USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : no HD1:sc= -0.514 K(o=-0.11,f=-7.2!) USER MOD Set 1.2: A 129 GLN :FLIP amide:sc= 0.409 F(o=-1.5,f=-0.11) USER MOD Set 2.1: A 47 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 49 THR OG1 : rot -170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.857 (180deg=-1.4) USER MOD Single : A 5 LYS NZ :NH3+ -116:sc= 0.0197 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.66) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 150:sc= -1.17 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.0674 (180deg=-0.378) USER MOD Single : A 45 HIS : no HD1:sc= -0.805 K(o=-0.8,f=-1.5) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00396 USER MOD Single : A 67 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0508 USER MOD Single : A 76 LYS NZ :NH3+ 142:sc= -0.0374 (180deg=-0.748) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 165:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 127 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.2) USER MOD Single : A 132 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0673) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.254 -6.503 7.821 1.00 0.00 N ATOM 2 CA MET A 1 10.793 -5.205 8.284 1.00 0.00 C ATOM 3 C MET A 1 9.928 -4.521 7.224 1.00 0.00 C ATOM 4 O MET A 1 8.759 -4.226 7.467 1.00 0.00 O ATOM 5 CB MET A 1 11.999 -4.321 8.607 1.00 0.00 C ATOM 6 CG MET A 1 12.577 -4.663 9.982 1.00 0.00 C ATOM 7 SD MET A 1 12.419 -3.262 11.077 1.00 0.00 S ATOM 8 CE MET A 1 11.480 -4.006 12.400 1.00 0.00 C ATOM 0 H1 MET A 1 10.967 -7.236 8.500 1.00 0.00 H new ATOM 0 H2 MET A 1 10.835 -6.709 6.892 1.00 0.00 H new ATOM 0 H3 MET A 1 12.291 -6.494 7.739 1.00 0.00 H new ATOM 0 HA MET A 1 10.189 -5.352 9.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.766 -4.452 7.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.702 -3.272 8.584 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.055 -5.523 10.401 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.626 -4.943 9.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.292 -3.263 13.175 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.530 -4.373 12.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.044 -4.837 12.823 1.00 0.00 H new ATOM 18 N VAL A 2 10.536 -4.288 6.070 1.00 0.00 N ATOM 19 CA VAL A 2 9.836 -3.644 4.972 1.00 0.00 C ATOM 20 C VAL A 2 10.288 -4.266 3.649 1.00 0.00 C ATOM 21 O VAL A 2 11.464 -4.580 3.477 1.00 0.00 O ATOM 22 CB VAL A 2 10.057 -2.131 5.026 1.00 0.00 C ATOM 23 CG1 VAL A 2 9.185 -1.412 3.994 1.00 0.00 C ATOM 24 CG2 VAL A 2 9.799 -1.589 6.434 1.00 0.00 C ATOM 0 H VAL A 2 11.506 -4.534 5.872 1.00 0.00 H new ATOM 0 HA VAL A 2 8.762 -3.806 5.058 1.00 0.00 H new ATOM 0 HB VAL A 2 11.100 -1.936 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.361 -0.338 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.437 -1.766 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.134 -1.619 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.963 -0.511 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.770 -1.802 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.480 -2.067 7.138 1.00 0.00 H new ATOM 34 N PRO A 3 9.303 -4.431 2.726 1.00 0.00 N ATOM 35 CA PRO A 3 9.588 -5.011 1.424 1.00 0.00 C ATOM 36 C PRO A 3 10.312 -4.008 0.524 1.00 0.00 C ATOM 37 O PRO A 3 10.506 -2.854 0.904 1.00 0.00 O ATOM 38 CB PRO A 3 8.233 -5.431 0.876 1.00 0.00 C ATOM 39 CG PRO A 3 7.201 -4.656 1.678 1.00 0.00 C ATOM 40 CD PRO A 3 7.898 -4.071 2.895 1.00 0.00 C ATOM 0 HA PRO A 3 10.262 -5.866 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.154 -5.203 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.084 -6.506 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.763 -3.863 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.385 -5.311 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.769 -2.990 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.492 -4.482 3.819 1.00 0.00 H new ATOM 48 N PRO A 4 10.702 -4.497 -0.684 1.00 0.00 N ATOM 49 CA PRO A 4 11.401 -3.657 -1.641 1.00 0.00 C ATOM 50 C PRO A 4 10.440 -2.673 -2.312 1.00 0.00 C ATOM 51 O PRO A 4 10.657 -1.463 -2.272 1.00 0.00 O ATOM 52 CB PRO A 4 12.039 -4.626 -2.623 1.00 0.00 C ATOM 53 CG PRO A 4 11.296 -5.941 -2.454 1.00 0.00 C ATOM 54 CD PRO A 4 10.489 -5.858 -1.168 1.00 0.00 C ATOM 0 HA PRO A 4 12.158 -3.028 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.954 -4.258 -3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.102 -4.749 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.640 -6.121 -3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.998 -6.774 -2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.432 -6.053 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.828 -6.595 -0.440 1.00 0.00 H new ATOM 62 N LYS A 5 9.398 -3.229 -2.912 1.00 0.00 N ATOM 63 CA LYS A 5 8.402 -2.415 -3.590 1.00 0.00 C ATOM 64 C LYS A 5 8.149 -1.144 -2.777 1.00 0.00 C ATOM 65 O LYS A 5 8.054 -0.053 -3.337 1.00 0.00 O ATOM 66 CB LYS A 5 7.138 -3.233 -3.862 1.00 0.00 C ATOM 67 CG LYS A 5 7.318 -4.128 -5.090 1.00 0.00 C ATOM 68 CD LYS A 5 7.126 -5.601 -4.728 1.00 0.00 C ATOM 69 CE LYS A 5 6.070 -6.253 -5.623 1.00 0.00 C ATOM 70 NZ LYS A 5 5.457 -7.415 -4.940 1.00 0.00 N ATOM 0 H LYS A 5 9.221 -4.233 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 5 8.768 -2.101 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.903 -3.846 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.293 -2.562 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.601 -3.843 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.313 -3.980 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.073 -6.131 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.826 -5.686 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.300 -5.525 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.526 -6.573 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.680 -8.284 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.834 -7.489 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.425 -7.290 -4.900 1.00 0.00 H new ATOM 84 N LEU A 6 8.048 -1.327 -1.468 1.00 0.00 N ATOM 85 CA LEU A 6 7.808 -0.209 -0.573 1.00 0.00 C ATOM 86 C LEU A 6 9.081 0.633 -0.462 1.00 0.00 C ATOM 87 O LEU A 6 9.132 1.757 -0.959 1.00 0.00 O ATOM 88 CB LEU A 6 7.279 -0.705 0.775 1.00 0.00 C ATOM 89 CG LEU A 6 6.233 0.182 1.452 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.388 0.148 2.974 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.284 1.609 0.903 1.00 0.00 C ATOM 0 H LEU A 6 8.128 -2.233 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 6 7.030 0.440 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.848 -1.696 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.124 -0.820 1.454 1.00 0.00 H new ATOM 0 HG LEU A 6 5.246 -0.217 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.632 0.787 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.262 -0.875 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.380 0.507 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.530 2.218 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.271 2.034 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.087 1.594 -0.169 1.00 0.00 H new ATOM 103 N LYS A 7 10.077 0.056 0.194 1.00 0.00 N ATOM 104 CA LYS A 7 11.347 0.739 0.376 1.00 0.00 C ATOM 105 C LYS A 7 11.701 1.499 -0.904 1.00 0.00 C ATOM 106 O LYS A 7 12.363 2.535 -0.852 1.00 0.00 O ATOM 107 CB LYS A 7 12.427 -0.248 0.823 1.00 0.00 C ATOM 108 CG LYS A 7 13.647 0.489 1.381 1.00 0.00 C ATOM 109 CD LYS A 7 13.875 0.136 2.852 1.00 0.00 C ATOM 110 CE LYS A 7 14.976 1.007 3.460 1.00 0.00 C ATOM 111 NZ LYS A 7 16.284 0.318 3.384 1.00 0.00 N ATOM 0 H LYS A 7 10.031 -0.876 0.606 1.00 0.00 H new ATOM 0 HA LYS A 7 11.271 1.477 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.022 -0.916 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.728 -0.870 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.531 0.228 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.504 1.565 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.949 0.272 3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.148 -0.916 2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.028 1.959 2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.737 1.233 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.020 0.923 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.235 -0.579 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.517 0.125 2.389 1.00 0.00 H new ATOM 125 N GLN A 8 11.244 0.956 -2.022 1.00 0.00 N ATOM 126 CA GLN A 8 11.504 1.570 -3.313 1.00 0.00 C ATOM 127 C GLN A 8 10.643 2.822 -3.488 1.00 0.00 C ATOM 128 O GLN A 8 11.165 3.915 -3.705 1.00 0.00 O ATOM 129 CB GLN A 8 11.265 0.576 -4.451 1.00 0.00 C ATOM 130 CG GLN A 8 12.556 -0.159 -4.818 1.00 0.00 C ATOM 131 CD GLN A 8 13.173 0.420 -6.093 1.00 0.00 C ATOM 132 OE1 GLN A 8 12.492 0.750 -7.049 1.00 0.00 O ATOM 133 NE2 GLN A 8 14.499 0.524 -6.052 1.00 0.00 N ATOM 0 H GLN A 8 10.695 0.097 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 8 12.552 1.866 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.503 -0.145 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.882 1.103 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.269 -0.081 -3.997 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.347 -1.219 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.008 0.229 -5.219 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.006 0.899 -6.854 1.00 0.00 H new ATOM 142 N ALA A 9 9.337 2.622 -3.388 1.00 0.00 N ATOM 143 CA ALA A 9 8.398 3.721 -3.533 1.00 0.00 C ATOM 144 C ALA A 9 8.728 4.807 -2.507 1.00 0.00 C ATOM 145 O ALA A 9 8.436 5.982 -2.725 1.00 0.00 O ATOM 146 CB ALA A 9 6.969 3.195 -3.384 1.00 0.00 C ATOM 0 H ALA A 9 8.907 1.715 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 9 8.480 4.167 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.265 4.020 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.774 2.448 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.849 2.742 -2.400 1.00 0.00 H new ATOM 152 N LEU A 10 9.334 4.376 -1.410 1.00 0.00 N ATOM 153 CA LEU A 10 9.707 5.297 -0.350 1.00 0.00 C ATOM 154 C LEU A 10 11.036 5.967 -0.707 1.00 0.00 C ATOM 155 O LEU A 10 11.116 7.192 -0.784 1.00 0.00 O ATOM 156 CB LEU A 10 9.724 4.580 1.001 1.00 0.00 C ATOM 157 CG LEU A 10 8.356 4.228 1.591 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.493 3.214 2.728 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.610 5.488 2.035 1.00 0.00 C ATOM 0 H LEU A 10 9.576 3.401 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 10 8.965 6.090 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.299 3.660 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.256 5.208 1.716 1.00 0.00 H new ATOM 0 HG LEU A 10 7.759 3.757 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.506 2.982 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.955 2.302 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.116 3.635 3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.641 5.210 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.194 6.008 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.462 6.144 1.178 1.00 0.00 H new ATOM 171 N GLU A 11 12.045 5.133 -0.916 1.00 0.00 N ATOM 172 CA GLU A 11 13.365 5.630 -1.263 1.00 0.00 C ATOM 173 C GLU A 11 13.279 6.573 -2.465 1.00 0.00 C ATOM 174 O GLU A 11 13.886 7.643 -2.463 1.00 0.00 O ATOM 175 CB GLU A 11 14.330 4.475 -1.540 1.00 0.00 C ATOM 176 CG GLU A 11 14.897 3.909 -0.237 1.00 0.00 C ATOM 177 CD GLU A 11 16.294 3.323 -0.455 1.00 0.00 C ATOM 178 OE1 GLU A 11 16.357 2.160 -0.909 1.00 0.00 O ATOM 179 OE2 GLU A 11 17.266 4.052 -0.164 1.00 0.00 O ATOM 0 H GLU A 11 11.974 4.117 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 11 13.755 6.191 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.812 3.688 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.145 4.822 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.942 4.696 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.231 3.137 0.148 1.00 0.00 H new ATOM 186 N LEU A 12 12.521 6.141 -3.462 1.00 0.00 N ATOM 187 CA LEU A 12 12.347 6.934 -4.667 1.00 0.00 C ATOM 188 C LEU A 12 11.755 8.295 -4.297 1.00 0.00 C ATOM 189 O LEU A 12 12.167 9.322 -4.833 1.00 0.00 O ATOM 190 CB LEU A 12 11.522 6.164 -5.700 1.00 0.00 C ATOM 191 CG LEU A 12 11.148 6.934 -6.968 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.392 7.275 -7.790 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.111 6.166 -7.790 1.00 0.00 C ATOM 0 H LEU A 12 12.020 5.252 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 12 13.310 7.124 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.080 5.274 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.604 5.823 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 12 10.690 7.877 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.098 7.822 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.065 7.891 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.901 6.355 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.863 6.735 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.520 5.197 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.211 6.018 -7.193 1.00 0.00 H new ATOM 205 N PHE A 13 10.797 8.258 -3.382 1.00 0.00 N ATOM 206 CA PHE A 13 10.143 9.476 -2.934 1.00 0.00 C ATOM 207 C PHE A 13 11.146 10.425 -2.275 1.00 0.00 C ATOM 208 O PHE A 13 11.394 11.520 -2.779 1.00 0.00 O ATOM 209 CB PHE A 13 9.092 9.066 -1.901 1.00 0.00 C ATOM 210 CG PHE A 13 8.102 10.177 -1.545 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.289 10.695 -2.504 1.00 0.00 C ATOM 212 CD2 PHE A 13 8.036 10.645 -0.270 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.370 11.726 -2.173 1.00 0.00 C ATOM 214 CE2 PHE A 13 7.117 11.676 0.060 1.00 0.00 C ATOM 215 CZ PHE A 13 6.303 12.195 -0.899 1.00 0.00 C ATOM 0 H PHE A 13 10.458 7.404 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 13 9.697 9.993 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.538 8.208 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.598 8.740 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.342 10.323 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.682 10.233 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.724 12.138 -2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.064 12.048 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.604 12.979 -0.648 1.00 0.00 H new ATOM 225 N LYS A 14 11.695 9.972 -1.157 1.00 0.00 N ATOM 226 CA LYS A 14 12.665 10.767 -0.424 1.00 0.00 C ATOM 227 C LYS A 14 13.808 11.162 -1.361 1.00 0.00 C ATOM 228 O LYS A 14 14.468 12.178 -1.148 1.00 0.00 O ATOM 229 CB LYS A 14 13.128 10.024 0.831 1.00 0.00 C ATOM 230 CG LYS A 14 14.300 10.748 1.496 1.00 0.00 C ATOM 231 CD LYS A 14 15.081 9.803 2.410 1.00 0.00 C ATOM 232 CE LYS A 14 15.545 10.523 3.678 1.00 0.00 C ATOM 233 NZ LYS A 14 17.022 10.523 3.763 1.00 0.00 N ATOM 0 H LYS A 14 11.486 9.064 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 14 12.209 11.692 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.300 9.942 1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.425 9.009 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.964 11.151 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.929 11.594 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.455 8.952 2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.945 9.407 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.175 11.548 3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.124 10.033 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.320 11.015 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.368 9.543 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.417 11.011 2.934 1.00 0.00 H new ATOM 247 N SER A 15 14.007 10.338 -2.379 1.00 0.00 N ATOM 248 CA SER A 15 15.059 10.588 -3.350 1.00 0.00 C ATOM 249 C SER A 15 14.593 11.631 -4.369 1.00 0.00 C ATOM 250 O SER A 15 15.379 12.469 -4.807 1.00 0.00 O ATOM 251 CB SER A 15 15.470 9.298 -4.062 1.00 0.00 C ATOM 252 OG SER A 15 16.498 9.523 -5.022 1.00 0.00 O ATOM 0 H SER A 15 13.458 9.496 -2.553 1.00 0.00 H new ATOM 0 HA SER A 15 15.930 10.971 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.814 8.571 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.601 8.864 -4.556 1.00 0.00 H new ATOM 0 HG SER A 15 16.734 8.675 -5.454 1.00 0.00 H new ATOM 258 N LEU A 16 13.318 11.544 -4.716 1.00 0.00 N ATOM 259 CA LEU A 16 12.738 12.469 -5.674 1.00 0.00 C ATOM 260 C LEU A 16 12.704 13.873 -5.066 1.00 0.00 C ATOM 261 O LEU A 16 12.728 14.025 -3.846 1.00 0.00 O ATOM 262 CB LEU A 16 11.370 11.969 -6.143 1.00 0.00 C ATOM 263 CG LEU A 16 11.385 10.915 -7.252 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.966 10.449 -7.584 1.00 0.00 C ATOM 265 CD2 LEU A 16 12.123 11.431 -8.489 1.00 0.00 C ATOM 0 H LEU A 16 12.670 10.847 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 16 13.356 12.524 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.842 11.556 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.792 12.825 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 16 11.933 10.045 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.005 9.700 -8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.508 10.015 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.373 11.300 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.119 10.662 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.624 12.325 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.152 11.674 -8.224 1.00 0.00 H new ATOM 277 N PRO A 17 12.648 14.889 -5.968 1.00 0.00 N ATOM 278 CA PRO A 17 12.611 16.275 -5.533 1.00 0.00 C ATOM 279 C PRO A 17 11.231 16.640 -4.984 1.00 0.00 C ATOM 280 O PRO A 17 10.211 16.221 -5.529 1.00 0.00 O ATOM 281 CB PRO A 17 12.994 17.083 -6.762 1.00 0.00 C ATOM 282 CG PRO A 17 12.779 16.162 -7.951 1.00 0.00 C ATOM 283 CD PRO A 17 12.619 14.746 -7.421 1.00 0.00 C ATOM 0 HA PRO A 17 13.297 16.477 -4.710 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.380 17.980 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.032 17.412 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.893 16.462 -8.511 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.625 16.220 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.682 14.301 -7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.423 14.099 -7.771 1.00 0.00 H new ATOM 291 N LYS A 18 11.243 17.417 -3.910 1.00 0.00 N ATOM 292 CA LYS A 18 10.004 17.843 -3.281 1.00 0.00 C ATOM 293 C LYS A 18 8.944 18.078 -4.359 1.00 0.00 C ATOM 294 O LYS A 18 7.979 17.322 -4.461 1.00 0.00 O ATOM 295 CB LYS A 18 10.249 19.058 -2.385 1.00 0.00 C ATOM 296 CG LYS A 18 11.160 20.075 -3.076 1.00 0.00 C ATOM 297 CD LYS A 18 12.310 20.494 -2.158 1.00 0.00 C ATOM 298 CE LYS A 18 13.439 21.147 -2.958 1.00 0.00 C ATOM 299 NZ LYS A 18 13.492 22.601 -2.687 1.00 0.00 N ATOM 0 H LYS A 18 12.091 17.762 -3.460 1.00 0.00 H new ATOM 0 HA LYS A 18 9.623 17.062 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.298 19.528 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.702 18.737 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.561 19.645 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.580 20.953 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.943 21.191 -1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.693 19.622 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.392 20.687 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.285 20.975 -4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.264 23.029 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.588 23.038 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.661 22.759 -1.673 1.00 0.00 H new ATOM 313 N GLU A 19 9.159 19.130 -5.136 1.00 0.00 N ATOM 314 CA GLU A 19 8.234 19.474 -6.203 1.00 0.00 C ATOM 315 C GLU A 19 7.612 18.208 -6.795 1.00 0.00 C ATOM 316 O GLU A 19 6.391 18.066 -6.821 1.00 0.00 O ATOM 317 CB GLU A 19 8.930 20.302 -7.286 1.00 0.00 C ATOM 318 CG GLU A 19 10.299 19.713 -7.631 1.00 0.00 C ATOM 319 CD GLU A 19 11.370 20.804 -7.678 1.00 0.00 C ATOM 320 OE1 GLU A 19 11.238 21.691 -8.549 1.00 0.00 O ATOM 321 OE2 GLU A 19 12.295 20.727 -6.841 1.00 0.00 O ATOM 0 H GLU A 19 9.960 19.755 -5.048 1.00 0.00 H new ATOM 0 HA GLU A 19 7.435 20.085 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.308 20.334 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.048 21.330 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.573 18.962 -6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.248 19.207 -8.595 1.00 0.00 H new ATOM 328 N LEU A 20 8.481 17.320 -7.255 1.00 0.00 N ATOM 329 CA LEU A 20 8.032 16.070 -7.845 1.00 0.00 C ATOM 330 C LEU A 20 7.261 15.264 -6.798 1.00 0.00 C ATOM 331 O LEU A 20 6.124 14.859 -7.035 1.00 0.00 O ATOM 332 CB LEU A 20 9.212 15.313 -8.458 1.00 0.00 C ATOM 333 CG LEU A 20 9.604 15.719 -9.880 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.728 14.829 -10.414 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.386 15.722 -10.805 1.00 0.00 C ATOM 0 H LEU A 20 9.494 17.441 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 20 7.344 16.263 -8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.079 15.447 -7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.975 14.249 -8.458 1.00 0.00 H new ATOM 0 HG LEU A 20 9.988 16.739 -9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.988 15.139 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.603 14.922 -9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.396 13.791 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.693 16.014 -11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.949 14.724 -10.835 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.647 16.430 -10.431 1.00 0.00 H new ATOM 347 N ARG A 21 7.910 15.057 -5.662 1.00 0.00 N ATOM 348 CA ARG A 21 7.300 14.307 -4.577 1.00 0.00 C ATOM 349 C ARG A 21 5.812 14.647 -4.468 1.00 0.00 C ATOM 350 O ARG A 21 4.971 13.753 -4.383 1.00 0.00 O ATOM 351 CB ARG A 21 7.985 14.611 -3.243 1.00 0.00 C ATOM 352 CG ARG A 21 9.435 14.123 -3.248 1.00 0.00 C ATOM 353 CD ARG A 21 10.110 14.399 -1.903 1.00 0.00 C ATOM 354 NE ARG A 21 11.351 15.179 -2.111 1.00 0.00 N ATOM 355 CZ ARG A 21 11.917 15.953 -1.175 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.357 16.056 0.038 1.00 0.00 N ATOM 357 NH2 ARG A 21 13.042 16.626 -1.452 1.00 0.00 N ATOM 0 H ARG A 21 8.853 15.396 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 21 7.419 13.247 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.959 15.684 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.438 14.130 -2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.462 13.054 -3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.987 14.620 -4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.430 14.948 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.341 13.459 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 21 11.803 15.124 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.500 15.545 0.249 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.788 16.645 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.468 16.549 -2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.473 17.215 -0.739 1.00 0.00 H new ATOM 371 N SER A 22 5.532 15.943 -4.474 1.00 0.00 N ATOM 372 CA SER A 22 4.161 16.412 -4.377 1.00 0.00 C ATOM 373 C SER A 22 3.269 15.628 -5.341 1.00 0.00 C ATOM 374 O SER A 22 2.187 15.178 -4.966 1.00 0.00 O ATOM 375 CB SER A 22 4.070 17.911 -4.670 1.00 0.00 C ATOM 376 OG SER A 22 2.959 18.517 -4.014 1.00 0.00 O ATOM 0 H SER A 22 6.232 16.682 -4.545 1.00 0.00 H new ATOM 0 HA SER A 22 3.815 16.246 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.990 18.399 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.984 18.066 -5.746 1.00 0.00 H new ATOM 0 HG SER A 22 2.937 19.474 -4.225 1.00 0.00 H new ATOM 382 N GLN A 23 3.756 15.487 -6.566 1.00 0.00 N ATOM 383 CA GLN A 23 3.017 14.765 -7.587 1.00 0.00 C ATOM 384 C GLN A 23 2.911 13.284 -7.218 1.00 0.00 C ATOM 385 O GLN A 23 1.825 12.708 -7.248 1.00 0.00 O ATOM 386 CB GLN A 23 3.664 14.943 -8.962 1.00 0.00 C ATOM 387 CG GLN A 23 3.965 16.417 -9.239 1.00 0.00 C ATOM 388 CD GLN A 23 2.964 17.003 -10.237 1.00 0.00 C ATOM 389 OE1 GLN A 23 1.839 17.336 -9.903 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.434 17.109 -11.476 1.00 0.00 N ATOM 0 H GLN A 23 4.654 15.861 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 23 2.010 15.179 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.586 14.364 -9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.001 14.552 -9.734 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.927 16.981 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.977 16.518 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.386 16.811 -11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.842 17.488 -12.215 1.00 0.00 H new ATOM 399 N VAL A 24 4.056 12.708 -6.878 1.00 0.00 N ATOM 400 CA VAL A 24 4.106 11.305 -6.504 1.00 0.00 C ATOM 401 C VAL A 24 2.893 10.971 -5.633 1.00 0.00 C ATOM 402 O VAL A 24 2.029 10.194 -6.038 1.00 0.00 O ATOM 403 CB VAL A 24 5.438 10.994 -5.819 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.357 9.684 -5.032 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.581 10.953 -6.835 1.00 0.00 C ATOM 0 H VAL A 24 4.956 13.188 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 24 4.055 10.671 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 24 5.647 11.797 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.317 9.486 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.582 9.765 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.114 8.866 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.516 10.730 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.381 10.180 -7.577 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.661 11.920 -7.332 1.00 0.00 H new ATOM 415 N LEU A 25 2.867 11.573 -4.453 1.00 0.00 N ATOM 416 CA LEU A 25 1.775 11.349 -3.522 1.00 0.00 C ATOM 417 C LEU A 25 0.457 11.281 -4.296 1.00 0.00 C ATOM 418 O LEU A 25 -0.311 10.333 -4.139 1.00 0.00 O ATOM 419 CB LEU A 25 1.786 12.408 -2.418 1.00 0.00 C ATOM 420 CG LEU A 25 3.045 12.460 -1.551 1.00 0.00 C ATOM 421 CD1 LEU A 25 2.884 13.465 -0.409 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.417 11.067 -1.039 1.00 0.00 C ATOM 0 H LEU A 25 3.585 12.216 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 25 1.897 10.392 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.645 13.386 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.928 12.236 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 25 3.871 12.807 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.793 13.482 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.703 14.458 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.041 13.172 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.316 11.133 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.598 10.668 -0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.603 10.406 -1.885 1.00 0.00 H new ATOM 434 N LEU A 26 0.235 12.298 -5.115 1.00 0.00 N ATOM 435 CA LEU A 26 -0.977 12.366 -5.914 1.00 0.00 C ATOM 436 C LEU A 26 -1.072 11.118 -6.794 1.00 0.00 C ATOM 437 O LEU A 26 -2.053 10.378 -6.725 1.00 0.00 O ATOM 438 CB LEU A 26 -1.029 13.678 -6.699 1.00 0.00 C ATOM 439 CG LEU A 26 -1.779 14.831 -6.028 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.213 14.425 -5.683 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.017 15.342 -4.804 1.00 0.00 C ATOM 0 H LEU A 26 0.874 13.082 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.857 12.372 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.007 14.001 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.493 13.482 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.840 15.657 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.724 15.262 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.742 14.148 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.196 13.575 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.572 16.161 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.903 14.533 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.033 15.697 -5.110 1.00 0.00 H new ATOM 453 N GLU A 27 -0.041 10.923 -7.603 1.00 0.00 N ATOM 454 CA GLU A 27 0.004 9.778 -8.496 1.00 0.00 C ATOM 455 C GLU A 27 -0.575 8.542 -7.804 1.00 0.00 C ATOM 456 O GLU A 27 -1.558 7.969 -8.270 1.00 0.00 O ATOM 457 CB GLU A 27 1.431 9.516 -8.981 1.00 0.00 C ATOM 458 CG GLU A 27 1.999 10.742 -9.699 1.00 0.00 C ATOM 459 CD GLU A 27 2.448 10.386 -11.118 1.00 0.00 C ATOM 460 OE1 GLU A 27 3.444 9.638 -11.228 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.786 10.870 -12.061 1.00 0.00 O ATOM 0 H GLU A 27 0.770 11.539 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.607 10.001 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.066 9.260 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.439 8.659 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.244 11.527 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.843 11.140 -9.135 1.00 0.00 H new ATOM 468 N TYR A 28 0.060 8.168 -6.703 1.00 0.00 N ATOM 469 CA TYR A 28 -0.380 7.011 -5.942 1.00 0.00 C ATOM 470 C TYR A 28 -1.888 7.064 -5.686 1.00 0.00 C ATOM 471 O TYR A 28 -2.590 6.075 -5.888 1.00 0.00 O ATOM 472 CB TYR A 28 0.356 7.082 -4.602 1.00 0.00 C ATOM 473 CG TYR A 28 1.834 6.696 -4.683 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.375 6.285 -5.884 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.626 6.760 -3.555 1.00 0.00 C ATOM 476 CE1 TYR A 28 3.767 5.921 -5.960 1.00 0.00 C ATOM 477 CE2 TYR A 28 4.018 6.397 -3.631 1.00 0.00 C ATOM 478 CZ TYR A 28 4.519 5.996 -4.829 1.00 0.00 C ATOM 479 OH TYR A 28 5.833 5.653 -4.901 1.00 0.00 O ATOM 0 H TYR A 28 0.876 8.646 -6.320 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.169 6.091 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.277 8.096 -4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.142 6.424 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.755 6.236 -6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.202 7.082 -2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.203 5.596 -6.893 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.649 6.442 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 28 6.342 6.168 -4.240 1.00 0.00 H new ATOM 489 N ALA A 29 -2.340 8.228 -5.244 1.00 0.00 N ATOM 490 CA ALA A 29 -3.751 8.423 -4.958 1.00 0.00 C ATOM 491 C ALA A 29 -4.562 8.197 -6.235 1.00 0.00 C ATOM 492 O ALA A 29 -5.775 8.003 -6.179 1.00 0.00 O ATOM 493 CB ALA A 29 -3.965 9.819 -4.370 1.00 0.00 C ATOM 0 H ALA A 29 -1.754 9.046 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.096 7.701 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.024 9.965 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.391 9.918 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.633 10.570 -5.086 1.00 0.00 H new ATOM 499 N ALA A 30 -3.859 8.230 -7.358 1.00 0.00 N ATOM 500 CA ALA A 30 -4.498 8.032 -8.648 1.00 0.00 C ATOM 501 C ALA A 30 -4.411 6.554 -9.033 1.00 0.00 C ATOM 502 O ALA A 30 -5.214 6.067 -9.828 1.00 0.00 O ATOM 503 CB ALA A 30 -3.845 8.945 -9.687 1.00 0.00 C ATOM 0 H ALA A 30 -2.853 8.391 -7.401 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.554 8.298 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.324 8.796 -10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.960 9.985 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.785 8.705 -9.767 1.00 0.00 H new ATOM 509 N LYS A 31 -3.429 5.880 -8.452 1.00 0.00 N ATOM 510 CA LYS A 31 -3.226 4.468 -8.725 1.00 0.00 C ATOM 511 C LYS A 31 -3.887 3.640 -7.622 1.00 0.00 C ATOM 512 O LYS A 31 -3.326 2.645 -7.166 1.00 0.00 O ATOM 513 CB LYS A 31 -1.738 4.166 -8.913 1.00 0.00 C ATOM 514 CG LYS A 31 -1.214 4.776 -10.214 1.00 0.00 C ATOM 515 CD LYS A 31 -0.344 6.003 -9.934 1.00 0.00 C ATOM 516 CE LYS A 31 1.097 5.769 -10.391 1.00 0.00 C ATOM 517 NZ LYS A 31 1.148 5.555 -11.855 1.00 0.00 N ATOM 0 H LYS A 31 -2.765 6.286 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.704 4.189 -9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.174 4.562 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.581 3.087 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.634 4.032 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.052 5.058 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.756 6.871 -10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.359 6.228 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.714 6.626 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.512 4.903 -9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.078 5.847 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.996 4.548 -12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.405 6.120 -12.314 1.00 0.00 H new ATOM 531 N VAL A 32 -5.072 4.081 -7.224 1.00 0.00 N ATOM 532 CA VAL A 32 -5.815 3.393 -6.182 1.00 0.00 C ATOM 533 C VAL A 32 -7.216 3.057 -6.698 1.00 0.00 C ATOM 534 O VAL A 32 -8.140 3.856 -6.561 1.00 0.00 O ATOM 535 CB VAL A 32 -5.835 4.239 -4.907 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.601 3.529 -3.790 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.415 4.591 -4.461 1.00 0.00 C ATOM 0 H VAL A 32 -5.535 4.906 -7.605 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.329 2.452 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.356 5.170 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.600 4.152 -2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.628 