18 19.342 1.250 0.193 1.00 5.24 C ATOM 970 C GLU B 18 18.628 2.367 -0.564 1.00 5.46 C ATOM 971 O GLU B 18 17.722 2.097 -1.345 1.00 5.46 O ATOM 972 CB GLU B 18 20.619 0.837 -0.546 1.00 5.81 C ATOM 973 CG GLU B 18 21.373 -0.302 0.128 1.00 5.71 C ATOM 974 CD GLU B 18 21.954 0.090 1.473 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.036 1.302 1.767 1.00 5.63 O ATOM 976 OE2 GLU B 18 22.349 -0.814 2.242 1.00 5.09 O ATOM 0 H GLU B 18 18.301 -0.408 -0.536 1.00 4.88 H new ATOM 0 HA GLU B 18 19.619 1.611 1.184 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.360 0.539 -1.562 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.278 1.701 -0.625 1.00 5.81 H new ATOM 0 HG2 GLU B 18 20.699 -1.148 0.262 1.00 5.71 H new ATOM 0 HG3 GLU B 18 22.178 -0.636 -0.527 1.00 5.71 H new ATOM 983 N PRO B 19 19.014 3.633 -0.347 1.00 5.75 N ATOM 984 CA PRO B 19 18.386 4.779 -1.024 1.00 6.08 C ATOM 985 C PRO B 19 18.467 4.692 -2.550 1.00 6.61 C ATOM 986 O PRO B 19 17.641 5.270 -3.260 1.00 6.79 O ATOM 987 CB PRO B 19 19.194 5.979 -0.522 1.00 6.47 C ATOM 988 CG PRO B 19 19.796 5.523 0.760 1.00 6.13 C ATOM 989 CD PRO B 19 20.072 4.058 0.583 1.00 5.84 C ATOM 0 HA PRO B 19 17.320 4.834 -0.803 1.00 6.08 H new ATOM 0 HB2 PRO B 19 19.962 6.266 -1.240 1.00 6.47 H new ATOM 0 HB3 PRO B 19 18.556 6.850 -0.372 1.00 6.47 H new ATOM 0 HG2 PRO B 19 20.713 6.070 0.978 1.00 6.13 H new ATOM 0 HG3 PRO B 19 19.116 5.695 1.594 1.00 6.13 H new ATOM 0 HD2 PRO B 19 21.066 3.881 0.172 1.00 5.84 H new ATOM 0 HD3 PRO B 19 20.018 3.520 1.529 1.00 5.84 H new ATOM 997 N SER B 20 19.458 3.962 -3.047 1.00 6.88 N ATOM 998 CA SER B 20 19.654 3.803 -4.480 1.00 7.46 C ATOM 999 C SER B 20 18.806 2.660 -5.047 1.00 7.30 C ATOM 1000 O SER B 20 18.811 2.417 -6.254 1.00 7.78 O ATOM 1001 CB SER B 20 21.135 3.549 -4.760 1.00 7.90 C ATOM 1002 OG SER B 20 21.948 4.246 -3.827 1.00 7.58 O ATOM 0 H SER B 20 20.142 3.468 -2.473 1.00 6.88 H new ATOM 0 HA SER B 20 19.333 4.721 -4.973 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.343 2.480 -4.704 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.379 3.869 -5.773 1.00 7.90 H new ATOM 0 HG SER B 20 22.892 4.070 -4.021 1.00 7.58 H new ATOM 1008 N ASP B 21 18.074 1.969 -4.181 1.00 6.67 N ATOM 1009 CA ASP B 21 17.237 0.858 -4.616 1.00 6.54 C ATOM 1010 C ASP B 21 15.939 1.371 -5.220 1.00 6.58 C ATOM 1011 O ASP B 21 15.404 2.398 -4.792 1.00 6.35 O ATOM 1012 CB ASP B 21 16.929 -0.085 -3.448 1.00 5.90 C ATOM 1013 CG ASP B 21 17.942 -1.205 -3.321 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.060 -2.013 -4.266 1.00 6.52 O ATOM 1015 OD2 ASP B 21 18.625 -1.286 -2.275 1.00 5.79 O ATOM 0 H ASP B 21 18.043 2.157 -3.179 1.00 6.67 H new ATOM 0 HA ASP B 21 17.787 0.303 -5.376 1.00 6.54 H new ATOM 0 HB2 ASP B 21 16.907 0.487 -2.520 1.00 5.90 H new ATOM 0 HB3 ASP B 21 15.935 -0.512 -3.583 1.00 5.90 H new ATOM 1020 N THR B 22 15.448 0.665 -6.226 1.00 6.93 N ATOM 1021 CA THR B 22 14.205 1.036 -6.879 1.00 7.01 C ATOM 1022 C THR B 22 13.044 0.299 -6.234 1.00 6.40 C ATOM 1023 O THR B 22 13.242 -0.745 -5.605 1.00 6.11 O ATOM 1024 CB THR B 22 14.229 0.704 -8.385 1.00 7.68 C ATOM 1025 OG1 THR B 22 14.582 -0.671 -8.573 1.00 7.91 O ATOM 1026 CG2 THR B 22 15.215 1.594 -9.128 1.00 8.28 C ATOM 0 H THR B 22 15.893 -0.170 -6.608 1.00 6.93 H new ATOM 0 HA THR B 22 14.084 2.113 -6.764 1.00 7.01 H new ATOM 0 HB THR B 22 13.233 0.885 -8.789 1.00 7.68 H new ATOM 0 HG1 THR B 22 14.594 -0.878 -9.531 1.00 7.91 H new ATOM 0 HG21 THR B 22 15.210 1.337 -10.187 1.00 8.28 H new ATOM 0 HG22 THR B 22 14.926 2.638 -9.006 1.00 8.28 H new ATOM 0 HG23 THR B 22 16.216 1.445 -8.723 1.00 8.28 H new ATOM 1034 N ILE B 23 11.842 0.833 -6.387 1.00 6.25 N ATOM 1035 CA ILE B 23 10.655 0.206 -5.826 1.00 5.69 C ATOM 1036 C ILE B 23 10.469 -1.187 -6.429 1.00 5.85 C ATOM 1037 O ILE B 23 9.934 -2.094 -5.788 1.00 5.45 O ATOM 1038 CB ILE B 23 9.401 1.069 -6.078 1.00 5.64 C ATOM 1039 CG1 ILE B 23 9.655 2.519 -5.638 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.196 0.493 -5.348 1.00 5.05 C ATOM 1041 CD1 ILE B 23 9.995 2.669 -4.168 1.00 5.05 C ATOM 0 H ILE B 23 11.663 1.699 -6.895 1.00 6.25 H new ATOM 0 HA ILE B 23 10.790 0.115 -4.748 1.00 5.69 H new ATOM 0 HB ILE B 23 9.187 1.062 -7.147 1.00 5.64 H new ATOM 0 HG12 ILE B 23 10.471 2.930 -6.232 1.00 5.64 H new ATOM 0 HG13 ILE B 23 8.769 3.115 -5.858 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.323 1.117 -5.539 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.004 -0.519 -5.704 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.397 0.468 -4.277 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.160 3.722 -3.938 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.171 2.290 -3.563 1.00 5.05 H new ATOM 0 HD13 ILE B 23 10.899 2.103 -3.944 1.00 5.05 H new ATOM 1053 N GLU B 24 10.942 -1.347 -7.660 1.00 6.53 N ATOM 1054 CA GLU B 24 10.873 -2.620 -8.360 1.00 6.87 C ATOM 1055 C GLU B 24 11.652 -3.686 -7.588 1.00 6.77 C ATOM 1056 O GLU B 24 11.203 -4.825 -7.448 1.00 6.75 O ATOM 1057 CB GLU B 24 11.446 -2.464 -9.769 1.00 7.65 C ATOM 1058 CG GLU B 24 11.305 -3.702 -10.634 1.00 8.08 C ATOM 1059 CD GLU B 24 11.978 -3.539 -11.977 1.00 8.84 C ATOM 1060 OE1 GLU B 24 13.223 -3.624 -12.036 1.00 9.13 O ATOM 1061 OE2 GLU B 24 11.268 -3.321 -12.978 1.00 9.18 O ATOM 0 H GLU B 24 11.382 -0.600 -8.197 1.00 6.53 H new ATOM 0 HA GLU B 24 9.832 -2.933 -8.432 1.00 6.87 H new ATOM 0 HB2 GLU B 24 10.947 -1.630 -10.263 1.00 7.65 H new ATOM 0 HB3 GLU B 24 12.502 -2.204 -9.694 1.00 7.65 H new ATOM 0 HG2 GLU B 24 11.737 -4.557 -10.114 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.248 -3.920 -10.783 1.00 8.08 H new ATOM 1068 N ASN B 25 12.817 -3.299 -7.074 1.00 6.77 N ATOM 1069 CA ASN B 25 13.651 -4.217 -6.306 1.00 6.71 C ATOM 1070 C ASN B 25 13.050 -4.440 -4.923 1.00 6.02 C ATOM 1071 O ASN B 25 13.162 -5.523 -4.351 1.00 6.03 O ATOM 1072 CB ASN B 25 15.083 -3.690 -6.178 1.00 6.89 C ATOM 1073 CG ASN B 25 16.054 -4.780 -5.757 1.00 7.03 C ATOM 1074 OD1 ASN B 25 15.867 -5.952 -6.087 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.093 -4.406 -5.032 1.00 6.86 N ATOM 0 H ASN B 25 13.203 -2.360 -7.175 1.00 6.77 H new ATOM 0 HA ASN B 25 13.686 -5.167 -6.839 1.00 6.71 H new ATOM 0 HB2 ASN B 25 15.401 -3.269 -7.132 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.108 -2.881 -5.448 1.00 6.89 H new ATOM 0 HD21 ASN B 25 17.776 -5.098 -4.725 1.00 6.86 H new ATOM 0 HD22 ASN B 25 17.212 -3.425 -4.779 1.00 6.86 H new ATOM 1082 N VAL B 26 12.406 -3.402 -4.396 1.00 5.50 N ATOM 1083 CA VAL B 26 11.755 -3.480 -3.093 1.00 4.81 C ATOM 1084 C VAL B 26 10.675 -4.556 -3.126 1.00 4.82 C ATOM 1085 O VAL B 26 10.570 -5.381 -2.214 1.00 4.68 O ATOM 1086 CB VAL B 26 11.127 -2.121 -2.692 1.00 4.33 C ATOM 1087 CG1 VAL B 26 10.345 -2.240 -1.390 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.203 -1.051 -2.570 