USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 993 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 109 GLN : amide:sc= -0.0809 K(o=0.19,f=-0.38) USER MOD Set 1.2: A 115 HIS : no HE2:sc= 0.266 K(o=0.19,f=-8.1!) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -143:sc= 0.797 (180deg=-1.16) USER MOD Set 2.2: A 84 THR OG1 : rot 91:sc= 1.56 USER MOD Set 3.1: A 31 TYR OH : rot -105:sc= 1.01 USER MOD Set 3.2: A 82 TYR OH : rot 130:sc= 0.957 USER MOD Single : A 1 LYS N :NH3+ -135:sc= -0.0121 (180deg=-0.226) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc=-0.00167 K(o=-0.0017,f=-0.84) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 9 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0794 (180deg=-0.474) USER MOD Single : A 19 SER OG : rot 84:sc= 1.25 USER MOD Single : A 23 THR OG1 : rot 83:sc= 1.32 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 55:sc= 0.0142 USER MOD Single : A 26 THR OG1 : rot -100:sc= -0.669 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.6) USER MOD Single : A 34 SER OG : rot -78:sc= 0.875 USER MOD Single : A 37 THR OG1 : rot -7:sc= -1.66! USER MOD Single : A 41 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.186 K(o=0.19,f=-3.9!) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 1.2 (180deg=1.07) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 1.15 (180deg=0.553) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0338) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -173:sc= -0.655 (180deg=-0.808) USER MOD Single : A 81 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.92) USER MOD Single : A 87 MET CE :methyl -169:sc= -1.59 (180deg=-1.68) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.13) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 161:sc= -8.27! (180deg=-9.88!) USER MOD Single : A 99 ASN : amide:sc= -0.236 K(o=-0.24,f=-9.7!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -170:sc=-0.00315 (180deg=-0.13) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0535 K(o=-0.053,f=-0.96) USER MOD Single : A 117 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.015) USER MOD Single : A 118 HIS : no HD1:sc= -0.187 X(o=-0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.323 18.810 -15.712 1.00 0.00 N ATOM 2 CA LYS A 1 -21.453 18.039 -14.455 1.00 0.00 C ATOM 3 C LYS A 1 -22.883 17.549 -14.288 1.00 0.00 C ATOM 4 O LYS A 1 -23.799 18.057 -14.934 1.00 0.00 O ATOM 5 CB LYS A 1 -21.075 18.907 -13.251 1.00 0.00 C ATOM 6 CG LYS A 1 -19.670 19.481 -13.314 1.00 0.00 C ATOM 7 CD LYS A 1 -19.383 20.359 -12.108 1.00 0.00 C ATOM 8 CE LYS A 1 -18.029 21.036 -12.221 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.750 21.910 -11.052 1.00 0.00 N ATOM 0 H1 LYS A 1 -20.461 18.514 -16.213 1.00 0.00 H new ATOM 0 H2 LYS A 1 -22.152 18.633 -16.315 1.00 0.00 H new ATOM 0 H3 LYS A 1 -21.265 19.825 -15.492 1.00 0.00 H new ATOM 0 HA LYS A 1 -20.777 17.185 -14.507 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -21.788 19.728 -13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -21.172 18.311 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.944 18.669 -13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -19.552 20.063 -14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -20.162 21.115 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.414 19.755 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.250 20.278 -12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -17.994 21.629 -13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.817 22.355 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.480 22.648 -10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.758 21.340 -10.182 1.00 0.00 H new ATOM 25 N SER A 2 -23.067 16.563 -13.425 1.00 0.00 N ATOM 26 CA SER A 2 -24.391 16.049 -13.125 1.00 0.00 C ATOM 27 C SER A 2 -24.621 16.076 -11.616 1.00 0.00 C ATOM 28 O SER A 2 -23.669 16.193 -10.842 1.00 0.00 O ATOM 29 CB SER A 2 -24.539 14.622 -13.671 1.00 0.00 C ATOM 30 OG SER A 2 -25.861 14.130 -13.503 1.00 0.00 O ATOM 0 H SER A 2 -22.311 16.102 -12.918 1.00 0.00 H new ATOM 0 HA SER A 2 -25.141 16.678 -13.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.277 14.608 -14.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.837 13.962 -13.160 1.00 0.00 H new ATOM 0 HG SER A 2 -25.920 13.220 -13.863 1.00 0.00 H new ATOM 36 N VAL A 3 -25.879 15.977 -11.203 1.00 0.00 N ATOM 37 CA VAL A 3 -26.223 15.983 -9.786 1.00 0.00 C ATOM 38 C VAL A 3 -25.766 14.686 -9.122 1.00 0.00 C ATOM 39 O VAL A 3 -25.343 14.678 -7.966 1.00 0.00 O ATOM 40 CB VAL A 3 -27.744 16.162 -9.582 1.00 0.00 C ATOM 41 CG1 VAL A 3 -28.090 16.263 -8.103 1.00 0.00 C ATOM 42 CG2 VAL A 3 -28.238 17.390 -10.331 1.00 0.00 C ATOM 0 H VAL A 3 -26.679 15.891 -11.830 1.00 0.00 H new ATOM 0 HA VAL A 3 -25.710 16.826 -9.323 1.00 0.00 H new ATOM 0 HB VAL A 3 -28.246 15.282 -9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.167 16.388 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -27.775 15.353 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -27.577 17.120 -7.667 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -29.311 17.503 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -27.723 18.275 -9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -28.034 17.273 -11.395 1.00 0.00 H new ATOM 52 N GLN A 4 -25.841 13.596 -9.870 1.00 0.00 N ATOM 53 CA GLN A 4 -25.429 12.292 -9.374 1.00 0.00 C ATOM 54 C GLN A 4 -24.293 11.737 -10.222 1.00 0.00 C ATOM 55 O GLN A 4 -24.356 11.771 -11.454 1.00 0.00 O ATOM 56 CB GLN A 4 -26.607 11.317 -9.389 1.00 0.00 C ATOM 57 CG GLN A 4 -27.699 11.645 -8.385 1.00 0.00 C ATOM 58 CD GLN A 4 -28.906 10.738 -8.527 1.00 0.00 C ATOM 59 OE1 GLN A 4 -29.236 10.292 -9.626 1.00 0.00 O ATOM 60 NE2 GLN A 4 -29.565 10.448 -7.418 1.00 0.00 N ATOM 0 H GLN A 4 -26.186 13.589 -10.830 1.00 0.00 H new ATOM 0 HA GLN A 4 -25.082 12.412 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -27.040 11.304 -10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -26.235 10.312 -9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -27.299 11.557 -7.375 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -28.009 12.682 -8.516 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -29.259 10.838 -6.526 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -30.379 9.834 -7.454 1.00 0.00 H new ATOM 69 N GLU A 5 -23.253 11.244 -9.564 1.00 0.00 N ATOM 70 CA GLU A 5 -22.131 10.634 -10.260 1.00 0.00 C ATOM 71 C GLU A 5 -22.435 9.181 -10.600 1.00 0.00 C ATOM 72 O GLU A 5 -22.976 8.436 -9.781 1.00 0.00 O ATOM 73 CB GLU A 5 -20.855 10.725 -9.421 1.00 0.00 C ATOM 74 CG GLU A 5 -20.291 12.132 -9.326 1.00 0.00 C ATOM 75 CD GLU A 5 -19.042 12.207 -8.474 1.00 0.00 C ATOM 76 OE1 GLU A 5 -18.010 11.624 -8.869 1.00 0.00 O ATOM 77 OE2 GLU A 5 -19.079 12.865 -7.414 1.00 0.00 O ATOM 0 H GLU A 5 -23.164 11.255 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 5 -21.973 11.183 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.063 10.357 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.099 10.068 -9.851 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.064 12.496 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.049 12.795 -8.910 1.00 0.00 H new ATOM 84 N LYS A 6 -22.078 8.790 -11.817 1.00 0.00 N ATOM 85 CA LYS A 6 -22.324 7.435 -12.302 1.00 0.00 C ATOM 86 C LYS A 6 -21.487 6.418 -11.532 1.00 0.00 C ATOM 87 O LYS A 6 -21.828 5.239 -11.460 1.00 0.00 O ATOM 88 CB LYS A 6 -22.014 7.353 -13.798 1.00 0.00 C ATOM 89 CG LYS A 6 -22.826 8.329 -14.635 1.00 0.00 C ATOM 90 CD LYS A 6 -22.407 8.301 -16.096 1.00 0.00 C ATOM 91 CE LYS A 6 -23.216 9.291 -16.923 1.00 0.00 C ATOM 92 NZ LYS A 6 -22.785 9.319 -18.346 1.00 0.00 N ATOM 0 H LYS A 6 -21.613 9.397 -12.492 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.376 7.197 -12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.953 7.547 -13.953 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.206 6.338 -14.147 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.885 8.083 -14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.702 9.337 -14.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.346 8.538 -16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.540 7.296 -16.496 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.272 9.028 -16.870 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.114 10.288 -16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -23.363 10.006 -18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.784 9.596 -18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -22.906 8.375 -18.764 1.00 0.00 H new ATOM 106 N ARG A 7 -20.390 6.888 -10.956 1.00 0.00 N ATOM 107 CA ARG A 7 -19.525 6.046 -10.147 1.00 0.00 C ATOM 108 C ARG A 7 -19.195 6.735 -8.834 1.00 0.00 C ATOM 109 O ARG A 7 -18.404 7.676 -8.807 1.00 0.00 O ATOM 110 CB ARG A 7 -18.225 5.726 -10.886 1.00 0.00 C ATOM 111 CG ARG A 7 -18.351 4.631 -11.933 1.00 0.00 C ATOM 112 CD ARG A 7 -17.003 4.327 -12.562 1.00 0.00 C ATOM 113 NE ARG A 7 -15.956 4.168 -11.549 1.00 0.00 N ATOM 114 CZ ARG A 7 -14.656 4.062 -11.821 1.00 0.00 C ATOM 115 NH1 ARG A 7 -14.233 4.051 -13.078 1.00 0.00 N ATOM 116 NH2 ARG A 7 -13.781 3.968 -10.826 1.00 0.00 N ATOM 0 H ARG A 7 -20.077 7.856 -11.036 1.00 0.00 H new ATOM 0 HA ARG A 7 -20.058 5.116 -9.949 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.863 6.634 -11.369 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -17.470 5.430 -10.157 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -18.755 3.728 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -19.056 4.939 -12.705 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.076 3.416 -13.156 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.730 5.132 -13.244 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.242 4.136 -10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -14.904 4.124 -13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.237 3.970 -13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.105 3.977 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.785 3.887 -11.029 1.00 0.00 H new ATOM 130 N ASN A 8 -19.814 6.285 -7.756 1.00 0.00 N ATOM 131 CA ASN A 8 -19.516 6.815 -6.433 1.00 0.00 C ATOM 132 C ASN A 8 -18.221 6.208 -5.918 1.00 0.00 C ATOM 133 O ASN A 8 -18.167 5.023 -5.581 1.00 0.00 O ATOM 134 CB ASN A 8 -20.659 6.524 -5.455 1.00 0.00 C ATOM 135 CG ASN A 8 -20.376 7.029 -4.052 1.00 0.00 C ATOM 136 OD1 ASN A 8 -19.714 8.051 -3.860 1.00 0.00 O ATOM 137 ND2 ASN A 8 -20.862 6.304 -3.058 1.00 0.00 N ATOM 0 H ASN A 8 -20.526 5.554 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.404 7.896 -6.511 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.574 6.986 -5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -20.837 5.449 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.693 6.585 -2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.405 5.464 -3.258 1.00 0.00 H new ATOM 144 N ASN A 9 -17.171 7.011 -5.885 1.00 0.00 N ATOM 145 CA ASN A 9 -15.862 6.533 -5.469 1.00 0.00 C ATOM 146 C ASN A 9 -15.766 6.450 -3.956 1.00 0.00 C ATOM 147 O ASN A 9 -15.641 7.466 -3.270 1.00 0.00 O ATOM 148 CB ASN A 9 -14.753 7.432 -6.019 1.00 0.00 C ATOM 149 CG ASN A 9 -14.564 7.268 -7.514 1.00 0.00 C ATOM 150 OD1 ASN A 9 -14.773 6.186 -8.061 1.00 0.00 O ATOM 151 ND2 ASN A 9 -14.176 8.340 -8.187 1.00 0.00 N ATOM 0 H ASN A 9 -17.199 7.998 -6.141 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.732 5.531 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.989 8.473 -5.797 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.817 7.202 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -14.040 8.287 -9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.013 9.219 -7.696 1.00 0.00 H new ATOM 158 N THR A 10 -15.870 5.238 -3.437 1.00 0.00 N ATOM 159 CA THR A 10 -15.669 4.992 -2.021 1.00 0.00 C ATOM 160 C THR A 10 -14.199 5.222 -1.667 1.00 0.00 C ATOM 161 O THR A 10 -13.314 4.891 -2.456 1.00 0.00 O ATOM 162 CB THR A 10 -16.061 3.543 -1.664 1.00 0.00 C ATOM 163 OG1 THR A 10 -17.279 3.187 -2.338 1.00 0.00 O ATOM 164 CG2 THR A 10 -16.249 3.380 -0.162 1.00 0.00 C ATOM 0 H THR A 10 -16.094 4.404 -3.981 1.00 0.00 H new ATOM 0 HA THR A 10 -16.298 5.677 -1.453 1.00 0.00 H new ATOM 0 HB THR A 10 -15.254 2.885 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.522 2.266 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.525 2.349 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.318 3.625 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 10 -17.039 4.049 0.181 1.00 0.00 H new ATOM 172 N ARG A 11 -13.933 5.779 -0.488 1.00 0.00 N ATOM 173 CA ARG A 11 -12.559 6.028 -0.059 1.00 0.00 C ATOM 174 C ARG A 11 -11.937 4.758 0.513 1.00 0.00 C ATOM 175 O ARG A 11 -10.960 4.811 1.260 1.00 0.00 O ATOM 176 CB ARG A 11 -12.495 7.146 0.983 1.00 0.00 C ATOM 177 CG ARG A 11 -13.027 8.485 0.496 1.00 0.00 C ATOM 178 CD ARG A 11 -12.730 9.587 1.501 1.00 0.00 C ATOM 179 NE ARG A 11 -13.098 9.197 2.866 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.389 10.052 3.844 1.00 0.00 C ATOM 181 NH1 ARG A 11 -13.395 11.362 3.620 1.00 0.00 N ATOM 182 NH2 ARG A 11 -13.665 9.584 5.054 1.00 0.00 N ATOM 0 H ARG A 11 -14.645 6.065 0.184 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.994 6.341 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.062 6.841 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.460 7.273 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.575 8.732 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.103 8.416 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.668 9.832 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.275 10.489 1.222 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.133 8.201 3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.175 11.722 2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.619 12.008 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.653 8.579 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.889 10.229 5.811 1.00 0.00 H new ATOM 196 N ALA A 12 -12.518 3.619 0.162 1.00 0.00 N ATOM 197 CA ALA A 12 -11.974 2.332 0.551 1.00 0.00 C ATOM 198 C ALA A 12 -10.673 2.084 -0.188 1.00 0.00 C ATOM 199 O ALA A 12 -10.573 2.347 -1.390 1.00 0.00 O ATOM 200 CB ALA A 12 -12.969 1.216 0.267 1.00 0.00 C ATOM 0 H ALA A 12 -13.371 3.564 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.779 2.343 1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.539 0.260 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.886 1.394 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.196 1.193 -0.799 1.00 0.00 H new ATOM 206 N PHE A 13 -9.683 1.585 0.535 1.00 0.00 N ATOM 207 CA PHE A 13 -8.357 1.353 -0.016 1.00 0.00 C ATOM 208 C PHE A 13 -8.422 0.478 -1.268 1.00 0.00 C ATOM 209 O PHE A 13 -7.626 0.646 -2.180 1.00 0.00 O ATOM 210 CB PHE A 13 -7.465 0.695 1.037 1.00 0.00 C ATOM 211 CG PHE A 13 -5.996 0.916 0.814 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.268 0.087 -0.024 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.344 1.957 1.451 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.917 0.295 -0.221 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.993 2.171 1.259 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.279 1.339 0.422 1.00 0.00 C ATOM 0 H PHE A 13 -9.775 