USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 130:sc= -0.665 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -117:sc= -1.26! (180deg=-4.02!) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.0827 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 102:sc= -4.09! USER MOD Single : A 16 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 23 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.99) USER MOD Single : A 28 ASN : amide:sc= -3.16 K(o=-3.2,f=-0.83) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= -0.227 (180deg=-0.276) USER MOD Single : A 46 SER OG : rot 180:sc= -0.823 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.164 (180deg=-0.819) USER MOD Single : A 52 SER OG : rot 110:sc= 0.137 USER MOD Single : A 53 ASN : amide:sc= -4.74! C(o=-4.7!,f=-11!) USER MOD Single : A 54 TYR OH : rot -60:sc= -0.184! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.43! C(o=-1.4!,f=-4.2!) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ -151:sc= -0.199 (180deg=-0.953) USER MOD Single : B 4 THR OG1 : rot 89:sc= 0.978 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -5 SER OG : rot 180:sc= 0.0147 USER MOD Single : B -6 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-6.8!) USER MOD Single : B -8 LYS NZ :NH3+ 167:sc= -0.29 (180deg=-0.765) USER MOD Single : B -10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.227 -14.102 -4.377 1.00 0.00 N ATOM 2 CA ALA A 1 3.419 -13.757 -3.179 1.00 0.00 C ATOM 3 C ALA A 1 2.002 -13.340 -3.576 1.00 0.00 C ATOM 4 O ALA A 1 1.724 -13.103 -4.752 1.00 0.00 O ATOM 5 CB ALA A 1 4.099 -12.647 -2.387 1.00 0.00 C ATOM 0 H1 ALA A 1 4.460 -15.116 -4.359 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.683 -13.887 -5.237 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.105 -13.545 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 1 3.346 -14.644 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.497 -12.403 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.086 -12.981 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.201 -11.762 -3.015 1.00 0.00 H new ATOM 13 N PRO A 2 1.087 -13.245 -2.595 1.00 0.00 N ATOM 14 CA PRO A 2 -0.310 -12.854 -2.842 1.00 0.00 C ATOM 15 C PRO A 2 -0.415 -11.491 -3.515 1.00 0.00 C ATOM 16 O PRO A 2 0.551 -10.738 -3.573 1.00 0.00 O ATOM 17 CB PRO A 2 -0.929 -12.874 -1.430 1.00 0.00 C ATOM 18 CG PRO A 2 0.223 -12.760 -0.496 1.00 0.00 C ATOM 19 CD PRO A 2 1.342 -13.497 -1.163 1.00 0.00 C ATOM 0 HA PRO A 2 -0.827 -13.518 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.628 -12.049 -1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.486 -13.795 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.487 -11.717 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.012 -13.196 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.317 -13.121 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.322 -14.561 -0.929 1.00 0.00 H new ATOM 24 N TRP A 3 -1.592 -11.193 -4.035 1.00 0.00 N ATOM 25 CA TRP A 3 -1.832 -9.937 -4.735 1.00 0.00 C ATOM 26 C TRP A 3 -3.114 -9.283 -4.262 1.00 0.00 C ATOM 27 O TRP A 3 -3.972 -9.919 -3.648 1.00 0.00 O ATOM 28 CB TRP A 3 -1.918 -10.195 -6.232 1.00 0.00 C ATOM 29 CG TRP A 3 -3.087 -11.028 -6.617 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.185 -12.381 -6.762 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.335 -10.498 -6.941 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.460 -12.705 -7.183 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.185 -11.541 -7.309 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.788 -9.215 -6.954 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.504 -11.300 -7.706 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.052 -8.959 -7.345 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.916 -9.983 -7.727 1.00 0.00 C ATOM 0 H TRP A 3 -2.405 -11.807 -3.987 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.003 -9.263 -4.520 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.972 -9.241 -6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.004 -10.689 -6.562 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.390 -13.088 -6.577 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.806 -13.646 -7.369 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.138 -8.407 -6.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.168 -12.105 -7.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.403 -7.938 -7.363 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.920 -9.743 -8.043 1.00 0.00 H new ATOM 47 N ALA A 4 -3.226 -7.988 -4.560 1.00 0.00 N ATOM 48 CA ALA A 4 -4.398 -7.236 -4.165 1.00 0.00 C ATOM 49 C ALA A 4 -4.758 -6.138 -5.153 1.00 0.00 C ATOM 50 O ALA A 4 -3.937 -5.715 -5.965 1.00 0.00 O ATOM 51 CB ALA A 4 -4.209 -6.614 -2.789 1.00 0.00 C ATOM 0 H ALA A 4 -2.523 -7.451 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.217 -7.955 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.104 -6.055 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.035 -7.401 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.352 -5.940 -2.809 1.00 0.00 H new ATOM 57 N THR A 5 -5.988 -5.692 -5.070 1.00 0.00 N ATOM 58 CA THR A 5 -6.479 -4.620 -5.913 1.00 0.00 C ATOM 59 C THR A 5 -6.845 -3.448 -5.037 1.00 0.00 C ATOM 60 O THR A 5 -7.316 -3.632 -3.915 1.00 0.00 O ATOM 61 CB THR A 5 -7.715 -5.050 -6.730 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.355 -6.072 -7.661 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.326 -3.885 -7.492 1.00 0.00 C ATOM 0 H THR A 5 -6.680 -6.060 -4.417 1.00 0.00 H new ATOM 0 HA THR A 5 -5.693 -4.351 -6.619 1.00 0.00 H new ATOM 0 HB THR A 5 -8.455 -5.424 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.981 -6.822 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.193 -4.232 -8.053 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.635 -3.112 -6.788 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.588 -3.474 -8.181 1.00 0.00 H new ATOM 71 N ALA A 6 -6.635 -2.238 -5.531 1.00 0.00 N ATOM 72 CA ALA A 6 -6.966 -1.044 -4.772 1.00 0.00 C ATOM 73 C ALA A 6 -8.457 -0.753 -4.845 1.00 0.00 C ATOM 74 O ALA A 6 -9.086 -0.912 -5.892 1.00 0.00 O ATOM 75 CB ALA A 6 -6.167 0.151 -5.277 1.00 0.00 C ATOM 0 H ALA A 6 -6.237 -2.058 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.702 -1.222 -3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.429 1.035 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.102 -0.052 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.398 0.325 -6.328 1.00 0.00 H new ATOM 81 N GLU A 7 -9.011 -0.321 -3.721 1.00 0.00 N ATOM 82 CA GLU A 7 -10.422 0.022 -3.634 1.00 0.00 C ATOM 83 C GLU A 7 -10.606 1.520 -3.382 1.00 0.00 C ATOM 84 O GLU A 7 -11.709 2.052 -3.506 1.00 0.00 O ATOM 85 CB GLU A 7 -11.106 -0.745 -2.501 1.00 0.00 C ATOM 86 CG GLU A 7 -10.917 -2.251 -2.586 1.00 0.00 C ATOM 87 CD GLU A 7 -11.673 -2.870 -3.745 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.365 -2.122 -4.469 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.575 -4.101 -3.929 1.00 0.00 O ATOM 0 H GLU A 7 -8.497 -0.199 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.876 -0.250 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.716 -0.391 -1.547 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.172 -0.520 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.855 -2.475 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.250 -2.708 -1.654 1.00 0.00 H new ATOM 94 N TYR A 8 -9.507 2.191 -3.025 1.00 0.00 N ATOM 95 CA TYR A 8 -9.492 3.619 -2.744 1.00 0.00 C ATOM 96 C TYR A 8 -8.174 4.216 -3.194 1.00 0.00 C ATOM 97 O TYR A 8 -7.126 3.587 -3.051 1.00 0.00 O ATOM 98 CB TYR A 8 -9.645 3.817 -1.250 1.00 0.00 C ATOM 99 CG TYR A 8 -10.831 3.091 -0.707 1.00 0.00 C ATOM 100 CD1 TYR A 8 -12.082 3.677 -0.714 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.701 1.809 -0.211 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.180 3.003 -0.237 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.787 1.125 0.272 1.00 0.00 C ATOM 104 CZ TYR A 8 -13.032 1.722 0.258 1.00 0.00 C ATOM 105 OH TYR A 8 -14.127 1.041 0.738 1.00 0.00 O ATOM 0 H TYR A 8 -8.594 1.747 -2.923 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.307 4.109 -3.277 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.744 3.469 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.741 4.881 -1.033 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.198 4.679 -1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.729 1.338 -0.203 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.153 3.472 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.669 0.125 0.661 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.850 0.153 1.048 1.00 0.00 H new ATOM 114 N ASP A 9 -8.208 5.421 -3.736 1.00 0.00 N ATOM 115 CA ASP A 9 -7.017 6.118 -4.212 1.00 0.00 C ATOM 116 C ASP A 9 -6.099 6.401 -3.032 1.00 0.00 C ATOM 117 O ASP A 9 -6.177 7.461 -2.414 1.00 0.00 O ATOM 118 CB ASP A 9 -7.454 7.425 -4.869 1.00 0.00 C ATOM 119 CG ASP A 9 -8.028 7.211 -6.254 1.00 0.00 C ATOM 120 OD1 ASP A 9 -7.613 6.244 -6.926 1.00 0.00 O ATOM 121 OD2 ASP A 9 -8.895 8.010 -6.667 1.00 0.00 O ATOM 0 H