1.00 4.48 C ATOM 0 H VAL B 26 12.321 -2.494 -4.854 1.00 5.50 H new ATOM 0 HA VAL B 26 12.511 -3.734 -2.350 1.00 4.81 H new ATOM 0 HB VAL B 26 10.431 -1.828 -3.478 1.00 4.33 H new ATOM 0 HG11 VAL B 26 9.916 -1.271 -1.134 1.00 3.62 H new ATOM 0 HG12 VAL B 26 9.545 -2.971 -1.511 1.00 3.62 H new ATOM 0 HG13 VAL B 26 11.014 -2.563 -0.592 1.00 3.62 H new ATOM 0 HG21 VAL B 26 11.744 -0.104 -2.288 1.00 4.48 H new ATOM 0 HG22 VAL B 26 12.924 -1.346 -1.808 1.00 4.48 H new ATOM 0 HG23 VAL B 26 12.712 -0.936 -3.527 1.00 4.48 H new ATOM 1098 N LYS B 27 9.904 -4.559 -4.208 1.00 5.10 N ATOM 1099 CA LYS B 27 8.839 -5.533 -4.393 1.00 5.22 C ATOM 1100 C LYS B 27 9.402 -6.951 -4.415 1.00 5.78 C ATOM 1101 O LYS B 27 8.807 -7.877 -3.861 1.00 5.83 O ATOM 1102 CB LYS B 27 8.090 -5.262 -5.698 1.00 5.53 C ATOM 1103 CG LYS B 27 7.217 -4.020 -5.668 1.00 5.06 C ATOM 1104 CD LYS B 27 6.543 -3.797 -7.011 1.00 5.45 C ATOM 1105 CE LYS B 27 5.434 -2.763 -6.923 1.00 5.06 C ATOM 1106 NZ LYS B 27 4.688 -2.647 -8.205 1.00 5.50 N ATOM 0 H LYS B 27 9.999 -3.892 -4.974 1.00 5.10 H new ATOM 0 HA LYS B 27 8.148 -5.440 -3.555 1.00 5.22 H new ATOM 0 HB2 LYS B 27 8.815 -5.164 -6.506 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.467 -6.125 -5.932 1.00 5.53 H new ATOM 0 HG2 LYS B 27 6.461 -4.121 -4.890 1.00 5.06 H new ATOM 0 HG3 LYS B 27 7.823 -3.151 -5.412 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.285 -3.472 -7.740 1.00 5.45 H new ATOM 0 HD3 LYS B 27 6.132 -4.740 -7.372 1.00 5.45 H new ATOM 0 HE2 LYS B 27 4.745 -3.036 -6.124 1.00 5.06 H new ATOM 0 HE3 LYS B 27 5.859 -1.794 -6.660 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 3.673 -2.539 -8.007 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 5.028 -1.817 -8.731 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.841 -3.504 -8.774 1.00 5.50 H new ATOM 1120 N ALA B 28 10.561 -7.106 -5.045 1.00 6.27 N ATOM 1121 CA ALA B 28 11.214 -8.405 -5.153 1.00 6.84 C ATOM 1122 C ALA B 28 11.615 -8.937 -3.780 1.00 6.63 C ATOM 1123 O ALA B 28 11.510 -10.135 -3.512 1.00 6.99 O ATOM 1124 CB ALA B 28 12.426 -8.305 -6.065 1.00 7.35 C ATOM 0 H ALA B 28 11.070 -6.343 -5.491 1.00 6.27 H new ATOM 0 HA ALA B 28 10.504 -9.110 -5.586 1.00 6.84 H new ATOM 0 HB1 ALA B 28 12.907 -9.280 -6.139 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.110 -7.980 -7.056 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.132 -7.583 -5.654 1.00 7.35 H new ATOM 1130 N LYS B 29 12.068 -8.041 -2.912 1.00 6.10 N ATOM 1131 CA LYS B 29 12.481 -8.421 -1.567 1.00 5.90 C ATOM 1132 C LYS B 29 11.271 -8.839 -0.732 1.00 5.68 C ATOM 1133 O LYS B 29 11.312 -9.843 -0.017 1.00 5.96 O ATOM 1134 CB LYS B 29 13.217 -7.266 -0.886 1.00 5.38 C ATOM 1135 CG LYS B 29 14.541 -6.917 -1.544 1.00 5.69 C ATOM 1136 CD LYS B 29 15.177 -5.699 -0.894 1.00 5.31 C ATOM 1137 CE LYS B 29 16.518 -5.356 -1.526 1.00 5.69 C ATOM 1138 NZ LYS B 29 17.573 -6.341 -1.173 1.00 5.63 N ATOM 0 H LYS B 29 12.159 -7.046 -3.116 1.00 6.10 H new ATOM 0 HA LYS B 29 13.160 -9.270 -1.646 1.00 5.90 H new ATOM 0 HB2 LYS B 29 12.575 -6.385 -0.890 1.00 5.38 H new ATOM 0 HB3 LYS B 29 13.396 -7.525 0.157 1.00 5.38 H new ATOM 0 HG2 LYS B 29 15.220 -7.766 -1.472 1.00 5.69 H new ATOM 0 HG3 LYS B 29 14.383 -6.724 -2.605 1.00 5.69 H new ATOM 0 HD2 LYS B 29 14.504 -4.846 -0.984 1.00 5.31 H new ATOM 0 HD3 LYS B 29 15.314 -5.886 0.171 1.00 5.31 H new ATOM 0 HE2 LYS B 29 16.408 -5.317 -2.610 1.00 5.69 H new ATOM 0 HE3 LYS B 29 16.827 -4.363 -1.201 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 18.483 -6.031 -1.569 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 17.651 -6.410 -0.138 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 17.324 -7.272 -1.564 1.00 5.63 H new ATOM 1152 N ILE B 30 10.191 -8.072 -0.839 1.00 5.27 N ATOM 1153 CA ILE B 30 8.967 -8.363 -0.102 1.00 5.11 C ATOM 1154 C ILE B 30 8.359 -9.683 -0.572 1.00 5.80 C ATOM 1155 O ILE B 30 7.935 -10.510 0.236 1.00 6.03 O ATOM 1156 CB ILE B 30 7.933 -7.227 -0.266 1.00 4.53 C ATOM 1157 CG1 ILE B 30 8.508 -5.911 0.269 1.00 3.87 C ATOM 1158 CG2 ILE B 30 6.631 -7.573 0.450 1.00 4.48 C ATOM 1159 CD1 ILE B 30 7.609 -4.717 0.039 1.00 3.34 C ATOM 0 H ILE B 30 10.139 -7.243 -1.430 1.00 5.27 H new ATOM 0 HA ILE B 30 9.229 -8.444 0.953 1.00 5.11 H new ATOM 0 HB ILE B 30 7.714 -7.108 -1.327 1.00 4.53 H new ATOM 0 HG12 ILE B 30 8.694 -6.014 1.338 1.00 3.87 H new ATOM 0 HG13 ILE B 30 9.472 -5.726 -0.206 1.00 3.87 H new ATOM 0 HG21 ILE B 30 5.918 -6.759 0.321 1.00 4.48 H new ATOM 0 HG22 ILE B 30 6.216 -8.489 0.029 1.00 4.48 H new ATOM 0 HG23 ILE B 30 6.827 -7.719 1.512 1.00 4.48 H new ATOM 0 HD11 ILE B 30 8.082 -3.822 0.444 1.00 3.34 H new ATOM 0 HD12 ILE B 30 7.443 -4.587 -1.030 1.00 3.34 H new ATOM 0 HD13 ILE B 30 6.653 -4.880 0.537 1.00 3.34 H new ATOM 1171 N GLN B 31 8.353 -9.885 -1.882 1.00 6.20 N ATOM 1172 CA GLN B 31 7.803 -11.099 -2.473 1.00 6.89 C ATOM 1173 C GLN B 31 8.598 -12.331 -2.045 1.00 7.42 C ATOM 1174 O GLN B 31 8.036 -13.409 -1.850 1.00 7.92 O ATOM 1175 CB GLN B 31 7.811 -10.986 -3.998 1.00 7.24 C ATOM 1176 CG GLN B 31 7.333 -12.241 -4.707 1.00 7.96 C ATOM 1177 CD GLN B 31 7.979 -12.417 -6.064 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.104 -11.972 -6.289 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.277 -13.067 -6.976 1.00 8.89 N ATOM 0 H GLN B 31 8.725 -9.220 -2.560 1.00 6.20 H new ATOM 0 HA GLN B 31 6.778 -11.212 -2.119 1.00 6.89 H new ATOM 0 HB2 GLN B 31 7.179 -10.149 -4.295 1.00 7.24 H new ATOM 0 HB3 GLN B 31 8.823 -10.755 -4.331 1.00 7.24 H new ATOM 0 HG2 GLN B 31 7.552 -13.111 -4.088 1.00 7.96 H new ATOM 0 HG3 GLN B 31 6.250 -12.198 -4.826 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.347 -13.420 -6.748 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.665 -13.216 -7.908 1.00 8.89 H new ATOM 1188 N ASP B 32 9.899 -12.155 -1.888 1.00 7.32 N ATOM 1189 CA ASP B 32 10.791 -13.242 -1.502 1.00 7.80 C ATOM 1190 C ASP B 32 10.472 -13.785 -0.109 1.00 7.78 C ATOM 1191 O ASP B 32 10.512 -14.996 0.111 1.00 8.36 O ATOM 1192 CB ASP B 32 12.246 -12.758 -1.546 1.00 7.68 C ATOM 1193 CG ASP B 32 13.230 -13.786 -1.015 1.00 8.20 C ATOM 1194 OD1 ASP B 32 13.723 -14.612 -1.810 1.00 8.79 O ATOM 1195 OD2 ASP B 32 13.538 -13.758 0.196 1.00 8.05 O ATOM 0 H ASP B 32 10.368 -11.259 -2.023 1.00 7.32 H new ATOM 0 HA ASP B 32 10.644 -14.055 -2.213 1.00 7.80 H new ATOM 0 HB2 ASP B 32 12.509 -12.508 -2.574 1.00 7.68 H new ATOM 0 HB3 ASP B 32 12.336 -11.842 -0.963 1.00 7.68 H new ATOM 1200 N LYS B 33 10.135 -12.900 0.823 1.00 7.19 N ATOM 1201 CA LYS B 33 9.859 -13.328 2.193 1.00 7.24 C ATOM 1202 C LYS B 33 8.366 -13.489 2.504 1.00 7.31 C ATOM 1203 O LYS B 33 7.979 -14.437 3.187 1.00 7.78 O ATOM 1204 CB LYS B 33 10.501 -12.361 3.197 1.00 6.67 C ATOM 1205 CG LYS B 33 10.046 -10.916 3.058 1.00 5.91 C ATOM 1206 CD LYS B 33 10.493 -10.074 4.244 1.00 5.41 C ATOM 1207 