1.330 1.518 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.933 2.316 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.735 1.080 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.664 -0.377 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.762 -0.730 -0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.899 2.611 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.360 -0.357 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.497 2.987 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.223 1.503 0.269 1.00 0.00 H new ATOM 226 N LYS A 14 -9.385 -0.440 -1.308 1.00 0.00 N ATOM 227 CA LYS A 14 -9.562 -1.324 -2.460 1.00 0.00 C ATOM 228 C LYS A 14 -9.785 -0.520 -3.734 1.00 0.00 C ATOM 229 O LYS A 14 -9.042 -0.650 -4.709 1.00 0.00 O ATOM 230 CB LYS A 14 -10.762 -2.251 -2.256 1.00 0.00 C ATOM 231 CG LYS A 14 -10.704 -3.080 -0.990 1.00 0.00 C ATOM 232 CD LYS A 14 -11.828 -4.103 -0.956 1.00 0.00 C ATOM 233 CE LYS A 14 -11.687 -5.110 -2.086 1.00 0.00 C ATOM 234 NZ LYS A 14 -12.756 -6.142 -2.056 1.00 0.00 N ATOM 0 H LYS A 14 -10.056 -0.592 -0.555 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.652 -1.916 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.671 -1.650 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.837 -2.922 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.742 -3.589 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.775 -2.427 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.821 -4.623 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.789 -3.595 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.716 -4.587 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.714 -5.596 -2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.619 -6.806 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.713 -6.660 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.685 -5.683 -2.147 1.00 0.00 H new ATOM 248 N THR A 15 -10.815 0.312 -3.704 1.00 0.00 N ATOM 249 CA THR A 15 -11.213 1.103 -4.855 1.00 0.00 C ATOM 250 C THR A 15 -10.106 2.067 -5.264 1.00 0.00 C ATOM 251 O THR A 15 -9.843 2.268 -6.451 1.00 0.00 O ATOM 252 CB THR A 15 -12.499 1.892 -4.537 1.00 0.00 C ATOM 253 OG1 THR A 15 -13.485 1.001 -3.996 1.00 0.00 O ATOM 254 CG2 THR A 15 -13.055 2.569 -5.783 1.00 0.00 C ATOM 0 H THR A 15 -11.398 0.457 -2.880 1.00 0.00 H new ATOM 0 HA THR A 15 -11.402 0.422 -5.685 1.00 0.00 H new ATOM 0 HB THR A 15 -12.254 2.666 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.302 1.502 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.961 3.117 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.314 3.261 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.288 1.814 -6.534 1.00 0.00 H new ATOM 262 N VAL A 16 -9.439 2.634 -4.276 1.00 0.00 N ATOM 263 CA VAL A 16 -8.414 3.628 -4.530 1.00 0.00 C ATOM 264 C VAL A 16 -7.112 2.986 -5.001 1.00 0.00 C ATOM 265 O VAL A 16 -6.477 3.480 -5.928 1.00 0.00 O ATOM 266 CB VAL A 16 -8.176 4.506 -3.289 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.077 5.526 -3.561 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.482 5.193 -2.916 1.00 0.00 C ATOM 0 H VAL A 16 -9.589 2.423 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.774 4.269 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.847 3.886 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.921 6.139 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.152 5.006 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.371 6.164 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.326 5.819 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.818 5.813 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.239 4.440 -2.696 1.00 0.00 H new ATOM 278 N ALA A 17 -6.732 1.874 -4.386 1.00 0.00 N ATOM 279 CA ALA A 17 -5.530 1.153 -4.797 1.00 0.00 C ATOM 280 C ALA A 17 -5.669 0.654 -6.226 1.00 0.00 C ATOM 281 O ALA A 17 -4.709 0.670 -6.991 1.00 0.00 O ATOM 282 CB ALA A 17 -5.244 -0.009 -3.859 1.00 0.00 C ATOM 0 H ALA A 17 -7.234 1.452 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.690 1.846 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.344 -0.529 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.096 0.368 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.087 -0.700 -3.869 1.00 0.00 H new ATOM 288 N LYS A 18 -6.874 0.225 -6.588 1.00 0.00 N ATOM 289 CA LYS A 18 -7.136 -0.228 -7.945 1.00 0.00 C ATOM 290 C LYS A 18 -7.014 0.936 -8.920 1.00 0.00 C ATOM 291 O LYS A 18 -6.427 0.801 -9.994 1.00 0.00 O ATOM 292 CB LYS A 18 -8.524 -0.863 -8.052 1.00 0.00 C ATOM 293 CG LYS A 18 -8.843 -1.375 -9.447 1.00 0.00 C ATOM 294 CD LYS A 18 -10.157 -2.134 -9.488 1.00 0.00 C ATOM 295 CE LYS A 18 -10.446 -2.655 -10.887 1.00 0.00 C ATOM 296 NZ LYS A 18 -9.334 -3.496 -11.408 1.00 0.00 N ATOM 0 H LYS A 18 -7.679 0.182 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.395 -0.985 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.594 -1.689 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.275 -0.129 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.888 -0.535 -10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.038 -2.026 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.121 -2.968 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.968 -1.481 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.367 -3.238 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.611 -1.814 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.672 -4.058 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.551 -2.885 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.000 -4.134 -10.658 1.00 0.00 H new ATOM 310 N SER A 19 -7.555 2.082 -8.525 1.00 0.00 N ATOM 311 CA SER A 19 -7.479 3.286 -9.338 1.00 0.00 C ATOM 312 C SER A 19 -6.030 3.760 -9.443 1.00 0.00 C ATOM 313 O SER A 19 -5.595 4.256 -10.483 1.00 0.00 O ATOM 314 CB SER A 19 -8.358 4.378 -8.728 1.00 0.00 C ATOM 315 OG SER A 19 -9.686 3.911 -8.541 1.00 0.00 O ATOM 0 H SER A 19 -8.053 2.201 -7.643 1.00 0.00 H new ATOM 0 HA SER A 19 -7.841 3.064 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.941 4.695 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.364 5.252 -9.379 1.00 0.00 H new ATOM 0 HG SER A 19 -9.746 3.427 -7.691 1.00 0.00 H new ATOM 321 N TRP A 20 -5.289 3.587 -8.357 1.00 0.00 N ATOM 322 CA TRP A 20 -3.873 3.914 -8.326 1.00 0.00 C ATOM 323 C TRP A 20 -3.099 2.984 -9.255 1.00 0.00 C ATOM 324 O TRP A 20 -2.324 3.440 -10.090 1.00 0.00 O ATOM 325 CB TRP A 20 -3.342 3.805 -6.892 1.00 0.00 C ATOM 326 CG TRP A 20 -1.872 4.073 -6.758 1.00 0.00 C ATOM 327 CD1 TRP A 20 -1.260 5.290 -6.693 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.832 3.093 -6.658 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.100 5.127 -6.563 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.386 3.786 -6.538 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.815 1.695 -6.658 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.608 3.128 -6.420 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.396 1.043 -6.542 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.594 1.760 -6.423 1.00 0.00 C ATOM 0 H TRP A 20 -5.652 3.218 -7.478 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.737 4.939 -8.671 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.887 4.507 -6.261 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.554 2.805 -6.513 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.768 6.242 -6.737 1.00 0.00 H new ATOM 0 HE1 TRP A 20 0.784 5.881 -6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.734 1.135 -6.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.533 3.678 -6.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.421 -0.037 -6.543 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.526 1.221 -6.332 1.00 0.00 H new ATOM 345 N PHE A 21 -3.334 1.685 -9.118 1.00 0.00 N ATOM 346 CA PHE A 21 -2.654 0.681 -9.934 1.00 0.00 C ATOM 347 C PHE A 21 -2.963 0.873 -11.418 1.00 0.00 C ATOM 348 O PHE A 21 -2.109 0.646 -12.273 1.00 0.00 O ATOM 349 CB PHE A 21 -3.064 -0.726 -9.482 1.00 0.00 C ATOM 350 CG PHE A 21 -2.391 -1.835 -10.243 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.065 -2.152 -9.998 1.00 0.00 C ATOM 352 CD2 PHE A 21 -3.085 -2.557 -11.202 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.443 -3.169 -10.696 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.467 -3.576 -11.902 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.145 -3.882 -11.649 1.00 0.00 C ATOM 0 H PHE A 21 -3.995 1.298 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.579 0.802 -9.798 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.836 -0.836 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.144 -0.830 -9.588 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.512 -1.598 -9.254 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.119 -2.321 -11.404 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.592 -3.407 -10.497 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.018 -4.132 -12.646 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.660 -4.678 -12.195 1.00 0.00 H new ATOM 365 N ALA A 22 -4.179 1.313 -11.716 1.00 0.00 N ATOM 366 CA ALA A 22 -4.594 1.539 -13.095 1.00 0.00 C ATOM 367 C ALA A 22 -4.087 2.883 -13.620 1.00 0.00 C ATOM 368 O ALA A 22 -4.407 3.281 -14.739 1.00 0.00 O ATOM 369 CB ALA A 22 -6.110 1.465 -13.209 1.00 0.00 C ATOM 0 H ALA A 22 -4.896 1.521 -11.021 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.152 0.754 -13.709 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.406 1.636 -14.244 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.451 0.479 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.560 2.227 -12.573 1.00 0.00 H new ATOM 375 N THR A 23 -3.303 3.578 -12.810 1.00 0.00 N ATOM 376 CA THR A 23 -2.748 4.864 -13.206 1.00 0.00 C ATOM 377 C THR A 23 -1.225 4.867 -13.066 1.00 0.00 C ATOM 378 O THR A 23 -0.517 5.538 -13.821 1.00 0.00 O ATOM 379 CB THR A 23 -3.344 6.004 -12.353 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.776 5.932 -12.374 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.901 7.367 -12.867 1.00 0.00 C ATOM 0 H THR A 23 -3.036 3.273 -11.874 1.00 0.00 H new ATOM 0 HA THR A 23 -3.009 5.027 -14.252 1.00 0.00 H new ATOM 0 HB THR A 23 -2.981 5.884 -11.332 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.080 5.277 -11.711 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.337 8.149 -12.246 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.814 7.435 -12.827 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.235 7.493 -13.897 1.00 0.00 H new ATOM 389 N LYS A 24 -0.723 4.107 -12.103 1.00 0.00 N ATOM 390 CA LYS A 24 0.699 4.087 -11.809 1.00 0.00 C ATOM 391 C LYS A 24 1.423 3.070 -12.683 1.00 0.00 C ATOM 392 O LYS A 24 1.515 1.892 -12.344 1.00 0.00 O ATOM 393 CB LYS A 24 0.932 3.766 -10.331 1.00 0.00 C ATOM 394 CG LYS A 24 2.322 4.132 -9.839 1.00 0.00 C ATOM 395 CD LYS A 24 2.518 5.639 -9.829 1.00 0.00 C ATOM 396 CE LYS A 24 3.874 6.024 -9.263 1.00 0.00 C ATOM 397 NZ LYS A 24 4.015 7.499 -9.133 1.00 0.00 N ATOM 0 H LYS A 24 -1.284 3.494 -11.511 1.00 0.00 H new ATOM 0 HA LYS A 24 1.102 5.076 -12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.192 4.297 -9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.768 2.701 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.472 3.736 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.072 3.669 -10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.424 6.025 -10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.730 6.105 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.007 5.558 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.662 5.638 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.952 7.725 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.913 7.941 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.278 7.863 -8.496 1.00 0.00 H new ATOM 411 N THR A 25 1.905 3.531 -13.820 1.00 0.00 N ATOM 412 CA THR A 25 2.702 2.703 -14.703 1.00 0.00 C ATOM 413 C THR A 25 4.177 3.089 -14.601 1.00 0.00 C ATOM 414 O THR A 25 4.665 3.947 -15.341 1.00 0.00 O ATOM 415 CB THR A 25 2.209 2.826 -16.158 1.00 0.00 C ATOM 416 OG1 THR A 25 1.776 4.173 -16.415 1.00 0.00 O ATOM 417 CG2 THR A 25 1.066 1.858 -16.423 1.00 0.00 C ATOM 0 H THR A 25 1.757 4.483 -14.156 1.00 0.00 H new ATOM 0 HA THR A 25 2.592 1.663 -14.395 1.00 0.00 H new ATOM 0 HB THR A 25 3.035 2.577 -16.824 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.499 4.797 -16.194 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.733 1.962 -17.456 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.407 0.837 -16.252 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.237 2.081 -15.751 1.00 0.00 H new ATOM 425 N THR A 26 4.877 2.468 -13.663 1.00 0.00 N ATOM 426 CA THR A 26 6.248 2.852 -13.367 1.00 0.00 C ATOM 427 C THR A 26 7.226 1.694 -13.558 1.00 0.00 C ATOM 428 O THR A 26 8.092 1.733 -14.433 1.00 0.00 O ATOM 429 CB THR A 26 6.359 3.376 -11.922 1.00 0.00 C ATOM 430 OG1 THR A 26 5.358 4.376 -11.691 1.00 0.00 O ATOM 431 CG2 THR A 26 7.737 3.966 -11.655 1.00 0.00 C ATOM 0 H THR A 26 4.519 1.699 -13.096 1.00 0.00 H new ATOM 0 HA THR A 26 6.515 3.640 -14.071 1.00 0.00 H new ATOM 0 HB THR A 26 6.207 2.536 -11.244 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.762 5.266 -11.764 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.785 4.327 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.497 3.199 -11.806 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.917 4.795 -12.340 1.00 0.00 H new ATOM 439 N TRP A 27 7.070 0.665 -12.744 1.00 0.00 N ATOM 440 CA TRP A 27 8.030 -0.433 -12.695 1.00 0.00 C ATOM 441 C TRP A 27 7.762 -1.459 -13.790 1.00 0.00 C ATOM 442 O TRP A 27 6.812 -1.324 -14.563 1.00 0.00 O ATOM 443 CB TRP A 27 7.979 -1.116 -11.327 1.00 0.00 C ATOM 444 CG TRP A 27 8.243 -0.192 -10.175 1.00 0.00 C ATOM 445 CD1 TRP A 27 9.418 0.436 -9.879 1.00 0.00 C ATOM 446 CD2 TRP A 27 7.316 0.191 -9.152 1.00 0.00 C ATOM 447 NE1 TRP A 27 9.277 1.188 -8.739 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.995 1.053 -8.274 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.975 -0.111 -8.894 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.382 1.615 -7.156 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.366 0.448 -7.785 1.00 0.00 C ATOM 452 CH2 TRP A 27 6.069 1.303 -6.929 1.00 0.00 C ATOM 0 H TRP A 27 6.284 0.563 -12.102 1.00 0.00 H new ATOM 0 HA TRP A 27 9.022 -0.013 -12.858 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.998 -1.572 -11.196 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.711 -1.923 -11.308 1.00 0.00 H new ATOM 0 HD1 TRP A 27 10.326 0.353 -10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.007 1.755 -8.308 1.00 0.00 H new ATOM 0 HE3 TRP A 27 5.424 -0.769 -9.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.923 2.273 -6.