ASP A 9 -9.070 5.952 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.478 5.508 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.200 7.913 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.600 8.100 -4.933 1.00 0.00 H new ATOM 125 N TYR A 10 -5.228 5.447 -2.725 1.00 0.00 N ATOM 126 CA TYR A 10 -4.331 5.587 -1.580 1.00 0.00 C ATOM 127 C TYR A 10 -3.134 6.465 -1.913 1.00 0.00 C ATOM 128 O TYR A 10 -2.433 6.225 -2.895 1.00 0.00 O ATOM 129 CB TYR A 10 -3.868 4.221 -1.084 1.00 0.00 C ATOM 130 CG TYR A 10 -2.879 4.310 0.046 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.083 5.185 1.103 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.735 3.527 0.050 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.173 5.277 2.134 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.820 3.615 1.075 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.043 4.489 2.115 1.00 0.00 C ATOM 136 OH TYR A 10 -0.122 4.581 3.130 1.00 0.00 O ATOM 0 H TYR A 10 -5.122 4.576 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.892 6.075 -0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.735 3.647 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.417 3.674 -1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.968 5.803 1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.559 2.838 -0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.345 5.962 2.951 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.069 3.001 1.063 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.239 3.829 3.747 1.00 0.00 H new ATOM 145 N ASP A 11 -2.912 7.491 -1.094 1.00 0.00 N ATOM 146 CA ASP A 11 -1.787 8.384 -1.328 1.00 0.00 C ATOM 147 C ASP A 11 -0.755 8.359 -0.173 1.00 0.00 C ATOM 148 O ASP A 11 -0.563 9.364 0.511 1.00 0.00 O ATOM 149 CB ASP A 11 -2.367 9.790 -1.507 1.00 0.00 C ATOM 150 CG ASP A 11 -1.331 10.899 -1.464 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.471 10.942 -2.370 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.378 11.721 -0.525 1.00 0.00 O ATOM 0 H ASP A 11 -3.484 7.719 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.242 8.060 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.893 9.836 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.107 9.968 -0.726 1.00 0.00 H new ATOM 156 N ALA A 12 -0.125 7.187 0.040 1.00 0.00 N ATOM 157 CA ALA A 12 0.934 6.974 1.061 1.00 0.00 C ATOM 158 C ALA A 12 1.083 8.123 2.071 1.00 0.00 C ATOM 159 O ALA A 12 1.790 9.098 1.814 1.00 0.00 O ATOM 160 CB ALA A 12 2.255 6.741 0.350 1.00 0.00 C ATOM 0 H ALA A 12 -0.337 6.346 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 12 0.634 6.106 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.042 6.583 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.174 5.861 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.498 7.611 -0.260 1.00 0.00 H new ATOM 166 N ALA A 13 0.420 7.995 3.206 1.00 0.00 N ATOM 167 CA ALA A 13 0.477 8.998 4.275 1.00 0.00 C ATOM 168 C ALA A 13 1.863 9.180 4.964 1.00 0.00 C ATOM 169 O ALA A 13 2.131 10.271 5.466 1.00 0.00 O ATOM 170 CB ALA A 13 -0.538 8.624 5.327 1.00 0.00 C ATOM 0 H ALA A 13 -0.176 7.195 3.421 1.00 0.00 H new ATOM 0 HA ALA A 13 0.269 9.953 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.513 9.357 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.533 8.607 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.302 7.638 5.726 1.00 0.00 H new ATOM 176 N GLU A 14 2.741 8.174 5.008 1.00 0.00 N ATOM 177 CA GLU A 14 4.024 8.330 5.749 1.00 0.00 C ATOM 178 C GLU A 14 5.339 8.356 4.944 1.00 0.00 C ATOM 179 O GLU A 14 6.394 8.529 5.551 1.00 0.00 O ATOM 180 CB GLU A 14 4.190 7.200 6.770 1.00 0.00 C ATOM 181 CG GLU A 14 3.557 7.508 8.118 1.00 0.00 C ATOM 182 CD GLU A 14 4.225 8.672 8.823 1.00 0.00 C ATOM 183 OE1 GLU A 14 3.986 9.828 8.416 1.00 0.00 O ATOM 184 OE2 GLU A 14 4.986 8.427 9.781 1.00 0.00 O ATOM 0 H GLU A 14 2.608 7.267 4.560 1.00 0.00 H new ATOM 0 HA GLU A 14 3.903 9.326 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.747 6.289 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.252 7.002 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.500 7.732 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.613 6.623 8.752 1.00 0.00 H new ATOM 189 N ASP A 15 5.291 8.164 3.636 1.00 0.00 N ATOM 190 CA ASP A 15 6.492 8.182 2.763 1.00 0.00 C ATOM 191 C ASP A 15 6.844 6.749 2.406 1.00 0.00 C ATOM 192 O ASP A 15 6.764 6.394 1.227 1.00 0.00 O ATOM 193 CB ASP A 15 7.691 8.939 3.352 1.00 0.00 C ATOM 194 CG ASP A 15 7.325 10.334 3.820 1.00 0.00 C ATOM 195 OD1 ASP A 15 6.189 10.775 3.542 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.172 10.988 4.465 1.00 0.00 O ATOM 0 H ASP A 15 4.422 7.989 3.131 1.00 0.00 H new ATOM 0 HA ASP A 15 6.243 8.747 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.097 8.373 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.478 9.006 2.601 1.00 0.00 H new ATOM 200 N ASN A 16 7.235 5.898 3.379 1.00 0.00 N ATOM 201 CA ASN A 16 7.518 4.536 2.938 1.00 0.00 C ATOM 202 C ASN A 16 6.260 3.705 3.126 1.00 0.00 C ATOM 203 O ASN A 16 6.241 2.702 3.843 1.00 0.00 O ATOM 204 CB ASN A 16 8.533 4.036 3.979 1.00 0.00 C ATOM 205 CG ASN A 16 9.653 3.229 3.358 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.620 2.906 2.170 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.656 2.899 4.162 1.00 0.00 N ATOM 0 H ASN A 16 7.351 6.105 4.371 1.00 0.00 H new ATOM 0 HA ASN A 16 7.857 4.479 1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.956 4.890 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.017 3.425 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.441 2.356 3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.642 3.188 5.140 1.00 0.00 H new ATOM 213 N GLU A 17 5.217 4.121 2.461 1.00 0.00 N ATOM 214 CA GLU A 17 4.023 3.374 2.264 1.00 0.00 C ATOM 215 C GLU A 17 3.935 3.141 0.769 1.00 0.00 C ATOM 216 O GLU A 17 4.717 3.731 0.022 1.00 0.00 O ATOM 217 CB GLU A 17 2.835 4.137 2.827 1.00 0.00 C ATOM 218 CG GLU A 17 2.869 4.151 4.349 1.00 0.00 C ATOM 219 CD GLU A 17 1.826 5.054 4.965 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.416 6.018 4.299 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.431 4.808 6.121 1.00 0.00 O ATOM 0 H GLU A 17 5.184 5.041 2.022 1.00 0.00 H new ATOM 0 HA GLU A 17 4.023 2.418 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.843 5.160 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.908 3.678 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.723 3.136 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.857 4.471 4.680 1.00 0.00 H new ATOM 226 N LEU A 18 3.036 2.321 0.297 1.00 0.00 N ATOM 227 CA LEU A 18 2.876 2.180 -1.136 1.00 0.00 C ATOM 228 C LEU A 18 1.806 3.187 -1.492 1.00 0.00 C ATOM 229 O LEU A 18 1.216 3.814 -0.616 1.00 0.00 O ATOM 230 CB LEU A 18 2.480 0.752 -1.522 1.00 0.00 C ATOM 231 CG LEU A 18 2.565 0.406 -3.014 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.783 1.044 -3.667 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.610 -1.101 -3.192 1.00 0.00 C ATOM 0 H LEU A 18 2.412 1.748 0.865 1.00 0.00 H new ATOM 0 HA LEU A 18 3.803 2.363 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.118 0.059 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.457 0.578 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 18 1.677 0.805 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.811 0.777 -4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.723 2.128 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.688 0.684 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.670 -1.340 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.484 -1.502 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.708 -1.544 -2.771 1.00 0.00 H new ATOM 244 N THR A 19 1.565 3.357 -2.774 1.00 0.00 N ATOM 245 CA THR A 19 0.640 4.377 -3.208 1.00 0.00 C ATOM 246 C THR A 19 -0.019 3.950 -4.490 1.00 0.00 C ATOM 247 O THR A 19 0.659 3.590 -5.453 1.00 0.00 O ATOM 248 CB THR A 19 1.368 5.712 -3.426 1.00 0.00 C ATOM 249 OG1 THR A 19 2.719 5.617 -2.960 1.00 0.00 O ATOM 250 CG2 THR A 19 0.654 6.822 -2.694 1.00 0.00 C ATOM 0 H THR A 19 1.990 2.810 -3.523 1.00 0.00 H new ATOM 0 HA THR A 19 -0.115 4.513 -2.433 1.00 0.00 H new ATOM 0 HB THR A 19 1.372 5.936 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.176 6.472 -3.104 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.180 7.763 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.366 6.907 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.631 6.599 -1.627 1.00 0.00 H new ATOM 258 N PHE A 20 -1.330 3.984 -4.521 1.00 0.00 N ATOM 259 CA PHE A 20 -2.037 3.532 -5.697 1.00 0.00 C ATOM 260 C PHE A 20 -3.372 4.238 -5.861 1.00 0.00 C ATOM 261 O PHE A 20 -3.815 4.996 -4.998 1.00 0.00 O ATOM 262 CB PHE A 20 -2.214 2.008 -5.637 1.00 0.00 C ATOM 263 CG PHE A 20 -2.235 1.495 -4.224 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.359 1.669 -3.441 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.115 0.893 -3.670 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.371 1.254 -2.124 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.124 0.466 -2.356 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.252 