3.353 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.121 2.576 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.457 5.192 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.858 3.675 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.916 5.157 -5.248 1.00 0.00 H new ATOM 547 N PRO A 33 -7.331 1.841 -7.297 1.00 0.00 N ATOM 548 CA PRO A 33 -8.603 1.389 -7.834 1.00 0.00 C ATOM 549 C PRO A 33 -9.553 0.966 -6.712 1.00 0.00 C ATOM 550 O PRO A 33 -9.111 0.615 -5.619 1.00 0.00 O ATOM 551 CB PRO A 33 -8.250 0.249 -8.775 1.00 0.00 C ATOM 552 CG PRO A 33 -6.853 -0.200 -8.380 1.00 0.00 C ATOM 553 CD PRO A 33 -6.258 0.868 -7.477 1.00 0.00 C ATOM 0 HA PRO A 33 -9.138 2.176 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.964 -0.569 -8.682 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.275 0.578 -9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.892 -1.159 -7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.233 -0.340 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.940 0.448 -6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.380 1.327 -7.931 1.00 0.00 H new ATOM 561 N PRO A 34 -10.875 1.013 -7.029 1.00 0.00 N ATOM 562 CA PRO A 34 -11.891 0.638 -6.061 1.00 0.00 C ATOM 563 C PRO A 34 -11.951 -0.881 -5.889 1.00 0.00 C ATOM 564 O PRO A 34 -11.588 -1.627 -6.797 1.00 0.00 O ATOM 565 CB PRO A 34 -13.184 1.227 -6.600 1.00 0.00 C ATOM 566 CG PRO A 34 -12.933 1.507 -8.073 1.00 0.00 C ATOM 567 CD PRO A 34 -11.435 1.423 -8.314 1.00 0.00 C ATOM 0 HA PRO A 34 -11.681 1.020 -5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.014 0.532 -6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.448 2.141 -6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.461 0.784 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.309 2.494 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.200 0.702 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.031 2.384 -8.634 1.00 0.00 H new ATOM 575 N PRO A 35 -12.425 -1.305 -4.687 1.00 0.00 N ATOM 576 CA PRO A 35 -12.537 -2.722 -4.384 1.00 0.00 C ATOM 577 C PRO A 35 -13.730 -3.345 -5.112 1.00 0.00 C ATOM 578 O PRO A 35 -14.557 -2.632 -5.679 1.00 0.00 O ATOM 579 CB PRO A 35 -12.662 -2.792 -2.871 1.00 0.00 C ATOM 580 CG PRO A 35 -13.082 -1.401 -2.422 1.00 0.00 C ATOM 581 CD PRO A 35 -12.864 -0.450 -3.587 1.00 0.00 C ATOM 0 HA PRO A 35 -11.675 -3.295 -4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.400 -3.537 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.716 -3.081 -2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.129 -1.398 -2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.497 -1.086 -1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.781 0.082 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.114 0.304 -3.348 1.00 0.00 H new ATOM 589 N PRO A 36 -13.781 -4.703 -5.073 1.00 0.00 N ATOM 590 CA PRO A 36 -14.859 -5.430 -5.722 1.00 0.00 C ATOM 591 C PRO A 36 -16.156 -5.323 -4.917 1.00 0.00 C ATOM 592 O PRO A 36 -16.129 -5.010 -3.728 1.00 0.00 O ATOM 593 CB PRO A 36 -14.352 -6.858 -5.844 1.00 0.00 C ATOM 594 CG PRO A 36 -13.210 -6.982 -4.848 1.00 0.00 C ATOM 595 CD PRO A 36 -12.819 -5.579 -4.411 1.00 0.00 C ATOM 0 HA PRO A 36 -15.109 -5.024 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.143 -7.574 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.010 -7.066 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.516 -7.578 -3.988 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.360 -7.491 -5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.868 -5.474 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.798 -5.342 -4.708 1.00 0.00 H new ATOM 603 N PRO A 37 -17.290 -5.595 -5.616 1.00 0.00 N ATOM 604 CA PRO A 37 -18.595 -5.532 -4.980 1.00 0.00 C ATOM 605 C PRO A 37 -18.821 -6.743 -4.073 1.00 0.00 C ATOM 606 O PRO A 37 -18.916 -7.873 -4.551 1.00 0.00 O ATOM 607 CB PRO A 37 -19.589 -5.455 -6.127 1.00 0.00 C ATOM 608 CG PRO A 37 -18.844 -5.944 -7.358 1.00 0.00 C ATOM 609 CD PRO A 37 -17.361 -5.969 -7.026 1.00 0.00 C ATOM 0 HA PRO A 37 -18.701 -4.670 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -20.464 -6.074 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.946 -4.435 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -19.188 -6.938 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -19.034 -5.286 -8.206 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.934 -6.957 -7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.804 -5.270 -7.650 1.00 0.00 H new ATOM 617 N GLY A 38 -18.902 -6.467 -2.779 1.00 0.00 N ATOM 618 CA GLY A 38 -19.116 -7.520 -1.801 1.00 0.00 C ATOM 619 C GLY A 38 -18.099 -7.425 -0.662 1.00 0.00 C ATOM 620 O GLY A 38 -18.475 -7.291 0.502 1.00 0.00 O ATOM 0 H GLY A 38 -18.823 -5.529 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.126 -7.447 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.035 -8.493 -2.285 1.00 0.00 H new ATOM 624 N VAL A 39 -16.830 -7.497 -1.036 1.00 0.00 N ATOM 625 CA VAL A 39 -15.756 -7.421 -0.060 1.00 0.00 C ATOM 626 C VAL A 39 -16.080 -6.331 0.963 1.00 0.00 C ATOM 627 O VAL A 39 -16.548 -5.253 0.601 1.00 0.00 O ATOM 628 CB VAL A 39 -14.419 -7.196 -0.770 1.00 0.00 C ATOM 629 CG1 VAL A 39 -14.422 -5.873 -1.538 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.256 -7.252 0.222 1.00 0.00 C ATOM 0 H VAL A 39 -16.521 -7.607 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.666 -8.361 0.484 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.283 -8.001 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.460 -5.738 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -15.216 -5.888 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -14.592 -5.050 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.318 -7.089 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.385 -6.477 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.236 -8.229 0.704 1.00 0.00 H new ATOM 640 N GLU A 40 -15.818 -6.650 2.222 1.00 0.00 N ATOM 641 CA GLU A 40 -16.076 -5.712 3.301 1.00 0.00 C ATOM 642 C GLU A 40 -14.798 -4.949 3.658 1.00 0.00 C ATOM 643 O GLU A 40 -13.724 -5.541 3.754 1.00 0.00 O ATOM 644 CB GLU A 40 -16.647 -6.428 4.527 1.00 0.00 C ATOM 645 CG GLU A 40 -16.781 -5.468 5.710 1.00 0.00 C ATOM 646 CD GLU A 40 -18.028 -5.787 6.537 1.00 0.00 C ATOM 647 OE1 GLU A 40 -17.970 -6.781 7.292 1.00 0.00 O ATOM 648 OE2 GLU A 40 -19.012 -5.030 6.394 1.00 0.00 O ATOM 0 H GLU A 40 -15.430 -7.545 2.519 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.822 -4.994 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.622 -6.850 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.999 -7.260 4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.895 -5.537 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.834 -4.442 5.346 1.00 0.00 H new ATOM 655 N LEU A 41 -14.957 -3.647 3.845 1.00 0.00 N ATOM 656 CA LEU A 41 -13.829 -2.798 4.190 1.00 0.00 C ATOM 657 C LEU A 41 -14.079 -2.154 5.555 1.00 0.00 C ATOM 658 O LEU A 41 -15.199 -1.742 5.856 1.00 0.00 O ATOM 659 CB LEU A 41 -13.560 -1.786 3.074 1.00 0.00 C ATOM 660 CG LEU A 41 -13.244 -2.375 1.697 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.187 -1.814 0.631 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.774 -2.158 1.333 1.00 0.00 C ATOM 0 H LEU A 41 -15.849 -3.159 3.764 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.919 -3.391 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.432 -1.139 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.725 -1.154 3.377 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.410 -3.451 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.941 -2.249 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.217 -2.062 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.076 -0.731 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.576 -2.586 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.558 -1.090 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.140 -2.644 2.075 1.00 0.00 H new ATOM 674 N GLU A 42 -13.018 -2.089 6.346 1.00 0.00 N ATOM 675 CA GLU A 42 -13.108 -1.503 7.672 1.00 0.00 C ATOM 676 C GLU A 42 -12.810 -0.003 7.612 1.00 0.00 C ATOM 677 O GLU A 42 -11.792 0.409 7.059 1.00 0.00 O ATOM 678 CB GLU A 42 -12.167 -2.210 8.649 1.00 0.00 C ATOM 679 CG GLU A 42 -12.900 -2.594 9.936 1.00 0.00 C ATOM 680 CD GLU A 42 -12.425 -3.954 10.452 1.00 0.00 C ATOM 681 OE1 GLU A 42 -11.263 -4.302 10.149 1.00 0.00 O ATOM 682 OE2 GLU A 42 -13.234 -4.614 11.139 1.00 0.00 O ATOM 0 H GLU A 42 -12.091 -2.433 6.094 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.126 -1.637 8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.755 -3.104 8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.326 -1.558 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.730 -1.832 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.974 -2.626 9.752 1.00 0.00 H new ATOM 689 N ARG A 43 -13.717 0.772 8.188 1.00 0.00 N ATOM 690 CA ARG A 43 -13.564 2.216 8.206 1.00 0.00 C ATOM 691 C ARG A 43 -12.430 2.618 9.152 1.00 0.00 C ATOM 692 O ARG A 43 -12.437 2.251 10.326 1.00 0.00 O ATOM 693 CB ARG A 43 -14.858 2.902 8.652 1.00 0.00 C ATOM 694 CG ARG A 43 -14.607 4.369 9.007 1.00 0.00 C ATOM 695 CD ARG A 43 -15.623 5.281 8.317 1.00 0.00 C ATOM 696 NE ARG A 43 -16.987 4.980 8.807 1.00 0.00 N ATOM 697 CZ ARG A 43 -18.032 5.809 8.677 1.00 0.00 C ATOM 698 NH1 ARG A 43 -17.875 6.995 8.072 1.00 0.00 N ATOM 699 NH2 ARG A 43 -19.233 5.453 9.151 1.00 0.00 N ATOM 0 H ARG A 43 -14.561 0.427 8.646 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.327 2.537 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.600 2.839 7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.271 2.381 9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.669 4.501 10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.597 4.652 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.379 6.325 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.576 5.140 7.237 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.141 4.086 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.960 7.266 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.670 7.626 7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.353 4.551 9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.028 6.084 9.052 1.00 0.00 H new ATOM 713 N VAL A 44 -11.484 3.366 8.604 1.00 0.00 N ATOM 714 CA VAL A 44 -10.345 3.822 9.384 1.00 0.00 C ATOM 715 C VAL A 44 -10.789 4.955 10.312 1.00 0.00 C ATOM 716 O VAL A 44 -10.749 6.124 9.933 1.00 0.00 O ATOM 717 CB VAL A 44 -9.201 4.225 8.453 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.082 4.923 9.230 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.664 3.014 7.687 1.00 0.00 C ATOM 0 H VAL A 44 -11.482 3.668 7.630 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.965 3.017 10.013 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.596 4.933 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.281 5.199 8.545 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.476 5.820 9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.692 4.248 9.991 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.851 3.329 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.294 2.271 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.464 2.578 7.089 1.00 0.00 H new ATOM 729 N HIS A 45 -11.202 4.568 11.510 1.00 0.00 N ATOM 730 CA HIS A 45 -11.652 5.537 12.495 1.00 0.00 C ATOM 731 C HIS A 45 -10.484 6.438 12.901 1.00 0.00 C ATOM 732 O HIS A 45 -10.642 7.652 13.014 1.00 0.00 O ATOM 733 CB HIS A 45 -12.302 4.835 13.689 1.00 0.00 C ATOM 734 CG HIS A 45 -13.678 4.282 13.403 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.584 4.918 12.572 1.00 0.00 N ATOM 736 CD2 HIS A 45 -14.291 3.146 13.843 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.689 4.190 12.523 1.00 0.00 C ATOM 738 NE2 HIS A 45 -15.506 3.092 13.312 1.00 0.00 N ATOM 0 H HIS A 45 -11.234 3.597 11.821 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.421 6.174 12.058 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -11.655 4.020 14.015 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.370 5.539 14.518 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -13.861 2.414 14.511 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.579 4.424 11.958 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -16.190 2.352 13.468 1.00 0.00 H new ATOM 746 N GLU A 46 -9.337 5.808 13.108 1.00 0.00 N ATOM 747 CA GLU A 46 -8.143 6.537 13.499 1.00 0.00 C ATOM 748 C GLU A 46 -8.074 7.877 12.762 1.00 0.00 C ATOM 749 O GLU A 46 -7.531 8.849 13.284 1.00 0.00 O ATOM 750 CB GLU A 46 -6.884 5.706 13.242 1.00 0.00 C ATOM 751 CG GLU A 46 -6.358 5.093 14.542 1.00 0.00 C ATOM 752 CD GLU A 46 -5.990 6.182 15.552 1.00 0.00 C ATOM 753 OE1 GLU A 46 -5.264 7.113 15.144 1.00 0.00 O ATOM 754 OE2 GLU A 46 -6.444 6.058 16.710 1.00 0.00 O ATOM 0 H GLU A 46 -9.209 4.801 13.012 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.196 6.735 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.106 4.915 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.114 6.334 12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.114 4.435 14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.484 4.478 14.330 1.00 0.00 H new ATOM 761 N CYS A 47 -8.633 7.884 11.561 1.00 0.00 N ATOM 762 CA CYS A 47 -8.642 9.088 10.747 1.00 0.00 C ATOM 763 C CYS A 47 -10.057 9.670 10.766 1.00 0.00 C ATOM 764 O CYS A 47 -11.024 8.952 11.013 1.00 0.00 O ATOM 765 CB CYS A 47 -8.158 8.812 9.322 1.00 0.00 C ATOM 766 SG CYS A 47 -7.210 10.246 8.694 1.00 0.00 S ATOM 0 H CYS A 47 -9.083 7.075 11.132 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.945 9.816 11.162 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.534 7.919 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.010 8.616 8.671 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.802 10.000 7.484 1.00 0.00 H new ATOM 772 N GLN A 48 -10.133 10.967 10.504 1.00 0.00 N ATOM 773 CA GLN A 48 -11.413 11.653 10.488 1.00 0.00 C ATOM 774 C GLN A 48 -11.956 11.731 9.059 1.00 0.00 C ATOM 775 O GLN A 48 -12.397 12.790 8.615 1.00 0.00 O ATOM 776 CB GLN A 48 -11.295 13.048 11.106 1.00 0.00 C ATOM 777 CG GLN A 48 -10.456 13.012 12.384 1.00 0.00 C ATOM 778 CD GLN A 48 -10.415 14.388 13.052 1.00 0.00 C ATOM 779 OE1 GLN A 48 -11.041 15.338 12.614 1.00 0.00 O ATOM 780 NE2 GLN A 48 -9.644 14.441 14.135 1.00 0.00 N ATOM 0 H GLN A 48 -9.328 11.560 10.301 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.117 11.081 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.841 13.731 10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.289 13.436 11.330 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.872 12.280 13.076 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.442 12.688 12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.147 13.607 14.448 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.550 15.315 14.652 1.00 0.00 H new ATOM 789 N THR A 49 -11.907 10.595 8.379 1.00 0.00 N ATOM 790 CA THR A 49 -12.388 10.521 7.010 1.00 0.00 C ATOM 791 C THR A 49 -12.950 9.128 6.717 1.00 0.00 C ATOM 792 O THR A 49 -12.539 8.147 7.333 1.00 0.00 O ATOM 793 CB THR A 49 -11.239 10.919 6.082 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.198 10.002 6.405 1.00 0.00 O ATOM 795 CG2 THR A 49 -10.651 12.288 6.433 1.00 0.00 C ATOM 0 H THR A 49 -11.542 9.718 8.751 1.00 0.00 H new ATOM 0 HA THR A 49 -13.214 11.213 6.844 1.00 0.00 H new ATOM 0 HB THR A 49 -11.592 10.928 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.367 10.283 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.839 12.523 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.427 13.049 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.267 12.268 7.453 1.00 0.00 H new ATOM 803 N PRO A 50 -13.907 9.086 5.752 1.00 0.00 N ATOM 804 CA PRO A 50 -14.530 7.831 5.369 1.00 0.00 C ATOM 805 C PRO A 50 -13.582 6.986 4.516 1.00 0.00 C ATOM 806 O PRO A 50 -13.898 6.654 3.374 1.00 0.00 O ATOM 807 CB PRO A 50 -15.798 8.229 4.632 1.00 0.00 C ATOM 808 CG PRO A 50 -15.604 9.680 4.223 1.00 0.00 C ATOM 809 CD PRO A 50 -14.419 10.229 5.001 1.00 0.00 C ATOM 0 HA PRO A 50 -14.766 7.200 6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.958 7.595 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.673 8.117 5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.424 9.753 3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.502 10.260 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.660 10.635 4.332 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.722 11.037 5.667 1.00 0.00 H new ATOM 817 N PHE A 51 -12.439 6.662 5.102 1.00 0.00 N ATOM 818 CA PHE A 51 -11.443 5.862 4.409 1.00 0.00 C ATOM 819 C PHE A 51 -11.470 4.411 4.896 1.00 0.00 C ATOM 820 O PHE A 51 -11.062 4.122 6.020 1.00 0.00 O ATOM 821 