CE LYS B 33 11.998 -9.851 4.242 1.00 5.44 C ATOM 1208 NZ LYS B 33 12.466 -9.211 5.499 1.00 5.21 N ATOM 0 H LYS B 33 10.047 -11.897 0.661 1.00 7.19 H new ATOM 0 HA LYS B 33 10.303 -14.319 2.290 1.00 7.24 H new ATOM 0 HB2 LYS B 33 10.277 -12.704 4.207 1.00 6.67 H new ATOM 0 HB3 LYS B 33 11.584 -12.401 3.080 1.00 6.67 H new ATOM 0 HG2 LYS B 33 10.449 -10.493 2.138 1.00 5.91 H new ATOM 0 HG3 LYS B 33 8.960 -10.882 2.975 1.00 5.91 H new ATOM 0 HD2 LYS B 33 9.983 -9.111 4.219 1.00 5.41 H new ATOM 0 HD3 LYS B 33 10.200 -10.567 5.171 1.00 5.41 H new ATOM 0 HE2 LYS B 33 12.506 -10.806 4.110 1.00 5.44 H new ATOM 0 HE3 LYS B 33 12.271 -9.225 3.393 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 13.504 -9.154 5.494 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 12.067 -8.253 5.571 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 12.155 -9.778 6.314 1.00 5.21 H new ATOM 1222 N GLU B 34 7.528 -12.587 2.005 1.00 6.89 N ATOM 1223 CA GLU B 34 6.094 -12.648 2.291 1.00 6.93 C ATOM 1224 C GLU B 34 5.325 -13.464 1.256 1.00 7.47 C ATOM 1225 O GLU B 34 4.255 -13.995 1.548 1.00 7.85 O ATOM 1226 CB GLU B 34 5.511 -11.240 2.384 1.00 6.19 C ATOM 1227 CG GLU B 34 5.969 -10.478 3.618 1.00 5.76 C ATOM 1228 CD GLU B 34 5.663 -11.220 4.905 1.00 6.20 C ATOM 1229 OE1 GLU B 34 4.472 -11.324 5.268 1.00 6.35 O ATOM 1230 OE2 GLU B 34 6.613 -11.698 5.566 1.00 6.48 O ATOM 0 H GLU B 34 7.810 -11.811 1.406 1.00 6.89 H new ATOM 0 HA GLU B 34 5.983 -13.154 3.250 1.00 6.93 H new ATOM 0 HB2 GLU B 34 5.793 -10.678 1.494 1.00 6.19 H new ATOM 0 HB3 GLU B 34 4.423 -11.305 2.389 1.00 6.19 H new ATOM 0 HG2 GLU B 34 7.042 -10.298 3.552 1.00 5.76 H new ATOM 0 HG3 GLU B 34 5.483 -9.503 3.640 1.00 5.76 H new ATOM 1237 N GLY B 35 5.861 -13.555 0.049 1.00 7.55 N ATOM 1238 CA GLY B 35 5.200 -14.314 -0.996 1.00 8.09 C ATOM 1239 C GLY B 35 4.135 -13.516 -1.722 1.00 7.80 C ATOM 1240 O GLY B 35 3.343 -14.073 -2.480 1.00 8.21 O ATOM 0 H GLY B 35 6.740 -13.118 -0.227 1.00 7.55 H new ATOM 0 HA2 GLY B 35 5.944 -14.656 -1.715 1.00 8.09 H new ATOM 0 HA3 GLY B 35 4.746 -15.204 -0.560 1.00 8.09 H new ATOM 1244 N ILE B 36 4.115 -12.212 -1.494 1.00 7.10 N ATOM 1245 CA ILE B 36 3.141 -11.340 -2.134 1.00 6.77 C ATOM 1246 C ILE B 36 3.619 -10.932 -3.525 1.00 6.83 C ATOM 1247 O ILE B 36 4.690 -10.344 -3.663 1.00 6.60 O ATOM 1248 CB ILE B 36 2.893 -10.069 -1.293 1.00 5.99 C ATOM 1249 CG1 ILE B 36 2.524 -10.440 0.146 1.00 6.04 C ATOM 1250 CG2 ILE B 36 1.796 -9.215 -1.922 1.00 5.67 C ATOM 1251 CD1 ILE B 36 2.652 -9.284 1.115 1.00 5.35 C ATOM 0 H ILE B 36 4.763 -11.733 -0.869 1.00 7.10 H new ATOM 0 HA ILE B 36 2.208 -11.898 -2.217 1.00 6.77 H new ATOM 0 HB ILE B 36 3.814 -9.486 -1.273 1.00 5.99 H new ATOM 0 HG12 ILE B 36 1.499 -10.810 0.167 1.00 6.04 H new ATOM 0 HG13 ILE B 36 3.165 -11.257 0.479 1.00 6.04 H new ATOM 0 HG21 ILE B 36 1.636 -8.324 -1.315 1.00 5.67 H new ATOM 0 HG22 ILE B 36 2.096 -8.920 -2.927 1.00 5.67 H new ATOM 0 HG23 ILE B 36 0.872 -9.790 -1.973 1.00 5.67 H new ATOM 0 HD11 ILE B 36 2.376 -9.616 2.116 1.00 5.35 H new ATOM 0 HD12 ILE B 36 3.682 -8.928 1.122 1.00 5.35 H new ATOM 0 HD13 ILE B 36 1.991 -8.475 0.805 1.00 5.35 H new ATOM 1263 N PRO B 37 2.847 -11.258 -4.574 1.00 7.22 N ATOM 1264 CA PRO B 37 3.198 -10.909 -5.958 1.00 7.44 C ATOM 1265 C PRO B 37 3.451 -9.411 -6.131 1.00 6.84 C ATOM 1266 O PRO B 37 2.660 -8.588 -5.668 1.00 6.32 O ATOM 1267 CB PRO B 37 1.966 -11.338 -6.758 1.00 7.86 C ATOM 1268 CG PRO B 37 1.323 -12.394 -5.928 1.00 8.10 C ATOM 1269 CD PRO B 37 1.578 -12.007 -4.500 1.00 7.57 C ATOM 0 HA PRO B 37 4.120 -11.394 -6.279 1.00 7.44 H new ATOM 0 HB2 PRO B 37 1.290 -10.499 -6.924 1.00 7.86 H new ATOM 0 HB3 PRO B 37 2.245 -11.721 -7.739 1.00 7.86 H new ATOM 0 HG2 PRO B 37 0.254 -12.454 -6.132 1.00 8.10 H new ATOM 0 HG3 PRO B 37 1.745 -13.375 -6.148 1.00 8.10 H new ATOM 0 HD2 PRO B 37 0.771 -11.393 -4.099 1.00 7.57 H new ATOM 0 HD3 PRO B 37 1.664 -12.882 -3.855 1.00 7.57 H new ATOM 1277 N PRO B 38 4.568 -9.044 -6.785 1.00 6.95 N ATOM 1278 CA PRO B 38 4.944 -7.641 -7.024 1.00 6.54 C ATOM 1279 C PRO B 38 3.822 -6.797 -7.632 1.00 6.45 C ATOM 1280 O PRO B 38 3.675 -5.619 -7.304 1.00 5.97 O ATOM 1281 CB PRO B 38 6.112 -7.750 -8.003 1.00 7.04 C ATOM 1282 CG PRO B 38 6.715 -9.080 -7.721 1.00 7.43 C ATOM 1283 CD PRO B 38 5.572 -9.977 -7.332 1.00 7.57 C ATOM 0 HA PRO B 38 5.184 -7.136 -6.088 1.00 6.54 H new ATOM 0 HB2 PRO B 38 5.771 -7.680 -9.036 1.00 7.04 H new ATOM 0 HB3 PRO B 38 6.833 -6.947 -7.850 1.00 7.04 H new ATOM 0 HG2 PRO B 38 7.234 -9.467 -8.598 1.00 7.43 H new ATOM 0 HG3 PRO B 38 7.450 -9.013 -6.919 1.00 7.43 H new ATOM 0 HD2 PRO B 38 5.184 -10.526 -8.190 1.00 7.57 H new ATOM 0 HD3 PRO B 38 5.877 -10.717 -6.592 1.00 7.57 H new ATOM 1291 N ASP B 39 3.033 -7.400 -8.515 1.00 6.95 N ATOM 1292 CA ASP B 39 1.925 -6.695 -9.165 1.00 6.96 C ATOM 1293 C ASP B 39 0.847 -6.313 -8.154 1.00 6.32 C ATOM 1294 O ASP B 39 0.182 -5.283 -8.291 1.00 6.07 O ATOM 1295 CB ASP B 39 1.319 -7.565 -10.268 1.00 7.65 C ATOM 1296 CG ASP B 39 0.008 -7.020 -10.800 1.00 7.66 C ATOM 1297 OD1 ASP B 39 0.030 -6.024 -11.551 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -1.055 -7.590 -10.470 1.00 7.79 O ATOM 0 H ASP B 39 3.137 -8.374 -8.799 1.00 6.95 H new ATOM 0 HA ASP B 39 2.321 -5.780 -9.606 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.031 -7.649 -11.089 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.158 -8.571 -9.882 1.00 7.65 H new ATOM 1303 N GLN B 40 0.691 -7.140 -7.131 1.00 6.12 N ATOM 1304 CA GLN B 40 -0.305 -6.902 -6.098 1.00 5.59 C ATOM 1305 C GLN B 40 0.235 -5.957 -5.038 1.00 4.88 C ATOM 1306 O GLN B 40 -0.517 -5.440 -4.212 1.00 4.41 O ATOM 1307 CB GLN B 40 -0.721 -8.217 -5.441 1.00 5.92 C ATOM 1308 CG GLN B 40 -1.498 -9.142 -6.364 1.00 6.60 C ATOM 1309 CD GLN B 40 -1.904 -10.435 -5.685 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -2.032 -11.475 -6.330 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -2.116 -10.379 -4.379 1.00 6.80 N ATOM 0 H GLN B 40 1.245 -7.986 -6.994 1.00 6.12 H new ATOM 0 HA GLN B 40 -1.175 -6.446 -6.571 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.171 -8.735 -5.089 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -1.330 -7.998 -4.564 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -2.390 -8.628 -6.721 1.00 6.60 H new ATOM 0 HG3 GLN B 40 -0.890 -9.371 -7.239 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.999 -9.497 -3.881 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -2.396 -11.218 -3.871 1.00 6.80 H new ATOM 1320 N GLN B 41 1.541 -5.737 -5.067 1.00 4.86 N ATOM 1321 CA GLN B 41 2.189 -4.859 -4.107 1.00 4.24 C ATOM 1322 C GLN B 41 1.987 -3.400 -4.486 1.00 3.92 C ATOM 1323 O GLN B 41 2.787 -2.814 -5.216 1.00 4.35 O ATOM 1324 CB GLN B 41 3.683 -5.163 -4.019 1.00 4.48 C ATOM 1325 CG GLN B 41 4.004 -6.534 -3.455 1.00 4.79 C ATOM 1326 CD GLN