0.648 -1.580 1.00 0.00 C ATOM 0 H PHE A 20 -1.922 4.314 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.442 3.785 -6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.143 1.732 -6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.403 1.528 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.238 2.134 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.228 0.757 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.253 1.402 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.250 -0.010 -1.936 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.261 0.318 -0.552 1.00 0.00 H new ATOM 277 N VAL A 21 -3.989 3.967 -6.989 1.00 0.00 N ATOM 278 CA VAL A 21 -5.283 4.536 -7.323 1.00 0.00 C ATOM 279 C VAL A 21 -6.258 3.427 -7.629 1.00 0.00 C ATOM 280 O VAL A 21 -5.904 2.493 -8.338 1.00 0.00 O ATOM 281 CB VAL A 21 -5.205 5.490 -8.515 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.813 6.878 -8.041 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.222 4.965 -9.541 1.00 0.00 C ATOM 0 H VAL A 21 -3.611 3.346 -7.704 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.621 5.112 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.184 5.554 -8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.759 7.553 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.558 7.245 -7.335 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.840 6.834 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.175 5.653 -10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.234 4.879 -9.088 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.548 3.985 -9.889 1.00 0.00 H new ATOM 293 N GLU A 22 -7.473 3.512 -7.080 1.00 0.00 N ATOM 294 CA GLU A 22 -8.512 2.497 -7.253 1.00 0.00 C ATOM 295 C GLU A 22 -8.350 1.648 -8.504 1.00 0.00 C ATOM 296 O GLU A 22 -7.907 2.107 -9.558 1.00 0.00 O ATOM 297 CB GLU A 22 -9.896 3.137 -7.280 1.00 0.00 C ATOM 298 CG GLU A 22 -10.205 3.899 -8.559 1.00 0.00 C ATOM 299 CD GLU A 22 -10.074 5.400 -8.388 1.00 0.00 C ATOM 300 OE1 GLU A 22 -10.984 6.011 -7.788 1.00 0.00 O ATOM 301 OE2 GLU A 22 -9.063 5.965 -8.854 1.00 0.00 O ATOM 0 H GLU A 22 -7.764 4.297 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.404 1.836 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.647 2.359 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.986 3.818 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.530 3.566 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.218 3.661 -8.884 1.00 0.00 H new ATOM 306 N ASN A 23 -8.772 0.414 -8.362 1.00 0.00 N ATOM 307 CA ASN A 23 -8.650 -0.523 -9.462 1.00 0.00 C ATOM 308 C ASN A 23 -7.174 -0.791 -9.794 1.00 0.00 C ATOM 309 O ASN A 23 -6.875 -1.513 -10.745 1.00 0.00 O ATOM 310 CB ASN A 23 -9.380 -0.012 -10.708 1.00 0.00 C ATOM 311 CG ASN A 23 -10.573 0.867 -10.381 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.484 0.457 -9.663 1.00 0.00 O ATOM 313 ND2 ASN A 23 -10.570 2.084 -10.911 1.00 0.00 N ATOM 0 H ASN A 23 -9.196 0.037 -7.514 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.114 -1.458 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.681 0.551 -11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.715 -0.864 -11.300 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.345 2.722 -10.728 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.793 2.381 -11.501 1.00 0.00 H new ATOM 319 N ASP A 24 -6.242 -0.211 -9.011 1.00 0.00 N ATOM 320 CA ASP A 24 -4.821 -0.428 -9.255 1.00 0.00 C ATOM 321 C ASP A 24 -4.459 -1.773 -8.690 1.00 0.00 C ATOM 322 O ASP A 24 -4.861 -2.136 -7.584 1.00 0.00 O ATOM 323 CB ASP A 24 -3.945 0.660 -8.624 1.00 0.00 C ATOM 324 CG ASP A 24 -3.665 1.805 -9.579 1.00 0.00 C ATOM 325 OD1 ASP A 24 -4.427 1.965 -10.555 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.682 2.542 -9.352 1.00 0.00 O ATOM 0 H ASP A 24 -6.452 0.399 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.639 -0.387 -10.329 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.438 1.047 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.001 0.221 -8.302 1.00 0.00 H new ATOM 330 N LYS A 25 -3.695 -2.509 -9.466 1.00 0.00 N ATOM 331 CA LYS A 25 -3.309 -3.833 -9.064 1.00 0.00 C ATOM 332 C LYS A 25 -2.036 -3.806 -8.209 1.00 0.00 C ATOM 333 O LYS A 25 -1.129 -3.007 -8.434 1.00 0.00 O ATOM 334 CB LYS A 25 -3.146 -4.713 -10.320 1.00 0.00 C ATOM 335 CG LYS A 25 -2.259 -5.925 -10.143 1.00 0.00 C ATOM 336 CD LYS A 25 -3.010 -7.233 -10.199 1.00 0.00 C ATOM 337 CE LYS A 25 -3.455 -7.618 -8.853 1.00 0.00 C ATOM 338 NZ LYS A 25 -4.699 -6.878 -8.515 1.00 0.00 N ATOM 0 H LYS A 25 -3.333 -2.211 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.089 -4.264 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.133 -5.048 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.740 -4.099 -11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.493 -5.921 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.744 -5.852 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.870 -7.139 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.370 -8.011 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.635 -8.692 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.677 -7.396 -8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.524 -6.260 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.991 -6.300 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.453 -7.555 -8.283 1.00 0.00 H new ATOM 348 N ILE A 26 -2.002 -4.707 -7.224 1.00 0.00 N ATOM 349 CA ILE A 26 -0.854 -4.860 -6.335 1.00 0.00 C ATOM 350 C ILE A 26 -0.474 -6.342 -6.268 1.00 0.00 C ATOM 351 O ILE A 26 -1.346 -7.209 -6.326 1.00 0.00 O ATOM 352 CB ILE A 26 -1.185 -4.353 -4.918 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.744 -2.932 -4.976 1.00 0.00 C ATOM 354 CG2 ILE A 26 0.052 -4.401 -4.035 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.674 -2.601 -3.830 1.00 0.00 C ATOM 0 H ILE A 26 -2.769 -5.348 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.024 -4.271 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.944 -5.005 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.915 -2.224 -4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.278 -2.799 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.199 -4.040 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.412 -5.428 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.830 -3.770 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.032 -1.577 -3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.522 -3.285 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.138 -2.702 -2.886 1.00 0.00 H new ATOM 366 N ILE A 27 0.812 -6.636 -6.150 1.00 0.00 N ATOM 367 CA ILE A 27 1.258 -8.028 -6.110 1.00 0.00 C ATOM 368 C ILE A 27 2.441 -8.218 -5.179 1.00 0.00 C ATOM 369 O ILE A 27 2.997 -7.258 -4.648 1.00 0.00 O ATOM 370 CB ILE A 27 1.557 -8.526 -7.541 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.672 -7.718 -8.192 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.298 -8.475 -8.393 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.379 -8.459 -9.300 1.00 0.00 C ATOM 0 H ILE A 27 1.558 -5.944 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 27 0.452 -8.636 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 27 1.894 -9.560 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.255 -6.793 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.400 -7.437 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.525 -8.829 -9.399 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.468 -9.111 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.066 -7.449 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.161 -7.826 -9.720 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.825 -9.370 -8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.663 -8.717 -10.080 1.00 0.00 H new ATOM 384 N ASN A 28 2.816 -9.475 -4.989 1.00 0.00 N ATOM 385 CA ASN A 28 3.891 -9.829 -4.088 1.00 0.00 C ATOM 386 C ASN A 28 3.586 -9.293 -2.700 1.00 0.00 C ATOM 387 O ASN A 28 4.434 -8.692 -2.041 1.00 0.00 O ATOM 388 CB ASN A 28 5.236 -9.300 -4.573 1.00 0.00 C ATOM 389 CG ASN A 28 5.715 -9.987 -5.832 1.00 0.00 C ATOM 390 OD1 ASN A 28 6.415 -10.997 -5.779 1.00 0.00 O ATOM 391 ND2 ASN A 28 5.335 -9.435 -6.974 1.00 0.00 N ATOM 0 H ASN A 28 2.382 -10.272 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 28 3.962 -10.916 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.155 -8.229 -4.757 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.979 -9.433 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.623 -9.848 -7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.754 -8.597 -6.967 1.00 0.00 H new ATOM 397 N ILE A 29 2.348 -9.529 -2.273 1.00 0.00 N ATOM 398 CA ILE A 29 1.858 -9.009 -1.008 1.00 0.00 C ATOM 399 C ILE A 29 2.442 -9.720 0.193 1.00 0.00 C ATOM 400 O ILE A 29 1.707 -10.377 0.931 1.00 0.00 O ATOM 401 CB ILE A 29 0.331 -9.033 -0.959 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.182 -8.155 -2.091 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.169 -8.548 0.401 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.649 -7.873 -2.026 1.00 0.00 C ATOM 0 H ILE A 29 