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.331 0.221 -7.576 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.565 1.725 -6.072 1.00 0.00 H new ATOM 463 N SER A 28 8.613 -2.481 -13.851 1.00 0.00 N ATOM 464 CA SER A 28 8.450 -3.569 -14.809 1.00 0.00 C ATOM 465 C SER A 28 7.128 -4.295 -14.573 1.00 0.00 C ATOM 466 O SER A 28 6.594 -4.266 -13.462 1.00 0.00 O ATOM 467 CB SER A 28 9.612 -4.557 -14.685 1.00 0.00 C ATOM 468 OG SER A 28 10.859 -3.893 -14.793 1.00 0.00 O ATOM 0 H SER A 28 9.427 -2.577 -13.244 1.00 0.00 H new ATOM 0 HA SER A 28 8.444 -3.146 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.553 -5.074 -13.727 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.532 -5.317 -15.463 1.00 0.00 H new ATOM 0 HG SER A 28 11.585 -4.545 -14.709 1.00 0.00 H new ATOM 474 N GLU A 29 6.623 -4.960 -15.608 1.00 0.00 N ATOM 475 CA GLU A 29 5.318 -5.612 -15.550 1.00 0.00 C ATOM 476 C GLU A 29 5.228 -6.591 -14.386 1.00 0.00 C ATOM 477 O GLU A 29 4.299 -6.520 -13.590 1.00 0.00 O ATOM 478 CB GLU A 29 5.018 -6.336 -16.861 1.00 0.00 C ATOM 479 CG GLU A 29 4.978 -5.413 -18.065 1.00 0.00 C ATOM 480 CD GLU A 29 4.596 -6.135 -19.338 1.00 0.00 C ATOM 481 OE1 GLU A 29 5.424 -6.899 -19.867 1.00 0.00 O ATOM 482 OE2 GLU A 29 3.461 -5.936 -19.822 1.00 0.00 O ATOM 0 H GLU A 29 7.101 -5.062 -16.503 1.00 0.00 H new ATOM 0 HA GLU A 29 4.574 -4.831 -15.394 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.775 -7.103 -17.025 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.060 -6.848 -16.773 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.265 -4.610 -17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.955 -4.948 -18.195 1.00 0.00 H new ATOM 489 N ASP A 30 6.203 -7.488 -14.276 1.00 0.00 N ATOM 490 CA ASP A 30 6.196 -8.497 -13.213 1.00 0.00 C ATOM 491 C ASP A 30 6.389 -7.873 -11.835 1.00 0.00 C ATOM 492 O ASP A 30 5.921 -8.417 -10.834 1.00 0.00 O ATOM 493 CB ASP A 30 7.265 -9.566 -13.455 1.00 0.00 C ATOM 494 CG ASP A 30 6.794 -10.661 -14.393 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.934 -10.500 -15.621 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.284 -11.698 -13.903 1.00 0.00 O ATOM 0 H ASP A 30 7.005 -7.540 -14.904 1.00 0.00 H new ATOM 0 HA ASP A 30 5.214 -8.970 -13.237 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.156 -9.096 -13.870 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.553 -10.009 -12.502 1.00 0.00 H new ATOM 501 N TYR A 31 7.063 -6.732 -11.771 1.00 0.00 N ATOM 502 CA TYR A 31 7.252 -6.056 -10.495 1.00 0.00 C ATOM 503 C TYR A 31 5.969 -5.341 -10.103 1.00 0.00 C ATOM 504 O TYR A 31 5.491 -5.483 -8.982 1.00 0.00 O ATOM 505 CB TYR A 31 8.421 -5.068 -10.541 1.00 0.00 C ATOM 506 CG TYR A 31 8.775 -4.513 -9.176 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.627 -5.205 -8.327 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.250 -3.308 -8.733 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.946 -4.710 -7.075 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.564 -2.805 -7.486 1.00 0.00 C ATOM 511 CZ TYR A 31 9.412 -3.509 -6.660 1.00 0.00 C ATOM 512 OH TYR A 31 9.724 -3.013 -5.413 1.00 0.00 O ATOM 0 H TYR A 31 7.482 -6.262 -12.573 1.00 0.00 H new ATOM 0 HA TYR A 31 7.495 -6.809 -9.745 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.294 -5.565 -10.964 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.169 -4.244 -11.209 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.048 -6.146 -8.649 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.583 -2.753 -9.376 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.610 -5.262 -6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.147 -1.864 -7.160 1.00 0.00 H new ATOM 0 HH TYR A 31 8.959 -3.134 -4.812 1.00 0.00 H new ATOM 522 N GLN A 32 5.406 -4.594 -11.048 1.00 0.00 N ATOM 523 CA GLN A 32 4.127 -3.917 -10.856 1.00 0.00 C ATOM 524 C GLN A 32 3.059 -4.953 -10.500 1.00 0.00 C ATOM 525 O GLN A 32 2.172 -4.713 -9.679 1.00 0.00 O ATOM 526 CB GLN A 32 3.750 -3.181 -12.148 1.00 0.00 C ATOM 527 CG GLN A 32 2.750 -2.051 -11.971 1.00 0.00 C ATOM 528 CD GLN A 32 3.276 -0.943 -11.083 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.962 -0.029 -11.548 1.00 0.00 O ATOM 530 NE2 GLN A 32 2.940 -1.003 -9.804 1.00 0.00 N ATOM 0 H GLN A 32 5.822 -4.441 -11.967 1.00 0.00 H new ATOM 0 HA GLN A 32 4.201 -3.193 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.657 -2.777 -12.597 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.339 -3.903 -12.854 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.496 -1.639 -12.948 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.830 -2.449 -11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.371 -1.777 -9.462 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.250 -0.275 -9.161 1.00 0.00 H new ATOM 539 N ARG A 33 3.194 -6.112 -11.129 1.00 0.00 N ATOM 540 CA ARG A 33 2.347 -7.273 -10.882 1.00 0.00 C ATOM 541 C ARG A 33 2.438 -7.715 -9.423 1.00 0.00 C ATOM 542 O ARG A 33 1.425 -7.822 -8.734 1.00 0.00 O ATOM 543 CB ARG A 33 2.814 -8.400 -11.802 1.00 0.00 C ATOM 544 CG ARG A 33 1.960 -9.652 -11.799 1.00 0.00 C ATOM 545 CD ARG A 33 2.643 -10.739 -12.610 1.00 0.00 C ATOM 546 NE ARG A 33 1.757 -11.853 -12.920 1.00 0.00 N ATOM 547 CZ ARG A 33 2.141 -12.938 -13.584 1.00 0.00 C ATOM 548 NH1 ARG A 33 3.412 -13.092 -13.947 1.00 0.00 N ATOM 549 NH2 ARG A 33 1.251 -13.876 -13.878 1.00 0.00 N ATOM 0 H ARG A 33 3.908 -6.276 -11.839 1.00 0.00 H new ATOM 0 HA ARG A 33 1.306 -7.019 -11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.859 -8.016 -12.821 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.830 -8.676 -11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.802 -9.993 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.978 -9.435 -12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.019 -10.311 -13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.506 -11.110 -12.057 1.00 0.00 H new ATOM 0 HE ARG A 33 0.787 -11.797 -12.610 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.099 -12.374 -13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.699 -13.928 -14.456 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.278 -13.762 -13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.540 -14.711 -14.388 1.00 0.00 H new ATOM 563 N SER A 34 3.662 -7.959 -8.959 1.00 0.00 N ATOM 564 CA SER A 34 3.884 -8.433 -7.598 1.00 0.00 C ATOM 565 C SER A 34 3.587 -7.342 -6.572 1.00 0.00 C ATOM 566 O SER A 34 3.307 -7.633 -5.410 1.00 0.00 O ATOM 567 CB SER A 34 5.309 -8.972 -7.438 1.00 0.00 C ATOM 568 OG SER A 34 6.255 -8.166 -8.127 1.00 0.00 O ATOM 0 H SER A 34 4.514 -7.836 -9.507 1.00 0.00 H new ATOM 0 HA SER A 34 3.189 -9.252 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.567 -9.012 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.357 -9.993 -7.816 1.00 0.00 H new ATOM 0 HG SER A 34 6.224 -8.372 -9.085 1.00 0.00 H new ATOM 574 N VAL A 35 3.648 -6.086 -7.000 1.00 0.00 N ATOM 575 CA VAL A 35 3.186 -4.983 -6.168 1.00 0.00 C ATOM 576 C VAL A 35 1.710 -5.175 -5.849 1.00 0.00 C ATOM 577 O VAL A 35 1.312 -5.183 -4.685 1.00 0.00 O ATOM 578 CB VAL A 35 3.385 -3.612 -6.858 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.697 -2.500 -6.078 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.862 -3.295 -7.022 1.00 0.00 C ATOM 0 H VAL A 35 4.010 -5.808 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 35 3.779 -4.986 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 35 2.930 -3.674 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.854 -1.548 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.629 -2.707 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.116 -2.448 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.974 -2.327 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.339 -3.266 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.334 -4.065 -7.632 1.00 0.00 H new ATOM 590 N TRP A 36 0.918 -5.374 -6.897 1.00 0.00 N ATOM 591 CA TRP A 36 -0.523 -5.524 -6.763 1.00 0.00 C ATOM 592 C TRP A 36 -0.871 -6.758 -5.936 1.00 0.00 C ATOM 593 O TRP A 36 -1.696 -6.687 -5.023 1.00 0.00 O ATOM 594 CB TRP A 36 -1.167 -5.610 -8.151 1.00 0.00 C ATOM 595 CG TRP A 36 -2.666 -5.668 -8.126 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.456 -6.643 -8.665 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.553 -4.712 -7.533 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.780 -6.348 -8.450 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.866 -5.171 -7.755 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.368 -3.514 -6.837 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.985 -4.474 -7.307 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.478 -2.823 -6.394 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.772 -3.306 -6.629 1.00 0.00 C ATOM 0 H TRP A 36 1.256 -5.435 -7.857 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.915 -4.651 -6.241 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.857 -4.746 -8.738 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.788 -6.495 -8.662 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.093 -7.518 -9.184 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.571 -6.914 -8.758 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.374 -3.136 -6.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.984 -4.842 -7.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.347 -1.895 -5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.620 -2.743 -6.267 1.00 0.00 H new ATOM 614 N THR A 37 -0.220 -7.877 -6.235 1.00 0.00 N ATOM 615 CA THR A 37 -0.509 -9.130 -5.553 1.00 0.00 C ATOM 616 C THR A 37 -0.215 -9.028 -4.055 1.00 0.00 C ATOM 617 O THR A 37 -0.978 -9.536 -3.227 1.00 0.00 O ATOM 618 CB THR A 37 0.285 -10.303 -6.160 1.00 0.00 C ATOM 619 OG1 THR A 37 1.689 -10.024 -6.123 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.143 -10.563 -7.597 1.00 0.00 C ATOM 0 H THR A 37 0.510 -7.940 -6.944 1.00 0.00 H new ATOM 0 HA THR A 37 -1.573 -9.325 -5.690 1.00 0.00 H new ATOM 0 HB THR A 37 0.077 -11.193 -5.566 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.831 -9.100 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.432 -11.395 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.205 -10.809 -7.622 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.037 -9.671 -8.197 1.00 0.00 H new ATOM 628 N ARG A 38 0.880 -8.356 -3.708 1.00 0.00 N ATOM 629 CA ARG A 38 1.237 -8.167 -2.308 1.00 0.00 C ATOM 630 C ARG A 38 0.254 -7.230 -1.618 1.00 0.00 C ATOM 631 O ARG A 38 -0.057 -7.406 -0.439 1.00 0.00 O ATOM 632 CB ARG A 38 2.667 -7.642 -2.164 1.00 0.00 C ATOM 633 CG ARG A 38 3.721 -8.708 -2.406 1.00 0.00 C ATOM 634 CD ARG A 38 5.125 -8.188 -2.135 1.00 0.00 C ATOM 635 NE ARG A 38 5.544 -7.181 -3.109 1.00 0.00 N ATOM 636 CZ ARG A 38 6.556 -7.356 -3.958 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.255 -8.486 -3.943 1.00 0.00 N ATOM 638 NH2 ARG A 38 6.888 -6.398 -4.815 1.00 0.00 N ATOM 0 H ARG A 38 1.530 -7.937 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 38 1.185 -9.141 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.819 -6.823 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.798 -7.231 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.522 -9.567 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.655 -9.056 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.164 -7.759 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.828 -9.021 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 38 5.035 -6.298 -3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.018 -9.224 -3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.029 -8.616 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.367 -5.521 -4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.664 -6.539 -5.462 1.00 0.00 H new ATOM 652 N LEU A 39 -0.247 -6.247 -2.354 1.00 0.00 N ATOM 653 CA LEU A 39 -1.258 -5.345 -1.821 1.00 0.00 C ATOM 654 C LEU A 39 -2.517 -6.130 -1.460 1.00 0.00 C ATOM 655 O LEU A 39 -3.096 -5.937 -0.390 1.00 0.00 O ATOM 656 CB LEU A 39 -1.602 -4.243 -2.832 1.00 0.00 C ATOM 657 CG LEU A 39 -0.441 -3.338 -3.247 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.915 -2.279 -4.230 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.198 -2.689 -2.031 1.00 0.00 C ATOM 0 H LEU A 39 0.029 -6.055 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.855 -4.873 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.011 -4.711 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.391 -3.621 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 39 0.312 -3.954 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.076 -1.644 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.321 -2.763 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.689 -1.670 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.021 -2.050 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.545 -2.089 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.577 -3.462 -1.363 1.00 0.00 H new ATOM 671 N GLU A 40 -2.913 -7.033 -2.356 1.00 0.00 N ATOM 672 CA GLU A 40 -4.096 -7.867 -2.153 1.00 0.00 C ATOM 673 C GLU A 40 -3.933 -8.773 -0.938 1.00 0.00 C ATOM 674 O GLU A 40 -4.882 -9.007 -0.190 1.00 0.00 O ATOM 675 CB GLU A 40 -4.353 -8.751 -3.377 1.00 0.00 C ATOM 676 CG GLU A 40 -4.496 -7.999 -4.688 1.00 0.00 C ATOM 677 CD GLU A 40 -4.723 -8.936 -5.858 1.00 0.00 C ATOM 678 OE1 GLU A 40 -3.748 -9.564 -6.325 1.00 0.00 O ATOM 679 OE2 GLU A 40 -5.886 -9.077 -6.295 1.00 0.00 O ATOM 0 H GLU A 40 -2.427 -7.206 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.937 -7.192 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.534 -9.464 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.261 -9.329 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.329 -7.300 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.598 -7.407 -4.866 1.00 0.00 H new ATOM 686 N THR A 41 -2.724 -9.275 -0.753 1.00 0.00 N ATOM 687 CA THR A 41 -2.468 -10.308 0.238 1.00 0.00 C ATOM 688 C THR A 41 -2.154 -9.733 1.622 1.00 0.00 C ATOM 689 O THR A 41 -2.601 -10.266 2.635 1.00 0.00 O ATOM 690 CB THR A 41 -1.304 -11.210 -0.219 1.00 0.00 C ATOM 691 OG1 THR A 41 -1.507 -11.604 -1.586 1.00 0.00 O ATOM 692 CG2 THR A 41 -1.192 -12.452 0.654 1.00 0.00 C ATOM 0 H THR A 41 -1.900 -8.983 -1.279 1.00 0.00 H new ATOM 0 HA THR A 41 -3.384 -10.893 0.324 1.00 0.00 H new ATOM 0 HB THR A 41 -0.378 -10.642 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.165 -10.905 -2.182 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.362 -13.067 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.015 -12.155 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.118 -13.024 0.594 1.00 0.00 H new ATOM 700 N TYR A 42 -1.389 -8.649 1.669 1.00 0.00 N ATOM 701 CA TYR A 42 -0.904 -8.140 2.947 1.00 0.00 C ATOM 702 C TYR A 42 -1.565 -6.826 3.354 1.00 0.00 C ATOM 703 O TYR A 42 -1.880 -6.629 4.525 1.00 0.00 O ATOM 704 CB TYR A 42 0.614 -7.936 2.897 1.00 0.00 C ATOM 705 CG TYR A 42 1.395 -9.173 2.509 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.560 -10.229 3.395 1.00 0.00 C ATOM 707 CD2 TYR A 42 1.984 -9.274 1.255 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.287 -11.349 3.044 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.709 -10.393 0.893 1.00 0.00 C ATOM 710 CZ TYR A 42 2.859 -11.427 1.790 1.00 0.00 C ATOM 711 OH TYR A 42 3.592 -12.536 1.434 1.00 0.00 O ATOM 0 H TYR A 42 -1.095 -8.113 0.853 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.166 -8.890 3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.839 -7.141 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.956 -7.596 3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.112 -10.173 4.376 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.873 -8.463 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.408 -12.160 3.747 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.156 -10.456 -0.088 1.00 0.00 H new ATOM 0 HH TYR A 42 3.923 -12.429 0.518 1.00 0.00 H new ATOM 721 N LEU A 43 -1.791 -5.936 2.397 1.00 0.00 N ATOM 722 CA LEU A 43 -2.134 -4.558 2.727 1.00 0.00 C ATOM 723 C LEU A 43 -3.641 -4.336 2.867 1.00 0.00 C ATOM 724 O LEU A 43 -4.126 -4.074 3.968 1.00 0.00 O ATOM 725 CB LEU A 43 -1.548 -3.605 1.686 1.00 0.00 C ATOM 726 CG LEU A 43 -1.581 -2.127 2.073 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.841 -1.901 3.383 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.969 -1.280 0.973 1.00 0.00 C ATOM 0 H LEU A 43 -1.744 -6.139 1.