CB PHE A 51 -10.077 6.470 4.732 1.00 0.00 C ATOM 822 CG PHE A 51 -8.894 5.672 4.182 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.959 5.133 2.935 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.778 5.500 4.939 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.861 4.392 2.423 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.680 4.759 4.428 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.744 4.220 3.181 1.00 0.00 C ATOM 0 H PHE A 51 -12.180 6.939 6.049 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.645 5.862 3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -10.037 7.482 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.974 6.553 5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.846 5.269 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.727 5.927 5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.912 3.965 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.794 4.623 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.909 3.656 2.793 1.00 0.00 H new ATOM 837 N PHE A 52 -11.954 3.538 4.025 1.00 0.00 N ATOM 838 CA PHE A 52 -12.039 2.124 4.352 1.00 0.00 C ATOM 839 C PHE A 52 -10.905 1.339 3.690 1.00 0.00 C ATOM 840 O PHE A 52 -10.325 1.792 2.705 1.00 0.00 O ATOM 841 CB PHE A 52 -13.378 1.620 3.809 1.00 0.00 C ATOM 842 CG PHE A 52 -14.516 2.637 3.914 1.00 0.00 C ATOM 843 CD1 PHE A 52 -15.172 2.802 5.094 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.870 3.376 2.829 1.00 0.00 C ATOM 845 CE1 PHE A 52 -16.229 3.747 5.192 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.926 4.320 2.927 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.583 4.485 4.106 1.00 0.00 C ATOM 0 H PHE A 52 -12.291 3.782 3.094 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.959 1.985 5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.251 1.339 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.661 0.717 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.890 2.215 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.348 3.245 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.751 3.879 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -16.207 4.907 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 52 -17.387 5.203 4.180 1.00 0.00 H new ATOM 857 N VAL A 53 -10.623 0.176 4.259 1.00 0.00 N ATOM 858 CA VAL A 53 -9.569 -0.676 3.736 1.00 0.00 C ATOM 859 C VAL A 53 -9.858 -2.129 4.116 1.00 0.00 C ATOM 860 O VAL A 53 -10.564 -2.392 5.089 1.00 0.00 O ATOM 861 CB VAL A 53 -8.207 -0.188 4.234 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.859 1.175 3.632 1.00 0.00 C ATOM 863 CG2 VAL A 53 -8.167 -0.139 5.762 1.00 0.00 C ATOM 0 H VAL A 53 -11.106 -0.196 5.077 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.541 -0.624 2.648 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.454 -0.903 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.886 1.499 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.825 1.095 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.617 1.904 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.188 0.211 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.936 0.543 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.348 -1.136 6.163 1.00 0.00 H new ATOM 873 N HIS A 54 -9.299 -3.036 3.329 1.00 0.00 N ATOM 874 CA HIS A 54 -9.488 -4.456 3.570 1.00 0.00 C ATOM 875 C HIS A 54 -8.218 -5.217 3.185 1.00 0.00 C ATOM 876 O HIS A 54 -7.848 -5.261 2.012 1.00 0.00 O ATOM 877 CB HIS A 54 -10.731 -4.971 2.841 1.00 0.00 C ATOM 878 CG HIS A 54 -11.014 -6.437 3.068 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.588 -6.918 4.231 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.796 -7.520 2.268 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.705 -8.234 4.126 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.213 -8.605 2.909 1.00 0.00 N ATOM 0 H HIS A 54 -8.714 -2.815 2.523 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.664 -4.627 4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.595 -4.391 3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.611 -4.796 1.772 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.358 -7.498 1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.117 -8.896 4.873 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.172 -9.559 2.551 1.00 0.00 H new ATOM 890 N ALA A 55 -7.584 -5.796 4.194 1.00 0.00 N ATOM 891 CA ALA A 55 -6.363 -6.552 3.975 1.00 0.00 C ATOM 892 C ALA A 55 -6.688 -8.047 3.969 1.00 0.00 C ATOM 893 O ALA A 55 -7.453 -8.523 4.806 1.00 0.00 O ATOM 894 CB ALA A 55 -5.335 -6.183 5.047 1.00 0.00 C ATOM 0 H ALA A 55 -7.893 -5.757 5.165 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.927 -6.306 3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.419 -6.750 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.117 -5.117 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.736 -6.419 6.033 1.00 0.00 H new ATOM 900 N ASP A 56 -6.090 -8.746 3.015 1.00 0.00 N ATOM 901 CA ASP A 56 -6.306 -10.177 2.889 1.00 0.00 C ATOM 902 C ASP A 56 -5.228 -10.774 1.982 1.00 0.00 C ATOM 903 O ASP A 56 -4.489 -10.042 1.326 1.00 0.00 O ATOM 904 CB ASP A 56 -7.669 -10.475 2.262 1.00 0.00 C ATOM 905 CG ASP A 56 -8.797 -10.739 3.261 1.00 0.00 C ATOM 906 OD1 ASP A 56 -8.486 -10.778 4.471 1.00 0.00 O ATOM 907 OD2 ASP A 56 -9.946 -10.896 2.792 1.00 0.00 O ATOM 0 H ASP A 56 -5.456 -8.348 2.322 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.265 -10.613 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.953 -9.633 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.570 -11.343 1.611 1.00 0.00 H new ATOM 912 N VAL A 57 -5.172 -12.098 1.975 1.00 0.00 N ATOM 913 CA VAL A 57 -4.196 -12.801 1.160 1.00 0.00 C ATOM 914 C VAL A 57 -4.880 -13.969 0.447 1.00 0.00 C ATOM 915 O VAL A 57 -5.517 -14.805 1.088 1.00 0.00 O ATOM 916 CB VAL A 57 -3.011 -13.238 2.022 1.00 0.00 C ATOM 917 CG1 VAL A 57 -3.476 -13.668 3.415 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.218 -14.355 1.340 1.00 0.00 C ATOM 0 H VAL A 57 -5.787 -12.702 2.521 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.795 -12.141 0.391 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.348 -12.381 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.614 -13.974 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.976 -12.833 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.170 -14.504 3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.381 -14.647 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.867 -15.215 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.840 -14.000 0.381 1.00 0.00 H new ATOM 928 N GLU A 58 -4.726 -13.991 -0.869 1.00 0.00 N ATOM 929 CA GLU A 58 -5.321 -15.043 -1.675 1.00 0.00 C ATOM 930 C GLU A 58 -4.239 -15.783 -2.464 1.00 0.00 C ATOM 931 O GLU A 58 -3.768 -15.292 -3.489 1.00 0.00 O ATOM 932 CB GLU A 58 -6.392 -14.478 -2.610 1.00 0.00 C ATOM 933 CG GLU A 58 -7.780 -14.999 -2.232 1.00 0.00 C ATOM 934 CD GLU A 58 -8.123 -16.266 -3.019 1.00 0.00 C ATOM 935 OE1 GLU A 58 -8.246 -16.149 -4.257 1.00 0.00 O ATOM 936 OE2 GLU A 58 -8.253 -17.323 -2.364 1.00 0.00 O ATOM 0 H GLU A 58 -4.197 -13.297 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.807 -15.755 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.383 -13.389 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.164 -14.754 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.815 -15.210 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.527 -14.230 -2.430 1.00 0.00 H new ATOM 943 N GLY A 59 -3.877 -16.952 -1.957 1.00 0.00 N ATOM 944 CA GLY A 59 -2.860 -17.765 -2.602 1.00 0.00 C ATOM 945 C GLY A 59 -1.504 -17.593 -1.914 1.00 0.00 C ATOM 946 O GLY A 59 -1.128 -18.401 -1.065 1.00 0.00 O ATOM 0 H GLY A 59 -4.270 -17.356 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.156 -18.814 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.777 -17.485 -3.652 1.00 0.00 H new ATOM 950 N GLY A 60 -0.807 -16.536 -2.305 1.00 0.00 N ATOM 951 CA GLY A 60 0.499 -16.249 -1.737 1.00 0.00 C ATOM 952 C GLY A 60 0.803 -14.750 -1.793 1.00 0.00 C ATOM 953 O GLY A 60 1.958 -14.343 -1.680 1.00 0.00 O ATOM 0 H GLY A 60 -1.122 -15.868 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.534 -16.592 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.266 -16.800 -2.282 1.00 0.00 H new ATOM 957 N LYS A 61 -0.255 -13.971 -1.966 1.00 0.00 N ATOM 958 CA LYS A 61 -0.115 -12.526 -2.038 1.00 0.00 C ATOM 959 C LYS A 61 -1.242 -11.869 -1.238 1.00 0.00 C ATOM 960 O LYS A 61 -2.310 -12.455 -1.067 1.00 0.00 O ATOM 961 CB LYS A 61 -0.046 -12.066 -3.495 1.00 0.00 C ATOM 962 CG LYS A 61 1.127 -12.725 -4.223 1.00 0.00 C ATOM 963 CD LYS A 61 0.964 -12.613 -5.740 1.00 0.00 C ATOM 964 CE LYS A 61 0.357 -13.891 -6.322 1.00 0.00 C ATOM 965 NZ LYS A 61 0.565 -13.943 -7.787 1.00 0.00 N ATOM 0 H LYS A 61 -1.212 -14.313 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 61 0.825 -12.211 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.979 -12.313 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.060 -10.982 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.061 -12.252 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.193 -13.775 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.326 -11.762 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.934 -12.424 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.812 -14.763 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.709 -13.929 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.147 -14.817 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.110 -13.120 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.584 -13.929 -7.994 1.00 0.00 H new ATOM 979 N VAL A 62 -0.966 -10.661 -0.770 1.00 0.00 N ATOM 980 CA VAL A 62 -1.943 -9.918 0.008 1.00 0.00 C ATOM 981 C VAL A 62 -2.720 -8.981 -0.919 1.00 0.00 C ATOM 982 O VAL A 62 -2.126 -8.177 -1.635 1.00 0.00 O ATOM 983 CB VAL A 62 -1.249 -9.182 1.156 1.00 0.00 C ATOM 984 CG1 VAL A 62 -0.071 -9.996 1.696 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.797 -7.787 0.719 1.00 0.00 C ATOM 0 H VAL A 62 -0.079 -10.178 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.664 -10.597 0.464 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.972 -9.062 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.405 -9.451 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.431 -10.957 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.653 -10.161 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.307 -7.285 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.098 -7.875 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.664 -7.206 0.405 1.00 0.00 H new ATOM 995 N ARG A 63 -4.038 -9.117 -0.876 1.00 0.00 N ATOM 996 CA ARG A 63 -4.902 -8.293 -1.703 1.00 0.00 C ATOM 997 C ARG A 63 -5.255 -6.995 -0.974 1.00 0.00 C ATOM 998 O ARG A 63 -6.102 -6.990 -0.082 1.00 0.00 O ATOM 999 CB ARG A 63 -6.192 -9.034 -2.062 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.901 -10.232 -2.969 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.527 -9.773 -4.380 1.00 0.00 C ATOM 1002 NE ARG A 63 -5.280 -10.948 -5.245 1.00 0.00 N ATOM 1003 CZ ARG A 63 -5.301 -10.912 -6.585 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -5.557 -9.761 -7.220 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -5.065 -12.028 -7.288 1.00 0.00 N ATOM 0 H ARG A 63 -4.528 -9.786 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.360 -8.063 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.686 -9.374 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.880 -8.353 -2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.088 -10.823 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.776 -10.880 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.329 -9.165 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.637 -9.145 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.081 -11.841 -4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.736 -8.912 -6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.573 -9.734 -8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.870 -12.904 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.081 -12.001 -8.308 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.587 -5.925 -1.381 1.00 0.00 N ATOM 1020 CA LEU A 64 -4.820 -4.624 -0.777 1.00 0.00 C ATOM 1021 C LEU A 64 -6.061 -3.989 -1.406 1.00 0.00 C ATOM 1022 O LEU A 64 -6.153 -3.874 -2.628 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.565 -3.754 -0.879 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.681 -3.702 0.369 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.574 -2.657 0.214 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.521 -3.465 1.626 1.00 0.00 C ATOM 0 H LEU A 64 -3.885 -5.933 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.021 -4.729 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.962 -4.117 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.871 -2.737 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.195 -4.671 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.960 -2.641 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.952 -2.911 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.020 -1.674 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.869 -3.432 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.053 -2.518 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.240 -4.276 1.741 1.00 0.00 H new ATOM 1038 N TYR A 65 -6.985 -3.592 -0.544 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.218 -2.972 -1.000 1.00 0.00 C ATOM 1040 C TYR A 65 -8.465 -1.647 -0.276 1.00 0.00 C ATOM 1041 O TYR A 65 -8.604 -1.620 0.946 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.339 -3.950 -0.646 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.281 -5.270 -1.419 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.581 -5.294 -2.765 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -8.927 -6.435 -0.769 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.526 -6.536 -3.492 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.872 -7.676 -1.496 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.175 -7.666 -2.822 1.00 0.00 C ATOM 1049 OH TYR A 65 -9.123 -8.839 -3.509 1.00 0.00 O ATOM 0 H TYR A 65 -6.905 -3.687 0.468 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.170 -2.762 -2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.297 -4.164 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.299 -3.471 -0.837 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.857 -4.382 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.691 -6.415 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.758 -6.569 -4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.596 -8.595 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.857 -9.562 -2.903 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.512 -0.580 -1.060 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.741 0.745 -0.508 1.00 0.00 C ATOM 1061 C PHE A 66 -10.017 1.364 -1.080 1.00 0.00 C ATOM 1062 O PHE A 66 -10.241 1.328 -2.289 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.544 1.609 -0.910 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.255 1.278 -0.154 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.091 1.703 1.127 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.275 0.560 -0.764 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -4.895 1.396 1.829 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.079 0.253 -0.062 1.00 0.00 C ATOM 1069 CZ PHE A 66 -3.914 0.677 1.219 1.00 0.00 C ATOM 0 H PHE A 66 -8.395 -0.606 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.853 0.683 0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.367 1.491 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.793 2.657 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.870 2.274 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.406 0.223 -1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.764 1.733 2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.300 -0.318 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.004 0.443 1.752 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.821 1.918 -0.184 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.069 2.545 -0.585 1.00 0.00 C ATOM 1081 C HIS A 67 -12.203 3.906 0.100 1.00 0.00 C ATOM 1082 O HIS A 67 -12.362 3.980 1.317 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.256 1.621 -0.303 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.583 2.163 -0.777 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -15.023 3.440 -0.473 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.560 1.590 -1.537 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.213 3.616 -1.028 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.544 2.468 -1.687 1.00 0.00 N ATOM 0 H HIS A 67 -10.632 1.946 0.818 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.064 2.717 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.076 0.659 -0.783 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.313 1.437 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.537 0.591 -1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.815 4.511 -0.969 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.406 2.310 -2.209 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.133 4.951 -0.713 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.244 6.306 -0.201 1.00 0.00 C ATOM 1098 C VAL A 68 -13.152 7.122 -1.123 1.00 0.00 C ATOM 1099 O VAL A 68 -12.838 7.317 -2.296 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.851 6.919 -0.038 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -9.927 6.493 -1.180 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -10.932 8.444 0.062 1.00 0.00 C ATOM 0 H VAL A 68 -12.001 4.886 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.702 6.305 0.788 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.427 6.544 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.944 6.943 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.832 5.407 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.346 6.825 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.929 8.855 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.386 8.844 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.539 8.720 0.924 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.290 7.589 -0.542 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.246 8.379 -1.299 1.00 0.00 C ATOM 1114 C PRO A 69 -14.731 9.803 -1.515 1.00 0.00 C ATOM 1115 O PRO A 69 -14.487 10.214 -2.649 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.529 8.329 -0.485 1.00 0.00 C ATOM 1117 CG PRO A 69 -16.118 7.906 0.916 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.695 7.377 0.844 1.00 0.00 C ATOM 0 HA PRO A 69 -15.411 7.990 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.021 9.302 -0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.237 7.620 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -16.177 8.751 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.792 7.138 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.040 7.909 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.651 6.321 1.112 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.581 10.518 -0.410 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.099 11.888 -0.464 1.00 0.00 C ATOM 1128 C ASP A 70 -12.996 11.995 -1.520 1.00 0.00 C ATOM 1129 O ASP A 70 -12.816 13.048 -2.129 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.509 12.318 0.880 1.00 0.00 C ATOM 1131 CG ASP A 70 -13.191 13.810 0.999 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -14.148 14.606 0.880 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -11.999 14.122 1.207 1.00 0.00 O ATOM 0 H ASP A 70 -14.785 10.174 0.529 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.943 12.532 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.209 12.047 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.594 11.752 1.056 1.00 0.00 H new ATOM 1138 N GLU A 71 -12.288 10.890 -1.704 1.00 0.00 N ATOM 1139 CA GLU A 71 -11.208 10.846 -2.675 1.00 0.00 C ATOM 1140 C GLU A 71 -10.046 11.730 -2.217 1.00 0.00 C ATOM 1141 O GLU A 71 -9.197 12.111 -3.021 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.701 11.264 -4.062 1.00 0.00 C ATOM 1143 CG GLU A 71 -11.858 10.048 -4.977 1.00 0.00 C ATOM 1144 CD GLU A 71 -11.849 10.465 -6.449 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -10.736 10.715 -6.961 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -12.954 10.524 -7.029 1.00 0.00 O ATOM 0 H GLU A 71 -12.441 10.018 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.851 9.819 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.656 11.782 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.997 11.969 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.049 9.341 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.791 9.533 -4.747 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.046 12.030 -0.927 1.00 0.00 N ATOM 1154 CA ALA A 72 -9.002 12.862 -0.352 1.00 0.00 C ATOM 1155 C ALA A 72 -7.655 12.481 -0.969 1.00 0.00 C ATOM 1156 O ALA A 72 -7.281 11.309 -0.978 1.00 0.00 O ATOM 1157 CB ALA A 72 -9.009 12.712 1.170 1.00 0.00 C ATOM 0 H ALA A 72 -10.752 11.712 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.182 13.913 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.226 13.336 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.977 13.023 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.829 11.670 1.434 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.944 13.520 -1.484 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.647 13.306 -2.102 1.00 0.00 C ATOM 1165 C PRO A 73 -4.571 13.050 -1.044 1.00 0.00 C ATOM 1166 O PRO A 73 -3.441 12.695 -1.376 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.388 14.562 -2.919 1.00 0.00 C ATOM 1168 CG PRO A 73 -6.326 15.621 -2.364 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.356 14.921 -1.492 1.00 0.00 C ATOM 0 HA PRO A 73 -5.626 12.421 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.348 14.877 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.580 14.386 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.770 16.356 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.816 16.160 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.369 15.336 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.361 15.036 -1.897 1.00 0.00 H new ATOM 1177 N THR A 74 -4.961 13.239 0.208 1.00 0.00 N ATOM 1178 CA THR A 74 -4.045 13.033 1.316 1.00 0.00 C ATOM 1179 C THR A 74 -4.250 11.645 1.926 1.00 0.00 C ATOM 1180 O THR A 74 -3.302 11.029 2.411 1.00 0.00 O ATOM 1181 CB THR A 74 -4.248 14.172 2.316 1.00 0.00 C ATOM 1182 OG1 THR A 74 -5.662 14.336 2.374 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.739 15.514 1.787 1.00 0.00 C ATOM 0 H THR A 74 -5.899 13.533 0.479 1.00 0.00 H new ATOM 0 HA THR A 74 -3.008 13.057 0.981 1.00 0.00 H new ATOM 0 HB THR A 74 -3.736 13.931 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.882 15.055 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.907 16.288 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.672 15.440 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.274 15.771 0.873 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.494 11.192 1.882 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.836 9.888 2.425 1.00 0.00 C ATOM 1193 C VAL A 75 -5.505 8.808 1.392 1.00 0.00 C ATOM 1194 O VAL A 75 -4.886 7.798 1.722 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.303 9.870 2.859 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -7.622 11.062 3.764 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -8.234 9.839 1.645 1.00 0.00 C ATOM 0 H VAL A 75 -6.278 11.705 1.479 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.245 9.678 3.316 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.471 8.959 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.671 11.025 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.994 11.021 4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.429 11.990 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.271 9.827 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.062 10.724 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.033 8.944 1.055 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.932 9.059 0.163 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.688 8.121 -0.919 1.00 0.00 C ATOM 1209 C LYS A 76 -4.180 7.930 -1.094 1.00 0.00 C ATOM 1210 O LYS A 76 -3.702 6.802 -1.204 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.402 8.577 -2.194 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.163 7.417 -2.840 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.387 7.924 -3.605 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.672 7.048 -4.827 1.00 0.00 C ATOM 1215 NZ LYS A 76 -10.090 6.627 -4.844 1.00 0.00 N ATOM 0 H LYS A 76 -6.445 9.898 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.107 7.144 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.095 9.385 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.674 8.977 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.503 6.877 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.477 6.710 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.255 7.929 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.221 8.954 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.439 7.598 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.026 6.170 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.441 6.630 -5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.172 5.668 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.655 7.286 -4.271 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.472 9.050 -1.112 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.029 9.020 -1.271 1.00 0.00 C ATOM 1231 C ALA A 77 -1.456 7.845 -0.477 1.00 0.00 C ATOM 1232 O ALA A 77 -0.938 6.892 -1.057 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.439 10.362 -0.833 1.00 0.00 C ATOM 0 H ALA A 77 -3.872 9.984 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.762 8.872 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.356 10.340 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.855 11.160 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.685 10.544 0.213 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.570 7.950 0.839 1.00 0.00 N ATOM 1240 CA PHE A 78 -1.071 6.908 1.720 1.00 0.00 C ATOM 1241 C PHE A 78 -1.438 5.520 1.190 1.00 0.00 C ATOM 1242 O PHE A 78 -0.591 4.629 1.132 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.739 7.114 3.081 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.856 6.731 4.271 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.322 7.377 4.479 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -1.251 5.745 5.121 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.141 7.022 5.583 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.432 5.391 6.225 1.00 0.00 C ATOM 1249 CZ PHE A 78 0.747 6.037 6.433 1.00 0.00 C ATOM 0 H PHE A 78 -2.001 8.742 1.317 1.00 0.00 H new ATOM 0 HA PHE A 78 0.015 6.967 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.028 8.160 3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.656 6.525 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.635 8.160 3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.187 5.232 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.077 7.535 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.745 4.608 6.900 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.370 5.767 7.273 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.701 5.380 0.815 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.191 4.116 0.292 1.00 0.00 C ATOM 1261 C ALA A 79 -2.416 3.760 -0.978 1.00 0.00 C ATOM 1262 O ALA A 79 -1.824 2.686 -1.069 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.698 4.214 0.047 1.00 0.00 C ATOM 0 H ALA A 79 -3.400 6.121 0.863 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.030 3.314 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.065 3.266 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.205 4.439 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.899 5.007 -0.674 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.444 4.684 -1.928 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.752 4.481 -3.190 1.00 0.00 C ATOM 1271 C GLY A 80 -0.276 4.152 -2.958 1.00 0.00 C ATOM 1272 O GLY A 80 0.392 3.623 -3.845 1.00 0.00 O ATOM 0 H GLY A 80 -2.935 5.575 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.227 3.670 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.836 5.378 -3.804 1.00 0.00 H new ATOM 1276 N LEU A 81 0.190 4.479 -1.762 1.00 0.00 N ATOM 1277 CA LEU A 81 1.574 4.225 -1.402 1.00 0.00 C ATOM 1278 C LEU A 81 1.718 2.775 -0.937 1.00 0.00 C ATOM 1279 O LEU A 81 2.501 2.013 -1.502 1.00 0.00 O ATOM 1280 CB LEU A 81 2.058 5.251 -0.375 1.00 0.00 C ATOM 1281 CG LEU A 81 3.575 5.372 -0.211 1.00 0.00 C ATOM 1282 CD1 LEU A 81 3.951 6.700 0.448 1.00 0.00 C ATOM 1283 CD2 LEU A 81 4.141 4.173 0.552 1.00 0.00 C ATOM 0 H LEU A 81 -0.367 4.918 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 81 2.222 4.348 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.664 6.228 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.627 4.997 0.593 1.00 0.00 H new ATOM 0 HG LEU A 81 4.027 5.365 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.034 6.760 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.600 7.526 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.487 6.762 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.220 4.284 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.686 4.123 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.921 3.257 0.005 1.00 0.00 H new ATOM 1295 N LEU A 82 0.950 2.437 0.088 1.00 0.00 N ATOM 1296 CA LEU A 82 0.983 1.091 0.636 1.00 0.00 C ATOM 1297 C LEU A 82 0.727 0.083 -0.486 1.00 0.00 C ATOM 1298 O LEU A 82 1.240 -1.035 -0.450 1.00 0.00 O ATOM 1299 CB LEU A 82 0.008 0.966 1.808 1.00 0.00 C ATOM 1300 CG LEU A 82 0.145 2.019 2.909 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.176 2.203 3.660 1.00 0.00 C ATOM 1302 CD2 LEU A 82 1.298 1.677 3.855 1.00 0.00 C ATOM 0 H LEU A 82 0.301 3.071 0.554 1.00 0.00 H new ATOM 0 HA LEU A 82 1.969 0.870 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.008 1.009 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.135 -0.019 2.257 1.00 0.00 H new ATOM 0 HG LEU A 82 0.385 2.973 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.051 2.957 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.949 2.526 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.470 1.258 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.373 2.442 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.113 0.708 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.231 1.637 3.292 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.065 0.513 -1.457 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.395 -0.338 -2.587 1.00 0.00 C ATOM 1316 C ARG A 83 0.725 -0.294 -3.629 1.00 0.00 C ATOM 1317 O ARG A 83 0.760 -1.116 -4.543 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.708 0.097 -3.241 1.00 0.00 C ATOM 1319 CG ARG A 83 -2.171 -0.928 -4.278 1.00 0.00 C ATOM 1320 CD ARG A 83 -3.280 -0.352 -5.160 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.317 -1.065 -6.457 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.994 -2.202 -6.669 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.693 -2.762 -5.673 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.970 -2.780 -7.878 1.00 0.00 N ATOM 0 H ARG A 83 -0.488 1.441 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.509 -1.355 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.476 0.219 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.576 1.068 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.327 -1.229 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.531 -1.824 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.242 -0.446 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.109 0.712 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.795 -0.666 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.710 -2.323 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.208 -3.627 -5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.437 -2.355 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.485 -3.645 -8.040 1.00 0.00 H new ATOM 1338 N GLU A 84 1.612 0.675 -3.457 1.00 0.00 N ATOM 1339 CA GLU A 84 2.730 0.837 -4.371 1.00 0.00 C ATOM 1340 C GLU A 84 3.986 0.181 -3.795 1.00 0.00 C ATOM 1341 O GLU A 84 5.037 0.175 -4.434 1.00 0.00 O ATOM 1342 CB GLU A 84 2.976 2.315 -4.679 1.00 0.00 C ATOM 1343 CG GLU A 84 2.495 2.669 -6.088 1.00 0.00 C ATOM 1344 CD GLU A 84 3.070 1.699 -7.122 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.291 1.443 -7.043 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.276 1.237 -7.969 1.00 0.00 O ATOM 0 H GLU A 84 1.579 1.356 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 84 2.482 0.340 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.457 2.934 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.039 2.537 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.406 2.640 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.795 3.688 -6.333 1.00 0.00 H new ATOM 1353 N GLY A 85 3.836 -0.357 -2.593 1.00 0.00 N ATOM 1354 CA GLY A 85 4.946 -1.015 -1.924 1.00 0.00 C ATOM 1355 C GLY A 85 4.554 -2.420 -1.465 1.00 0.00 C ATOM 1356 O GLY A 85 5.362 -3.345 -1.525 1.00 0.00 O ATOM 0 H GLY A 85 