B 41 5.491 -6.732 -3.258 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.211 -5.794 -2.931 1.00 4.46 O ATOM 1328 NE2 GLN B 41 5.964 -7.948 -3.465 1.00 5.46 N ATOM 0 H GLN B 41 2.174 -6.157 -5.748 1.00 4.86 H new ATOM 0 HA GLN B 41 1.732 -5.037 -3.133 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.119 -5.080 -5.015 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.161 -4.405 -3.398 1.00 4.48 H new ATOM 0 HG2 GLN B 41 3.492 -6.663 -2.502 1.00 4.79 H new ATOM 0 HG3 GLN B 41 3.622 -7.301 -4.128 1.00 4.79 H new ATOM 0 HE21 GLN B 41 5.332 -8.702 -3.736 1.00 5.46 H new ATOM 0 HE22 GLN B 41 6.961 -8.133 -3.354 1.00 5.46 H new ATOM 1337 N ARG B 42 0.907 -2.822 -4.000 1.00 3.29 N ATOM 1338 CA ARG B 42 0.599 -1.433 -4.275 1.00 3.09 C ATOM 1339 C ARG B 42 1.116 -0.563 -3.131 1.00 2.49 C ATOM 1340 O ARG B 42 0.350 -0.077 -2.295 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.910 -1.273 -4.470 1.00 2.97 C ATOM 1342 CG ARG B 42 -1.334 0.079 -5.012 1.00 3.22 C ATOM 1343 CD ARG B 42 -2.850 0.205 -5.047 1.00 3.19 C ATOM 1344 NE ARG B 42 -3.279 1.508 -5.545 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.364 2.604 -4.798 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -3.102 2.552 -3.495 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.733 3.749 -5.354 1.00 3.59 N ATOM 0 H ARG B 42 0.224 -3.296 -3.409 1.00 3.29 H new ATOM 0 HA ARG B 42 1.091 -1.111 -5.193 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -1.260 -2.049 -5.151 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -1.407 -1.439 -3.514 1.00 2.97 H new ATOM 0 HG2 ARG B 42 -0.915 0.871 -4.391 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.932 0.214 -6.016 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -3.264 -0.579 -5.680 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -3.250 0.050 -4.045 1.00 3.19 H new ATOM 0 HE ARG B 42 -3.530 1.582 -6.531 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -2.834 1.667 -3.064 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -3.169 3.397 -2.927 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -3.950 3.786 -6.350 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -3.800 4.594 -4.786 1.00 3.59 H new ATOM 1361 N LEU B 43 2.434 -0.409 -3.088 1.00 2.72 N ATOM 1362 CA LEU B 43 3.091 0.381 -2.054 1.00 2.34 C ATOM 1363 C LEU B 43 2.861 1.871 -2.269 1.00 2.51 C ATOM 1364 O LEU B 43 3.181 2.415 -3.328 1.00 3.16 O ATOM 1365 CB LEU B 43 4.591 0.090 -2.038 1.00 2.69 C ATOM 1366 CG LEU B 43 4.973 -1.335 -1.641 1.00 2.62 C ATOM 1367 CD1 LEU B 43 5.892 -1.955 -2.680 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.638 -1.343 -0.275 1.00 2.03 C ATOM 0 H LEU B 43 3.074 -0.825 -3.764 1.00 2.72 H new ATOM 0 HA LEU B 43 2.657 0.100 -1.094 1.00 2.34 H new ATOM 0 HB2 LEU B 43 4.995 0.295 -3.029 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.072 0.784 -1.348 1.00 2.69 H new ATOM 0 HG LEU B 43 4.062 -1.932 -1.590 1.00 2.62 H new ATOM 0 HD11 LEU B 43 6.151 -2.969 -2.377 1.00 3.19 H new ATOM 0 HD12 LEU B 43 5.385 -1.983 -3.644 1.00 3.19 H new ATOM 0 HD13 LEU B 43 6.800 -1.358 -2.765 1.00 3.19 H new ATOM 0 HD21 LEU B 43 5.904 -2.365 -0.006 1.00 2.03 H new ATOM 0 HD22 LEU B 43 6.538 -0.729 -0.305 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.949 -0.940 0.467 1.00 2.03 H new ATOM 1380 N ILE B 44 2.299 2.525 -1.263 1.00 2.10 N ATOM 1381 CA ILE B 44 2.024 3.951 -1.340 1.00 2.55 C ATOM 1382 C ILE B 44 2.642 4.689 -0.155 1.00 2.73 C ATOM 1383 O ILE B 44 2.667 4.176 0.965 1.00 2.37 O ATOM 1384 CB ILE B 44 0.505 4.234 -1.374 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.210 3.262 -2.321 1.00 2.20 C ATOM 1386 CG2 ILE B 44 0.240 5.674 -1.793 1.00 3.04 C ATOM 1387 CD1 ILE B 44 0.112 3.482 -3.783 1.00 2.92 C ATOM 0 H ILE B 44 2.024 2.089 -0.383 1.00 2.10 H new ATOM 0 HA ILE B 44 2.471 4.312 -2.267 1.00 2.55 H new ATOM 0 HB ILE B 44 0.109 4.085 -0.369 1.00 2.35 H new ATOM 0 HG12 ILE B 44 0.059 2.241 -2.049 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.286 3.356 -2.178 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -0.835 5.856 -1.812 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.710 6.352 -1.081 1.00 3.04 H new ATOM 0 HG23 ILE B 44 0.654 5.846 -2.786 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.431 2.756 -4.388 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.183 4.490 -4.073 1.00 2.92 H new ATOM 0 HD13 ILE B 44 1.183 3.358 -3.942 1.00 2.92 H new ATOM 1399 N PHE B 45 3.147 5.887 -0.414 1.00 3.41 N ATOM 1400 CA PHE B 45 3.753 6.702 0.623 1.00 3.75 C ATOM 1401 C PHE B 45 2.950 7.987 0.828 1.00 4.37 C ATOM 1402 O PHE B 45 3.180 8.989 0.148 1.00 4.85 O ATOM 1403 CB PHE B 45 5.206 7.027 0.262 1.00 3.98 C ATOM 1404 CG PHE B 45 5.947 7.788 1.327 1.00 4.33 C ATOM 1405 CD1 PHE B 45 5.968 7.333 2.637 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.626 8.956 1.017 1.00 5.00 C ATOM 1407 CE1 PHE B 45 6.654 8.029 3.616 1.00 4.54 C ATOM 1408 CE2 PHE B 45 7.311 9.655 1.990 1.00 5.37 C ATOM 1409 CZ PHE B 45 7.325 9.192 3.292 1.00 5.14 C ATOM 0 H PHE B 45 3.148 6.316 -1.340 1.00 3.41 H new ATOM 0 HA PHE B 45 3.746 6.140 1.557 1.00 3.75 H new ATOM 0 HB2 PHE B 45 5.736 6.096 0.060 1.00 3.98 H new ATOM 0 HB3 PHE B 45 5.219 7.608 -0.660 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.443 6.425 2.896 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.619 9.324 0.001 1.00 5.00 H new ATOM 0 HE1 PHE B 45 6.665 7.664 4.632 1.00 4.54 H new ATOM 0 HE2 PHE B 45 7.836 10.563 1.734 1.00 5.37 H new ATOM 0 HZ PHE B 45 7.860 9.739 4.055 1.00 5.14 H new ATOM 1419 N ALA B 46 1.983 7.922 1.742 1.00 4.47 N ATOM 1420 CA ALA B 46 1.127 9.062 2.081 1.00 5.11 C ATOM 1421 C ALA B 46 0.456 9.666 0.847 1.00 5.25 C ATOM 1422 O ALA B 46 0.449 10.883 0.661 1.00 5.80 O ATOM 1423 CB ALA B 46 1.930 10.120 2.829 1.00 5.68 C ATOM 0 H ALA B 46 1.769 7.076 2.270 1.00 4.47 H new ATOM 0 HA ALA B 46 0.332 8.694 2.729 1.00 5.11 H new ATOM 0 HB1 ALA B 46 1.283 10.962 3.075 1.00 5.68 H new ATOM 0 HB2 ALA B 46 2.332 9.691 3.747 1.00 5.68 H new ATOM 0 HB3 ALA B 46 2.751 10.465 2.201 1.00 5.68 H new ATOM 1429 N GLY B 47 -0.100 8.814 0.002 1.00 4.86 N ATOM 1430 CA GLY B 47 -0.773 9.296 -1.190 1.00 5.04 C ATOM 1431 C GLY B 47 0.086 9.192 -2.435 1.00 5.20 C ATOM 1432 O GLY B 47 -0.431 9.102 -3.546 1.00 5.50 O ATOM 0 H GLY B 47 -0.099 7.800 0.117 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -1.690 8.726 -1.339 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -1.064 10.336 -1.041 1.00 5.04 H new ATOM 1436 N LYS B 48 1.399 9.211 -2.259 1.00 5.13 N ATOM 1437 CA LYS B 48 2.312 9.110 -3.387 1.00 5.44 C ATOM 1438 C LYS B 48 2.546 7.651 -3.744 1.00 4.89 C ATOM 1439 O LYS B 48 3.116 6.896 -2.956 1.00 4.41 O ATOM 1440 CB LYS B 48 3.643 9.795 -3.072 1.00 6.05 C ATOM 1441 CG LYS B 48 3.604 11.309 -3.217 1.00 6.75 C ATOM 1442 CD LYS B 48 4.995 11.921 -3.115 1.00 7.32 C ATOM 1443 CE LYS B 48 5.469 12.015 -1.673 1.00 7.40 C ATOM 1444 NZ LYS B 48 4.901 13.201 -0.980 1.00 7.95 N ATOM 0 H LYS B 48 1.854 9.295 -1.350 1.00 5.13 H new ATOM 0 HA LYS B 48 1.859 9.616 -4.240 1.00 5.44 H new ATOM 0 HB2 LYS B 48 3.938 9.544 -2.053 1.00 6.05 H new ATOM 0 HB3 LYS B 48 4.412 9.396 -3.733 1.00 6.05 H new ATOM 0 HG2 LYS B 48 3.161 11.571 -4.178 1.00 6.75 H new ATOM 0 HG3 LYS B 48 2.963 11.732 -2.444 1.00 6.75 H new ATOM 0 HD2 LYS B 48 5.699 11.320 -3.690 1.00 7.32 H new ATOM 0 HD3 LYS B 48 4.987 12.916 -3.560 1.00 7.32 H new ATOM 0 HE2 LYS B 48 5.183 11.110 -1.137 1.00 7.40 H new ATOM 0 HE3 LYS B 48 6.557 12.068 -1.651 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 5.248 13.230 0.000 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 5.194 14.067 -1.476 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 3.863 13.138 -0.978 1.00 7.95 H new ATOM 1458 N GLN B 49 2.088 7.253 -4.924 1.00 5.05 N ATOM 1459 CA GLN B 49 2.250 5.881 -5.386 1.00 4.73 C ATOM 1460 C GLN B 49 3.695 5.629 -5.788 1.00 5.12 C ATOM 1461 O GLN B 49 4.255 6.362 -6.603 1.00 5.81 O ATOM 1462 CB GLN B 49 1.313 5.598 -6.563 1.00 4.93 C ATOM 1463 CG GLN B 49 1.397 4.170 -7.086 1.00 4.85 C ATOM 1464 CD GLN B 49 0.223 3.794 -7.969 1.00 5.12 C ATOM 1465 OE1 GLN B 49 0.362 3.002 -8.904 1.00 5.27 O ATOM 1466 NE2 GLN B 49 -0.945 4.343 -7.673 1.00 5.36 N ATOM 0 H GLN B 49 1.600 7.863 -5.580 1.00 5.05 H new ATOM 0 HA GLN B 49 1.991 5.207 -4.570 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.287 5.803 -6.256 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.546 6.287 -7.375 1.00 4.93 H new ATOM 0 HG2 GLN B 49 2.322 4.049 -7.649 1.00 4.85 H new ATOM 0 HG3 GLN B 49 1.445 3.482 -6.242 1.00 4.85 H new ATOM 0 HE21 GLN B 49 -1.019 4.994 -6.891 1.00 5.36 H new ATOM 0 HE22 GLN B 49 -1.771 4.115 -8.227 1.00 5.36 H new ATOM 1475 N LEU B 50 4.289 4.592 -5.218 1.00 4.71 N ATOM 1476 CA LEU B 50 5.672 4.250 -5.505 1.00 5.07 C ATOM 1477 C LEU B 50 5.786 3.517 -6.839 1.00 5.51 C ATOM 1478 O LEU B 50 5.335 2.379 -6.980 1.00 5.29 O ATOM 1479 CB LEU B 50 6.252 3.393 -4.375 1.00 4.53 C ATOM 1480 CG LEU B 50 6.075 3.959 -2.961 1.00 4.10 C ATOM 1481 CD1 LEU B 50 6.736 3.052 -1.937 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.643 5.367 -2.870 1.00 4.69 C ATOM 0 H LEU B 50 3.832 3.970 -4.551 1.00 4.71 H new ATOM 0 HA LEU B 50 6.245 5.175 -5.575 1.00 5.07 H new ATOM 0 HB2 LEU B 50 5.787 2.408 -4.414 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.317 3.251 -4.560 1.00 4.53 H new ATOM 0 HG LEU B 50 5.008 4.006 -2.743 1.00 4.10 H new ATOM 0 HD11 LEU B 50 6.600 3.470 -0.939 1.00 3.66 H new ATOM 0 HD12 LEU B 50 6.282 2.062 -1.981 1.00 3.66 H new ATOM 0 HD13 LEU B 50 7.801 2.973 -2.155 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.507 5.750 -1.858 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.706 5.347 -3.110 1.00 4.69 H new ATOM 0 HD23 LEU B 50 6.124 6.015 -3.576 1.00 4.69 H new ATOM 1494 N GLU B 51 6.376 4.192 -7.813 1.00 6.21 N ATOM 1495 CA GLU B 51 6.567 3.634 -9.145 1.00 6.75 C ATOM 1496 C GLU B 51 7.753 2.670 -9.159 1.00 6.81 C ATOM 1497 O GLU B 51 8.799 2.957 -8.578 1.00 6.81 O ATOM 1498 CB GLU B 51 6.784 4.771 -10.147 1.00 7.48 C ATOM 1499 CG GLU B 51 7.150 4.319 -11.552 1.00 8.08 C ATOM 1500 CD GLU B 51 7.612 5.470 -12.421 1.00 8.74 C ATOM 1501 OE1 GLU B 51 6.763 6.287 -12.834 1.00 9.03 O ATOM 1502 OE2 GLU B 51 8.830 5.580 -12.683 1.00 9.08 O ATOM 0 H GLU B 51 6.736 5.140 -7.704 1.00 6.21 H new ATOM 0 HA GLU B 51 5.676 3.073 -9.429 1.00 6.75 H new ATOM 0 HB2 GLU B 51 5.875 5.370 -10.198 1.00 7.48 H new ATOM 0 HB3 GLU B 51 7.574 5.422 -9.772 1.00 7.48 H new ATOM 0 HG2 GLU B 51 7.939 3.569 -11.497 1.00 8.08 H new ATOM 0 HG3 GLU B 51 6.287 3.841 -12.014 1.00 8.08 H new ATOM 1509 N ASP B 52 7.578 1.538 -9.832 1.00 6.95 N ATOM 1510 CA ASP B 52 8.612 0.503 -9.929 1.00 7.11 C ATOM 1511 C ASP B 52 9.956 1.066 -10.393 1.00 7.68 C ATOM 1512 O ASP B 52 10.999 0.756 -9.816 1.00 7.65 O ATOM 1513 CB ASP B 52 8.170 -0.597 -10.899 1.00 7.41 C ATOM 1514 CG ASP B 52 7.163 -1.556 -10.294 1.00 6.92 C ATOM 1515 OD1 ASP B 52 6.080 -1.102 -9.868 1.00 6.71 O ATOM 1516 OD2 ASP B 52 7.435 -2.775 -10.264 1.00 6.84 O ATOM 0 H ASP B 52 6.717 1.308 -10.327 1.00 6.95 H new ATOM 0 HA ASP B 52 8.744 0.094 -8.928 1.00 7.11 H new ATOM 0 HB2 ASP B 52 7.736 -0.137 -11.787 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.046 -1.158 -11.226 1.00 7.41 H new ATOM 1521 N GLY B 53 9.920 1.903 -11.424 1.00 8.21 N ATOM 1522 CA GLY B 53 11.137 2.477 -11.972 1.00 8.81 C ATOM 1523 C GLY B 53 11.658 3.669 -11.197 1.00 8.72 C ATOM 1524 O GLY B 53 12.587 4.343 -11.643 1.00 9.22 O ATOM 0 H GLY B 53 9.063 2.196 -11.894 1.00 8.21 H new ATOM 0 HA2 GLY B 53 11.909 1.708 -11.999 1.00 8.81 H new ATOM 0 HA3 GLY B 53 10.952 2.779 -13.003 1.00 8.81 H new ATOM 1528 N ARG B 54 11.069 3.939 -10.046 1.00 8.14 N ATOM 1529 CA ARG B 54 11.499 5.055 -9.222 1.00 8.09 C ATOM 1530 C ARG B 54 12.334 4.558 -8.057 1.00 7.60 C ATOM 1531 O ARG B 54 12.211 3.406 -7.635 1.00 7.21 O ATOM 1532 CB ARG B 54 10.299 5.847 -8.697 1.00 7.88 C ATOM 1533 CG ARG B 54 9.663 6.767 -9.723 1.00 8.41 C ATOM 1534 CD ARG B 54 10.680 7.698 -10.356 1.00 9.15 C ATOM 1535 NE ARG B 54 11.033 7.273 -11.709 1.00 9.64 N ATOM 1536 CZ ARG B 54 12.105 7.706 -12.371 1.00 10.23 C ATOM 1537 NH1 ARG B 54 12.940 8.571 -11.802 1.00 10.39 N ATOM 1538 NH2 ARG B 54 12.340 7.273 -13.602 1.00 10.70 N ATOM 0 H ARG B 54 10.292 3.402 -9.661 1.00 8.14 H new ATOM 0 HA ARG B 54 12.104 5.716 -9.843 1.00 8.09 H new ATOM 0 HB2 ARG B 54 9.545 5.147 -8.337 1.00 7.88 H new ATOM 0 HB3 ARG B 54 10.617 6.441 -7.840 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.185 6.170 -10.499 1.00 8.41 H new ATOM 0 HG3 ARG B 54 8.879 7.356 -9.246 1.00 8.41 H new ATOM 0 HD2 ARG B 54 10.277 8.710 -10.386 1.00 9.15 H new ATOM 0 HD3 ARG B 54 11.578 7.730 -9.739 1.00 9.15 H new ATOM 0 HE ARG B 54 10.421 6.604 -12.175 1.00 9.64 H new ATOM 0 HH11 ARG B 54 12.761 8.905 -10.855 1.00 10.39 H new ATOM 0 HH12 ARG B 54 13.760 8.900 -12.312 1.00 10.39 H new ATOM 0 HH21 ARG B 54 11.701 6.610 -14.040 1.00 10.70 H new ATOM 0 HH22 ARG B 54 13.160 7.603 -14.111 1.00 10.70 H new ATOM 1552 N THR B 55 13.186 5.426 -7.546 1.00 7.68 N ATOM 1553 CA THR B 55 14.038 5.082 -6.425 1.00 7.27 C ATOM 1554 C THR B 55 13.427 5.593 -5.128 1.00 6.76 C ATOM 1555 O THR B 55 12.539 6.451 -5.150 1.00 6.83 O ATOM 1556 CB THR B 55 15.455 5.667 -6.592 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.380 7.070 -6.884 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.212 4.953 -7.703 1.00 8.15 C ATOM 0 H THR B 55 13.306 6.378 -7.891 1.00 7.68 H new ATOM 0 HA THR B 55 14.118 3.995 -6.391 1.00 7.27 H new ATOM 0 HB THR B 55 15.993 5.520 -5.655 1.00 7.75 H new ATOM 0 HG1 THR B 55 14.899 7.203 -7.727 