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.696 -4.347 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.514 -3.892 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.093 -3.733 0.751 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.621 -1.830 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.875 -0.843 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.314 -2.484 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.197 -2.214 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.000 -0.230 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.066 -1.583 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.533 -1.418 0.051 1.00 0.00 H new ATOM 740 N PHE A 44 -4.397 -4.457 1.777 1.00 0.00 N ATOM 741 CA PHE A 44 -5.811 -4.092 1.836 1.00 0.00 C ATOM 742 C PHE A 44 -6.797 -5.256 2.097 1.00 0.00 C ATOM 743 O PHE A 44 -7.996 -5.057 1.916 1.00 0.00 O ATOM 744 CB PHE A 44 -6.242 -3.283 0.598 1.00 0.00 C ATOM 745 CG PHE A 44 -6.146 -3.987 -0.731 1.00 0.00 C ATOM 746 CD1 PHE A 44 -7.057 -4.972 -1.086 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.164 -3.635 -1.642 1.00 0.00 C ATOM 748 CE1 PHE A 44 -6.984 -5.594 -2.316 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.091 -4.250 -2.876 1.00 0.00 C ATOM 750 CZ PHE A 44 -6.000 -5.231 -3.213 1.00 0.00 C ATOM 0 H PHE A 44 -4.069 -4.793 0.871 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.878 -3.465 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.274 -2.964 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.633 -2.380 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.833 -5.256 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.447 -2.870 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.696 -6.364 -2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.322 -3.963 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.942 -5.714 -4.177 1.00 0.00 H new ATOM 760 N PRO A 45 -6.383 -6.477 2.528 1.00 0.00 N ATOM 761 CA PRO A 45 -7.343 -7.424 3.109 1.00 0.00 C ATOM 762 C PRO A 45 -7.857 -6.920 4.458 1.00 0.00 C ATOM 763 O PRO A 45 -8.897 -7.359 4.951 1.00 0.00 O ATOM 764 CB PRO A 45 -6.535 -8.714 3.289 1.00 0.00 C ATOM 765 CG PRO A 45 -5.119 -8.266 3.334 1.00 0.00 C ATOM 766 CD PRO A 45 -5.042 -7.081 2.417 1.00 0.00 C ATOM 0 HA PRO A 45 -8.223 -7.562 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.816 -9.233 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.706 -9.407 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.825 -7.996 4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.446 -9.059 3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.261 -6.385 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.819 -7.379 1.393 1.00 0.00 H new ATOM 774 N ASP A 46 -7.115 -5.984 5.046 1.00 0.00 N ATOM 775 CA ASP A 46 -7.497 -5.380 6.319 1.00 0.00 C ATOM 776 C ASP A 46 -8.114 -4.004 6.086 1.00 0.00 C ATOM 777 O ASP A 46 -9.279 -3.778 6.395 1.00 0.00 O ATOM 778 CB ASP A 46 -6.281 -5.258 7.246 1.00 0.00 C ATOM 779 CG ASP A 46 -6.653 -4.793 8.645 1.00 0.00 C ATOM 780 OD1 ASP A 46 -6.930 -3.591 8.831 1.00 0.00 O ATOM 781 OD2 ASP A 46 -6.649 -5.634 9.572 1.00 0.00 O ATOM 0 H ASP A 46 -6.242 -5.627 4.658 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.235 -6.024 6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.780 -6.224 7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.568 -4.557 6.812 1.00 0.00 H new ATOM 786 N ILE A 47 -7.333 -3.098 5.505 1.00 0.00 N ATOM 787 CA ILE A 47 -7.777 -1.721 5.278 1.00 0.00 C ATOM 788 C ILE A 47 -8.654 -1.603 4.029 1.00 0.00 C ATOM 789 O ILE A 47 -8.995 -0.502 3.602 1.00 0.00 O ATOM 790 CB ILE A 47 -6.576 -0.760 5.129 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.645 -1.228 4.007 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.814 -0.638 6.438 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.393 -0.391 3.865 1.00 0.00 C ATOM 0 H ILE A 47 -6.385 -3.291 5.181 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.363 -1.442 6.153 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.962 0.225 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.360 -2.264 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.191 -1.212 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.973 0.044 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.478 -0.251 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.443 -1.619 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.784 -0.783 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.668 0.641 3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.824 -0.427 4.794 1.00 0.00 H new ATOM 805 N GLY A 48 -9.021 -2.738 3.454 1.00 0.00 N ATOM 806 CA GLY A 48 -9.796 -2.731 2.230 1.00 0.00 C ATOM 807 C GLY A 48 -11.259 -2.420 2.461 1.00 0.00 C ATOM 808 O GLY A 48 -11.870 -1.676 1.693 1.00 0.00 O ATOM 0 H GLY A 48 -8.796 -3.666 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.377 -1.994 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.709 -3.703 1.745 1.00 0.00 H new ATOM 812 N ASN A 49 -11.820 -2.983 3.518 1.00 0.00 N ATOM 813 CA ASN A 49 -13.225 -2.772 3.840 1.00 0.00 C ATOM 814 C ASN A 49 -13.370 -1.636 4.842 1.00 0.00 C ATOM 815 O ASN A 49 -14.442 -1.412 5.408 1.00 0.00 O ATOM 816 CB ASN A 49 -13.855 -4.054 4.393 1.00 0.00 C ATOM 817 CG ASN A 49 -13.286 -4.484 5.733 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.125 -4.227 6.052 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.105 -5.153 6.521 1.00 0.00 N ATOM 0 H ASN A 49 -11.325 -3.591 4.170 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.750 -2.502 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.930 -3.905 4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.712 -4.859 3.672 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.783 -5.478 7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.060 -5.345 6.219 1.00 0.00 H new ATOM 826 N LYS A 50 -12.280 -0.916 5.038 1.00 0.00 N ATOM 827 CA LYS A 50 -12.244 0.206 5.957 1.00 0.00 C ATOM 828 C LYS A 50 -12.021 1.494 5.175 1.00 0.00 C ATOM 829 O LYS A 50 -11.333 1.491 4.152 1.00 0.00 O ATOM 830 CB LYS A 50 -11.121 -0.004 6.976 1.00 0.00 C ATOM 831 CG LYS A 50 -11.071 1.037 8.084 1.00 0.00 C ATOM 832 CD LYS A 50 -12.303 0.984 8.969 1.00 0.00 C ATOM 833 CE LYS A 50 -12.082 1.743 10.266 1.00 0.00 C ATOM 834 NZ LYS A 50 -13.277 1.703 11.147 1.00 0.00 N ATOM 0 H LYS A 50 -11.394 -1.093 4.564 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.192 0.278 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.236 -0.990 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.166 -0.003 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.181 0.877 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.983 2.031 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.154 1.408 8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.551 -0.054 9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.229 1.317 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.833 2.780 10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.981 1.803 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.919 2.482 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.770 0.796 11.023 1.00 0.00 H new ATOM 848 N ASP A 51 -12.622 2.584 5.633 1.00 0.00 N ATOM 849 CA ASP A 51 -12.431 3.875 4.987 1.00 0.00 C ATOM 850 C ASP A 51 -11.022 4.386 5.266 1.00 0.00 C ATOM 851 O ASP A 51 -10.545 4.326 6.400 1.00 0.00 O ATOM 852 CB ASP A 51 -13.467 4.888 5.477 1.00 0.00 C ATOM 853 CG ASP A 51 -13.400 6.204 4.722 1.00 0.00 C ATOM 854 OD1 ASP A 51 -12.508 7.022 5.016 1.00 0.00 O ATOM 855 OD2 ASP A 51 -14.249 6.430 3.834 1.00 0.00 O ATOM 0 H ASP A 51 -13.241 2.601 6.443 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.562 3.749 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.465 4.462 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.313 5.075 6.540 1.00 0.00 H new ATOM 860 N ILE A 52 -10.373 4.883 4.226 1.00 0.00 N ATOM 861 CA ILE A 52 -8.984 5.321 4.299 1.00 0.00 C ATOM 862 C ILE A 52 -8.784 6.460 5.315 1.00 0.00 C ATOM 863 O ILE A 52 -7.727 6.565 5.936 1.00 0.00 O ATOM 864 CB ILE A 52 -8.504 5.745 2.886 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.384 4.824 2.393 1.00 0.00 C ATOM 866 CG2 ILE A 52 -8.062 7.199 2.850 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.036 5.100 3.020 1.00 0.00 C ATOM 0 H ILE A 52 -10.794 4.995 3.304 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.382 4.484 4.652 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.355 5.647 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.662 3.790 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.297 4.923 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.734 7.455 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.897 7.840 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.238 7.346 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.299 4.405 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.732 6.122 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.104 4.971 4.100 1.00 0.00 H new ATOM 879 N ALA A 53 -9.805 7.291 5.503 1.00 0.00 N ATOM 880 CA ALA A 53 -9.699 8.423 6.419 1.00 0.00 C ATOM 881 C ALA A 53 -10.169 8.031 7.808 1.00 0.00 C ATOM 882 O ALA A 53 -10.080 8.809 8.757 1.00 0.00 O ATOM 883 CB ALA A 53 -10.499 9.608 5.908 1.00 0.00 C ATOM 0 H ALA A 53 -10.708 7.204 5.038 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.650 8.715 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.405 10.439 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.119 9.910 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.548 9.327 5.818 1.00 0.00 H new ATOM 889 N GLU A 54 -10.661 6.812 7.916 1.00 0.00 N ATOM 890 CA GLU A 54 -11.163 6.292 9.174 1.00 0.00 C ATOM 891 C GLU A 54 -10.073 5.455 9.836 1.00 0.00 C ATOM 892 O GLU A 54 -10.286 4.805 10.861 1.00 0.00 O ATOM 893 CB GLU A 54 -12.418 5.461 8.904 1.00 0.00 C ATOM 894 CG GLU A 54 -13.334 5.283 10.101 1.00 0.00 C ATOM 895 CD GLU A 54 -14.654 4.653 9.709 1.00 0.00 C ATOM 896 OE1 GLU A 54 -15.469 5.338 9.055 1.00 0.00 O ATOM 897 OE2 GLU A 54 -14.871 3.467 10.033 1.00 0.00 O ATOM 0 H GLU A 54 -10.724 6.156 7.138 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.429 7.105 9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.982 5.932 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.115 4.477 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.841 4.660 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.517 6.252 10.566 1.00 0.00 H new ATOM 904 N LEU A 55 -8.896 5.493 9.227 1.00 0.00 N ATOM 905 CA LEU A 55 -7.739 4.758 9.707 1.00 0.00 C ATOM 906 C LEU A 55 -6.808 5.668 10.499 1.00 0.00 C ATOM 907 O LEU A 55 -6.723 6.868 10.238 1.00 0.00 O ATOM 908 CB LEU A 55 -6.976 4.156 8.525 1.00 0.00 C ATOM 909 CG LEU A 55 -7.722 3.072 7.749 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.028 2.793 6.426 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.811 1.798 8.576 1.00 0.00 C ATOM 0 H LEU A 55 -8.718 6.037 8.383 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.090 3.961 10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.715 4.959 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.040 3.736 8.894 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.732 3.427 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.572 2.018 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.005 3.704 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.009 2.456 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.345 1.034 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.807 1.443 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.345 2.003 9.504 1.00 0.00 H new ATOM 923 N ASP A 56 -6.130 5.084 11.469 1.00 0.00 N ATOM 924 CA ASP A 56 -5.121 5.788 12.243 1.00 0.00 C ATOM 925 C ASP A 56 -3.735 5.298 11.832 1.00 0.00 C ATOM 926 O ASP A 56 -3.615 4.277 11.144 1.00 0.00 O ATOM 927 CB ASP A 56 -5.362 5.559 13.746 1.00 0.00 C ATOM 928 CG ASP A 56 -4.247 6.092 14.629 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.224 7.308 14.907 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.379 5.290 15.044 1.00 0.00 O ATOM 0 H ASP A 56 -6.262 4.110 11.743 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.185 6.858 12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.300 6.036 14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.479 4.491 13.928 1.00 0.00 H new ATOM 935 N THR A 57 -2.703 6.035 12.234 1.00 0.00 N ATOM 936 CA THR A 57 -1.320 5.648 11.991 1.00 0.00 C ATOM 937 C THR A 57 -1.096 4.178 12.352 1.00 0.00 C ATOM 938 O THR A 57 -0.474 3.427 11.598 1.00 0.00 O ATOM 939 CB THR A 57 -0.360 6.522 12.824 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.772 7.897 12.776 1.00 0.00 O ATOM 941 CG2 THR A 57 1.064 6.402 12.306 1.00 0.00 C ATOM 0 H THR A 57 -2.804 6.917 12.737 1.00 0.00 H new ATOM 0 HA THR A 57 -1.117 5.792 10.930 1.00 0.00 H new ATOM 0 HB THR A 57 -0.391 6.170 13.855 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.156 8.442 13.310 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.724 7.027 12.908 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.388 5.363 12.371 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.102 6.730 11.267 1.00 0.00 H new ATOM 949 N GLY A 58 -1.647 3.770 13.492 1.00 0.00 N ATOM 950 CA GLY A 58 -1.495 2.407 13.955 1.00 0.00 C ATOM 951 C GLY A 58 -2.175 1.400 13.046 1.00 0.00 C ATOM 952 O GLY A 58 -1.618 0.342 12.769 1.00 0.00 O ATOM 0 H GLY A 58 -2.200 4.367 14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.434 2.168 14.026 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.909 2.321 14.960 1.00 0.00 H new ATOM 956 N ASP A 59 -3.366 1.743 12.559 1.00 0.00 N ATOM 957 CA ASP A 59 -4.148 0.830 11.719 1.00 0.00 C ATOM 958 C ASP A 59 -3.391 0.459 10.456 1.00 0.00 C ATOM 959 O ASP A 59 -3.480 -0.668 9.982 1.00 0.00 O ATOM 960 CB ASP A 59 -5.493 1.447 11.327 1.00 0.00 C ATOM 961 CG ASP A 59 -6.437 1.610 12.494 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.730 0.605 13.177 1.00 0.00 O ATOM 963 OD2 ASP A 59 -6.898 2.746 12.730 1.00 0.00 O ATOM 0 H ASP A 59 -3.812 2.644 12.730 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.324 -0.068 12.311 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.319 2.421 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.966 0.821 10.571 1.00 0.00 H new ATOM 968 N LEU A 60 -2.655 1.417 9.914 1.00 0.00 N ATOM 969 CA LEU A 60 -1.844 1.184 8.723 1.00 0.00 C ATOM 970 C LEU A 60 -0.595 0.381 9.077 1.00 0.00 C ATOM 971 O LEU A 60 -0.158 -0.516 8.334 1.00 0.00 O ATOM 972 CB LEU A 60 -1.448 2.528 8.108 1.00 0.00 C ATOM 973 CG LEU A 60 -2.622 3.407 7.674 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.164 4.837 7.445 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.260 2.852 6.410 1.00 0.00 C ATOM 0 H LEU A 60 -2.601 2.368 10.280 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.427 0.612 8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.848 3.080 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.812 2.342 7.242 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.364 3.405 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.014 5.446 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.746 5.238 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.403 4.855 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.094 3.488 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.520 2.827 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.624 1.842 6.599 1.00 0.00 H new ATOM 987 N LEU A 61 -0.037 0.689 10.234 1.00 0.00 N ATOM 988 CA LEU A 61 1.193 0.061 10.673 1.00 0.00 C ATOM 989 C LEU A 61 0.986 -1.401 11.044 1.00 0.00 C ATOM 990 O LEU A 61 1.952 -2.133 11.150 1.00 0.00 O ATOM 991 CB LEU A 61 1.799 0.809 11.861 1.00 0.00 C ATOM 992 CG LEU A 61 2.357 2.198 11.545 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.938 2.823 12.802 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.411 2.121 10.446 1.00 0.00 C ATOM 0 H LEU A 61 -0.419 1.373 10.887 1.00 0.00 H new ATOM 0 HA LEU A 61 1.884 0.105 9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.036 0.909 12.633 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.600 0.201 12.281 1.00 0.00 H new ATOM 0 HG LEU A 61 1.542 2.827 11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.333 3.812 12.568 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.157 2.914 13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.741 2.193 13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.794 3.120 10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.230 1.479 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.964 1.708 9.542 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.258 -1.831 11.246 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.507 -3.227 11.605 1.00 0.00 C ATOM 1008 C VAL A 62 -0.282 -4.173 10.416 1.00 0.00 C ATOM 1009 O VAL A 62 0.458 -5.139 10.556 1.00 0.00 O ATOM 1010 CB VAL A 62 -1.903 -3.462 12.224 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.072 -4.926 12.609 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.098 -2.580 13.446 1.00 0.00 C ATOM 0 H VAL A 62 -1.092 -1.249 11.170 1.00 0.00 H new ATOM 0 HA VAL A 62 0.226 -3.460 12.378 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.656 -3.203 11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.060 -5.076 13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.967 -5.550 11.721 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.309 -5.201 13.338 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.086 -2.758 13.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.337 -2.815 14.190 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.011 -1.533 13.157 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.908 -3.946 9.236 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.573 -4.710 8.027 1.00 0.00 C ATOM 1024 C PRO A 63 0.917 -4.612 7.702 1.00 0.00 C ATOM 1025 O PRO A 63 1.557 -5.607 7.334 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.423 -4.074 6.916 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.979 -2.817 7.496 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.007 -3.005 8.989 1.00 0.00 C ATOM 0 HA PRO A 63 -0.779 -5.774 8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.818 -3.863 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.222 -4.746 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.362 -1.960 7.225 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.980 -2.623 7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.855 -2.063 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.963 -3.407 9.325 1.00 0.00 H new ATOM 1036 N ILE A 64 1.483 -3.417 7.865 1.00 0.00 N ATOM 1037 CA ILE A 64 2.922 -3.242 7.694 1.00 0.00 C ATOM 1038 C ILE A 64 3.683 -4.093 8.716 1.00 0.00 C ATOM 1039 O ILE A 64 4.707 -4.702 8.407 1.00 0.00 O ATOM 1040 CB ILE A 64 3.325 -1.759 7.844 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.572 -0.904 6.821 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.828 -1.593 7.668 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.778 0.585 6.999 1.00 0.00 C ATOM 0 H ILE A 64 0.975 -2.568 8.112 1.00 0.00 H new ATOM 0 HA ILE A 64 3.183 -3.568 6.687 1.00 0.00 H new ATOM 0 HB ILE A 64 3.058 -1.425 8.847 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.892 -1.188 5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.507 -1.125 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.093 -0.541 7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.350 -2.179 8.424 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.119 -1.939 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.214 1.124 6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.431 0.885 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.838 0.820 6.899 1.00 0.00 H new ATOM 1055 N LYS A 65 3.143 -4.149 9.924 1.00 0.00 N ATOM 1056 CA LYS A 65 3.736 -4.905 11.020 1.00 0.00 C ATOM 1057 C LYS A 65 3.555 -6.404 10.807 1.00 0.00 C ATOM 1058 O LYS A 65 4.360 -7.209 11.270 1.00 0.00 O ATOM 1059 CB LYS A 65 3.091 -4.478 12.335 1.00 0.00 C ATOM 1060 CG LYS A 65 3.800 -4.979 13.570 1.00 0.00 C ATOM 1061 CD LYS A 65 3.207 -4.346 14.814 1.00 0.00 C ATOM 1062 CE LYS A 65 4.023 -4.682 16.043 1.00 0.00 C ATOM 1063 NZ LYS A 65 5.440 -4.236 15.911 1.00 0.00 N ATOM 0 H LYS A 65 2.278 -3.670 10.174 1.00 0.00 H new ATOM 0 HA LYS A 65 4.805 -4.697 11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.052 -3.389 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.061 -4.834 12.353 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.715 -6.064 13.631 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.863 -4.745 13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.163 -3.264 14.689 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.183 -4.693 14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.574 -4.210 16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.996 -5.758 16.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.892 -4.233 16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.952 -4.887 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.466 -3.276 15.511 1.00 0.00 H new ATOM 1077 N LYS A 66 2.481 -6.766 10.117 1.00 0.00 N ATOM 1078 CA LYS A 66 2.243 -8.144 9.715 1.00 0.00 C ATOM 1079 C LYS A 66 3.435 -8.656 8.921 1.00 0.00 C ATOM 1080 O LYS A 66 3.921 -9.767 9.142 1.00 0.00 O ATOM 1081 CB LYS A 66 0.966 -8.227 8.871 1.00 0.00 C ATOM 1082 CG LYS A 66 0.713 -9.590 8.251 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.445 -9.540 7.265 1.00 0.00 C ATOM 1084 CE LYS A 66 -0.639 -10.870 6.556 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.060 -11.946 7.489 1.00 0.00 N ATOM 0 H LYS A 66 1.754 -6.115 9.822 1.00 0.00 H new ATOM 0 HA LYS A 66 2.116 -8.764 10.602 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.114 -7.962 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.021 -7.484 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.613 -9.933 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.495 -10.314 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.360 -9.272 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.262 -8.758 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.389 -10.757 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.292 -11.159 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.246 -12.817 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.304 -12.120 8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.925 -11.655 7.987 1.00 0.00 H new ATOM 1099 N ILE A 67 3.914 -7.824 8.007 1.00 0.00 N ATOM 1100 CA ILE A 67 5.085 -8.163 7.210 1.00 0.00 C ATOM 1101 C ILE A 67 6.365 -7.990 8.034 1.00 0.00 C ATOM 1102 O ILE A 67 7.323 -8.750 7.884 1.00 0.00 O ATOM 1103 CB ILE A 67 5.158 -7.298 5.939 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.791 -7.276 5.257 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.216 -7.843 4.989 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.667 -6.231 4.172 1.00 0.00 C ATOM 0 H ILE A 67 3.511 -6.911 7.799 1.00 0.00 H new ATOM 0 HA ILE A 67 4.994 -9.207 6.912 1.00 0.00 H new ATOM 0 HB ILE A 67 5.436 -6.280 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.594 -8.258 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.023 -7.098 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.257 -7.221 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.188 -7.833 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.962 -8.865 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.669 -6.277 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.831 -5.242 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.411 -6.420 3.398 1.00 0.00 H new ATOM 1118 N GLU A 68 6.364 -6.988 8.911 1.00 0.00 N ATOM 1119 CA GLU A 68 7.466 -6.764 9.850 1.00 0.00 C ATOM 1120 C GLU A 68 7.755 -8.028 10.657 1.00 0.00 C ATOM 1121 O GLU A 68 8.872 -8.552 10.647 1.00 0.00 O ATOM 1122 CB GLU A 68 7.105 -5.629 10.812 1.00 0.00 C ATOM 1123 CG GLU A 68 8.122 -5.396 11.918 1.00 0.00 C ATOM 1124 CD GLU A 68 7.516 -4.699 13.123 1.00 0.00 C ATOM 1125 OE1 GLU A 68 7.518 -3.454 13.166 1.00 0.00 O ATOM 1126 OE2 GLU A 68 7.030 -5.401 14.037 1.00 0.00 O ATOM 0 H GLU A 68 5.605 -6.311 8.992 1.00 0.00 H new ATOM 0 HA GLU A 68 8.354 -6.498 9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.990 -4.708 10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.138 -5.846 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.543 -6.352 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.945 -4.796 11.530 1.00 0.00 H new ATOM 1133 N LYS A 69 6.724 -8.521 11.333 1.00 0.00 N ATOM 1134 CA LYS A 69 6.848 -9.677 12.211 1.00 0.00 C ATOM 1135 C LYS A 69 6.911 -10.964 11.391 1.00 0.00 C ATOM 1136 O LYS A 69 7.090 -12.055 11.931 1.00 0.00 O ATOM 1137 CB LYS A 69 5.668 -9.717 13.188 1.00 0.00 C ATOM 1138 CG LYS A 69 5.953 -10.489 14.468 1.00 0.00 C ATOM 1139 CD LYS A 69 4.792 -10.387 15.443 1.00 0.00 C ATOM 1140 CE LYS A 69 5.159 -10.949 16.807 1.00 0.00 C ATOM 1141 NZ LYS A 69 4.008 -10.925 17.748 1.00 0.00 N ATOM 0 H LYS A 69 5.782 -8.132 11.288 1.00 0.00 H new ATOM 0 HA LYS A 69 7.773 -9.591 12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.388 -8.696 13.446 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.810 -10.166 12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.140 -11.536 14.230 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.858 -10.102 14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.493 -9.344 15.547 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.933 -10.927 15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.513 -11.974 16.693 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.983 -10.372 17.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.302 -11.317 18.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.686 -9.945 17.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.231 -11.497 17.360 1.00 0.00 H new ATOM 1155 N LEU A 70 6.761 -10.823 10.077 1.00 0.00 N ATOM 1156 CA LEU A 70 6.895 -11.945 9.162 1.00 0.00 C ATOM 1157 C LEU A 70 8.375 -12.238 8.930 1.00 0.00 C ATOM 1158 O LEU A 70 8.746 -13.317 8.468 1.00 0.00 O ATOM 1159 CB LEU A 70 6.204 -11.627 7.831 1.00 0.00 C ATOM 1160 CG LEU A 70 6.094 -12.791 6.844 1.00 0.00 C ATOM 1161 CD1 LEU A 70 5.135 -13.848 7.370 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.643 -12.291 5.479 1.00 0.00 C ATOM 0 H LEU A 70 6.545 -9.936 9.623 1.00 0.00 H new ATOM 0 HA LEU A 70 6.419 -12.823 9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.200 -11.259 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.746 -10.815 7.347 1.00 0.00 H new ATOM 0 HG LEU A 70 7.079 -13.245 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.069 -14.668 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.500 -14.227 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.148 -13.407 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.570 -13.132 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.668 -11.812 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.367 -11.571 5.098 1.00 0.00 H new ATOM 1174 N GLY A 71 9.213 -11.259 9.259 1.00 0.00 N ATOM 1175 CA GLY A 71 10.644 -11.413 9.108 1.00 0.00 C ATOM 1176 C GLY A 71 11.198 -10.527 8.012 1.00 0.00 C ATOM 1177 O GLY A 71 12.387 -10.206 7.999 1.00 0.00 O ATOM 0 H GLY A 71 8.920 -10.355 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.136 -11.174 10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.875 -12.454 8.884 1.00 0.00 H new ATOM 1181 N TYR A 72 10.328 -10.109 7.105 1.00 0.00 N ATOM 1182 CA TYR A 72 10.745 -9.307 5.967 1.00 0.00 C ATOM 1183 C TYR A 72 10.553 -7.821 6.241 1.00 0.00 C ATOM 1184 O TYR A 72 9.502 -7.254 5.947 1.00 0.00 O ATOM 1185 CB TYR A 72 9.972 -9.706 4.710 1.00 0.00 C ATOM 1186 CG TYR A 72 10.211 -11.130 4.264 1.00 0.00 C ATOM 1187 CD1 TYR A 72 11.361 -11.474 3.564 1.00 0.00 C ATOM 1188 CD2 TYR A 72 9.282 -12.128 4.530 1.00 0.00 C ATOM 1189 CE1 TYR A 72 11.579 -12.770 3.143 1.00 0.00 C ATOM 1190 CE2 TYR A 72 9.493 -13.427 4.110 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.642 -13.742 3.418 1.00 0.00 C ATOM 1192 OH TYR A 72 10.850 -15.033 2.992 1.00 0.00 O ATOM 0 H TYR A 72 9.329 -10.312 7.136 1.00 0.00 H new ATOM 0 HA TYR A 72 11.806 -9.495 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.906 -9.568 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.246 -9.032 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 72 12.097 -10.714 3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.381 -11.885 5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.479 -13.021 2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.761 -14.192 4.323 1.00 0.00 H new ATOM 0 HH TYR A 72 10.096 -15.594 3.268 1.00 0.00 H new ATOM 1202 N LEU A 73 11.574 -7.196 6.808 1.00 0.00 N ATOM 1203 CA LEU A 73 11.531 -5.771 7.095 1.00 0.00 C ATOM 1204 C LEU A 73 11.630 -4.964 5.809 1.00 0.00 C ATOM 1205 O LEU A 73 11.007 -3.910 5.676 1.00 0.00 O ATOM 1206 CB LEU A 73 12.661 -5.381 8.047 1.00 0.00 C ATOM 1207 CG LEU A 73 12.528 -5.933 9.465 1.00 0.00 C ATOM 1208 CD1 LEU A 73 13.733 -5.545 10.302 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.247 -5.425 10.106 1.00 0.00 C ATOM 0 H LEU A 73 12.444 -7.655 7.079 1.00 0.00 H new ATOM 0 HA LEU A 73 10.578 -5.549 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.606 -5.725 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.713 -4.294 8.100 1.00 0.00 H new ATOM 0 HG LEU A 73 12.484 -7.021 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.621 -5.947 11.309 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.637 -5.951 9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.807 -4.459 10.351 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.162 -5.825 