2.963 -0.351 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.799 -1.074 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.260 -0.422 -1.065 1.00 0.00 H new ATOM 1360 N LEU A 86 3.312 -2.537 -1.016 1.00 0.00 N ATOM 1361 CA LEU A 86 2.803 -3.814 -0.547 1.00 0.00 C ATOM 1362 C LEU A 86 2.097 -4.531 -1.699 1.00 0.00 C ATOM 1363 O LEU A 86 2.589 -5.541 -2.202 1.00 0.00 O ATOM 1364 CB LEU A 86 1.921 -3.619 0.688 1.00 0.00 C ATOM 1365 CG LEU A 86 2.593 -2.959 1.894 1.00 0.00 C ATOM 1366 CD1 LEU A 86 3.304 -3.998 2.763 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.537 -1.839 1.451 1.00 0.00 C ATOM 0 H LEU A 86 2.644 -1.768 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 86 3.623 -4.456 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.059 -3.017 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.541 -4.593 0.997 1.00 0.00 H new ATOM 0 HG LEU A 86 1.818 -2.502 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.773 -3.502 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.579 -4.728 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.067 -4.505 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.001 -1.387 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.310 -2.250 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.973 -1.081 0.908 1.00 0.00 H new ATOM 1379 N GLU A 87 0.954 -3.982 -2.084 1.00 0.00 N ATOM 1380 CA GLU A 87 0.175 -4.556 -3.168 1.00 0.00 C ATOM 1381 C GLU A 87 0.952 -5.693 -3.836 1.00 0.00 C ATOM 1382 O GLU A 87 1.971 -5.457 -4.484 1.00 0.00 O ATOM 1383 CB GLU A 87 -0.216 -3.486 -4.189 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.324 -3.991 -5.116 1.00 0.00 C ATOM 1385 CD GLU A 87 -2.458 -4.633 -4.315 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -3.342 -3.869 -3.871 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -2.416 -5.873 -4.165 1.00 0.00 O ATOM 0 H GLU A 87 0.549 -3.145 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.745 -4.966 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.552 -2.589 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.657 -3.205 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.715 -3.162 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.913 -4.717 -5.818 1.00 0.00 H new ATOM 1394 N GLY A 88 0.442 -6.902 -3.654 1.00 0.00 N ATOM 1395 CA GLY A 88 1.075 -8.076 -4.231 1.00 0.00 C ATOM 1396 C GLY A 88 2.177 -8.611 -3.314 1.00 0.00 C ATOM 1397 O GLY A 88 2.851 -9.583 -3.649 1.00 0.00 O ATOM 0 H GLY A 88 -0.402 -7.094 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.328 -8.852 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.497 -7.825 -5.204 1.00 0.00 H new ATOM 1401 N GLU A 89 2.325 -7.952 -2.174 1.00 0.00 N ATOM 1402 CA GLU A 89 3.333 -8.349 -1.206 1.00 0.00 C ATOM 1403 C GLU A 89 2.824 -9.516 -0.357 1.00 0.00 C ATOM 1404 O GLU A 89 1.642 -9.854 -0.406 1.00 0.00 O ATOM 1405 CB GLU A 89 3.743 -7.167 -0.324 1.00 0.00 C ATOM 1406 CG GLU A 89 4.959 -6.444 -0.907 1.00 0.00 C ATOM 1407 CD GLU A 89 6.137 -7.404 -1.079 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.193 -8.380 -0.300 1.00 0.00 O ATOM 1409 OE2 GLU A 89 6.956 -7.141 -1.987 1.00 0.00 O ATOM 0 H GLU A 89 1.764 -7.146 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 89 4.219 -8.679 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.910 -6.470 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.973 -7.521 0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.699 -6.006 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.247 -5.623 -0.251 1.00 0.00 H new ATOM 1416 N SER A 90 3.741 -10.099 0.401 1.00 0.00 N ATOM 1417 CA SER A 90 3.399 -11.220 1.260 1.00 0.00 C ATOM 1418 C SER A 90 2.648 -10.723 2.497 1.00 0.00 C ATOM 1419 O SER A 90 2.681 -9.534 2.811 1.00 0.00 O ATOM 1420 CB SER A 90 4.650 -11.997 1.675 1.00 0.00 C ATOM 1421 OG SER A 90 5.627 -12.030 0.638 1.00 0.00 O ATOM 0 H SER A 90 4.720 -9.816 0.438 1.00 0.00 H new ATOM 0 HA SER A 90 2.753 -11.896 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.082 -11.540 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.371 -13.016 1.943 1.00 0.00 H new ATOM 0 HG SER A 90 6.411 -12.533 0.943 1.00 0.00 H new ATOM 1427 N PRO A 91 1.972 -11.682 3.183 1.00 0.00 N ATOM 1428 CA PRO A 91 1.214 -11.354 4.378 1.00 0.00 C ATOM 1429 C PRO A 91 2.145 -11.111 5.568 1.00 0.00 C ATOM 1430 O PRO A 91 1.719 -10.591 6.598 1.00 0.00 O ATOM 1431 CB PRO A 91 0.279 -12.534 4.587 1.00 0.00 C ATOM 1432 CG PRO A 91 0.865 -13.680 3.780 1.00 0.00 C ATOM 1433 CD PRO A 91 1.910 -13.100 2.840 1.00 0.00 C ATOM 0 HA PRO A 91 0.648 -10.428 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.210 -12.795 5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.730 -12.296 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.315 -14.421 4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.083 -14.188 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.877 -13.583 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.627 -13.243 1.797 1.00 0.00 H new ATOM 1441 N GLU A 92 3.399 -11.499 5.386 1.00 0.00 N ATOM 1442 CA GLU A 92 4.394 -11.330 6.431 1.00 0.00 C ATOM 1443 C GLU A 92 5.145 -10.010 6.241 1.00 0.00 C ATOM 1444 O GLU A 92 5.279 -9.227 7.180 1.00 0.00 O ATOM 1445 CB GLU A 92 5.363 -12.513 6.462 1.00 0.00 C ATOM 1446 CG GLU A 92 4.759 -13.735 5.768 1.00 0.00 C ATOM 1447 CD GLU A 92 5.188 -13.800 4.301 1.00 0.00 C ATOM 1448 OE1 GLU A 92 6.034 -12.963 3.919 1.00 0.00 O ATOM 1449 OE2 GLU A 92 4.660 -14.685 3.594 1.00 0.00 O ATOM 0 H GLU A 92 3.748 -11.930 4.530 1.00 0.00 H new ATOM 0 HA GLU A 92 3.881 -11.298 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.296 -12.236 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 92 5.607 -12.761 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.073 -14.643 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.672 -13.693 5.831 1.00 0.00 H new ATOM 1456 N ALA A 93 5.615 -9.805 5.020 1.00 0.00 N ATOM 1457 CA ALA A 93 6.350 -8.594 4.694 1.00 0.00 C ATOM 1458 C ALA A 93 5.461 -7.377 4.960 1.00 0.00 C ATOM 1459 O ALA A 93 5.961 -6.270 5.152 1.00 0.00 O ATOM 1460 CB ALA A 93 6.827 -8.661 3.242 1.00 0.00 C ATOM 0 H ALA A 93 5.501 -10.457 4.244 1.00 0.00 H new ATOM 0 HA ALA A 93 7.235 -8.501 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.378 -7.753 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.477 -9.526 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.966 -8.752 2.580 1.00 0.00 H new ATOM 1466 N VAL A 94 4.160 -7.624 4.964 1.00 0.00 N ATOM 1467 CA VAL A 94 3.197 -6.562 5.203 1.00 0.00 C ATOM 1468 C VAL A 94 3.151 -6.250 6.701 1.00 0.00 C ATOM 1469 O VAL A 94 3.148 -5.086 7.096 1.00 0.00 O ATOM 1470 CB VAL A 94 1.833 -6.954 4.632 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.700 -6.261 5.392 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.757 -6.647 3.135 1.00 0.00 C ATOM 0 H VAL A 94 3.749 -8.544 4.806 1.00 0.00 H new ATOM 0 HA VAL A 94 3.499 -5.649 4.689 1.00 0.00 H new ATOM 0 HB VAL A 94 1.713 -8.030 4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.258 -6.557 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.735 -6.551 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.815 -5.180 5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.777 -6.935 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.909 -5.580 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.530 -7.207 2.609 1.00 0.00 H new ATOM 1482 N LEU A 95 3.115 -7.312 7.493 1.00 0.00 N ATOM 1483 CA LEU A 95 3.068 -7.166 8.938 1.00 0.00 C ATOM 1484 C LEU A 95 4.385 -6.559 9.427 1.00 0.00 C ATOM 1485 O LEU A 95 4.392 -5.739 10.343 1.00 0.00 O ATOM 1486 CB LEU A 95 2.722 -8.500 9.600 1.00 0.00 C ATOM 1487 CG LEU A 95 1.231 -8.813 9.740 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.582 -7.929 10.807 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.518 -8.700 8.391 1.00 0.00 C ATOM 0 H LEU A 95 3.117 -8.277 7.161 1.00 0.00 H new ATOM 0 HA LEU A 95 2.273 -6.479 9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.188 -9.300 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.171 -8.517 10.593 1.00 0.00 H new ATOM 0 HG LEU A 95 1.129 -9.846 10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.478 -8.172 10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.067 -8.103 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.694 -6.881 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.540 -8.927 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.627 -7.686 8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.958 -9.406 7.687 1.00 0.00 H new ATOM 1501 N GLU A 96 5.468 -6.987 8.795 1.00 0.00 N ATOM 1502 CA GLU A 96 6.787 -6.497 9.154 1.00 0.00 C ATOM 1503 C GLU A 96 6.839 -4.973 9.031 1.00 0.00 C ATOM 1504 O GLU A 96 7.699 -4.327 9.628 1.00 0.00 O ATOM 1505 CB GLU A 96 7.869 -7.153 8.294 1.00 0.00 C ATOM 1506 CG GLU A 96 7.893 -8.668 8.505 1.00 0.00 C ATOM 1507 CD GLU A 96 9.137 -9.093 9.289 1.00 0.00 C ATOM 1508 OE1 GLU A 96 10.203 -8.494 9.029 1.00 0.00 O ATOM 1509 OE2 GLU A 96 8.994 -10.008 10.129 1.00 0.00 O ATOM 0 H GLU A 96 5.458 -7.668 8.036 1.00 0.00 H new ATOM 0 HA GLU A 96 6.982 -6.765 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.687 -6.932 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.843 -6.732 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.997 -8.978 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.877 -9.174 7.539 1.00 0.00 H new ATOM 1516 N VAL A 97 5.907 -4.442 8.253 1.00 0.00 N ATOM 1517 CA VAL A 97 5.836 -3.006 8.044 1.00 0.00 C ATOM 1518 C VAL A 97 5.474 -2.320 9.363 1.00 0.00 C ATOM 1519 O VAL A 97 4.402 -2.557 9.917 1.00 0.00 O ATOM 1520 CB VAL A 97 4.851 -2.689 6.917 1.00 0.00 C ATOM 1521 CG1 VAL A 97 4.784 -1.183 6.653 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.213 -3.453 5.642 1.00 0.00 C ATOM 0 H VAL A 97 5.195 -4.981 7.760 1.00 0.00 H new ATOM 0 HA VAL A 97 6.805 -2.618 7.730 1.00 0.00 H new ATOM 0 HB VAL A 97 3.862 -3.017 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.077 -0.986 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.457 -0.669 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.771 -0.820 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.497 -3.210 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.215 -3.170 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.185 -4.525 5.840 1.00 0.00 H new ATOM 1532 N PRO A 98 6.415 -1.461 9.841 1.00 0.00 N ATOM 1533 CA PRO A 98 6.206 -0.740 11.085 1.00 0.00 C ATOM 1534 C PRO A 98 5.208 0.404 10.894 1.00 0.00 C ATOM 1535 O PRO A 98 4.868 0.755 9.765 1.00 0.00 O ATOM 1536 CB PRO A 98 7.588 -0.260 11.497 1.00 0.00 C ATOM 1537 CG PRO A 98 8.444 -0.327 10.243 1.00 0.00 C ATOM 1538 CD PRO A 98 7.696 -1.156 9.212 1.00 0.00 C ATOM 0 HA PRO A 98 5.766 -1.363 11.864 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.548 0.757 11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 98 8.001 -0.889 12.286 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.638 0.675 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.412 -0.777 10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.559 -0.603 8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.242 -2.066 8.964 1.00 0.00 H new ATOM 1546 N PRO A 99 4.755 0.969 12.045 1.00 0.00 N ATOM 1547 CA PRO A 99 3.803 2.066 12.016 1.00 0.00 C ATOM 1548 C PRO A 99 4.483 3.373 11.603 1.00 0.00 C ATOM 1549 O PRO A 99 3.836 4.416 11.522 1.00 0.00 O ATOM 1550 CB PRO A 99 3.220 2.119 13.419 1.00 0.00 C ATOM 1551 CG PRO A 99 4.195 1.360 14.304 1.00 0.00 C ATOM 1552 CD PRO A 99 5.136 0.580 13.400 1.00 0.00 C ATOM 0 HA PRO A 99 3.016 1.919 11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 99 3.107 3.149 13.756 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.230 1.664 13.448 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.756 2.051 14.934 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.659 0.684 14.971 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.178 0.827 13.605 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.028 -0.494 13.549 1.00 0.00 H new ATOM 1560 N GLY A 100 5.780 3.273 11.351 1.00 0.00 N ATOM 1561 CA GLY A 100 6.556 4.433 10.947 1.00 0.00 C ATOM 1562 C GLY A 100 7.595 4.057 9.889 1.00 0.00 C ATOM 1563 O GLY A 100 8.782 4.333 10.053 1.00 0.00 O ATOM 0 H GLY A 100 6.313 2.406 11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.890 5.200 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.055 4.861 11.816 1.00 0.00 H new ATOM 1567 N PHE A 101 7.110 3.434 8.825 1.00 0.00 N ATOM 1568 CA PHE A 101 7.981 3.017 7.740 1.00 0.00 C ATOM 1569 C PHE A 101 8.329 4.199 6.832 1.00 0.00 C ATOM 1570 O PHE A 101 8.995 4.027 5.812 1.00 0.00 O ATOM 1571 CB PHE A 101 7.215 1.972 6.926 1.00 0.00 C ATOM 1572 CG PHE A 101 5.919 2.496 6.305 1.00 0.00 C ATOM 1573 CD1 PHE A 101 5.967 3.414 5.302 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.717 2.044 6.755 1.00 0.00 C ATOM 1575 CE1 PHE A 101 4.764 3.900 4.726 1.00 0.00 C ATOM 1576 CE2 PHE A 101 3.514 2.530 6.179 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.563 3.448 5.176 1.00 0.00 C ATOM 0 H PHE A 101 6.124 3.208 8.691 1.00 0.00 H new ATOM 0 HA PHE A 101 8.911 2.616 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.862 1.599 6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.981 1.125 7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.921 3.773 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.678 1.315 7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.803 4.629 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.560 2.171 6.537 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.648 3.818 4.737 1.00 0.00 H new ATOM 1587 N TYR A 102 7.863 5.371 7.236 1.00 0.00 N ATOM 1588 CA TYR A 102 8.117 6.581 6.471 1.00 0.00 C ATOM 1589 C TYR A 102 9.040 7.530 7.238 1.00 0.00 C ATOM 1590 O TYR A 102 9.392 8.598 6.738 1.00 0.00 O ATOM 1591 CB TYR A 102 6.756 7.254 6.283 1.00 0.00 C ATOM 1592 CG TYR A 102 6.096 7.700 7.590 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.307 6.819 8.300 1.00 0.00 C ATOM 1594 CD2 TYR A 102 6.291 8.984 8.058 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.686 7.239 9.530 1.00 0.00 C ATOM 1596 CE2 TYR A 102 5.671 9.404 9.287 1.00 0.00 C ATOM 1597 CZ TYR A 102 4.899 8.511 9.963 1.00 0.00 C ATOM 1598 OH TYR A 102 4.313 8.908 11.124 1.00 0.00 O ATOM 0 H TYR A 102 7.311 5.509 8.083 1.00 0.00 H new ATOM 0 HA TYR A 102 8.600 6.342 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.878 8.122 5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.088 6.563 5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.155 5.814 7.934 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.909 9.673 7.502 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.065 6.560 10.096 1.00 0.00 H new ATOM 0 HE2 TYR A 102 5.815 10.406 9.664 1.00 0.00 H new ATOM 0 HH TYR A 102 4.732 9.737 11.435 1.00 0.00 H new ATOM 1608 N ARG A 103 9.407 7.107 8.438 1.00 0.00 N ATOM 1609 CA ARG A 103 10.283 7.906 9.278 1.00 0.00 C ATOM 1610 C ARG A 103 11.547 8.295 8.509 1.00 0.00 C ATOM 1611 O ARG A 103 11.865 9.477 8.388 1.00 0.00 O ATOM 1612 CB ARG A 103 10.679 7.143 10.544 1.00 0.00 C ATOM 1613 CG ARG A 103 9.500 7.038 11.513 1.00 0.00 C ATOM 1614 CD ARG A 103 9.885 6.243 12.762 1.00 0.00 C ATOM 1615 NE ARG A 103 8.728 6.151 13.680 1.00 0.00 N ATOM 1616 CZ ARG A 103 8.654 5.299 14.712 1.00 0.00 C ATOM 1617 NH1 ARG A 103 9.668 4.460 14.962 1.00 0.00 N ATOM 1618 NH2 ARG A 103 7.565 5.285 15.493 1.00 0.00 N ATOM 0 H ARG A 103 9.114 6.221 8.849 1.00 0.00 H new ATOM 0 HA ARG A 103 9.737 8.805 9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.025 6.144 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.512 7.649 11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.171 8.037 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.658 6.556 11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.216 5.244 12.479 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.722 6.725 13.266 1.00 0.00 H new ATOM 0 HE ARG A 103 7.938 6.775 13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.496 4.470 14.367 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.612 3.812 15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.792 5.923 15.302 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.509 4.636 16.278 1.00 0.00 H new ATOM 1632 N GLY A 104 12.233 7.278 8.009 1.00 0.00 N ATOM 1633 CA GLY A 104 13.455 7.498 7.254 1.00 0.00 C ATOM 1634 C GLY A 104 13.144 7.983 5.837 1.00 0.00 C ATOM 1635 O GLY A 104 13.608 7.396 4.860 1.00 0.00 O ATOM 0 H GLY A 104 11.966 6.299 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 104 14.076 8.233 7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.030 6.573 7.208 1.00 0.00 H new ATOM 1639 N TYR A 105 12.362 9.050 5.769 1.00 0.00 N ATOM 1640 CA