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.208 5.385 -7.800 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.298 3.893 -7.462 1.00 8.15 H new ATOM 0 HG23 THR B 55 15.673 5.069 -8.643 1.00 8.15 H new ATOM 1566 N LEU B 56 13.891 5.069 -4.006 1.00 6.30 N ATOM 1567 CA LEU B 56 13.386 5.492 -2.707 1.00 5.87 C ATOM 1568 C LEU B 56 13.757 6.948 -2.440 1.00 6.39 C ATOM 1569 O LEU B 56 13.100 7.642 -1.662 1.00 6.35 O ATOM 1570 CB LEU B 56 13.940 4.589 -1.607 1.00 5.35 C ATOM 1571 CG LEU B 56 13.433 3.146 -1.646 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.567 2.173 -1.376 1.00 4.55 C ATOM 1573 CD2 LEU B 56 12.314 2.948 -0.635 1.00 4.34 C ATOM 0 H LEU B 56 14.615 4.351 -3.966 1.00 6.30 H new ATOM 0 HA LEU B 56 12.299 5.409 -2.711 1.00 5.87 H new ATOM 0 HB2 LEU B 56 15.028 4.579 -1.678 1.00 5.35 H new ATOM 0 HB3 LEU B 56 13.687 5.022 -0.639 1.00 5.35 H new ATOM 0 HG LEU B 56 13.040 2.948 -2.643 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.186 1.152 -1.408 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.340 2.296 -2.135 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.990 2.372 -0.391 1.00 4.55 H new ATOM 0 HD21 LEU B 56 11.965 1.916 -0.676 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.686 3.166 0.366 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.488 3.620 -0.870 1.00 4.34 H new ATOM 1585 N SER B 57 14.810 7.409 -3.098 1.00 6.96 N ATOM 1586 CA SER B 57 15.270 8.777 -2.951 1.00 7.54 C ATOM 1587 C SER B 57 14.420 9.727 -3.797 1.00 7.98 C ATOM 1588 O SER B 57 14.420 10.939 -3.578 1.00 8.39 O ATOM 1589 CB SER B 57 16.740 8.868 -3.362 1.00 8.01 C ATOM 1590 OG SER B 57 17.072 7.829 -4.272 1.00 7.91 O ATOM 0 H SER B 57 15.365 6.848 -3.744 1.00 6.96 H new ATOM 0 HA SER B 57 15.170 9.074 -1.907 1.00 7.54 H new ATOM 0 HB2 SER B 57 16.935 9.837 -3.822 1.00 8.01 H new ATOM 0 HB3 SER B 57 17.375 8.801 -2.478 1.00 8.01 H new ATOM 0 HG SER B 57 17.291 7.015 -3.773 1.00 7.91 H new ATOM 1596 N ASP B 58 13.680 9.163 -4.749 1.00 7.94 N ATOM 1597 CA ASP B 58 12.826 9.955 -5.634 1.00 8.36 C ATOM 1598 C ASP B 58 11.663 10.570 -4.870 1.00 8.11 C ATOM 1599 O ASP B 58 11.231 11.683 -5.168 1.00 8.57 O ATOM 1600 CB ASP B 58 12.283 9.096 -6.783 1.00 8.35 C ATOM 1601 CG ASP B 58 13.200 9.089 -7.990 1.00 8.93 C ATOM 1602 OD1 ASP B 58 13.642 10.178 -8.413 1.00 9.53 O ATOM 1603 OD2 ASP B 58 13.484 7.992 -8.520 1.00 8.85 O ATOM 0 H ASP B 58 13.654 8.159 -4.928 1.00 7.94 H new ATOM 0 HA ASP B 58 13.440 10.756 -6.045 1.00 8.36 H new ATOM 0 HB2 ASP B 58 12.143 8.074 -6.432 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.302 9.469 -7.079 1.00 8.35 H new ATOM 1608 N TYR B 59 11.166 9.845 -3.879 1.00 7.43 N ATOM 1609 CA TYR B 59 10.044 10.319 -3.078 1.00 7.20 C ATOM 1610 C TYR B 59 10.519 10.866 -1.740 1.00 7.19 C ATOM 1611 O TYR B 59 9.710 11.102 -0.844 1.00 6.99 O ATOM 1612 CB TYR B 59 9.045 9.186 -2.845 1.00 6.47 C ATOM 1613 CG TYR B 59 8.513 8.574 -4.120 1.00 6.52 C ATOM 1614 CD1 TYR B 59 7.493 9.186 -4.838 1.00 6.55 C ATOM 1615 CD2 TYR B 59 9.038 7.384 -4.610 1.00 6.66 C ATOM 1616 CE1 TYR B 59 7.009 8.629 -6.004 1.00 6.65 C ATOM 1617 CE2 TYR B 59 8.560 6.822 -5.776 1.00 6.81 C ATOM 1618 CZ TYR B 59 7.546 7.449 -6.469 1.00 6.77 C ATOM 1619 OH TYR B 59 7.068 6.893 -7.631 1.00 6.97 O ATOM 0 H TYR B 59 11.520 8.927 -3.609 1.00 7.43 H new ATOM 0 HA TYR B 59 9.556 11.124 -3.627 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.524 8.408 -2.251 1.00 6.47 H new ATOM 0 HB3 TYR B 59 8.209 9.566 -2.258 1.00 6.47 H new ATOM 0 HD1 TYR B 59 7.072 10.113 -4.478 1.00 6.55 H new ATOM 0 HD2 TYR B 59 9.833 6.891 -4.070 1.00 6.66 H new ATOM 0 HE1 TYR B 59 6.214 9.116 -6.549 1.00 6.65 H new ATOM 0 HE2 TYR B 59 8.978 5.896 -6.144 1.00 6.81 H new ATOM 0 HH TYR B 59 6.095 7.003 -7.670 1.00 6.97 H new ATOM 1629 N ASN B 60 11.831 11.061 -1.617 1.00 7.47 N ATOM 1630 CA ASN B 60 12.434 11.583 -0.388 1.00 7.55 C ATOM 1631 C ASN B 60 12.056 10.712 0.810 1.00 6.85 C ATOM 1632 O ASN B 60 11.656 11.207 1.863 1.00 6.88 O ATOM 1633 CB ASN B 60 12.004 13.041 -0.164 1.00 8.14 C ATOM 1634 CG ASN B 60 12.863 13.767 0.855 1.00 8.48 C ATOM 1635 OD1 ASN B 60 12.447 13.994 1.990 1.00 8.51 O ATOM 1636 ND2 ASN B 60 14.068 14.140 0.457 1.00 8.82 N ATOM 0 H ASN B 60 12.503 10.864 -2.359 1.00 7.47 H new ATOM 0 HA ASN B 60 13.519 11.557 -0.493 1.00 7.55 H new ATOM 0 HB2 ASN B 60 12.047 13.576 -1.113 1.00 8.14 H new ATOM 0 HB3 ASN B 60 10.965 13.060 0.166 1.00 8.14 H new ATOM 0 HD21 ASN B 60 14.687 14.634 1.100 1.00 8.82 H new ATOM 0 HD22 ASN B 60 14.378 13.934 -0.493 1.00 8.82 H new ATOM 1643 N ILE B 61 12.176 9.404 0.637 1.00 6.28 N ATOM 1644 CA ILE B 61 11.849 8.467 1.698 1.00 5.59 C ATOM 1645 C ILE B 61 13.058 8.240 2.597 1.00 5.56 C ATOM 1646 O ILE B 61 14.036 7.605 2.197 1.00 5.56 O ATOM 1647 CB ILE B 61 11.372 7.114 1.128 1.00 4.98 C ATOM 1648 CG1 ILE B 61 10.197 7.325 0.170 1.00 5.03 C ATOM 1649 CG2 ILE B 61 10.974 6.173 2.256 1.00 4.29 C ATOM 1650 CD1 ILE B 61 9.820 6.087 -0.617 1.00 4.62 C ATOM 0 H ILE B 61 12.497 8.969 -0.228 1.00 6.28 H new ATOM 0 HA ILE B 61 11.037 8.902 2.281 1.00 5.59 H new ATOM 0 HB ILE B 61 12.195 6.662 0.574 1.00 4.98 H new ATOM 0 HG12 ILE B 61 9.331 7.659 0.741 1.00 5.03 H new ATOM 0 HG13 ILE B 61 10.448 8.125 -0.527 1.00 5.03 H new ATOM 0 HG21 ILE B 61 10.640 5.224 1.837 1.00 4.29 H new ATOM 0 HG22 ILE B 61 11.832 6.001 2.906 1.00 4.29 H new ATOM 0 HG23 ILE B 61 10.165 6.619 2.834 1.00 4.29 H new ATOM 0 HD11 ILE B 61 8.980 6.315 -1.273 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.671 5.763 -1.216 1.00 4.62 H new ATOM 0 HD13 ILE B 61 9.537 5.291 0.071 1.00 4.62 H new ATOM 1662 N GLN B 62 12.987 8.770 3.809 1.00 5.63 N ATOM 1663 CA GLN B 62 14.069 8.637 4.771 1.00 5.66 C ATOM 1664 C GLN B 62 13.963 7.319 5.529 1.00 5.00 C ATOM 1665 O GLN B 62 13.123 6.471 5.220 1.00 4.51 O ATOM 1666 CB GLN B 62 14.044 9.809 5.754 1.00 6.23 C ATOM 1667 CG GLN B 62 14.406 11.146 5.128 1.00 6.94 C ATOM 1668 CD GLN B 62 14.226 12.313 6.084 1.00 7.54 C ATOM 1669 OE1 GLN B 62 13.984 13.446 5.664 1.00 8.05 O ATOM 1670 NE2 GLN B 62 14.335 12.047 7.378 1.00 7.56 N ATOM 0 H GLN B 62 12.185 9.300 4.151 1.00 5.63 H new ATOM 0 HA GLN B 62 15.013 8.645 4.227 1.00 5.66 H new ATOM 0 HB2 GLN B 62 13.049 9.882 6.192 1.00 6.23 H new ATOM 0 HB3 GLN B 62 14.737 9.601 6.569 1.00 6.23 H new ATOM 0 HG2 GLN B 62 15.442 11.115 4.791 1.00 6.94 H new ATOM 0 HG3 GLN B 62 13.788 11.307 4.245 1.00 6.94 H new ATOM 0 HE21 GLN B 62 14.536 11.096 7.688 1.00 7.56 H new ATOM 0 HE22 GLN B 62 14.218 12.793 8.064 1.00 7.56 H new ATOM 1679 N LYS B 63 14.820 7.151 6.523 1.00 5.05 N ATOM 1680 CA LYS B 63 14.824 5.946 7.332 1.00 4.56 C ATOM 1681 C LYS B 63 13.650 5.955 8.307 1.00 4.55 C ATOM 1682 O LYS B 63 13.102 7.017 8.616 1.00 5.02 O ATOM 1683 CB LYS B 63 16.142 5.831 8.101 1.00 4.73 C ATOM 1684 CG LYS B 63 16.380 6.973 9.076 1.00 