11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.268 -4.336 10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.391 -5.749 9.515 1.00 0.00 H new ATOM 1221 N GLU A 74 12.399 -5.470 4.854 1.00 0.00 N ATOM 1222 CA GLU A 74 12.580 -4.780 3.587 1.00 0.00 C ATOM 1223 C GLU A 74 11.313 -4.861 2.751 1.00 0.00 C ATOM 1224 O GLU A 74 10.927 -3.891 2.110 1.00 0.00 O ATOM 1225 CB GLU A 74 13.769 -5.355 2.823 1.00 0.00 C ATOM 1226 CG GLU A 74 15.082 -5.175 3.560 1.00 0.00 C ATOM 1227 CD GLU A 74 16.265 -5.740 2.807 1.00 0.00 C ATOM 1228 OE1 GLU A 74 16.105 -6.775 2.128 1.00 0.00 O ATOM 1229 OE2 GLU A 74 17.358 -5.145 2.883 1.00 0.00 O ATOM 0 H GLU A 74 12.905 -6.352 4.933 1.00 0.00 H new ATOM 0 HA GLU A 74 12.787 -3.730 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.601 -6.417 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.836 -4.873 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.248 -4.113 3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.014 -5.658 4.535 1.00 0.00 H new ATOM 1236 N ILE A 75 10.657 -6.014 2.775 1.00 0.00 N ATOM 1237 CA ILE A 75 9.386 -6.169 2.082 1.00 0.00 C ATOM 1238 C ILE A 75 8.318 -5.318 2.758 1.00 0.00 C ATOM 1239 O ILE A 75 7.508 -4.685 2.086 1.00 0.00 O ATOM 1240 CB ILE A 75 8.929 -7.646 2.013 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.914 -8.456 1.164 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.519 -7.753 1.439 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.509 -9.901 0.964 1.00 0.00 C ATOM 0 H ILE A 75 10.981 -6.849 3.263 1.00 0.00 H new ATOM 0 HA ILE A 75 9.530 -5.830 1.056 1.00 0.00 H new ATOM 0 HB ILE A 75 8.913 -8.052 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.015 -7.979 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.896 -8.426 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.220 -8.801 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.825 -7.201 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.503 -7.334 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.257 -10.407 0.353 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.436 -10.396 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.542 -9.942 0.462 1.00 0.00 H new ATOM 1255 N ALA A 76 8.346 -5.276 4.088 1.00 0.00 N ATOM 1256 CA ALA A 76 7.429 -4.432 4.845 1.00 0.00 C ATOM 1257 C ALA A 76 7.589 -2.971 4.440 1.00 0.00 C ATOM 1258 O ALA A 76 6.607 -2.273 4.186 1.00 0.00 O ATOM 1259 CB ALA A 76 7.665 -4.593 6.339 1.00 0.00 C ATOM 0 H ALA A 76 8.993 -5.816 4.662 1.00 0.00 H new ATOM 0 HA ALA A 76 6.410 -4.746 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.972 -3.956 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.504 -5.633 6.623 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.689 -4.306 6.579 1.00 0.00 H new ATOM 1265 N MET A 77 8.838 -2.517 4.371 1.00 0.00 N ATOM 1266 CA MET A 77 9.129 -1.158 3.936 1.00 0.00 C ATOM 1267 C MET A 77 8.730 -0.955 2.479 1.00 0.00 C ATOM 1268 O MET A 77 8.131 0.062 2.137 1.00 0.00 O ATOM 1269 CB MET A 77 10.611 -0.822 4.127 1.00 0.00 C ATOM 1270 CG MET A 77 11.025 -0.683 5.582 1.00 0.00 C ATOM 1271 SD MET A 77 12.726 -0.115 5.766 1.00 0.00 S ATOM 1272 CE MET A 77 13.619 -1.459 4.984 1.00 0.00 C ATOM 0 H MET A 77 9.661 -3.070 4.610 1.00 0.00 H new ATOM 0 HA MET A 77 8.540 -0.482 4.556 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.214 -1.601 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.833 0.109 3.605 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.356 0.018 6.081 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.911 -1.645 6.082 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.690 -1.316 5.127 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.316 -2.406 5.431 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.394 -1.473 3.917 1.00 0.00 H new ATOM 1282 N ARG A 78 9.049 -1.931 1.631 1.00 0.00 N ATOM 1283 CA ARG A 78 8.691 -1.871 0.216 1.00 0.00 C ATOM 1284 C ARG A 78 7.179 -1.765 0.031 1.00 0.00 C ATOM 1285 O ARG A 78 6.704 -0.970 -0.779 1.00 0.00 O ATOM 1286 CB ARG A 78 9.232 -3.094 -0.536 1.00 0.00 C ATOM 1287 CG ARG A 78 10.719 -3.008 -0.862 1.00 0.00 C ATOM 1288 CD ARG A 78 11.206 -4.252 -1.592 1.00 0.00 C ATOM 1289 NE ARG A 78 12.482 -4.025 -2.274 1.00 0.00 N ATOM 1290 CZ ARG A 78 13.635 -4.601 -1.929 1.00 0.00 C ATOM 1291 NH1 ARG A 78 13.683 -5.465 -0.925 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.744 -4.334 -2.610 1.00 0.00 N ATOM 0 H ARG A 78 9.556 -2.774 1.900 1.00 0.00 H new ATOM 0 HA ARG A 78 9.149 -0.974 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.052 -3.986 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.673 -3.215 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.907 -2.128 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.287 -2.880 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.316 -5.070 -0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.456 -4.562 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 78 12.490 -3.383 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.834 -5.695 -0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.569 -5.900 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.715 -3.687 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.624 -4.776 -2.344 1.00 0.00 H new ATOM 1306 N VAL A 79 6.428 -2.558 0.786 1.00 0.00 N ATOM 1307 CA VAL A 79 4.972 -2.499 0.737 1.00 0.00 C ATOM 1308 C VAL A 79 4.473 -1.160 1.273 1.00 0.00 C ATOM 1309 O VAL A 79 3.530 -0.575 0.733 1.00 0.00 O ATOM 1310 CB VAL A 79 4.325 -3.663 1.520 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.813 -3.496 1.607 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.669 -4.995 0.868 1.00 0.00 C ATOM 0 H VAL A 79 6.802 -3.248 1.438 1.00 0.00 H new ATOM 0 HA VAL A 79 4.676 -2.597 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 79 4.726 -3.649 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.386 -4.330 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.579 -2.562 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.391 -3.476 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.206 -5.806 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.297 -5.006 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.751 -5.129 0.862 1.00 0.00 H new ATOM 1322 N LYS A 80 5.125 -0.659 2.319 1.00 0.00 N ATOM 1323 CA LYS A 80 4.775 0.644 2.863 1.00 0.00 C ATOM 1324 C LYS A 80 5.005 1.721 1.813 1.00 0.00 C ATOM 1325 O LYS A 80 4.239 2.672 1.723 1.00 0.00 O ATOM 1326 CB LYS A 80 5.592 0.985 4.111 1.00 0.00 C ATOM 1327 CG LYS A 80 5.069 2.217 4.843 1.00 0.00 C ATOM 1328 CD LYS A 80 6.113 2.824 5.765 1.00 0.00 C ATOM 1329 CE LYS A 80 7.207 3.525 4.976 1.00 0.00 C ATOM 1330 NZ LYS A 80 6.684 4.694 4.214 1.00 0.00 N ATOM 0 H LYS A 80 5.890 -1.132 2.800 1.00 0.00 H new ATOM 0 HA LYS A 80 3.723 0.604 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.581 0.133 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.631 1.152 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.753 2.963 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.188 1.945 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.636 3.535 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.553 2.042 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.990 3.858 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.666 2.818 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.172 4.757 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.663 4.576 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.852 5.565 4.757 1.00 0.00 H new ATOM 1344 N GLN A 81 6.070 1.568 1.030 1.00 0.00 N ATOM 1345 CA GLN A 81 6.369 2.503 -0.050 1.00 0.00 C ATOM 1346 C GLN A 81 5.207 2.571 -1.034 1.00 0.00 C ATOM 1347 O GLN A 81 4.750 3.662 -1.385 1.00 0.00 O ATOM 1348 CB GLN A 81 7.654 2.104 -0.779 1.00 0.00 C ATOM 1349 CG GLN A 81 8.907 2.229 0.074 1.00 0.00 C ATOM 1350 CD GLN A 81 9.135 3.641 0.577 1.00 0.00 C ATOM 1351 OE1 GLN A 81 8.733 4.612 -0.057 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.797 3.768 1.715 1.00 0.00 N ATOM 0 H GLN A 81 6.740 0.805 1.124 1.00 0.00 H new ATOM 0 HA GLN A 81 6.516 3.489 0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.561 1.074 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.766 2.727 -1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.831 1.553 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.771 1.912 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.116 2.938 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.989 4.696 2.093 1.00 0.00 H new ATOM 1361 N TYR A 82 4.723 1.403 -1.462 1.00 0.00 N ATOM 1362 CA TYR A 82 3.554 1.333 -2.336 1.00 0.00 C ATOM 1363 C TYR A 82 2.381 2.055 -1.688 1.00 0.00 C ATOM 1364 O TYR A 82 1.750 2.919 -2.298 1.00 0.00 O ATOM 1365 CB TYR A 82 3.139 -0.119 -2.604 1.00 0.00 C ATOM 1366 CG TYR A 82 4.255 -1.039 -3.046 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.238 -0.618 -3.933 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.315 -2.342 -2.570 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.248 -1.473 -4.331 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.318 -3.201 -2.964 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.282 -2.764 -3.842 1.00 0.00 C ATOM 1372 OH TYR A 82 7.273 -3.628 -4.244 1.00 0.00 O ATOM 0 H TYR A 82 5.122 0.497 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 82 3.822 1.805 -3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.693 -0.526 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.363 -0.122 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.212 0.391 -4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.562 -2.689 -1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.007 -1.133 -5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.347 -4.212 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 82 7.684 -4.043 -3.457 1.00 0.00 H new ATOM 1382 N ALA A 83 2.113 1.696 -0.436 1.00 0.00 N ATOM 1383 CA ALA A 83 1.017 2.283 0.324 1.00 0.00 C ATOM 1384 C ALA A 83 1.164 3.797 0.427 1.00 0.00 C ATOM 1385 O ALA A 83 0.196 4.529 0.270 1.00 0.00 O ATOM 1386 CB ALA A 83 0.948 1.670 1.714 1.00 0.00 C ATOM 0 H ALA A 83 2.647 0.994 0.077 1.00 0.00 H new ATOM 0 HA ALA A 83 0.090 2.067 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.124 2.119 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.786 0.595 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.884 1.856 2.240 1.00 0.00 H new ATOM 1392 N THR A 84 2.384 4.255 0.675 1.00 0.00 N ATOM 1393 CA THR A 84 2.655 5.678 0.827 1.00 0.00 C ATOM 1394 C THR A 84 2.408 6.420 -0.489 1.00 0.00 C ATOM 1395 O THR A 84 1.923 7.553 -0.493 1.00 0.00 O ATOM 1396 CB THR A 84 4.102 5.922 1.314 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.351 5.142 2.494 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.339 7.393 1.623 1.00 0.00 C ATOM 0 H THR A 84 3.205 3.658 0.776 1.00 0.00 H new ATOM 0 HA THR A 84 1.971 6.067 1.581 1.00 0.00 H new ATOM 0 HB THR A 84 4.783 5.624 0.517 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.711 4.267 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.365 7.533 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.171 7.985 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.651 7.716 2.404 1.00 0.00 H new ATOM 1406 N ALA A 85 2.715 5.764 -1.604 1.00 0.00 N ATOM 1407 CA ALA A 85 2.440 6.329 -2.918 1.00 0.00 C ATOM 1408 C ALA A 85 0.935 6.439 -3.133 1.00 0.00 C ATOM 1409 O ALA A 85 0.443 7.419 -3.700 1.00 0.00 O ATOM 1410 CB ALA A 85 3.077 5.482 -4.008 1.00 0.00 C ATOM 0 H ALA A 85 3.153 4.843 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 85 2.874 7.328 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.861 5.920 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.156 5.447 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.672 4.471 -3.967 1.00 0.00 H new ATOM 1416 N ILE A 86 0.210 5.427 -2.664 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.247 5.430 -2.720 1.00 0.00 C ATOM 1418 C ILE A 86 -1.806 6.507 -1.793 1.00 0.00 C ATOM 1419 O ILE A 86 -2.780 7.177 -2.120 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.832 4.052 -2.327 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.229 2.957 -3.209 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.353 4.059 -2.446 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.680 1.557 -2.850 1.00 0.00 C ATOM 0 H ILE A 86 0.611 4.591 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.539 5.644 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.575 3.847 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.491 3.157 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.142 3.006 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.744 3.081 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.766 4.819 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.636 4.282 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.208 0.839 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.394 1.335 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.763 1.487 -2.948 1.00 0.00 H new ATOM 1435 N MET A 87 -1.164 6.679 -0.644 1.00 0.00 N ATOM 1436 CA MET A 87 -1.556 7.707 0.315 1.00 0.00 C ATOM 1437 C MET A 87 -1.358 9.101 -0.274 1.00 0.00 C ATOM 1438 O MET A 87 -2.147 10.004 -0.024 1.00 0.00 O ATOM 1439 CB MET A 87 -0.754 7.573 1.610 1.00 0.00 C ATOM 1440 CG MET A 87 -1.019 6.285 2.370 1.00 0.00 C ATOM 1441 SD MET A 87 0.071 6.089 3.793 1.00 0.00 S ATOM 1442 CE MET A 87 -0.378 4.441 4.328 1.00 0.00 C ATOM 0 H MET A 87 -0.365 6.117 -0.352 1.00 0.00 H new ATOM 0 HA MET A 87 -2.613 7.568 0.540 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.309 7.632 1.375 1.00 0.00 H new ATOM 0 HB3 MET A 87 -0.985 8.419 2.257 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.056 6.271 2.706 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.890 5.437 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.060 4.244 5.307 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.463 4.363 4.394 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.005 3.711 3.610 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.300 9.268 -1.057 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.060 10.526 -1.755 1.00 0.00 C ATOM 1454 C ARG A 88 -1.202 10.796 -2.734 1.00 0.00 C ATOM 1455 O ARG A 88 -1.726 11.912 -2.814 1.00 0.00 O ATOM 1456 CB ARG A 88 1.289 10.472 -2.480 1.00 0.00 C ATOM 1457 CG ARG A 88 1.603 11.704 -3.313 1.00 0.00 C ATOM 1458 CD ARG A 88 3.027 11.658 -3.843 1.00 0.00 C ATOM 1459 NE ARG A 88 3.276 12.689 -4.847 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.429 13.344 -4.986 1.00 0.00 C ATOM 1461 NH1 ARG A 88 5.444 13.114 -4.157 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.562 14.233 -5.961 1.00 0.00 N ATOM 0 H ARG A 88 0.405 8.550 -1.225 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.024 11.343 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.079 10.336 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.305 9.596 -3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.904 11.771 -4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.466 12.600 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.725 11.783 -3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.220 10.677 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 88 2.516 12.924 