TYR A 105 11.984 9.621 4.488 1.00 0.00 C ATOM 1641 C TYR A 105 11.417 11.032 4.661 1.00 0.00 C ATOM 1642 O TYR A 105 11.594 11.651 5.709 1.00 0.00 O ATOM 1643 CB TYR A 105 10.889 8.710 3.927 1.00 0.00 C ATOM 1644 CG TYR A 105 11.353 7.279 3.649 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.042 6.990 2.488 1.00 0.00 C ATOM 1646 CD2 TYR A 105 11.083 6.277 4.558 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.478 5.643 2.226 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.519 4.930 4.297 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.195 4.679 3.144 1.00 0.00 C ATOM 1650 OH TYR A 105 12.607 3.407 2.896 1.00 0.00 O ATOM 0 H TYR A 105 11.980 9.534 6.581 1.00 0.00 H new ATOM 0 HA TYR A 105 12.849 9.690 3.829 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.058 8.681 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.508 9.144 3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.254 7.774 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 105 10.544 6.503 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.017 5.403 1.322 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.314 4.137 5.001 1.00 0.00 H new ATOM 0 HH TYR A 105 12.337 2.825 3.637 1.00 0.00 H new ATOM 1660 N GLY A 106 10.748 11.498 3.618 1.00 0.00 N ATOM 1661 CA GLY A 106 10.154 12.825 3.642 1.00 0.00 C ATOM 1662 C GLY A 106 8.661 12.763 3.313 1.00 0.00 C ATOM 1663 O GLY A 106 8.208 13.382 2.351 1.00 0.00 O ATOM 0 H GLY A 106 10.603 10.981 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.295 13.273 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.662 13.468 2.923 1.00 0.00 H new ATOM 1667 N LEU A 107 7.938 12.010 4.129 1.00 0.00 N ATOM 1668 CA LEU A 107 6.506 11.860 3.936 1.00 0.00 C ATOM 1669 C LEU A 107 5.766 12.799 4.891 1.00 0.00 C ATOM 1670 O LEU A 107 4.697 13.310 4.561 1.00 0.00 O ATOM 1671 CB LEU A 107 6.097 10.392 4.078 1.00 0.00 C ATOM 1672 CG LEU A 107 6.188 9.545 2.808 1.00 0.00 C ATOM 1673 CD1 LEU A 107 6.482 8.082 3.145 1.00 0.00 C ATOM 1674 CD2 LEU A 107 4.926 9.695 1.957 1.00 0.00 C ATOM 0 H LEU A 107 8.317 11.497 4.925 1.00 0.00 H new ATOM 0 HA LEU A 107 6.226 12.149 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.724 9.933 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.071 10.355 4.443 1.00 0.00 H new ATOM 0 HG LEU A 107 7.023 9.912 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.542 7.501 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.430 8.015 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.684 7.686 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.017 9.082 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.059 9.370 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.802 10.740 1.672 1.00 0.00 H new ATOM 1686 N GLU A 108 6.365 12.999 6.056 1.00 0.00 N ATOM 1687 CA GLU A 108 5.776 13.868 7.061 1.00 0.00 C ATOM 1688 C GLU A 108 5.719 15.309 6.549 1.00 0.00 C ATOM 1689 O GLU A 108 4.764 16.033 6.828 1.00 0.00 O ATOM 1690 CB GLU A 108 6.549 13.785 8.379 1.00 0.00 C ATOM 1691 CG GLU A 108 5.759 14.430 9.519 1.00 0.00 C ATOM 1692 CD GLU A 108 6.308 15.820 9.848 1.00 0.00 C ATOM 1693 OE1 GLU A 108 7.546 15.975 9.770 1.00 0.00 O ATOM 1694 OE2 GLU A 108 5.477 16.697 10.170 1.00 0.00 O ATOM 0 H GLU A 108 7.252 12.574 6.326 1.00 0.00 H new ATOM 0 HA GLU A 108 4.758 13.530 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.755 12.742 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.512 14.283 8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.708 14.507 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.808 13.796 10.405 1.00 0.00 H new ATOM 1701 N GLU A 109 6.752 15.682 5.809 1.00 0.00 N ATOM 1702 CA GLU A 109 6.831 17.023 5.255 1.00 0.00 C ATOM 1703 C GLU A 109 5.516 17.391 4.567 1.00 0.00 C ATOM 1704 O GLU A 109 5.195 18.570 4.423 1.00 0.00 O ATOM 1705 CB GLU A 109 8.010 17.148 4.288 1.00 0.00 C ATOM 1706 CG GLU A 109 9.331 17.284 5.049 1.00 0.00 C ATOM 1707 CD GLU A 109 10.288 18.231 4.321 1.00 0.00 C ATOM 1708 OE1 GLU A 109 10.426 18.062 3.090 1.00 0.00 O ATOM 1709 OE2 GLU A 109 10.860 19.101 5.011 1.00 0.00 O ATOM 0 H GLU A 109 7.542 15.079 5.580 1.00 0.00 H new ATOM 0 HA GLU A 109 6.999 17.724 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.048 16.272 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.866 18.015 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 109 9.139 17.658 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.795 16.304 5.157 1.00 0.00 H new ATOM 1716 N PHE A 110 4.789 16.361 4.159 1.00 0.00 N ATOM 1717 CA PHE A 110 3.516 16.562 3.490 1.00 0.00 C ATOM 1718 C PHE A 110 2.348 16.229 4.420 1.00 0.00 C ATOM 1719 O PHE A 110 1.404 17.008 4.541 1.00 0.00 O ATOM 1720 CB PHE A 110 3.485 15.610 2.292 1.00 0.00 C ATOM 1721 CG PHE A 110 4.562 15.895 1.243 1.00 0.00 C ATOM 1722 CD1 PHE A 110 4.450 16.980 0.431 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.631 15.063 1.122 1.00 0.00 C ATOM 1724 CE1 PHE A 110 5.449 17.245 -0.542 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.630 15.327 0.148 1.00 0.00 C ATOM 1726 CZ PHE A 110 6.518 16.413 -0.663 1.00 0.00 C ATOM 0 H PHE A 110 5.058 15.384 4.279 1.00 0.00 H new ATOM 0 HA PHE A 110 3.417 17.604 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 110 3.603 14.587 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.505 15.671 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.601 17.640 0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 110 5.720 14.201 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.360 18.107 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.478 14.666 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 110 7.278 16.615 -1.403 1.00 0.00 H new ATOM 1736 N PHE A 111 2.450 15.070 5.054 1.00 0.00 N ATOM 1737 CA PHE A 111 1.414 14.624 5.971 1.00 0.00 C ATOM 1738 C PHE A 111 1.718 15.073 7.402 1.00 0.00 C ATOM 1739 O PHE A 111 2.727 14.675 7.980 1.00 0.00 O ATOM 1740 CB PHE A 111 1.401 13.095 5.921 1.00 0.00 C ATOM 1741 CG PHE A 111 1.051 12.520 4.547 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.156 12.791 3.983 1.00 0.00 C ATOM 1743 CD2 PHE A 111 1.949 11.738 3.889 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.481 12.258 2.708 1.00 0.00 C ATOM 1745 CE2 PHE A 111 1.624 11.205 2.613 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.417 11.476 2.050 1.00 0.00 C ATOM 0 H PHE A 111 3.234 14.426 4.951 1.00 0.00 H new ATOM 0 HA PHE A 111 0.453 15.049 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.381 12.724 6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.683 12.724 6.652 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.868 13.412 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.908 11.523 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.440 12.473 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.336 10.584 2.090 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.171 11.070 1.080 1.00 0.00 H new ATOM 1756 N THR A 112 0.825 15.897 7.931 1.00 0.00 N ATOM 1757 CA THR A 112 0.984 16.404 9.283 1.00 0.00 C ATOM 1758 C THR A 112 1.181 15.249 10.267 1.00 0.00 C ATOM 1759 O THR A 112 0.891 14.098 9.944 1.00 0.00 O ATOM 1760 CB THR A 112 -0.230 17.278 9.607 1.00 0.00 C ATOM 1761 OG1 THR A 112 -1.319 16.603 8.982 1.00 0.00 O ATOM 1762 CG2 THR A 112 -0.179 18.635 8.902 1.00 0.00 C ATOM 0 H THR A 112 -0.011 16.226 7.448 1.00 0.00 H new ATOM 0 HA THR A 112 1.879 17.020 9.371 1.00 0.00 H new ATOM 0 HB THR A 112 -0.291 17.431 10.685 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.148 17.100 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.063 19.215 9.166 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.715 19.174 9.214 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.153 18.484 7.823 1.00 0.00 H new ATOM 1770 N PRO A 113 1.685 15.605 11.479 1.00 0.00 N ATOM 1771 CA PRO A 113 1.924 14.612 12.511 1.00 0.00 C ATOM 1772 C PRO A 113 0.610 14.160 13.152 1.00 0.00 C ATOM 1773 O PRO A 113 0.542 13.085 13.746 1.00 0.00 O ATOM 1774 CB PRO A 113 2.865 15.286 13.496 1.00 0.00 C ATOM 1775 CG PRO A 113 2.749 16.778 13.228 1.00 0.00 C ATOM 1776 CD PRO A 113 2.040 16.959 11.896 1.00 0.00 C ATOM 0 HA PRO A 113 2.368 13.697 12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.588 15.051 14.524 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.890 14.942 13.355 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.191 17.267 14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 113 3.736 17.239 13.200 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.155 17.586 12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.688 17.442 11.165 1.00 0.00 H new ATOM 1784 N LEU A 114 -0.401 15.005 13.011 1.00 0.00 N ATOM 1785 CA LEU A 114 -1.709 14.707 13.569 1.00 0.00 C ATOM 1786 C LEU A 114 -2.442 13.732 12.646 1.00 0.00 C ATOM 1787 O LEU A 114 -2.947 12.705 13.097 1.00 0.00 O ATOM 1788 CB LEU A 114 -2.483 15.998 13.840 1.00 0.00 C ATOM 1789 CG LEU A 114 -2.710 16.348 15.312 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -3.446 15.219 16.037 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -1.392 16.707 16.000 1.00 0.00 C ATOM 0 H LEU A 114 -0.340 15.896 12.518 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.607 14.215 14.536 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.950 16.824 13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.454 15.925 13.350 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.348 17.230 15.358 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.595 15.493 17.081 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.414 15.053 15.564 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.854 14.305 15.983 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.582 16.952 17.045 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.710 15.859 15.944 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.944 17.567 15.502 1.00 0.00 H new ATOM 1803 N ARG A 115 -2.478 14.088 11.370 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.141 13.258 10.379 1.00 0.00 C ATOM 1805 C ARG A 115 -2.434 11.906 10.261 1.00 0.00 C ATOM 1806 O ARG A 115 -3.085 10.867 10.166 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.156 13.940 9.010 1.00 0.00 C ATOM 1808 CG ARG A 115 -4.482 14.665 8.773 1.00 0.00 C ATOM 1809 CD ARG A 115 -5.040 14.347 7.385 1.00 0.00 C ATOM 1810 NE ARG A 115 -6.057 15.354 7.005 1.00 0.00 N ATOM 1811 CZ ARG A 115 -5.780 16.638 6.742 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -4.517 17.080 6.815 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -6.766 17.480 6.405 1.00 0.00 N ATOM 0 H ARG A 115 -2.058 14.941 11.000 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.169 13.107 10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -2.332 14.651 8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -2.999 13.197 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.203 14.370 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.335 15.741 8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.233 14.339 6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.483 13.351 7.382 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.029 15.051 6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.766 16.439 7.071 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.306 18.058 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.727 17.143 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.556 18.458 6.205 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.110 11.964 10.269 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.308 10.757 10.164 1.00 0.00 C ATOM 1829 C LEU A 116 -0.867 9.693 11.110 1.00 0.00 C ATOM 1830 O LEU A 116 -1.106 8.558 10.702 1.00 0.00 O ATOM 1831 CB LEU A 116 1.170 11.074 10.400 1.00 0.00 C ATOM 1832 CG LEU A 116 1.975 11.481 9.164 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.323 12.085 9.561 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.136 10.302 8.202 1.00 0.00 C ATOM 0 H LEU A 116 -0.573 12.828 10.347 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.366 10.348 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.236 11.878 11.133 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.642 10.198 10.844 1.00 0.00 H new ATOM 0 HG LEU A 116 1.419 12.255 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.875 12.365 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.158 12.969 10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.898 11.351 10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.712 10.618 7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.658 9.489 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.153 9.958 7.881 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.061 10.099 12.357 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.588 9.195 13.364 1.00 0.00 C ATOM 1848 C ARG A 117 -2.860 8.514 12.854 1.00 0.00 C ATOM 1849 O ARG A 117 -3.138 7.369 13.205 1.00 0.00 O ATOM 1850 CB ARG A 117 -1.903 9.940 14.663 1.00 0.00 C ATOM 1851 CG ARG A 117 -0.619 10.301 15.413 1.00 0.00 C ATOM 1852 CD ARG A 117 -0.852 10.313 16.925 1.00 0.00 C ATOM 1853 NE ARG A 117 0.443 10.401 17.636 1.00 0.00 N ATOM 1854 CZ ARG A 117 0.572 10.772 18.918 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -0.513 11.090 19.636 1.00 0.00 N ATOM 1856 NH2 ARG A 117 1.787 10.823 19.481 1.00 0.00 N ATOM 0 H ARG A 117 -0.862 11.042 12.692 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.825 8.443 13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.465 10.847 14.439 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.537 9.320 15.297 1.00 0.00 H new ATOM 0 HG2 ARG A 117 0.164 9.583 15.168 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -0.267 11.280 15.088 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.484 11.158 17.197 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.381 9.409 17.227 1.00 0.00 H new ATOM 0 HE ARG A 117 1.290 10.165 17.119 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.438 11.050 19.208 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.414 11.372 20.611 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.613 10.580 18.934 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.886 11.105 20.456 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.597 9.248 12.034 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.832 8.730 11.472 1.00 0.00 C ATOM 1872 C GLY A 118 -4.561 7.929 10.196 1.00 0.00 C ATOM 1873 O GLY A 118 -5.399 7.138 9.766 1.00 0.00 O ATOM 0 H GLY A 118 -3.362 10.198 11.745 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.331 8.096 12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.509 9.555 11.251 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.387 8.163 9.628 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.995 7.473 8.411 1.00 0.00 C ATOM 1879 C LEU A 119 -2.360 6.129 8.773 1.00 0.00 C ATOM 1880 O LEU A 119 -2.796 5.083 8.295 1.00 0.00 O ATOM 1881 CB LEU A 119 -2.096 8.367 7.554 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.791 9.135 6.429 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -1.778 9.918 5.591 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -3.643 8.198 5.570 1.00 0.00 C ATOM 0 H LEU A 119 -2.695 8.820 9.988 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.870 7.257 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.603 9.087 8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.314 7.748 7.115 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.466 9.862 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -2.299 10.455 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.253 10.630 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.059 9.227 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.126 8.770 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.007 7.431 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.403 7.725 6.192 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.340 6.201 9.615 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.640 5.003 10.048 1.00 0.00 C ATOM 1898 C GLU A 120 -1.638 3.879 10.331 1.00 0.00 C ATOM 1899 O GLU A 120 -1.399 2.727 9.972 1.00 0.00 O ATOM 1900 CB GLU A 120 0.228 5.288 11.275 1.00 0.00 C ATOM 1901 CG GLU A 120 1.213 6.425 10.997 1.00 0.00 C ATOM 1902 CD GLU A 120 1.750 6.349 9.566 1.00 0.00 C ATOM 1903 OE1 GLU A 120 2.329 5.293 9.233 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.569 7.349 8.839 1.00 0.00 O ATOM 0 H GLU A 120 -0.981 7.071 10.009 1.00 0.00 H new ATOM 0 HA GLU A 120 0.021 4.681 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.407 5.551 12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.775 4.388 11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.720 7.384 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.042 6.374 11.703 