5.32 C ATOM 1685 CD LYS B 63 17.794 6.954 9.627 1.00 5.47 C ATOM 1686 CE LYS B 63 17.944 7.906 10.802 1.00 6.08 C ATOM 1687 NZ LYS B 63 17.427 7.316 12.064 1.00 6.18 N ATOM 0 H LYS B 63 15.525 7.839 6.789 1.00 5.05 H new ATOM 0 HA LYS B 63 14.723 5.085 6.671 1.00 4.56 H new ATOM 0 HB2 LYS B 63 16.152 4.889 8.649 1.00 4.73 H new ATOM 0 HB3 LYS B 63 16.966 5.795 7.389 1.00 4.73 H new ATOM 0 HG2 LYS B 63 16.197 7.924 8.575 1.00 5.32 H new ATOM 0 HG3 LYS B 63 15.668 6.904 9.898 1.00 5.32 H new ATOM 0 HD2 LYS B 63 18.050 5.942 9.942 1.00 5.47 H new ATOM 0 HD3 LYS B 63 18.496 7.231 8.841 1.00 5.47 H new ATOM 0 HE2 LYS B 63 18.995 8.166 10.927 1.00 6.08 H new ATOM 0 HE3 LYS B 63 17.410 8.832 10.589 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 17.850 7.809 12.876 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 16.393 7.418 12.097 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 17.676 6.307 12.103 1.00 6.18 H new ATOM 1701 N GLU B 64 13.262 4.768 8.761 1.00 4.12 N ATOM 1702 CA GLU B 64 12.162 4.599 9.713 1.00 4.23 C ATOM 1703 C GLU B 64 10.817 5.054 9.136 1.00 4.21 C ATOM 1704 O GLU B 64 9.847 5.225 9.875 1.00 4.54 O ATOM 1705 CB GLU B 64 12.452 5.346 11.020 1.00 4.87 C ATOM 1706 CG GLU B 64 13.525 4.692 11.875 1.00 4.93 C ATOM 1707 CD GLU B 64 14.813 5.488 11.917 1.00 5.11 C ATOM 1708 OE1 GLU B 64 14.783 6.659 12.355 1.00 5.47 O ATOM 1709 OE2 GLU B 64 15.866 4.947 11.530 1.00 5.06 O ATOM 0 H GLU B 64 13.701 3.891 8.480 1.00 4.12 H new ATOM 0 HA GLU B 64 12.088 3.531 9.920 1.00 4.23 H new ATOM 0 HB2 GLU B 64 12.759 6.365 10.785 1.00 4.87 H new ATOM 0 HB3 GLU B 64 11.531 5.416 11.599 1.00 4.87 H new ATOM 0 HG2 GLU B 64 13.148 4.568 12.890 1.00 4.93 H new ATOM 0 HG3 GLU B 64 13.733 3.695 11.488 1.00 4.93 H new ATOM 1716 N SER B 65 10.751 5.233 7.825 1.00 3.91 N ATOM 1717 CA SER B 65 9.514 5.652 7.184 1.00 3.90 C ATOM 1718 C SER B 65 8.576 4.462 7.002 1.00 3.33 C ATOM 1719 O SER B 65 9.022 3.337 6.755 1.00 2.87 O ATOM 1720 CB SER B 65 9.805 6.309 5.835 1.00 4.00 C ATOM 1721 OG SER B 65 10.752 7.355 5.973 1.00 4.61 O ATOM 0 H SER B 65 11.535 5.095 7.187 1.00 3.91 H new ATOM 0 HA SER B 65 9.025 6.384 7.828 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.182 5.562 5.137 1.00 4.00 H new ATOM 0 HB3 SER B 65 8.881 6.703 5.412 1.00 4.00 H new ATOM 0 HG SER B 65 11.516 7.185 5.383 1.00 4.61 H new ATOM 1727 N THR B 66 7.283 4.708 7.142 1.00 3.44 N ATOM 1728 CA THR B 66 6.287 3.667 6.995 1.00 3.03 C ATOM 1729 C THR B 66 5.654 3.712 5.611 1.00 2.64 C ATOM 1730 O THR B 66 5.090 4.730 5.208 1.00 2.95 O ATOM 1731 CB THR B 66 5.176 3.800 8.052 1.00 3.54 C ATOM 1732 OG1 THR B 66 5.745 4.160 9.316 1.00 4.12 O ATOM 1733 CG2 THR B 66 4.403 2.497 8.194 1.00 3.37 C ATOM 0 H THR B 66 6.900 5.628 7.359 1.00 3.44 H new ATOM 0 HA THR B 66 6.800 2.715 7.133 1.00 3.03 H new ATOM 0 HB THR B 66 4.487 4.579 7.726 1.00 3.54 H new ATOM 0 HG1 THR B 66 5.032 4.245 9.983 1.00 4.12 H new ATOM 0 HG21 THR B 66 3.624 2.616 8.947 1.00 3.37 H new ATOM 0 HG22 THR B 66 3.948 2.238 7.238 1.00 3.37 H new ATOM 0 HG23 THR B 66 5.083 1.702 8.499 1.00 3.37 H new ATOM 1741 N LEU B 67 5.763 2.609 4.890 1.00 2.05 N ATOM 1742 CA LEU B 67 5.185 2.499 3.563 1.00 1.73 C ATOM 1743 C LEU B 67 3.924 1.658 3.650 1.00 1.35 C ATOM 1744 O LEU B 67 3.919 0.608 4.295 1.00 1.37 O ATOM 1745 CB LEU B 67 6.175 1.857 2.583 1.00 1.57 C ATOM 1746 CG LEU B 67 7.517 2.581 2.422 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.418 1.818 1.464 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.306 4.004 1.931 1.00 2.73 C ATOM 0 H LEU B 67 6.251 1.771 5.206 1.00 2.05 H new ATOM 0 HA LEU B 67 4.948 3.497 3.193 1.00 1.73 H new ATOM 0 HB2 LEU B 67 6.371 0.836 2.910 1.00 1.57 H new ATOM 0 HB3 LEU B 67 5.699 1.792 1.605 1.00 1.57 H new ATOM 0 HG LEU B 67 8.002 2.625 3.397 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.367 2.344 1.360 1.00 2.27 H new ATOM 0 HD12 LEU B 67 8.599 0.817 1.855 1.00 2.27 H new ATOM 0 HD13 LEU B 67 7.935 1.745 0.490 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.271 4.499 1.824 1.00 2.73 H new ATOM 0 HD22 LEU B 67 6.799 3.985 0.966 1.00 2.73 H new ATOM 0 HD23 LEU B 67 6.696 4.550 2.650 1.00 2.73 H new ATOM 1760 N HIS B 68 2.855 2.120 3.023 1.00 1.33 N ATOM 1761 CA HIS B 68 1.595 1.397 3.052 1.00 1.10 C ATOM 1762 C HIS B 68 1.548 0.359 1.947 1.00 0.56 C ATOM 1763 O HIS B 68 1.447 0.695 0.766 1.00 0.78 O ATOM 1764 CB HIS B 68 0.411 2.358 2.926 1.00 1.57 C ATOM 1765 CG HIS B 68 0.025 3.004 4.220 1.00 2.36 C ATOM 1766 ND1 HIS B 68 -0.679 4.186 4.294 1.00 2.80 N ATOM 1767 CD2 HIS B 68 0.245 2.620 5.499 1.00 3.18 C ATOM 1768 CE1 HIS B 68 -0.873 4.499 5.561 1.00 3.58 C ATOM 1769 NE2 HIS B 68 -0.321 3.568 6.310 1.00 3.83 N ATOM 0 H HIS B 68 2.834 2.989 2.490 1.00 1.33 H new ATOM 0 HA HIS B 68 1.523 0.887 4.013 1.00 1.10 H new ATOM 0 HB2 HIS B 68 0.659 3.134 2.202 1.00 1.57 H new ATOM 0 HB3 HIS B 68 -0.447 1.815 2.530 1.00 1.57 H new ATOM 0 HD1 HIS B 68 -1.000 4.733 3.495 1.00 2.80 H new ATOM 0 HD2 HIS B 68 0.769 1.732 5.820 1.00 3.18 H new ATOM 0 HE1 HIS B 68 -1.396 5.372 5.922 1.00 3.58 H new ATOM 1778 N LEU B 69 1.640 -0.902 2.337 1.00 0.85 N ATOM 1779 CA LEU B 69 1.608 -2.002 1.388 1.00 1.28 C ATOM 1780 C LEU B 69 0.169 -2.429 1.134 1.00 1.50 C ATOM 1781 O LEU B 69 -0.370 -3.307 1.815 1.00 1.96 O ATOM 1782 CB LEU B 69 2.450 -3.180 1.902 1.00 1.92 C ATOM 1783 CG LEU B 69 2.473 -4.424 1.001 1.00 2.60 C ATOM 1784 CD1 LEU B 69 2.877 -4.064 -0.422 1.00 2.68 C ATOM 1785 CD2 LEU B 69 3.420 -5.472 1.567 1.00 3.24 C ATOM 0 H LEU B 69 1.738 -1.190 3.311 1.00 0.85 H new ATOM 0 HA LEU B 69 2.039 -1.668 0.444 1.00 1.28 H new ATOM 0 HB2 LEU B 69 3.475 -2.836 2.042 1.00 1.92 H new ATOM 0 HB3 LEU B 69 2.074 -3.471 2.883 1.00 1.92 H new ATOM 0 HG LEU B 69 1.465 -4.837 0.974 1.00 2.60 H new ATOM 0 HD11 LEU B 69 2.885 -4.964 -1.037 1.00 2.68 H new ATOM 0 HD12 LEU B 69 2.164 -3.350 -0.833 1.00 2.68 H new ATOM 0 HD13 LEU B 69 3.872 -3.620 -0.416 1.00 2.68 H new ATOM 0 HD21 LEU B 69 3.425 -6.347 0.917 1.00 3.24 H new ATOM 0 HD22 LEU B 69 4.427 -5.059 1.626 1.00 3.24 H new ATOM 0 HD23 LEU B 69 3.088 -5.762 2.564 1.00 3.24 H new ATOM 1797 N VAL B 70 -0.457 -1.777 0.171 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.827 -2.080 -0.192 1.00 1.60 C ATOM 1799 C VAL B 70 -1.851 -3.309 -1.090 1.00 2.32 C ATOM 1800 O VAL B 70 -1.294 -3.297 -2.186 1.00 2.64 O ATOM 1801 CB VAL B 70 -2.499 -0.889 -0.918 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.967 -1.175 -1.201 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -2.345 0.388 -0.100 1.00 0.88 C ATOM 0 H VAL B 70 -0.033 -1.028 -0.377 1.00 1.39 H new ATOM 0 HA VAL B 70 -2.388 -2.273 0.723 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.997 -0.750 -1.876 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -4.412 -0.321 -1.711 