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.344 12.431 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.322 13.621 -4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.785 14.412 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.441 14.738 -6.074 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.599 9.749 -3.447 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.741 9.811 -4.351 1.00 0.00 C ATOM 1478 C TYR A 89 -4.010 10.128 -3.557 1.00 0.00 C ATOM 1479 O TYR A 89 -4.863 10.896 -3.998 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.882 8.471 -5.087 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.900 8.468 -6.205 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.616 9.074 -7.422 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.135 7.848 -6.052 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.533 9.066 -8.453 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.058 7.838 -7.081 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.751 8.449 -8.279 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.660 8.437 -9.310 1.00 0.00 O ATOM 0 H TYR A 89 -1.141 8.838 -3.416 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.587 10.601 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.911 8.194 -5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.154 7.702 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.662 9.559 -7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.377 7.367 -5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.296 9.542 -9.393 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.014 7.354 -6.948 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.469 7.961 -9.027 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.102 9.541 -2.367 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.217 9.774 -1.460 1.00 0.00 C ATOM 1499 C ALA A 90 -5.317 11.245 -1.067 1.00 0.00 C ATOM 1500 O ALA A 90 -6.405 11.817 -1.060 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.076 8.902 -0.221 1.00 0.00 C ATOM 0 H ALA A 90 -3.404 8.890 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.136 9.506 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.915 9.085 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.068 7.852 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.144 9.144 0.290 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.178 11.857 -0.746 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.147 13.271 -0.378 1.00 0.00 C ATOM 1509 C VAL A 91 -4.670 14.132 -1.523 1.00 0.00 C ATOM 1510 O VAL A 91 -5.343 15.139 -1.304 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.721 13.748 0.000 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.737 15.197 0.471 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.113 12.857 1.068 1.00 0.00 C ATOM 0 H VAL A 91 -3.268 11.397 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.788 13.381 0.497 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.104 13.682 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.724 15.507 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.119 15.835 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.379 15.288 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.113 13.214 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.737 12.882 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.051 11.834 0.697 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.377 13.717 -2.753 1.00 0.00 N ATOM 1524 CA GLN A 92 -4.811 14.464 -3.929 1.00 0.00 C ATOM 1525 C GLN A 92 -6.329 14.385 -4.113 1.00 0.00 C ATOM 1526 O GLN A 92 -6.930 15.246 -4.754 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.092 13.959 -5.184 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.573 14.024 -5.089 1.00 0.00 C ATOM 1529 CD GLN A 92 -2.065 15.393 -4.668 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.819 16.262 -5.502 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.885 15.586 -3.370 1.00 0.00 N ATOM 0 H GLN A 92 -3.844 12.872 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.548 15.510 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.391 12.928 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.419 14.548 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.226 13.278 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.142 13.764 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.101 14.840 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.531 16.481 -3.032 1.00 0.00 H new ATOM 1540 N GLN A 93 -6.951 13.357 -3.546 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.407 13.228 -3.588 1.00 0.00 C ATOM 1542 C GLN A 93 -9.020 13.681 -2.265 1.00 0.00 C ATOM 1543 O GLN A 93 -10.222 13.538 -2.041 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.823 11.784 -3.876 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.236 11.217 -5.158 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.923 9.938 -5.598 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -9.430 9.177 -4.781 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -8.956 9.698 -6.899 1.00 0.00 N ATOM 0 H GLN A 93 -6.474 12.602 -3.053 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.774 13.864 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.518 11.155 -3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.910 11.734 -3.933 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.318 11.960 -5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.173 11.023 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.524 10.354 -7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.414 8.857 -7.251 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.167 14.226 -1.398 1.00 0.00 N ATOM 1558 CA LYS A 94 -8.553 14.661 -0.053 1.00 0.00 C ATOM 1559 C LYS A 94 -9.115 13.494 0.756 1.00 0.00 C ATOM 1560 O LYS A 94 -9.922 13.675 1.668 1.00 0.00 O ATOM 1561 CB LYS A 94 -9.563 15.812 -0.098 1.00 0.00 C ATOM 1562 CG LYS A 94 -9.590 16.614 1.194 1.00 0.00 C ATOM 1563 CD LYS A 94 -10.445 17.863 1.084 1.00 0.00 C ATOM 1564 CE LYS A 94 -10.375 18.684 2.361 1.00 0.00 C ATOM 1565 NZ LYS A 94 -11.069 19.990 2.225 1.00 0.00 N ATOM 0 H LYS A 94 -7.181 14.380 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.652 15.026 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.317 16.474 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.557 15.411 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.971 15.986 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.572 16.897 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.108 18.466 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.479 17.584 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.823 18.120 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.331 18.854 2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.996 20.517 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.626 20.541 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.071 19.829 1.999 1.00 0.00 H new ATOM 1579 N MET A 95 -8.670 12.294 0.420 1.00 0.00 N ATOM 1580 CA MET A 95 -9.045 11.106 1.165 1.00 0.00 C ATOM 1581 C MET A 95 -8.448 11.173 2.558 1.00 0.00 C ATOM 1582 O MET A 95 -9.113 10.896 3.550 1.00 0.00 O ATOM 1583 CB MET A 95 -8.558 9.856 0.445 1.00 0.00 C ATOM 1584 CG MET A 95 -9.291 9.574 -0.853 1.00 0.00 C ATOM 1585 SD MET A 95 -8.457 8.327 -1.843 1.00 0.00 S ATOM 1586 CE MET A 95 -8.115 7.087 -0.599 1.00 0.00 C ATOM 0 H MET A 95 -8.046 12.118 -0.367 1.00 0.00 H new ATOM 0 HA MET A 95 -10.131 11.059 1.241 1.00 0.00 H new ATOM 0 HB2 MET A 95 -7.493 9.960 0.235 1.00 0.00 H new ATOM 0 HB3 MET A 95 -8.670 8.999 1.109 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.305 9.242 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.376 10.496 -1.428 1.00 0.00 H new ATOM 0 HE1 MET A 95 -7.916 6.131 -1.083 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.244 7.387 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.976 6.987 0.061 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.181 11.551 2.616 1.00 0.00 N ATOM 1597 CA ILE A 96 -6.511 11.786 3.878 1.00 0.00 C ATOM 1598 C ILE A 96 -5.987 13.215 3.914 1.00 0.00 C ATOM 1599 O ILE A 96 -5.447 13.714 2.924 1.00 0.00 O ATOM 1600 CB ILE A 96 -5.354 10.789 4.130 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.326 10.840 2.997 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -5.898 9.380 4.291 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.114 9.963 3.236 1.00 0.00 C ATOM 0 H ILE A 96 -6.595 11.702 1.795 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.241 11.633 4.673 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.851 11.079 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.807 10.535 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.997 11.870 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.073 8.690 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.584 9.349 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.427 9.088 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.430 10.050 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.608 10.282 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.431 8.925 3.340 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.180 13.874 5.042 1.00 0.00 N ATOM 1616 CA ARG A 97 -5.776 15.265 5.204 1.00 0.00 C ATOM 1617 C ARG A 97 -4.259 15.393 5.195 1.00 0.00 C ATOM 1618 O ARG A 97 -3.708 16.362 4.671 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.343 15.818 6.509 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.861 15.797 6.568 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.357 15.881 8.000 1.00 0.00 C ATOM 1622 NE ARG A 97 -7.948 14.716 8.784 1.00 0.00 N ATOM 1623 CZ ARG A 97 -7.392 14.788 9.992 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -7.154 15.968 10.549 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -7.066 13.678 10.639 1.00 0.00 N ATOM 0 H ARG A 97 -6.618 13.467 5.868 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.171 15.841 4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.947 15.238 7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.996 16.843 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.261 16.632 5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.233 14.883 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.970 16.787 8.466 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.444 15.959 8.004 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.098 13.791 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.397 16.825 10.052 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.728 16.019 11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.241 12.769 10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.640 13.733 11.564 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.592 14.404 5.768 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.141 14.395 5.847 1.00 0.00 C ATOM 1641 C PHE A 98 -1.642 12.957 5.843 1.00 0.00 C ATOM 1642 O PHE A 98 -2.366 12.048 6.247 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.683 15.134 7.111 1.00 0.00 C ATOM 1644 CG PHE A 98 -0.190 15.238 7.263 1.00 0.00 C ATOM 1645 CD1 PHE A 98 0.552 16.044 6.412 1.00 0.00 C ATOM 1646 CD2 PHE A 98 0.470 14.532 8.256 1.00 0.00 C ATOM 1647 CE1 PHE A 98 1.923 16.142 6.551 1.00 0.00 C ATOM 1648 CE2 PHE A 98 1.841 14.627 8.398 1.00 0.00 C ATOM 1649 CZ PHE A 98 2.570 15.433 7.544 1.00 0.00 C ATOM 0 H PHE A 98 -4.039 13.589 6.189 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.722 14.910 4.983 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.106 16.138 7.103 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -2.090 14.623 7.984 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.053 16.601 5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.094 13.900 8.927 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.489 16.774 5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.343 14.071 9.176 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.642 15.508 7.653 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.418 12.753 5.375 1.00 0.00 N ATOM 1660 CA ASN A 99 0.154 11.416 5.276 1.00 0.00 C ATOM 1661 C ASN A 99 0.656 10.939 6.637 1.00 0.00 C ATOM 1662 O ASN A 99 1.577 11.524 7.206 1.00 0.00 O ATOM 1663 CB ASN A 99 1.307 11.405 4.271 1.00 0.00 C ATOM 1664 CG ASN A 99 1.887 10.017 4.080 1.00 0.00 C ATOM 1665 OD1 ASN A 99 2.745 9.582 4.840 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.435 9.321 3.053 1.00 0.00 N ATOM 0 H ASN A 99 0.200 13.499 5.057 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.628 10.739 4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.954 11.785 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 99 2.091 12.081 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.801 8.387 2.870 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.720 9.718 2.443 1.00 0.00 H new ATOM 1673 N PRO A 100 0.060 9.866 7.175 1.00 0.00 N ATOM 1674 CA PRO A 100 0.413 9.332 8.490 1.00 0.00 C ATOM 1675 C PRO A 100 1.678 8.474 8.461 1.00 0.00 C ATOM 1676 O PRO A 100 2.259 8.176 9.502 1.00 0.00 O ATOM 1677 CB PRO A 100 -0.806 8.471 8.876 1.00 0.00 C ATOM 1678 CG PRO A 100 -1.795 8.621 7.759 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.024 9.094 6.563 1.00 0.00 C ATOM 0 HA PRO A 100 0.630 10.132 9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.520 7.427 9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.234 8.804 9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.290 7.673 7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.574 9.336 8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.646 8.263 5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.636 9.707 5.901 1.00 0.00 H new ATOM 1687 N ALA A 101 2.114 8.092 7.267 1.00 0.00 N ATOM 1688 CA ALA A 101 3.271 7.217 7.124 1.00 0.00 C ATOM 1689 C ALA A 101 4.569 7.983 7.361 1.00 0.00 C ATOM 1690 O ALA A 101 5.520 7.449 7.939 1.00 0.00 O ATOM 1691 CB ALA A 101 3.276 6.560 5.751 1.00 0.00 C ATOM 0 H ALA A 101 1.685 8.374 6.385 1.00 0.00 H new ATOM 0 HA ALA A 101 3.201 6.435 7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.147 5.910 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.368 5.969 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.317 7.329 4.980 1.00 0.00 H new ATOM 1697 N TYR A 102 4.597 9.243 6.939 1.00 0.00 N ATOM 1698 CA TYR A 102 5.776 10.085 7.132 1.00 0.00 C ATOM 1699 C TYR A 102 5.950 10.464 8.597 1.00 0.00 C ATOM 1700 O TYR A 102 6.971 11.034 8.979 1.00 0.00 O ATOM 1701 CB TYR A 102 5.707 11.352 6.273 1.00 0.00 C ATOM 1702 CG TYR A 102 5.891 11.101 4.791 1.00 0.00 C ATOM 1703 CD1 TYR A 102 7.016 10.438 4.312 1.00 0.00 C ATOM 1704 CD2 TYR A 102 4.942 11.527 3.874 1.00 0.00 C ATOM 1705 CE1 TYR A 102 7.186 10.207 2.960 1.00 0.00 C ATOM 1706 CE2 TYR A 102 5.103 11.298 2.520 1.00 0.00 C ATOM 1707 CZ TYR A 102 6.226 10.638 2.067 1.00 0.00 C ATOM 1708 OH TYR A 102 6.391 10.408 0.718 1.00 0.00 O ATOM 0 H TYR A 102 3.821 9.704 6.463 1.00 0.00 H new ATOM 0 HA TYR A 102 6.640 9.500 6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 102 4.743 11.835 6.433 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.473 12.050 6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.769 10.098 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.062 