1.665 -10.081 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 29 2.197 -7.974 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.043 -10.049 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.360 -7.209 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.043 -8.638 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.259 -8.572 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.220 -9.198 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.174 -7.528 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.936 -7.242 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.202 -8.811 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.880 -7.360 -1.092 1.00 0.00 H new ATOM 415 N GLU A 30 3.735 -9.614 0.408 1.00 0.00 N ATOM 416 CA GLU A 30 4.289 -10.250 1.588 1.00 0.00 C ATOM 417 C GLU A 30 3.664 -9.689 2.845 1.00 0.00 C ATOM 418 O GLU A 30 3.036 -8.641 2.800 1.00 0.00 O ATOM 419 CB GLU A 30 5.817 -10.181 1.600 1.00 0.00 C ATOM 420 CG GLU A 30 6.442 -10.588 0.277 1.00 0.00 C ATOM 421 CD GLU A 30 7.519 -11.643 0.439 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.612 -11.304 0.937 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.269 -12.808 0.066 1.00 0.00 O ATOM 0 H GLU A 30 4.399 -9.118 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 30 4.037 -11.310 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.127 -9.165 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.198 -10.829 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.664 -10.967 -0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.870 -9.708 -0.204 1.00 0.00 H new ATOM 428 N PHE A 31 3.871 -10.351 3.973 1.00 0.00 N ATOM 429 CA PHE A 31 3.252 -9.866 5.200 1.00 0.00 C ATOM 430 C PHE A 31 4.261 -9.260 6.161 1.00 0.00 C ATOM 431 O PHE A 31 4.555 -9.810 7.222 1.00 0.00 O ATOM 432 CB PHE A 31 2.436 -10.984 5.853 1.00 0.00 C ATOM 433 CG PHE A 31 1.315 -11.476 4.967 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.216 -10.668 4.686 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.369 -12.737 4.394 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.800 -11.109 3.858 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.354 -13.185 3.568 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.731 -12.370 3.299 1.00 0.00 C ATOM 0 H PHE A 31 4.439 -11.193 4.067 1.00 0.00 H new ATOM 0 HA PHE A 31 2.574 -9.055 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.096 -11.817 6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.020 -10.624 6.794 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.156 -9.682 5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.215 -13.378 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.645 -10.469 3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.409 -14.172 3.133 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.523 -12.719 2.653 1.00 0.00 H new ATOM 447 N VAL A 32 4.779 -8.112 5.754 1.00 0.00 N ATOM 448 CA VAL A 32 5.731 -7.350 6.546 1.00 0.00 C ATOM 449 C VAL A 32 5.101 -6.960 7.883 1.00 0.00 C ATOM 450 O VAL A 32 5.770 -7.003 8.916 1.00 0.00 O ATOM 451 CB VAL A 32 6.155 -6.076 5.762 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.155 -6.435 4.675 1.00 0.00 C ATOM 453 CG2 VAL A 32 4.934 -5.391 5.162 1.00 0.00 C ATOM 0 H VAL A 32 4.549 -7.680 4.859 1.00 0.00 H new ATOM 0 HA VAL A 32 6.613 -7.961 6.739 1.00 0.00 H new ATOM 0 HB VAL A 32 6.632 -5.382 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.443 -5.534 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.039 -6.885 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.701 -7.144 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.248 -4.501 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.431 -6.076 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.249 -5.105 5.960 1.00 0.00 H new ATOM 463 N ASP A 33 3.831 -6.581 7.879 1.00 0.00 N ATOM 464 CA ASP A 33 3.123 -6.254 9.110 1.00 0.00 C ATOM 465 C ASP A 33 1.719 -6.847 9.051 1.00 0.00 C ATOM 466 O ASP A 33 1.176 -7.045 7.972 1.00 0.00 O ATOM 467 CB ASP A 33 3.077 -4.738 9.327 1.00 0.00 C ATOM 468 CG ASP A 33 2.015 -4.333 10.336 1.00 0.00 C ATOM 469 OD1 ASP A 33 1.921 -4.989 11.395 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.278 -3.361 10.066 1.00 0.00 O ATOM 0 H ASP A 33 3.267 -6.492 7.034 1.00 0.00 H new ATOM 0 HA ASP A 33 3.655 -6.684 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.052 -4.392 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.880 -4.243 8.376 1.00 0.00 H new ATOM 474 N ASP A 34 1.130 -7.125 10.209 1.00 0.00 N ATOM 475 CA ASP A 34 -0.228 -7.651 10.247 1.00 0.00 C ATOM 476 C ASP A 34 -1.140 -6.709 9.468 1.00 0.00 C ATOM 477 O ASP A 34 -1.939 -7.126 8.630 1.00 0.00 O ATOM 478 CB ASP A 34 -0.712 -7.779 11.693 1.00 0.00 C ATOM 479 CG ASP A 34 -1.463 -9.073 11.942 1.00 0.00 C ATOM 480 OD1 ASP A 34 -1.803 -9.761 10.956 1.00 0.00 O ATOM 481 OD2 ASP A 34 -1.711 -9.398 13.121 1.00 0.00 O ATOM 0 H ASP A 34 1.565 -6.997 11.122 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.248 -8.643 9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.144 -7.724 12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.359 -6.935 11.932 1.00 0.00 H new ATOM 485 N ASP A 35 -0.989 -5.427 9.776 1.00 0.00 N ATOM 486 CA ASP A 35 -1.823 -4.379 9.203 1.00 0.00 C ATOM 487 C ASP A 35 -1.331 -3.809 7.873 1.00 0.00 C ATOM 488 O ASP A 35 -2.143 -3.516 6.997 1.00 0.00 O ATOM 489 CB ASP A 35 -1.964 -3.236 10.209 1.00 0.00 C ATOM 490 CG ASP A 35 -2.702 -3.658 11.464 1.00 0.00 C ATOM 491 OD1 ASP A 35 -3.504 -4.613 11.388 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.479 -3.035 12.524 1.00 0.00 O ATOM 0 H ASP A 35 -0.285 -5.085 10.430 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.779 -4.857 8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.974 -2.869 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.494 -2.407 9.741 1.00 0.00 H new ATOM 496 N TRP A 36 -0.019 -3.645 7.702 1.00 0.00 N ATOM 497 CA TRP A 36 0.492 -3.211 6.398 1.00 0.00 C ATOM 498 C TRP A 36 1.337 -4.315 5.796 1.00 0.00 C ATOM 499 O TRP A 36 2.363 -4.681 6.364 1.00 0.00 O ATOM 500 CB TRP A 36 1.328 -1.938 6.505 1.00 0.00 C ATOM 501 CG TRP A 36 0.532 -0.758 6.914 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.177 -0.660 8.049 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.344 0.472 6.204 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.786 0.562 8.130 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.486 1.278 7.005 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.799 0.975 4.979 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.872 2.557 6.628 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.408 2.251 4.602 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.421 3.026 5.430 1.00 0.00 C ATOM 0 H TRP A 36 0.689 -3.799 8.420 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.366 -2.995 5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.131 -2.096 7.226 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.799 -1.737 5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.256 -1.437 8.794 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.368 0.886 8.903 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.440 0.383 4.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.507 3.159 7.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.746 2.654 3.659 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.708 4.017 5.110 1.00 0.00 H new ATOM 519 N TRP A 37 0.945 -4.858 4.655 1.00 0.00 N ATOM 520 CA TRP A 37 1.685 -5.903 3.981 1.00 0.00 C ATOM 521 C TRP A 37 2.556 -5.225 2.960 1.00 0.00 C ATOM 522 O TRP A 37 2.392 -4.034 2.704 1.00 0.00 O ATOM 523 CB TRP A 37 0.697 -6.896 3.355 1.00 0.00 C ATOM 524 CG TRP A 37 -0.523 -7.134 4.184 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.555 -7.464 5.501 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.883 -7.064 3.753 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.848 -7.623 5.919 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.684 -7.379 4.864 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.505 -6.768 2.537 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.067 -7.411 4.798 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.884 -6.796 2.472 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.654 -7.118 3.597 1.00 0.00 C ATOM 0 H TRP A 37 0.093 -4.580 4.168 1.00 0.00 H new ATOM 0 HA TRP A 37 2.315 -6.478 4.660 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.393 -6.524 2.376 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.205 -7.846 3.192 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.316 -7.584 6.129 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.140 -7.881 6.862 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.918 -6.522 1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.662 -7.659 5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.377 -6.566 1.539 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.731 -7.135 3.515 1.00 0.00 H new ATOM 542 N LEU A 38 3.489 -5.949 2.373 1.00 0.00 N ATOM 543 CA LEU A 38 4.369 -5.351 1.405 1.00 0.00 C ATOM 544 C LEU A 38 3.969 -5.763 0.021 1.00 0.00 C ATOM 545 O LEU A 38 3.486 -6.856 -0.183 1.00 0.00 O ATOM 546 CB LEU A 38 5.822 -5.755 1.720 1.00 0.00 C ATOM 547 CG LEU A 38 6.516 -6.651 0.679 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.824 -5.845 -0.571 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.781 -7.269 1.254 1.00 0.00 C ATOM 0 H LEU A 38 3.652 -6.940 2.551 1.00 0.00 H new ATOM 0 HA LEU A 38 4.296 -4.265 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.413 -4.847 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.834 -6.271 2.680 1.00 0.00 H new ATOM 0 HG LEU A 38 5.843 -7.466 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.315 -6.484 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.896 -5.457 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.482 -5.014 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.254 -7.898 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.470 -6.478 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.527 -7.874 2.124 1.00 0.00 H new ATOM 560 N GLY A 39 4.247 -4.892 -0.922 1.00 0.00 N ATOM 561 CA GLY A 39 3.837 -5.220 -2.260 1.00 0.00 C ATOM 562 C GLY A 39 4.859 -5.063 -3.353 1.00 0.00 C ATOM 563 O GLY A 39 6.061 -4.918 -3.142 1.00 0.00 O ATOM 0 H GLY A 39 4.728 -4.001 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.495 -6.255 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.977 -4.599 -2.511 1.00 0.00 H new ATOM 567 N GLU A 40 4.285 -5.098 -4.535 1.00 0.00 N ATOM 568 CA GLU A 40 4.946 -4.921 -5.801 1.00 0.00 C ATOM 569 C GLU A 40 3.807 -4.647 -6.764 1.00 0.00 C ATOM 570 O GLU A 40 2.907 -5.468 -6.870 1.00 0.00 O ATOM 571 CB GLU A 40 5.753 -6.149 -6.205 1.00 0.00 C ATOM 572 CG GLU A 40 7.053 -5.798 -6.896 1.00 0.00 C ATOM 573 CD GLU A 40 8.083 -6.907 -6.808 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.691 -8.062 -6.533 1.00 0.00 O ATOM 575 OE2 GLU A 40 9.281 -6.623 -7.014 1.00 0.00 O ATOM 0 H GLU A 40 3.284 -5.261 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 40 5.680 -4.115 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.968 -6.744 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.151 -6.771 -6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.854 -5.576 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.463 -4.892 -6.451 1.00 0.00 H new ATOM 580 N LEU A 41 3.778 -3.514 -7.416 1.00 0.00 N ATOM 581 CA LEU A 41 2.651 -3.266 -8.300 1.00 0.00 C ATOM 582 C LEU A 41 2.818 -3.995 -9.615 1.00 0.00 C ATOM 583 O LEU A 41 3.783 -3.800 -10.328 1.00 0.00 O ATOM 584 CB LEU A 41 2.379 -1.770 -8.496 1.00 0.00 C ATOM 585 CG LEU A 41 2.177 -0.968 -7.208 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.198 0.524 -7.501 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.869 -1.362 -6.537 1.00 0.00 C ATOM 0 H LEU A 41 4.480 -2.776 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 41 1.764 -3.671 -7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.212 -1.335 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.491 -1.657 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 41 2.997 -1.196 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.053 1.079 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.158 0.795 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.398 0.769 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.740 -0.783 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.038 -1.162 -7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.890 -2.424 -6.294 1.00 0.00 H new ATOM 598 N GLU A 42 1.898 -4.893 -9.922 1.00 0.00 N ATOM 599 CA GLU A 42 1.990 -5.626 -11.167 1.00 0.00 C ATOM 600 C GLU A 42 2.030 -4.631 -12.330 1.00 0.00 C ATOM 601 O GLU A 42 2.671 -4.876 -13.351 1.00 0.00 O ATOM 602 CB GLU A 42 0.832 -6.638 -11.288 1.00 0.00 C ATOM 603 CG GLU A 42 0.049 -6.603 -12.597 1.00 0.00 C ATOM 604 CD GLU A 42 0.804 -7.246 -13.745 1.00 0.00 C ATOM 605 OE1 GLU A 42 1.827 -7.912 -13.483 1.00 0.00 O ATOM 606 OE2 GLU A 42 0.372 -7.082 -14.906 1.00 0.00 O ATOM 0 H GLU A 42 1.095 -5.127 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 42 2.910 -6.210 -11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.237 -7.641 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.137 -6.465 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.903 -7.116 -12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.180 -5.568 -12.852 1.00 0.00 H new ATOM 611 N LYS A 43 1.332 -3.503 -12.157 1.00 0.00 N ATOM 612 CA LYS A 43 1.279 -2.494 -13.203 1.00 0.00 C ATOM 613 C LYS A 43 2.608 -1.736 -13.361 1.00 0.00 C ATOM 614 O LYS A 43 3.072 -1.546 -14.484 1.00 0.00 O ATOM 615 CB LYS A 43 0.107 -1.518 -12.986 1.00 0.00 C ATOM 616 CG LYS A 43 0.440 -0.322 -12.099 1.00 0.00 C ATOM 617 CD LYS A 43 -0.785 0.211 -11.372 1.00 0.00 C ATOM 618 CE LYS A 43 -0.426 0.684 -9.974 1.00 0.00 C ATOM 619 NZ LYS A 43 0.131 2.065 -9.981 1.00 0.00 N ATOM 0 H LYS A 43 0.806 -3.274 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 43 1.107 -3.028 -14.138 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.230 -1.153 -13.956 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.727 -2.063 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.196 -0.612 -11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.873 0.471 -12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.218 1.035 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.544 -0.569 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.313 0.654 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.302 0.001 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.236 2.402 -9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.060 2.062 -10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.514 2.697 -10.497 1.00 0.00 H new ATOM 629 N ASP A 44 3.228 -1.299 -12.257 1.00 0.00 N ATOM 630 CA ASP A 44 4.479 -0.515 -12.365 1.00 0.00 C ATOM 631 C ASP A 44 5.661 -1.101 -11.580 1.00 0.00 C ATOM 632 O ASP A 44 6.796 -0.648 -11.728 1.00 0.00 O ATOM 633 CB ASP A 44 4.250 0.930 -11.919 1.00 0.00 C ATOM 634 CG ASP A 44 5.228 1.894 -12.561 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.599 1.672 -13.732 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.625 2.870 -11.890 1.00 0.00 O ATOM 0 H ASP A 44 2.902 -1.464 -11.305 1.00 0.00 H new ATOM 0 HA ASP A 44 4.750 -0.555 -13.420 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.232 1.228 -12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.342 0.992 -10.835 1.00 0.00 H new ATOM 640 N GLY A 45 5.396 -2.095 -10.758 1.00 0.00 N ATOM 641 CA GLY A 45 6.464 -2.714 -9.983 1.00 0.00 C ATOM 642 C GLY A 45 6.876 -1.950 -8.733 1.00 0.00 C ATOM 643 O GLY A 45 8.026 -2.052 -8.305 1.00 0.00 O ATOM 0 H GLY A 45 4.468 -2.490 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.147 -3.715 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.338 -2.830 -10.624 1.00 0.00 H new ATOM 647 N SER A 46 5.966 -1.186 -8.142 1.00 0.00 N ATOM 648 CA SER A 46 6.313 -0.440 -6.933 1.00 0.00 C ATOM 649 C SER A 46 6.141 -1.315 -5.693 1.00 0.00 C ATOM 650 O SER A 46 5.141 -2.016 -5.558 1.00 0.00 O ATOM 651 CB SER A 46 5.457 0.823 -6.823 1.00 0.00 C ATOM 652 OG SER A 46 5.297 1.444 -8.088 1.00 0.00 O ATOM 0 H SER A 46 5.007 -1.066 -8.467 1.00 0.00 H new ATOM 0 HA SER A 46 7.360 -0.144 -6.999 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.480 0.569 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.922 1.522 -6.128 1.00 0.00 H new ATOM 0 HG SER A 46 4.745 2.248 -7.990 1.00 0.00 H new ATOM 657 N LYS A 47 7.096 -1.219 -4.756 1.00 0.00 N ATOM 658 CA LYS A 47 7.056 -2.019 -3.526 1.00 0.00 C ATOM 659 C LYS A 47 7.018 -1.136 -2.288 1.00 0.00 C ATOM 660 O LYS A 47 7.601 -0.051 -2.274 1.00 0.00 O ATOM 661 CB LYS A 47 8.267 -2.950 -3.398 1.00 0.00 C ATOM 662 CG LYS A 47 8.919 -3.291 -4.731 1.00 0.00 C ATOM 663 CD LYS A 47 9.693 -4.598 -4.658 1.00 0.00 C ATOM 664 CE LYS A 47 10.800 -4.647 -5.698 1.00 0.00 C ATOM 665 NZ LYS A 47 11.808 -3.573 -5.484 1.00 0.00 N ATOM 0 H LYS A 47 7.902 -0.598 -4.827 1.00 0.00 H new ATOM 0 HA LYS A 47 6.146 -2.614 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.008 -2.481 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.955 -3.873 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.153 -3.364 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.592 -2.485 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.122 -4.713 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.012 -5.435 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.291 -5.619 -5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.368 -4.547 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.722 -3.871 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.493 -2.702 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.915 -3.395 -4.465 1.00 0.00 H new ATOM 675 N GLY A 48 6.334 -1.596 -1.244 1.00 0.00 N ATOM 676 CA GLY A 48 6.267 -0.860 0.006 1.00 0.00 C ATOM 677 C GLY A 48 5.191 -1.388 0.934 1.00 0.00 C ATOM 678 O GLY A 48 4.276 -2.081 0.487 1.00 0.00 O ATOM 0 H GLY A 48 5.819 -2.477 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.233 -0.914 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.076 0.192 -0.205 1.00 0.00 H new ATOM 682 N LEU A 49 5.284 -1.070 2.227 1.00 0.00 N ATOM 683 CA LEU A 49 4.270 -1.522 3.158 1.00 0.00 C ATOM 684 C LEU A 49 3.034 -0.703 2.876 1.00 0.00 C ATOM 685 O LEU A 49 3.091 0.524 2.859 1.00 0.00 O ATOM 686 CB LEU A 49 4.713 -1.357 4.622 1.00 0.00 C ATOM 687 CG LEU A 49 6.117 -1.864 4.968 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.454 -3.108 4.165 1.00 0.00 C ATOM 689 CD2 LEU A 49 7.154 -0.771 4.745 1.00 0.00 C ATOM 0 H LEU A 49 6.035 -0.515 2.638 1.00 0.00 H new ATOM 0 HA LEU A 49 4.083 -2.587 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.658 -0.299 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.996 -1.877 5.257 1.00 0.00 H new ATOM 0 HG LEU A 49 6.133 -2.133 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.455 -3.450 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.732 -3.893 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.417 -2.875 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.144 -1.152 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.139 -0.463 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.923 0.085 5.379 1.00 0.00 H new ATOM 700 N PHE A 50 1.914 -1.360 2.656 1.00 0.00 N ATOM 701 CA PHE A 50 0.704 -0.666 2.288 1.00 0.00 C ATOM 702 C PHE A 50 -0.442 -0.995 3.212 1.00 0.00 C ATOM 703 O PHE A 50 -0.453 -2.030 3.870 1.00 0.00 O ATOM 704 CB PHE A 50 0.327 -0.998 0.841 1.00 0.00 C ATOM 705 CG PHE A 50 0.001 -2.450 0.609 1.00 0.00 C ATOM 706 CD1 PHE A 50 1.010 -3.399 0.516 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.315 -2.864 0.481 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.709 -4.733 0.299 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.620 -4.195 0.265 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.607 -5.129 0.175 1.00 0.00 C ATOM 0 H PHE A 50 1.819 -2.373 2.726 1.00 0.00 H new ATOM 0 HA PHE A 50 0.899 0.403 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.533 -0.393 0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.151 -0.713 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.041 -3.093 0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.112 -2.138 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.503 -5.462 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.650 -4.504 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.845 -6.169 0.008 1.00 0.00 H new ATOM 719 N PRO A 51 -1.435 -0.107 3.249 1.00 0.00 N ATOM 720 CA PRO A 51 -2.603 -0.271 4.080 1.00 0.00 C ATOM 721 C PRO A 51 -3.395 -1.515 3.742 1.00 0.00 C ATOM 722 O PRO A 51 -3.046 -2.303 2.863 1.00 0.00 O ATOM 723 CB PRO A 51 -3.477 0.956 3.814 1.00 0.00 C ATOM 724 CG PRO A 51 -2.594 1.931 3.120 1.00 0.00 C ATOM 725 CD PRO A 51 -1.512 1.129 2.447 1.00 0.00 C ATOM 0 HA PRO A 51 -2.298 -0.371 5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.338 0.698 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.864 1.371 4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.157 2.512 2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.167 2.640 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.761 0.916 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.562 1.663 2.444 1.00 0.00 H new ATOM 730 N SER A 52 -4.469 -1.642 4.493 1.00 0.00 N ATOM 731 CA SER A 52 -5.325 -2.781 4.173 1.00 0.00 C ATOM 732 C SER A 52 -6.784 -2.440 4.018 1.00 0.00 C ATOM 733 O SER A 52 -7.556 -3.199 3.431 1.00 0.00 O ATOM 734 CB SER A 52 -5.076 -3.929 5.151 1.00 0.00 C ATOM 735 OG SER A 52 -6.256 -4.681 5.371 1.00 0.00 O ATOM 0 H SER A 52 -4.759 -1.037 5.262 1.00 0.00 H new ATOM 0 HA SER A 52 -5.036 -3.117 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.295 -4.580 4.760 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.714 -3.530 6.099 1.00 0.00 H new ATOM 0 HG SER A 52 -6.165 -5.562 4.952 1.00 0.00 H new ATOM 740 N ASN A 53 -7.161 -1.289 4.547 1.00 0.00 N ATOM 741 CA ASN A 53 -8.506 -0.790 4.433 1.00 0.00 C ATOM 742 C ASN A 53 -8.667 -0.003 3.127 1.00 0.00 C ATOM 743 O ASN A 53 -9.776 0.132 2.610 1.00 0.00 O ATOM 744 CB ASN A 53 -8.846 0.076 5.647 1.00 0.00 C ATOM 745 CG ASN A 53 -8.102 1.396 5.641 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.115 1.560 4.926 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.573 2.345 6.442 1.00 0.00 N ATOM 0 H ASN A 53 -6.534 -0.677 5.069 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.201 -1.629 4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.919 0.267 5.665 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.604 -0.470 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.113 3.254 6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.395 2.165 7.018 1.00 0.00 H new ATOM 753 N TYR A 54 -7.539 0.521 2.592 1.00 0.00 N ATOM 754 CA TYR A 54 -7.550 1.271 1.333 1.00 0.00 C ATOM 755 C TYR A 54 -7.532 0.287 0.140 1.00 0.00 C ATOM 756 O TYR A 54 -7.768 0.682 -1.003 1.00 0.00 O ATOM 757 CB TYR A 54 -6.337 2.231 1.215 1.00 0.00 C ATOM 758 CG TYR A 54 -6.584 3.683 1.558 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.799 4.056 2.871 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.548 4.688 0.588 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.975 5.374 3.215 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.730 6.010 0.928 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.942 6.350 2.240 1.00 0.00 C ATOM 764 OH TYR A 54 -7.121 7.673 2.576 1.00 0.00 O ATOM 0 H TYR A 54 -6.617 0.434 3.018 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.459 1.872 1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.544 1.858 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.962 2.182 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.829 3.298 3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.375 4.424 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.139 5.646 4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.706 6.775 0.166 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.001 7.789 2.991 1.00 0.00 H new ATOM 773 N VAL A 55 -7.246 -1.013 0.423 1.00 0.00 N ATOM 774 CA VAL A 55 -7.138 -2.044 -0.627 1.00 0.00 C ATOM 775 C VAL A 55 -7.725 -3.397 -0.216 1.00 0.00 C ATOM 776 O VAL A 55 -7.832 -3.713 0.969 1.00 0.00 O ATOM 777 CB VAL A 55 -5.671 -2.347 -0.995 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.974 -1.110 -1.522 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.930 -2.942 0.194 1.00 0.00 C ATOM 0 H VAL A 55 -7.088 -1.363 1.368 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.694 -1.615 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.666 -3.088 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.942 -1.353 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.490 -0.754 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.988 -0.332 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.897 -3.148 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.946 -2.235 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.415 -3.869 0.498 1.00 0.00 H new ATOM 789 N SER A 56 -8.098 -4.184 -1.216 1.00 0.00 N ATOM 790 CA SER A 56 -8.640 -5.523 -1.017 1.00 0.00 C ATOM 791 C SER A 56 -7.685 -6.580 -1.588 1.00 0.00 C ATOM 792 O SER A 56 -7.160 -6.412 -2.686 1.00 0.00 O ATOM 793 CB SER A 56 -9.980 -5.623 -1.717 1.00 0.00 C ATOM 794 OG SER A 56 -10.825 -6.571 -1.089 1.00 0.00 O ATOM 0 H SER A 56 -8.033 -3.910 -2.196 1.00 0.00 H new ATOM 0 HA SER A 56 -8.761 -5.703 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.465 -4.647 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.827 -5.904 -2.759 1.00 0.00 H new ATOM 0 HG SER A 56 -11.682 -6.610 -1.563 1.00 0.00 H new ATOM 799 N LEU A 57 -7.501 -7.687 -0.859 1.00 0.00 N ATOM 800 CA LEU A 57 -6.598 -8.750 -1.324 1.00 0.00 C ATOM 801 C LEU A 57 -7.302 -9.676 -2.306 1.00 0.00 C ATOM 802 O LEU A 57 -8.404 -10.159 -2.044 1.00 0.00 O ATOM 803 CB LEU A 57 -6.070 -9.593 -0.162 1.00 0.00 C ATOM 804 CG LEU A 57 -5.116 -8.890 0.808 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.785 -9.802 1.981 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.836 -8.474 0.098 1.00 0.00 C ATOM 0 H LEU A 57 -7.954 -7.870 0.037 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.763 -8.252 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.923 -9.965 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.559 -10.463 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.613 -7.995 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.106 -9.288 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.702 -10.061 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.310 -10.711 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.173 -7.976 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.340 -9.357 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.077 -7.790 -0.716 1.00 0.00 H new ATOM 817 N GLY A 58 -6.657 -9.917 -3.435 1.00 0.00 N ATOM 818 CA GLY A 58 -7.229 -10.780 -4.447 1.00 0.00 C ATOM 819 C GLY A 58 -6.999 -12.258 -4.162 1.00 0.00 C ATOM 820 O GLY A 58 -7.267 -13.105 -5.015 1.00 0.00 O ATOM 0 H GLY A 58 -5.743 -9.529 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.300 -10.591 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.798 -10.530 -5.417 1.00 0.00 H new ATOM 824 N ASN A 59 -6.504 -12.573 -2.965 1.00 0.00 N ATOM 825 CA ASN A 59 -6.235 -13.956 -2.586 1.00 0.00 C ATOM 826 C ASN A 59 -6.696 -14.228 -1.159 1.00 0.00 C ATOM 827 O ASN A 59 -7.402 -15.202 -0.909 1.00 0.00 O ATOM 828 CB ASN A 59 -4.743 -14.262 -2.721 1.00 0.00 C ATOM 829 CG ASN A 59 -4.414 -15.702 -2.378 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.074 -16.321 -1.544 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.386 -16.243 -3.024 1.00 0.00 N ATOM 0 H ASN A 59 -6.282 -11.888 -2.243 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.794 -14.607 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.423 -14.052 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.178 -13.598 -2.067 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.117 -17.209 -2.836 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.867 -15.693 -3.708 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -16.210 8.824 -10.954 1.00 0.00 N ATOM 839 CA ALA B 7 -15.351 7.888 -10.186 1.00 0.00 C ATOM 840 C ALA B 7 -15.723 7.866 -8.707 1.00 0.00 C ATOM 841 O ALA B 7 -16.217 8.842 -8.142 1.00 0.00 O ATOM 842 CB ALA B 7 -13.883 8.262 -10.335 1.00 0.00 C ATOM 0 HA ALA B 7 -15.515 6.891 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -13.270 7.564 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -13.601 8.217 -11.387 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -13.725 9.273 -9.960 1.00 0.00 H new ATOM 850 N LYS B 6 -15.462 6.702 -8.106 1.00 0.00 N ATOM 851 CA LYS B 6 -15.741 6.552 -6.677 1.00 0.00 C ATOM 852 C LYS B 6 -15.332 7.770 -5.842 1.00 0.00 C ATOM 853 O LYS B 6 -14.405 8.493 -6.207 1.00 0.00 O ATOM 854 CB LYS B 6 -15.148 5.242 -6.092 1.00 0.00 C ATOM 855 CG LYS B 6 -14.537 5.341 -4.693 1.00 0.00 C ATOM 856 CD LYS B 6 -15.608 5.452 -3.620 1.00 0.00 C ATOM 857 CE LYS B 6 -15.690 4.184 -2.785 1.00 0.00 C ATOM 858 NZ LYS B 6 -16.706 4.295 -1.701 1.00 0.00 N ATOM 0 H LYS B 6 -15.073 5.879 -8.566 1.00 0.00 H new ATOM 0 HA LYS B 6 -16.827 6.483 -6.606 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.937 4.490 -6.069 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.381 4.878 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -13.920 4.463 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.880 6.209 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -15.390 6.302 -2.973 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -16.574 5.645 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -15.938 3.341 -3.430 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -14.714 3.974 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -16.730 3.410 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -16.456 5.083 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.642 4.469 -2.119 1.00 0.00 H new ATOM 868 N LYS B 5 -16.019 7.999 -4.723 1.00 0.00 N ATOM 869 CA LYS B 5 -15.609 9.102 -3.860 1.00 0.00 C ATOM 870 C LYS B 5 -15.804 8.808 -2.379 1.00 0.00 C ATOM 871 O LYS B 5 -16.873 8.375 -1.951 1.00 0.00 O ATOM 872 CB LYS B 5 -16.379 10.365 -4.247 1.00 0.00 C ATOM 873 CG LYS B 5 -16.643 10.494 -5.739 1.00 0.00 C ATOM 874 CD LYS B 5 -17.423 11.759 -6.059 1.00 0.00 C ATOM 875 CE LYS B 5 -16.567 13.002 -5.871 1.00 0.00 C ATOM 876 NZ LYS B 5 -17.280 14.238 -6.295 1.00 0.00 N ATOM 0 H LYS B 5 -16.826 7.462 -4.404 1.00 0.00 H new ATOM 0 HA LYS B 5 -14.539 9.246 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -17.332 10.374 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.819 11.237 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -15.696 10.503 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -17.199 9.624 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -17.783 11.716 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -18.301 11.819 -5.416 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.280 13.090 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -15.647 12.899 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -16.662 15.062 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -17.531 14.166 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -18.145 14.351 -5.729 1.00 0.00 H new ATOM 886 N THR B 4 -14.736 9.057 -1.628 1.00 0.00 N ATOM 887 CA THR B 4 -14.647 8.810 -0.189 1.00 0.00 C ATOM 888 C THR B 4 -13.674 7.660 -0.015 1.00 0.00 C ATOM 889 O THR B 4 -13.899 6.566 -0.533 1.00 0.00 O ATOM 890 CB THR B 4 -15.975 8.436 0.501 1.00 0.00 C ATOM 891 OG1 THR B 4 -16.962 9.443 0.250 1.00 0.00 O ATOM 892 CG2 THR B 4 -15.779 8.276 2.001 1.00 0.00 C ATOM 0 H THR B 4 -13.878 9.450 -2.016 1.00 0.00 H new ATOM 0 HA THR B 4 -14.334 9.741 0.283 1.00 0.00 H new ATOM 0 HB THR B 4 -16.315 7.485 0.090 1.00 0.00 H new ATOM 0 HG1 THR B 4 -17.445 9.229 -0.575 1.00 0.00 H new ATOM 0 HG21 THR B 4 -16.729 8.012 2.466 1.00 0.00 H new ATOM 0 HG22 THR B 4 -15.051 7.487 2.191 1.00 0.00 H new ATOM 0 HG23 THR B 4 -15.417 9.214 2.423 1.00 0.00 H new ATOM 900 N LYS B 3 -12.598 7.897 0.710 1.00 0.00 N ATOM 901 CA LYS B 3 -11.614 6.855 0.934 1.00 0.00 C ATOM 902 C LYS B 3 -11.204 6.808 2.403 1.00 0.00 C ATOM 903 O LYS B 3 -10.946 7.845 3.014 1.00 0.00 O ATOM 904 CB LYS B 3 -10.390 7.057 0.033 1.00 0.00 C ATOM 905 CG LYS B 3 -10.099 8.518 -0.288 1.00 0.00 C ATOM 906 CD LYS B 3 -9.206 8.651 -1.510 1.00 0.00 C ATOM 907 CE LYS B 3 -7.832 9.188 -1.142 1.00 0.00 C ATOM 908 NZ LYS B 3 -7.919 10.490 -0.423 1.00 0.00 N ATOM 0 H LYS B 3 -12.384 8.792 1.150 1.00 0.00 H new ATOM 0 HA LYS B 3 -12.068 5.898 0.676 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.517 6.620 0.518 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.542 6.513 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -11.036 9.047 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.619 8.991 0.568 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -9.101 7.679 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.676 9.317 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.314 8.461 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.236 9.312 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -7.063 11.049 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -8.755 11.013 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -8.000 10.317 0.599 1.00 0.00 H new ATOM 918 N PRO B 2 -11.169 5.598 2.993 1.00 0.00 N ATOM 919 CA PRO B 2 -10.779 5.398 4.391 1.00 0.00 C ATOM 920 C PRO B 2 -9.569 6.236 4.783 1.00 0.00 C ATOM 921 O PRO B 2 -8.962 6.895 3.945 1.00 0.00 O ATOM 922 CB PRO B 2 -10.346 3.935 4.388 1.00 0.00 C ATOM 923 CG PRO B 2 -11.245 3.284 3.399 1.00 0.00 C ATOM 924 CD PRO B 2 -11.502 4.315 2.334 1.00 0.00 C ATOM 0 HA PRO B 2 -11.580 5.666 5.080 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.299 3.831 4.102 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.452 3.487 5.376 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.781 2.393 2.976 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -12.176 2.966 3.868 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.881 4.144 1.455 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.539 4.295 2.000 1.00 0.00 H new ATOM 929 N THR B 1 -9.252 6.248 6.067 1.00 0.00 N ATOM 930 CA THR B 1 -8.064 6.937 6.542 1.00 0.00 C ATOM 931 C THR B 1 -6.977 5.902 6.790 1.00 0.00 C ATOM 932 O THR B 1 -7.168 4.988 7.594 1.00 0.00 O ATOM 933 CB THR B 1 -8.336 7.720 7.841 1.00 0.00 C ATOM 934 OG1 THR B 1 -9.713 8.109 7.901 1.00 0.00 O ATOM 935 CG2 THR B 1 -7.453 8.957 7.923 1.00 0.00 C ATOM 0 H THR B 1 -9.798 5.790 6.797 1.00 0.00 H new ATOM 0 HA THR B 1 -7.753 7.657 5.785 1.00 0.00 H new ATOM 0 HB THR B 1 -8.105 7.070 8.685 1.00 0.00 H new ATOM 0 HG1 THR B 1 -9.877 8.604 8.730 1.00 0.00 H new ATOM 0 HG21 THR B 1 -7.663 9.493 8.848 1.00 0.00 H new ATOM 0 HG22 THR B 1 -6.405 8.658 7.907 1.00 0.00 H new ATOM 0 HG23 THR B 1 -7.658 9.607 7.072 1.00 0.00 H new ATOM 943 N PRO B 0 -5.819 6.006 6.114 1.00 0.00 N ATOM 944 CA PRO B 0 -4.744 5.026 6.273 1.00 0.00 C ATOM 945 C PRO B 0 -4.493 4.722 7.745 1.00 0.00 C ATOM 946 O PRO B 0 -3.997 5.570 8.486 1.00 0.00 O ATOM 947 CB PRO B 0 -3.555 5.713 5.606 1.00 0.00 C ATOM 948 CG PRO B 0 -4.204 6.514 4.533 1.00 0.00 C ATOM 949 CD PRO B 0 -5.429 7.092 5.193 1.00 0.00 C ATOM 0 HA PRO B 0 -4.964 4.055 5.829 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -3.005 6.343 6.306 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.845 4.992 5.201 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.542 7.298 4.166 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.468 5.893 3.677 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -5.209 8.018 5.724 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -6.214 7.317 4.471 1.00 0.00 H new ATOM 954 N PRO B -1 -4.834 3.499 8.188 1.00 0.00 N ATOM 955 CA PRO B -1 -4.689 3.106 9.588 1.00 0.00 C ATOM 956 C PRO B -1 -3.251 3.176 10.078 1.00 0.00 C ATOM 957 O PRO B -1 -2.317 3.280 9.285 1.00 0.00 O ATOM 958 CB PRO B -1 -5.191 1.657 9.624 1.00 0.00 C ATOM 959 CG PRO B -1 -5.120 1.181 8.215 1.00 0.00 C ATOM 960 CD PRO B -1 -5.345 2.393 7.356 1.00 0.00 C ATOM 0 HA PRO B -1 -5.244 3.779 10.242 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -4.572 