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -4.050 -2.059 -1.833 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -4.491 -1.350 -0.262 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.823 1.216 -0.624 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.816 0.255 0.874 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -1.286 0.608 0.036 1.00 0.88 H new ATOM 1813 N LEU B 71 -2.465 -4.378 -0.613 1.00 2.72 N ATOM 1814 CA LEU B 71 -2.532 -5.608 -1.382 1.00 3.42 C ATOM 1815 C LEU B 71 -3.635 -5.539 -2.425 1.00 3.52 C ATOM 1816 O LEU B 71 -4.809 -5.738 -2.121 1.00 3.46 O ATOM 1817 CB LEU B 71 -2.745 -6.814 -0.469 1.00 3.93 C ATOM 1818 CG LEU B 71 -1.505 -7.686 -0.258 1.00 4.27 C ATOM 1819 CD1 LEU B 71 -0.486 -6.966 0.610 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -1.886 -9.021 0.359 1.00 4.99 C ATOM 0 H LEU B 71 -2.922 -4.419 0.298 1.00 2.72 H new ATOM 0 HA LEU B 71 -1.578 -5.728 -1.895 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -3.093 -6.460 0.502 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -3.540 -7.432 -0.886 1.00 3.93 H new ATOM 0 HG LEU B 71 -1.052 -7.877 -1.231 1.00 4.27 H new ATOM 0 HD11 LEU B 71 0.388 -7.602 0.748 1.00 4.40 H new ATOM 0 HD12 LEU B 71 -0.186 -6.037 0.124 1.00 4.40 H new ATOM 0 HD13 LEU B 71 -0.929 -6.741 1.580 1.00 4.40 H new ATOM 0 HD21 LEU B 71 -0.990 -9.625 0.500 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -2.366 -8.853 1.323 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -2.576 -9.544 -0.303 1.00 4.99 H new ATOM 1832 N ARG B 72 -3.249 -5.246 -3.652 1.00 3.80 N ATOM 1833 CA ARG B 72 -4.200 -5.164 -4.744 1.00 4.03 C ATOM 1834 C ARG B 72 -4.434 -6.552 -5.330 1.00 4.67 C ATOM 1835 O ARG B 72 -3.907 -6.898 -6.394 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.697 -4.198 -5.817 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.692 -3.942 -6.940 1.00 4.52 C ATOM 1838 CD ARG B 72 -4.143 -2.935 -7.937 1.00 4.87 C ATOM 1839 NE ARG B 72 -2.755 -3.221 -8.290 1.00 5.41 N ATOM 1840 CZ ARG B 72 -1.838 -2.284 -8.520 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -2.177 -0.996 -8.513 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -0.582 -2.633 -8.768 1.00 6.44 N ATOM 0 H ARG B 72 -2.282 -5.061 -3.918 1.00 3.80 H new ATOM 0 HA ARG B 72 -5.148 -4.782 -4.364 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -3.445 -3.248 -5.346 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.777 -4.595 -6.245 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -4.918 -4.878 -7.451 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -5.629 -3.572 -6.523 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -4.756 -2.945 -8.838 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -4.211 -1.932 -7.515 1.00 4.87 H new ATOM 0 HE ARG B 72 -2.471 -4.198 -8.365 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -3.143 -0.724 -8.331 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -1.471 -0.282 -8.690 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -0.320 -3.619 -8.782 1.00 6.44 H new ATOM 0 HH22 ARG B 72 0.121 -1.916 -8.944 1.00 6.44 H new ATOM 1856 N LEU B 73 -5.203 -7.351 -4.606 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.515 -8.704 -5.030 1.00 5.30 C ATOM 1858 C LEU B 73 -6.580 -8.681 -6.118 1.00 5.53 C ATOM 1859 O LEU B 73 -7.746 -8.378 -5.860 1.00 5.25 O ATOM 1860 CB LEU B 73 -5.988 -9.538 -3.834 1.00 5.36 C ATOM 1861 CG LEU B 73 -5.456 -10.973 -3.783 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -5.550 -11.527 -2.369 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -6.221 -11.862 -4.753 1.00 6.22 C ATOM 0 H LEU B 73 -5.624 -7.082 -3.717 1.00 4.67 H new ATOM 0 HA LEU B 73 -4.613 -9.162 -5.437 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -5.694 -9.027 -2.917 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -7.077 -9.572 -3.845 1.00 5.36 H new ATOM 0 HG LEU B 73 -4.407 -10.960 -4.080 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -5.168 -12.548 -2.352 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -4.959 -10.907 -1.695 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -6.591 -11.524 -2.046 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -5.829 -12.878 -4.702 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -7.278 -11.867 -4.486 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -6.105 -11.478 -5.767 1.00 6.22 H new ATOM 1875 N ARG B 74 -6.163 -8.982 -7.338 1.00 6.12 N ATOM 1876 CA ARG B 74 -7.066 -8.995 -8.477 1.00 6.46 C ATOM 1877 C ARG B 74 -8.072 -10.133 -8.344 1.00 6.87 C ATOM 1878 O ARG B 74 -7.695 -11.288 -8.144 1.00 7.38 O ATOM 1879 CB ARG B 74 -6.270 -9.128 -9.773 1.00 6.96 C ATOM 1880 CG ARG B 74 -7.080 -8.847 -11.029 1.00 7.09 C ATOM 1881 CD ARG B 74 -6.176 -8.432 -12.179 1.00 7.58 C ATOM 1882 NE ARG B 74 -5.144 -9.431 -12.461 1.00 8.13 N ATOM 1883 CZ ARG B 74 -3.835 -9.239 -12.270 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -3.389 -8.072 -11.809 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -2.974 -10.211 -12.553 1.00 9.16 N ATOM 0 H ARG B 74 -5.198 -9.222 -7.565 1.00 6.12 H new ATOM 0 HA ARG B 74 -7.617 -8.055 -8.502 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -5.423 -8.443 -9.739 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -5.862 -10.137 -9.835 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -7.645 -9.736 -11.308 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -7.806 -8.058 -10.829 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -6.779 -8.273 -13.073 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -5.702 -7.480 -11.941 1.00 7.58 H new ATOM 0 HE ARG B 74 -5.444 -10.334 -12.828 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -4.047 -7.321 -11.600 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -2.389 -7.929 -11.664 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -3.312 -11.102 -12.916 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -1.975 -10.066 -12.408 1.00 9.16 H new ATOM 1899 N GLY B 75 -9.347 -9.796 -8.441 1.00 6.78 N ATOM 1900 CA GLY B 75 -10.388 -10.796 -8.321 1.00 7.22 C ATOM 1901 C GLY B 75 -11.479 -10.349 -7.376 1.00 7.03 C ATOM 1902 O GLY B 75 -12.573 -10.919 -7.355 1.00 7.21 O ATOM 0 H GLY B 75 -9.682 -8.846 -8.601 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -10.816 -10.997 -9.303 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -9.956 -11.731 -7.964 1.00 7.22 H new ATOM 1906 N GLY B 76 -11.176 -9.323 -6.592 1.00 6.90 N ATOM 1907 CA GLY B 76 -12.141 -8.793 -5.653 1.00 6.84 C ATOM 1908 C GLY B 76 -13.260 -8.057 -6.355 1.00 7.02 C ATOM 1909 O GLY B 76 -14.378 -8.012 -5.812 1.00 7.18 O ATOM 1910 OXT GLY B 76 -13.025 -7.520 -7.463 1.00 7.20 O ATOM 0 H GLY B 76 -10.274 -8.847 -6.591 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -12.557 -9.608 -5.060 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -11.640 -8.118 -4.959 1.00 6.84 H new