12.047 4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.066 9.692 2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.353 11.635 1.820 1.00 0.00 H new ATOM 0 HH TYR A 102 5.625 10.774 0.228 1.00 0.00 H new ATOM 1718 N ASP A 103 4.957 10.146 9.421 1.00 0.00 N ATOM 1719 CA ASP A 103 5.050 10.397 10.852 1.00 0.00 C ATOM 1720 C ASP A 103 6.079 9.461 11.474 1.00 0.00 C ATOM 1721 O ASP A 103 6.777 9.823 12.418 1.00 0.00 O ATOM 1722 CB ASP A 103 3.689 10.217 11.529 1.00 0.00 C ATOM 1723 CG ASP A 103 3.712 10.606 12.995 1.00 0.00 C ATOM 1724 OD1 ASP A 103 3.881 11.809 13.293 1.00 0.00 O ATOM 1725 OD2 ASP A 103 3.561 9.716 13.856 1.00 0.00 O ATOM 0 H ASP A 103 4.082 9.715 9.122 1.00 0.00 H new ATOM 0 HA ASP A 103 5.367 11.429 11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.945 10.820 11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.376 9.177 11.438 1.00 0.00 H new ATOM 1730 N LEU A 104 6.187 8.261 10.913 1.00 0.00 N ATOM 1731 CA LEU A 104 7.172 7.288 11.368 1.00 0.00 C ATOM 1732 C LEU A 104 8.535 7.613 10.779 1.00 0.00 C ATOM 1733 O LEU A 104 9.561 7.515 11.452 1.00 0.00 O ATOM 1734 CB LEU A 104 6.773 5.861 10.966 1.00 0.00 C ATOM 1735 CG LEU A 104 5.473 5.322 11.573 1.00 0.00 C ATOM 1736 CD1 LEU A 104 5.417 5.593 13.070 1.00 0.00 C ATOM 1737 CD2 LEU A 104 4.255 5.902 10.871 1.00 0.00 C ATOM 0 H LEU A 104 5.603 7.939 10.141 1.00 0.00 H new ATOM 0 HA LEU A 104 7.216 7.342 12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.685 5.824 9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.585 5.188 11.243 1.00 0.00 H new ATOM 0 HG LEU A 104 5.461 4.242 11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.485 5.201 13.476 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.260 5.105 13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.466 6.667 13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.348 5.501 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.260 6.987 10.970 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.282 5.634 9.815 1.00 0.00 H new ATOM 1749 N GLU A 105 8.529 8.023 9.518 1.00 0.00 N ATOM 1750 CA GLU A 105 9.758 8.367 8.806 1.00 0.00 C ATOM 1751 C GLU A 105 10.281 9.740 9.233 1.00 0.00 C ATOM 1752 O GLU A 105 11.211 10.283 8.633 1.00 0.00 O ATOM 1753 CB GLU A 105 9.514 8.329 7.298 1.00 0.00 C ATOM 1754 CG GLU A 105 9.081 6.959 6.804 1.00 0.00 C ATOM 1755 CD GLU A 105 8.840 6.916 5.310 1.00 0.00 C ATOM 1756 OE1 GLU A 105 9.812 6.716 4.553 1.00 0.00 O ATOM 1757 OE2 GLU A 105 7.673 7.049 4.889 1.00 0.00 O ATOM 0 H GLU A 105 7.681 8.127 8.961 1.00 0.00 H new ATOM 0 HA GLU A 105 10.520 7.630 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.749 9.061 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.426 8.625 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.846 6.227 7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.168 6.664 7.322 1.00 0.00 H new ATOM 1764 N GLY A 106 9.671 10.293 10.269 1.00 0.00 N ATOM 1765 CA GLY A 106 10.134 11.534 10.850 1.00 0.00 C ATOM 1766 C GLY A 106 9.796 11.600 12.322 1.00 0.00 C ATOM 1767 O GLY A 106 9.576 12.677 12.875 1.00 0.00 O ATOM 0 H GLY A 106 8.849 9.896 10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.212 11.623 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.678 12.376 10.330 1.00 0.00 H new ATOM 1771 N ALA A 107 9.760 10.431 12.953 1.00 0.00 N ATOM 1772 CA ALA A 107 9.347 10.315 14.346 1.00 0.00 C ATOM 1773 C ALA A 107 10.400 10.873 15.294 1.00 0.00 C ATOM 1774 O ALA A 107 11.598 10.841 15.002 1.00 0.00 O ATOM 1775 CB ALA A 107 9.055 8.861 14.686 1.00 0.00 C ATOM 0 H ALA A 107 10.014 9.544 12.517 1.00 0.00 H new ATOM 0 HA ALA A 107 8.440 10.906 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.747 8.786 15.729 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.255 8.491 14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.953 8.263 14.529 1.00 0.00 H new ATOM 1781 N VAL A 108 9.939 11.378 16.427 1.00 0.00 N ATOM 1782 CA VAL A 108 10.817 11.945 17.435 1.00 0.00 C ATOM 1783 C VAL A 108 11.093 10.918 18.531 1.00 0.00 C ATOM 1784 O VAL A 108 10.175 10.454 19.212 1.00 0.00 O ATOM 1785 CB VAL A 108 10.207 13.218 18.060 1.00 0.00 C ATOM 1786 CG1 VAL A 108 11.191 13.876 19.012 1.00 0.00 C ATOM 1787 CG2 VAL A 108 9.776 14.197 16.977 1.00 0.00 C ATOM 0 H VAL A 108 8.949 11.406 16.672 1.00 0.00 H new ATOM 0 HA VAL A 108 11.752 12.217 16.946 1.00 0.00 H new ATOM 0 HB VAL A 108 9.324 12.926 18.629 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.740 14.771 19.440 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.445 13.180 19.811 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.095 14.150 18.468 1.00 0.00 H new ATOM 0 HG21 VAL A 108 9.349 15.087 17.440 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.641 14.480 16.377 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.029 13.727 16.338 1.00 0.00 H new ATOM 1797 N GLN A 109 12.361 10.571 18.700 1.00 0.00 N ATOM 1798 CA GLN A 109 12.767 9.544 19.656 1.00 0.00 C ATOM 1799 C GLN A 109 12.646 10.035 21.094 1.00 0.00 C ATOM 1800 O GLN A 109 12.745 9.254 22.039 1.00 0.00 O ATOM 1801 CB GLN A 109 14.206 9.109 19.376 1.00 0.00 C ATOM 1802 CG GLN A 109 14.408 8.549 17.977 1.00 0.00 C ATOM 1803 CD GLN A 109 13.543 7.334 17.711 1.00 0.00 C ATOM 1804 OE1 GLN A 109 13.244 6.556 18.618 1.00 0.00 O ATOM 1805 NE2 GLN A 109 13.122 7.168 16.468 1.00 0.00 N ATOM 0 H GLN A 109 13.135 10.989 18.183 1.00 0.00 H new ATOM 0 HA GLN A 109 12.097 8.693 19.535 1.00 0.00 H new ATOM 0 HB2 GLN A 109 14.869 9.962 19.517 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.498 8.355 20.107 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.180 9.322 17.243 1.00 0.00 H new ATOM 0 HG3 GLN A 109 15.456 8.282 17.843 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.392 7.835 15.745 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.528 6.373 16.233 1.00 0.00 H new ATOM 1814 N LYS A 110 12.407 11.328 21.253 1.00 0.00 N ATOM 1815 CA LYS A 110 12.318 11.935 22.574 1.00 0.00 C ATOM 1816 C LYS A 110 11.046 11.500 23.295 1.00 0.00 C ATOM 1817 O LYS A 110 10.941 11.634 24.512 1.00 0.00 O ATOM 1818 CB LYS A 110 12.359 13.458 22.456 1.00 0.00 C ATOM 1819 CG LYS A 110 13.574 13.966 21.703 1.00 0.00 C ATOM 1820 CD LYS A 110 13.584 15.482 21.604 1.00 0.00 C ATOM 1821 CE LYS A 110 14.724 15.965 20.722 1.00 0.00 C ATOM 1822 NZ LYS A 110 16.050 15.536 21.236 1.00 0.00 N ATOM 0 H LYS A 110 12.271 11.980 20.481 1.00 0.00 H new ATOM 0 HA LYS A 110 13.173 11.597 23.160 1.00 0.00 H new ATOM 0 HB2 LYS A 110 11.456 13.801 21.950 1.00 0.00 H new ATOM 0 HB3 LYS A 110 12.350 13.894 23.455 1.00 0.00 H new ATOM 0 HG2 LYS A 110 14.480 13.629 22.206 1.00 0.00 H new ATOM 0 HG3 LYS A 110 13.587 13.536 20.701 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.634 15.829 21.198 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.682 15.914 22.600 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.587 15.582 19.711 1.00 0.00 H new ATOM 0 HE3 LYS A 110 14.696 17.053 20.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 16.801 16.023 20.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 16.125 15.776 22.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 16.153 14.508 21.116 1.00 0.00 H new ATOM 1836 N LEU A 111 10.083 10.980 22.542 1.00 0.00 N ATOM 1837 CA LEU A 111 8.825 10.523 23.122 1.00 0.00 C ATOM 1838 C LEU A 111 8.719 9.001 23.055 1.00 0.00 C ATOM 1839 O LEU A 111 7.647 8.433 23.258 1.00 0.00 O ATOM 1840 CB LEU A 111 7.639 11.160 22.394 1.00 0.00 C ATOM 1841 CG LEU A 111 7.583 12.688 22.440 1.00 0.00 C ATOM 1842 CD1 LEU A 111 6.342 13.194 21.722 1.00 0.00 C ATOM 1843 CD2 LEU A 111 7.608 13.185 23.879 1.00 0.00 C ATOM 0 H LEU A 111 10.149 10.864 21.531 1.00 0.00 H new ATOM 0 HA LEU A 111 8.804 10.828 24.168 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.664 10.846 21.351 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.718 10.767 22.823 1.00 0.00 H new ATOM 0 HG LEU A 111 8.463 13.080 21.930 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.316 14.283 21.763 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.367 12.871 20.681 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.452 12.791 22.206 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.567 14.274 23.889 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.749 12.785 24.417 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.526 12.852 24.363 1.00 0.00 H new ATOM 1855 N GLU A 112 9.841 8.348 22.788 1.00 0.00 N ATOM 1856 CA GLU A 112 9.872 6.898 22.649 1.00 0.00 C ATOM 1857 C GLU A 112 9.984 6.244 24.034 1.00 0.00 C ATOM 1858 O GLU A 112 10.619 6.792 24.937 1.00 0.00 O ATOM 1859 CB GLU A 112 11.037 6.514 21.724 1.00 0.00 C ATOM 1860 CG GLU A 112 11.008 5.083 21.207 1.00 0.00 C ATOM 1861 CD GLU A 112 11.468 4.089 22.242 1.00 0.00 C ATOM 1862 OE1 GLU A 112 12.589 4.252 22.755 1.00 0.00 O ATOM 1863 OE2 GLU A 112 10.702 3.160 22.569 1.00 0.00 O ATOM 0 H GLU A 112 10.746 8.801 22.663 1.00 0.00 H new ATOM 0 HA GLU A 112 8.949 6.534 22.199 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.041 7.192 20.870 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.973 6.671 22.260 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.995 4.834 20.893 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.643 5.005 20.325 1.00 0.00 H new ATOM 1870 N HIS A 113 9.364 5.074 24.190 1.00 0.00 N ATOM 1871 CA HIS A 113 9.239 4.413 25.494 1.00 0.00 C ATOM 1872 C HIS A 113 10.585 3.968 26.067 1.00 0.00 C ATOM 1873 O HIS A 113 10.844 4.164 27.252 1.00 0.00 O ATOM 1874 CB HIS A 113 8.302 3.206 25.400 1.00 0.00 C ATOM 1875 CG HIS A 113 6.867 3.571 25.173 1.00 0.00 C ATOM 1876 ND1 HIS A 113 6.181 3.265 24.017 1.00 0.00 N ATOM 1877 CD2 HIS A 113 5.983 4.219 25.969 1.00 0.00 C ATOM 1878 CE1 HIS A 113 4.943 3.710 24.114 1.00 0.00 C ATOM 1879 NE2 HIS A 113 4.798 4.292 25.286 1.00 0.00 N ATOM 0 H HIS A 113 8.935 4.558 23.422 1.00 0.00 H new ATOM 0 HA HIS A 113 8.822 5.156 26.174 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.636 2.561 24.587 1.00 0.00 H new ATOM 0 HB3 HIS A 113 8.379 2.626 26.320 1.00 0.00 H new ATOM 0 HD2 HIS A 113 6.177 4.606 26.958 1.00 0.00 H new ATOM 0 HE1 HIS A 113 4.177 3.613 23.359 1.00 0.00 H new ATOM 0 HE2 HIS A 113 3.942 4.727 25.630 1.00 0.00 H new ATOM 1888 N HIS A 114 11.440 3.378 25.236 1.00 0.00 N ATOM 1889 CA HIS A 114 12.744 2.894 25.700 1.00 0.00 C ATOM 1890 C HIS A 114 13.647 4.060 26.069 1.00 0.00 C ATOM 1891 O HIS A 114 14.610 3.904 26.820 1.00 0.00 O ATOM 1892 CB HIS A 114 13.433 2.023 24.641 1.00 0.00 C ATOM 1893 CG HIS A 114 12.737 0.724 24.375 1.00 0.00 C ATOM 1894 ND1 HIS A 114 12.767 -0.337 25.251 1.00 0.00 N ATOM 1895 CD2 HIS A 114 11.987 0.319 23.326 1.00 0.00 C ATOM 1896 CE1 HIS A 114 12.067 -1.335 24.752 1.00 0.00 C ATOM 1897 NE2 HIS A 114 11.580 -0.965 23.586 1.00 0.00 N ATOM 0 H HIS A 114 11.259 3.223 24.244 1.00 0.00 H new ATOM 0 HA HIS A 114 12.566 2.281 26.584 1.00 0.00 H new ATOM 0 HB2 HIS A 114 13.499 2.585 23.710 1.00 0.00 H new ATOM 0 HB3 HIS A 114 14.454 1.817 24.963 1.00 0.00 H new ATOM 0 HD2 HIS A 114 11.752 0.899 22.446 1.00 0.00 H new ATOM 0 HE1 HIS A 114 11.917 -2.296 25.221 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.997 -1.538 22.977 1.00 0.00 H new ATOM 1906 N HIS A 115 13.322 5.233 25.543 1.00 0.00 N ATOM 1907 CA HIS A 115 14.049 6.453 25.874 1.00 0.00 C ATOM 1908 C HIS A 115 13.566 7.010 27.209 1.00 0.00 C ATOM 1909 O HIS A 115 14.112 7.981 27.729 1.00 0.00 O ATOM 1910 CB HIS A 115 13.878 7.497 24.769 1.00 0.00 C ATOM 1911 CG HIS A 115 14.657 7.197 23.524 1.00 0.00 C ATOM 1912 ND1 HIS A 115 14.341 6.172 22.655 1.00 0.00 N ATOM 1913 CD2 HIS A 115 15.748 7.804 23.000 1.00 0.00 C ATOM 1914 CE1 HIS A 115 15.200 6.165 21.655 1.00 0.00 C ATOM 1915 NE2 HIS A 115 16.061 7.143 21.840 1.00 0.00 N ATOM 0 H HIS A 115 12.556 5.367 24.882 1.00 0.00 H new ATOM 0 HA HIS A 115 15.109 6.212 25.959 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.821 7.573 24.515 1.00 0.00 H new ATOM 0 HB3 HIS A 115 14.184 8.470 25.152 1.00 0.00 H new ATOM 0 HD1 HIS A 115 13.564 5.521 22.769 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.273 8.650 23.417 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.198 5.474 20.825 1.00 0.00 H new ATOM 1924 N HIS A 116 12.536 6.383 27.754 1.00 0.00 N ATOM 1925 CA HIS A 116 12.001 6.752 29.055 1.00 0.00 C ATOM 1926 C HIS A 116 12.137 5.574 30.005 1.00 0.00 C ATOM 1927 O HIS A 116 12.855 4.619 29.722 1.00 0.00 O ATOM 1928 CB HIS A 116 10.523 7.145 28.953 1.00 0.00 C ATOM 1929 CG HIS A 116 10.252 8.294 28.038 1.00 0.00 C ATOM 1930 ND1 HIS A 116 9.138 8.360 27.234 1.00 0.00 N ATOM 1931 CD2 HIS A 116 10.944 9.433 27.814 1.00 0.00 C ATOM 1932 CE1 HIS A 116 9.156 9.488 26.555 1.00 0.00 C ATOM 1933 NE2 HIS A 116 10.241 10.160 26.890 1.00 0.00 N ATOM 0 H HIS A 116 12.048 5.606 27.308 1.00 0.00 H new ATOM 0 HA HIS A 116 12.563 7.609 29.427 1.00 0.00 H new ATOM 0 HB2 HIS A 116 9.953 6.281 28.611 1.00 0.00 H new ATOM 0 HB3 HIS A 116 10.156 7.395 29.949 1.00 0.00 H new ATOM 0 HD2 HIS A 116 11.877 9.717 28.277 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.409 9.809 25.844 1.00 0.00 H new ATOM 0 HE2 HIS A 116 10.512 11.072 26.521 1.00 0.00 H new ATOM 1942 N HIS A 117 11.452 5.645 31.133 1.00 0.00 N ATOM 1943 CA HIS A 117 11.405 4.528 32.064 1.00 0.00 C ATOM 1944 C HIS A 117 10.066 3.819 31.921 1.00 0.00 C ATOM 1945 O HIS A 117 10.008 2.618 31.658 1.00 0.00 O ATOM 1946 CB HIS A 117 11.612 5.006 33.508 1.00 0.00 C ATOM 1947 CG HIS A 117 12.972 5.585 33.762 1.00 0.00 C ATOM 1948 ND1 HIS A 117 13.834 5.102 34.721 1.00 0.00 N ATOM 1949 CD2 HIS A 117 13.618 6.617 33.170 1.00 0.00 C ATOM 1950 CE1 HIS A 117 14.951 5.804 34.701 1.00 0.00 C ATOM 1951 NE2 HIS A 117 14.846 6.730 33.767 1.00 0.00 N ATOM 0 H HIS A 117 10.920 6.464 31.428 1.00 0.00 H new ATOM 0 HA HIS A 117 12.212 3.834 31.830 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.857 5.756 33.745 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.451 4.167 34.186 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.235 7.238 32.373 1.00 0.00 H new ATOM 0 HE1 HIS A 117 15.807 5.647 35.341 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.561 7.417 33.529 1.00 0.00 H new ATOM 1960 N HIS A 118 8.992 4.579 32.080 1.00 0.00 N ATOM 1961 CA HIS A 118 7.646 4.064 31.877 1.00 0.00 C ATOM 1962 C HIS A 118 6.982 4.796 30.721 1.00 0.00 C ATOM 1963 O HIS A 118 6.478 5.914 30.938 1.00 0.00 O ATOM 1964 CB HIS A 118 6.799 4.208 33.149 1.00 0.00 C ATOM 1965 CG HIS A 118 7.103 3.189 34.205 1.00 0.00 C ATOM 1966 ND1 HIS A 118 6.263 2.938 35.268 1.00 0.00 N ATOM 1967 CD2 HIS A 118 8.156 2.352 34.358 1.00 0.00 C ATOM 1968 CE1 HIS A 118 6.788 1.993 36.026 1.00 0.00 C ATOM 1969 NE2 HIS A 118 7.937 1.620 35.495 1.00 0.00 N ATOM 1970 OXT HIS A 118 6.979 4.260 29.592 1.00 0.00 O ATOM 0 H HIS A 118 9.028 5.562 32.351 1.00 0.00 H new ATOM 0 HA HIS A 118 7.719 3.003 31.639 1.00 0.00 H new ATOM 0 HB2 HIS A 118 6.954 5.204 33.565 1.00 0.00 H new ATOM 0 HB3 HIS A 118 5.745 4.135 32.881 1.00 0.00 H new ATOM 0 HD2 HIS A 118 9.012 2.275 33.704 1.00 0.00 H new ATOM 0 HE1 HIS A 118 6.351 1.593 36.929 1.00 0.00 H new ATOM 0 HE2 HIS A 118 8.560 0.904 35.870 1.00 0.00 H new TER 1979 HIS A 118