1.043 10.278 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -6.210 1.603 10.006 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.151 0.728 8.005 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -5.876 0.420 8.022 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -4.809 2.321 6.410 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.400 2.525 7.115 1.00 0.00 H new ATOM 965 N PRO B -2 -3.068 3.130 11.410 1.00 0.00 N ATOM 966 CA PRO B -2 -1.748 3.160 12.038 1.00 0.00 C ATOM 967 C PRO B -2 -0.711 2.391 11.233 1.00 0.00 C ATOM 968 O PRO B -2 -1.063 1.550 10.411 1.00 0.00 O ATOM 969 CB PRO B -2 -2.019 2.409 13.338 1.00 0.00 C ATOM 970 CG PRO B -2 -3.408 2.796 13.711 1.00 0.00 C ATOM 971 CD PRO B -2 -4.145 3.041 12.419 1.00 0.00 C ATOM 0 HA PRO B -2 -1.352 4.170 12.144 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -1.931 1.331 13.199 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.307 2.690 14.114 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -3.889 2.006 14.288 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.408 3.691 14.333 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.838 2.230 12.194 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.731 3.959 12.461 1.00 0.00 H new ATOM 976 N LYS B -3 0.560 2.655 11.480 1.00 0.00 N ATOM 977 CA LYS B -3 1.635 1.984 10.768 1.00 0.00 C ATOM 978 C LYS B -3 2.726 1.588 11.739 1.00 0.00 C ATOM 979 O LYS B -3 3.217 2.425 12.497 1.00 0.00 O ATOM 980 CB LYS B -3 2.215 2.894 9.689 1.00 0.00 C ATOM 981 CG LYS B -3 1.160 3.596 8.859 1.00 0.00 C ATOM 982 CD LYS B -3 1.081 5.078 9.189 1.00 0.00 C ATOM 983 CE LYS B -3 0.740 5.304 10.652 1.00 0.00 C ATOM 984 NZ LYS B -3 0.509 6.744 10.957 1.00 0.00 N ATOM 0 H LYS B -3 0.875 3.334 12.173 1.00 0.00 H new ATOM 0 HA LYS B -3 1.230 1.091 10.292 1.00 0.00 H new ATOM 0 HB2 LYS B -3 2.852 3.642 10.160 1.00 0.00 H new ATOM 0 HB3 LYS B -3 2.851 2.303 9.030 1.00 0.00 H new ATOM 0 HG2 LYS B -3 1.386 3.470 7.800 1.00 0.00 H new ATOM 0 HG3 LYS B -3 0.190 3.132 9.035 1.00 0.00 H new ATOM 0 HD2 LYS B -3 2.034 5.555 8.958 1.00 0.00 H new ATOM 0 HD3 LYS B -3 0.327 5.552 8.561 1.00 0.00 H new ATOM 0 HE2 LYS B -3 -0.152 4.732 10.909 1.00 0.00 H new ATOM 0 HE3 LYS B -3 1.551 4.927 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 0.279 6.853 11.965 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 1.368 7.288 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 -0.282 7.098 10.382 1.00 0.00 H new ATOM 994 N PRO B -4 3.131 0.314 11.744 1.00 0.00 N ATOM 995 CA PRO B -4 4.160 -0.122 12.664 1.00 0.00 C ATOM 996 C PRO B -4 5.428 0.695 12.426 1.00 0.00 C ATOM 997 O PRO B -4 5.982 0.721 11.328 1.00 0.00 O ATOM 998 CB PRO B -4 4.306 -1.627 12.407 1.00 0.00 C ATOM 999 CG PRO B -4 3.227 -2.006 11.453 1.00 0.00 C ATOM 1000 CD PRO B -4 2.617 -0.756 10.891 1.00 0.00 C ATOM 0 HA PRO B -4 3.924 0.037 13.716 1.00 0.00 H new ATOM 0 HB2 PRO B -4 5.287 -1.855 11.991 1.00 0.00 H new ATOM 0 HB3 PRO B -4 4.215 -2.189 13.337 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.632 -2.622 10.650 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.468 -2.602 11.959 1.00 0.00 H new ATOM 0 HD2 PRO B -4 2.904 -0.607 9.850 1.00 0.00 H new ATOM 0 HD3 PRO B -4 1.528 -0.798 10.919 1.00 0.00 H new ATOM 1005 N SER B -5 5.862 1.367 13.486 1.00 0.00 N ATOM 1006 CA SER B -5 6.979 2.309 13.437 1.00 0.00 C ATOM 1007 C SER B -5 8.347 1.755 13.029 1.00 0.00 C ATOM 1008 O SER B -5 9.324 2.501 12.953 1.00 0.00 O ATOM 1009 CB SER B -5 7.046 3.071 14.761 1.00 0.00 C ATOM 1010 OG SER B -5 5.749 3.344 15.262 1.00 0.00 O ATOM 0 H SER B -5 5.446 1.274 14.413 1.00 0.00 H new ATOM 0 HA SER B -5 6.752 2.976 12.606 1.00 0.00 H new ATOM 0 HB2 SER B -5 7.605 2.487 15.492 1.00 0.00 H new ATOM 0 HB3 SER B -5 7.588 4.006 14.618 1.00 0.00 H new ATOM 0 HG SER B -5 5.821 3.830 16.110 1.00 0.00 H new ATOM 1015 N HIS B -6 8.418 0.452 12.770 1.00 0.00 N ATOM 1016 CA HIS B -6 9.660 -0.170 12.316 1.00 0.00 C ATOM 1017 C HIS B -6 9.718 -0.204 10.781 1.00 0.00 C ATOM 1018 O HIS B -6 10.723 -0.614 10.199 1.00 0.00 O ATOM 1019 CB HIS B -6 9.788 -1.599 12.854 1.00 0.00 C ATOM 1020 CG HIS B -6 8.501 -2.362 12.862 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.589 -2.288 13.893 1.00 0.00 N ATOM 1022 CD2 HIS B -6 7.974 -3.223 11.958 1.00 0.00 C ATOM 1023 CE1 HIS B -6 6.558 -3.070 13.625 1.00 0.00 C ATOM 1024 NE2 HIS B -6 6.767 -3.648 12.457 1.00 0.00 N ATOM 0 H HIS B -6 7.633 -0.192 12.866 1.00 0.00 H new ATOM 0 HA HIS B -6 10.486 0.430 12.698 1.00 0.00 H new ATOM 0 HB2 HIS B -6 10.516 -2.140 12.250 1.00 0.00 H new ATOM 0 HB3 HIS B -6 10.182 -1.560 13.869 1.00 0.00 H new ATOM 0 HD2 HIS B -6 8.420 -3.520 11.020 1.00 0.00 H new ATOM 0 HE1 HIS B -6 5.692 -3.212 14.254 1.00 0.00 H new ATOM 0 HE2 HIS B -6 6.134 -4.304 11.999 1.00 0.00 H new ATOM 1032 N LEU B -7 8.632 0.231 10.137 1.00 0.00 N ATOM 1033 CA LEU B -7 8.593 0.204 8.674 1.00 0.00 C ATOM 1034 C LEU B -7 8.487 1.589 8.046 1.00 0.00 C ATOM 1035 O LEU B -7 7.711 1.803 7.116 1.00 0.00 O ATOM 1036 CB LEU B -7 7.482 -0.734 8.164 1.00 0.00 C ATOM 1037 CG LEU B -7 6.537 -1.350 9.205 1.00 0.00 C ATOM 1038 CD1 LEU B -7 5.092 -1.004 8.871 1.00 0.00 C ATOM 1039 CD2 LEU B -7 6.729 -2.859 9.257 1.00 0.00 C ATOM 0 H LEU B -7 7.793 0.595 10.588 1.00 0.00 H new ATOM 0 HA LEU B -7 9.554 -0.196 8.351 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.876 -0.179 7.448 1.00 0.00 H new ATOM 0 HB3 LEU B -7 7.956 -1.549 7.617 1.00 0.00 H new ATOM 0 HG LEU B -7 6.772 -0.938 10.186 1.00 0.00 H new ATOM 0 HD11 LEU B -7 4.430 -1.446 9.616 1.00 0.00 H new ATOM 0 HD12 LEU B -7 4.968 0.079 8.872 1.00 0.00 H new ATOM 0 HD13 LEU B -7 4.842 -1.397 7.885 1.00 0.00 H new ATOM 0 HD21 LEU B -7 6.054 -3.286 9.999 1.00 0.00 H new ATOM 0 HD22 LEU B -7 6.511 -3.287 8.279 1.00 0.00 H new ATOM 0 HD23 LEU B -7 7.759 -3.085 9.531 1.00 0.00 H new ATOM 1050 N LYS B -8 9.273 2.528 8.561 1.00 0.00 N ATOM 1051 CA LYS B -8 9.305 3.885 8.030 1.00 0.00 C ATOM 1052 C LYS B -8 10.692 4.188 7.469 1.00 0.00 C ATOM 1053 O LYS B -8 11.632 3.422 7.684 1.00 0.00 O ATOM 1054 CB LYS B -8 8.939 4.893 9.122 1.00 0.00 C ATOM 1055 CG LYS B -8 7.444 5.159 9.230 1.00 0.00 C ATOM 1056 CD LYS B -8 6.703 3.966 9.812 1.00 0.00 C ATOM 1057 CE LYS B -8 5.217 4.025 9.496 1.00 0.00 C ATOM 1058 NZ LYS B -8 4.958 3.988 8.029 1.00 0.00 N ATOM 0 H LYS B -8 9.900 2.372 9.350 1.00 0.00 H new ATOM 0 HA LYS B -8 8.573 3.969 7.227 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.304 4.526 10.081 1.00 0.00 H new ATOM 0 HB3 LYS B -8 9.453 5.833 8.924 1.00 0.00 H new ATOM 0 HG2 LYS B -8 7.274 6.034 9.857 1.00 0.00 H new ATOM 0 HG3 LYS B -8 7.043 5.391 8.243 1.00 0.00 H new ATOM 0 HD2 LYS B -8 7.125 3.044 9.412 1.00 0.00 H new ATOM 0 HD3 LYS B -8 6.846 3.939 10.892 1.00 0.00 H new ATOM 0 HE2 LYS B -8 4.711 3.187 9.975 1.00 0.00 H new ATOM 0 HE3 LYS B -8 4.793 4.937 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 3.948 3.809 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.224 4.900 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 5.522 3.229 7.596 1.00 0.00 H new ATOM 1068 N PRO B -9 10.845 5.305 6.741 1.00 0.00 N ATOM 1069 CA PRO B -9 12.132 5.680 6.146 1.00 0.00 C ATOM 1070 C PRO B -9 13.204 5.916 7.205 1.00 0.00 C ATOM 1071 O PRO B -9 12.885 6.278 8.337 1.00 0.00 O ATOM 1072 CB PRO B -9 11.829 6.992 5.411 1.00 0.00 C ATOM 1073 CG PRO B -9 10.346 7.024 5.259 1.00 0.00 C ATOM 1074 CD PRO B -9 9.791 6.284 6.443 1.00 0.00 C ATOM 0 HA PRO B -9 12.520 4.894 5.499 1.00 0.00 H new ATOM 0 HB2 PRO B -9 12.185 7.852 5.978 1.00 0.00 H new ATOM 0 HB3 PRO B -9 12.325 7.023 4.441 1.00 0.00 H new ATOM 0 HG2 PRO B -9 9.979 8.050 5.233 1.00 0.00 H new ATOM 0 HG3 PRO B -9 10.039 6.552 4.325 1.00 0.00 H new ATOM 0 HD2 PRO B -9 9.608 6.950 7.286 1.00 0.00 H new ATOM 0 HD3 PRO B -9 8.843 5.799 6.208 1.00 0.00 H new ATOM 1079 N LYS B -10 14.472 5.715 6.856 1.00 0.00 N ATOM 1080 CA LYS B -10 15.556 5.952 7.802 1.00 0.00 C ATOM 1081 C LYS B -10 15.802 7.447 7.987 1.00 0.00 C ATOM 1082 O LYS B -10 15.867 7.932 9.114 1.00 0.00 O ATOM 1083 CB LYS B -10 16.837 5.269 7.322 1.00 0.00 C ATOM 1084 CG LYS B -10 16.751 3.752 7.318 1.00 0.00 C ATOM 1085 CD LYS B -10 17.948 3.124 8.015 1.00 0.00 C ATOM 1086 CE LYS B -10 19.007 2.684 7.017 1.00 0.00 C ATOM 1087 NZ LYS B -10 19.990 3.767 6.737 1.00 0.00 N ATOM 0 H LYS B -10 14.771 5.392 5.936 1.00 0.00 H new ATOM 0 HA LYS B -10 15.264 5.529 8.763 1.00 0.00 H new ATOM 0 HB2 LYS B -10 17.068 5.614 6.314 1.00 0.00 H new ATOM 0 HB3 LYS B -10 17.665 5.576 7.961 1.00 0.00 H new ATOM 0 HG2 LYS B -10 15.833 3.437 7.815 1.00 0.00 H new ATOM 0 HG3 LYS B -10 16.697 3.392 6.290 1.00 0.00 H new ATOM 0 HD2 LYS B -10 18.380 3.840 8.714 1.00 0.00 H new ATOM 0 HD3 LYS B -10 17.620 2.265 8.601 1.00 0.00 H new ATOM 0 HE2 LYS B -10 19.530 1.810 7.405 1.00 0.00 H new ATOM 0 HE3 LYS B -10 18.526 2.381 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 20.695 3.427 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 19.495 4.592 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 20.468 4.039 7.620 1.00 0.00 H new TER 1097 LYS B -10