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.735 4.253 10.973 1.00 0.00 N ATOM 1912 CA ALA A 121 -3.771 3.290 11.309 1.00 0.00 C ATOM 1913 C ALA A 121 -3.982 2.342 10.127 1.00 0.00 C ATOM 1914 O ALA A 121 -3.985 1.124 10.296 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.051 4.032 11.698 1.00 0.00 C ATOM 0 H ALA A 121 -2.929 5.209 11.270 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.471 2.687 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.828 3.310 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.854 4.669 12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.384 4.646 10.861 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.155 2.937 8.956 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.367 2.161 7.746 1.00 0.00 C ATOM 1923 C ALA A 122 -3.518 0.889 7.806 1.00 0.00 C ATOM 1924 O ALA A 122 -4.018 -0.207 7.556 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.041 3.021 6.523 1.00 0.00 C ATOM 0 H ALA A 122 -4.153 3.948 8.819 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.411 1.858 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.200 2.438 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.690 3.897 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.000 3.341 6.570 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.250 1.077 8.138 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.327 -0.041 8.234 1.00 0.00 C ATOM 1933 C LEU A 123 -1.740 -0.938 9.403 1.00 0.00 C ATOM 1934 O LEU A 123 -2.175 -2.070 9.199 1.00 0.00 O ATOM 1935 CB LEU A 123 0.116 0.460 8.323 1.00 0.00 C ATOM 1936 CG LEU A 123 1.182 -0.607 8.575 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.386 -1.481 7.336 1.00 0.00 C ATOM 1938 CD2 LEU A 123 2.491 0.027 9.050 1.00 0.00 C ATOM 0 H LEU A 123 -1.839 1.988 8.344 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.372 -0.651 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.359 0.975 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.174 1.199 9.122 1.00 0.00 H new ATOM 0 HG LEU A 123 0.831 -1.259 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.149 -2.232 7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.449 -1.976 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.705 -0.859 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.232 -0.754 9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.859 0.715 8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.316 0.572 9.978 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.587 -0.398 10.604 1.00 0.00 N ATOM 1951 CA LEU A 124 -1.938 -1.136 11.806 1.00 0.00 C ATOM 1952 C LEU A 124 -3.243 -1.898 11.568 1.00 0.00 C ATOM 1953 O LEU A 124 -3.316 -3.102 11.812 1.00 0.00 O ATOM 1954 CB LEU A 124 -1.985 -0.199 13.015 1.00 0.00 C ATOM 1955 CG LEU A 124 -0.681 0.528 13.351 1.00 0.00 C ATOM 1956 CD1 LEU A 124 0.528 -0.379 13.116 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -0.571 1.843 12.577 1.00 0.00 C ATOM 0 H LEU A 124 -1.225 0.541 10.770 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.172 -1.877 12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.760 0.548 12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.290 -0.778 13.887 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.693 0.779 14.412 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.442 0.162 13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.448 -1.263 13.748 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.557 -0.683 12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.365 2.339 12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.591 1.638 11.507 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.409 2.490 12.838 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.241 -1.167 11.095 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.540 -1.759 10.822 1.00 0.00 C ATOM 1971 C ARG A 125 -5.394 -2.930 9.848 1.00 0.00 C ATOM 1972 O ARG A 125 -5.650 -4.078 10.210 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.502 -0.728 10.229 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.913 -0.906 10.794 1.00 0.00 C ATOM 1975 CD ARG A 125 -8.784 0.314 10.487 1.00 0.00 C ATOM 1976 NE ARG A 125 -9.890 0.405 11.466 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.717 0.629 12.776 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -8.482 0.785 13.272 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -10.779 0.695 13.590 1.00 0.00 N ATOM 0 H ARG A 125 -4.177 -0.169 10.894 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.947 -2.116 11.768 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.143 0.278 10.448 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -6.525 -0.829 9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.369 -1.800 10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.861 -1.058 11.872 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.180 1.221 10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.187 0.239 9.477 1.00 0.00 H new ATOM 0 HE ARG A 125 -10.843 0.290 11.122 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.673 0.733 12.653 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.351 0.955 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -11.719 0.575 13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.648 0.865 14.587 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.984 -2.600 8.633 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.801 -3.610 7.604 1.00 0.00 C ATOM 1995 C LEU A 126 -4.049 -4.804 8.196 1.00 0.00 C ATOM 1996 O LEU A 126 -4.528 -5.935 8.137 1.00 0.00 O ATOM 1997 CB LEU A 126 -4.124 -3.005 6.373 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.935 -1.957 5.609 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -4.015 -1.006 4.840 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.966 -2.621 4.694 1.00 0.00 C ATOM 0 H LEU A 126 -4.773 -1.647 8.337 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.766 -3.980 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.184 -2.551 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.874 -3.814 5.686 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.486 -1.357 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.617 -0.271 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.354 -0.494 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.418 -1.575 4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.529 -1.853 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.455 -3.260 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.650 -3.223 5.293 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.883 -4.511 8.753 1.00 0.00 N ATOM 2013 CA GLN A 127 -2.060 -5.546 9.355 1.00 0.00 C ATOM 2014 C GLN A 127 -2.900 -6.413 10.295 1.00 0.00 C ATOM 2015 O GLN A 127 -2.670 -7.616 10.407 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.865 -4.937 10.092 1.00 0.00 C ATOM 2017 CG GLN A 127 0.183 -4.419 9.105 1.00 0.00 C ATOM 2018 CD GLN A 127 1.373 -3.803 9.842 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.230 -3.105 10.832 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.554 -4.098 9.305 1.00 0.00 N ATOM 0 H GLN A 127 -2.489 -3.571 8.800 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.669 -6.181 8.559 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.204 -4.120 10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.416 -5.686 10.745 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.527 -5.237 8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.267 -3.675 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.604 -4.689 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.410 -3.734 9.723 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.857 -5.768 10.946 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.733 -6.465 11.872 1.00 0.00 C ATOM 2031 C ALA A 128 -5.588 -7.471 11.100 1.00 0.00 C ATOM 2032 O ALA A 128 -5.919 -8.537 11.617 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.579 -5.447 12.639 1.00 0.00 C ATOM 0 H ALA A 128 -4.045 -4.770 10.850 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.150 -7.023 12.605 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.236 -5.970 13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.925 -4.775 13.194 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.180 -4.870 11.936 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.922 -7.097 9.873 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.733 -7.953 9.024 1.00 0.00 C ATOM 2041 C GLN A 129 -5.881 -9.083 8.442 1.00 0.00 C ATOM 2042 O GLN A 129 -6.297 -10.240 8.439 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.405 -7.145 7.912 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.506 -6.246 8.478 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.628 -6.045 7.457 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.022 -4.782 7.327 1.00 0.00 O flip ATOM 2047 NE2 GLN A 129 -10.104 -6.976 6.828 1.00 0.00 N flip ATOM 0 H GLN A 129 -5.645 -6.213 9.447 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.521 -8.395 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.661 -6.536 7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.829 -7.822 7.170 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.912 -6.690 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.085 -5.280 8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.755 -7.923 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.851 -6.807 6.154 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.704 -8.708 7.964 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.790 -9.675 7.381 1.00 0.00 C ATOM 2058 C VAL A 130 -3.518 -10.788 8.394 1.00 0.00 C ATOM 2059 O VAL A 130 -3.640 -11.969 8.073 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.516 -8.972 6.908 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.538 -9.971 6.285 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.843 -7.843 5.930 1.00 0.00 C ATOM 0 H VAL A 130 -4.362 -7.747 7.969 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.235 -10.139 6.501 1.00 0.00 H new ATOM 0 HB VAL A 130 -2.034 -8.530 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.641 -9.446 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.267 -10.725 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.008 -10.455 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.920 -7.360 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.359 -8.252 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.484 -7.111 6.421 1.00 0.00 H new ATOM 2072 N ARG A 131 -3.154 -10.373 9.599 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.863 -11.320 10.661 1.00 0.00 C ATOM 2074 C ARG A 131 -3.932 -12.414 10.704 1.00 0.00 C ATOM 2075 O ARG A 131 -3.634 -13.566 11.016 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.805 -10.621 12.021 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.517 -9.808 12.165 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.720 -8.622 13.110 1.00 0.00 C ATOM 2079 NE ARG A 131 -0.664 -8.616 14.147 1.00 0.00 N ATOM 2080 CZ ARG A 131 -0.566 -7.692 15.113 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -1.458 -6.694 15.180 1.00 0.00 N ATOM 2082 NH2 ARG A 131 0.425 -7.765 16.012 1.00 0.00 N ATOM 0 H ARG A 131 -3.054 -9.393 9.863 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.890 -11.765 10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.668 -9.965 12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.862 -11.363 12.818 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.720 -10.447 12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -1.199 -9.448 11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -1.694 -7.689 12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.702 -8.684 13.579 1.00 0.00 H new ATOM 0 HE ARG A 131 0.032 -9.361 14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -2.212 -6.637 14.496 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -1.383 -5.991 15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 131 1.105 -8.524 15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 131 0.500 -7.062 16.747 1.00 0.00 H new ATOM 2096 N LYS A 132 -5.154 -12.016 10.384 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.269 -12.948 10.382 1.00 0.00 C ATOM 2098 C LYS A 132 -6.019 -14.031 9.330 1.00 0.00 C ATOM 2099 O LYS A 132 -6.282 -15.209 9.572 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.591 -12.202 10.195 1.00 0.00 C ATOM 2101 CG LYS A 132 -7.623 -10.923 11.034 1.00 0.00 C ATOM 2102 CD LYS A 132 -7.121 -11.187 12.455 1.00 0.00 C ATOM 2103 CE LYS A 132 -8.059 -12.141 13.199 1.00 0.00 C ATOM 2104 NZ LYS A 132 -9.317 -11.451 13.563 1.00 0.00 N ATOM 0 H LYS A 132 -5.397 -11.060 10.124 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.348 -13.451 11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.727 -11.954 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -8.421 -12.849 10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -7.005 -10.159 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -8.640 -10.533 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -6.118 -11.613 12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.047 -10.246 12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -8.279 -13.006 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -7.569 -12.515 14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -9.876 -12.059 14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.095 -10.558 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -9.865 -11.251 12.702 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.516 -13.595 8.185 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.229 -14.512 7.096 1.00 0.00 C ATOM 2120 C ALA A 133 -4.245 -15.580 7.580 1.00 0.00 C ATOM 2121 O ALA A 133 -4.331 -16.738 7.174 1.00 0.00 O ATOM 2122 CB ALA A 133 -4.694 -13.728 5.896 1.00 0.00 C ATOM 0 H ALA A 133 -5.300 -12.618 7.988 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.137 -15.022 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -4.479 -14.416 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -5.441 -13.003 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.781 -13.205 6.181 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.334 -15.152 8.441 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.335 -16.057 8.985 1.00 0.00 C ATOM 2130 C LEU A 134 -3.036 -17.253 9.633 1.00 0.00 C ATOM 2131 O LEU A 134 -2.611 -18.394 9.460 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.394 -15.310 9.931 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.690 -14.083 9.347 1.00 0.00 C ATOM 2134 CD1 LEU A 134 0.413 -13.586 10.282 1.00 0.00 C ATOM 2135 CD2 LEU A 134 -0.162 -14.372 7.940 1.00 0.00 C ATOM 0 H LEU A 134 -3.266 -14.191 8.776 1.00 0.00 H new ATOM 0 HA LEU A 134 -1.703 -16.450 8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.964 -14.995 10.805 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.634 -16.008 10.281 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.422 -13.280 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.897 -12.714 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.021 -13.314 11.244 1.00 0.00 H new ATOM 0 HD13 LEU A 134 1.151 -14.375 10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 134 0.334 -13.484 7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 134 0.550 -15.197 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -0.993 -14.641 7.288 1.00 0.00 H new ATOM 2147 N THR A 135 -4.098 -16.950 10.365 1.00 0.00 N ATOM 2148 CA THR A 135 -4.862 -17.986 11.039 1.00 0.00 C ATOM 2149 C THR A 135 -6.173 -18.251 10.297 1.00 0.00 C ATOM 2150 O THR A 135 -7.097 -18.843 10.852 1.00 0.00 O ATOM 2151 CB THR A 135 -5.064 -17.554 12.493 1.00 0.00 C ATOM 2152 OG1 THR A 135 -5.763 -16.317 12.394 1.00 0.00 O ATOM 2153 CG2 THR A 135 -3.748 -17.185 13.182 1.00 0.00 C ATOM 0 H THR A 135 -4.447 -16.002 10.506 1.00 0.00 H new ATOM 0 HA THR A 135 -4.327 -18.936 11.038 1.00 0.00 H new ATOM 0 HB THR A 135 -5.551 -18.357 13.046 1.00 0.00 H new ATOM 0 HG1 THR A 135 -5.937 -15.967 13.293 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.947 -16.886 14.211 1.00 0.00 H new ATOM 0 HG22 THR A 135 -3.081 -18.047 13.178 1.00 0.00 H new ATOM 0 HG23 THR A 135 -3.277 -16.359 12.649 1.00 0.00 H new ATOM 2161 N SER A 136 -6.213 -17.800 9.051 1.00 0.00 N ATOM 2162 CA SER A 136 -7.395 -17.980 8.227 1.00 0.00 C ATOM 2163 C SER A 136 -8.574 -17.210 8.826 1.00 0.00 C ATOM 2164 O SER A 136 -9.561 -16.947 8.141 1.00 0.00 O ATOM 2165 CB SER A 136 -7.747 -19.462 8.086 1.00 0.00 C ATOM 2166 OG SER A 136 -8.401 -19.741 6.851 1.00 0.00 O ATOM 0 H SER A 136 -5.445 -17.310 8.593 1.00 0.00 H new ATOM 0 HA SER A 136 -7.181 -17.588 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.838 -20.059 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.391 -19.762 8.913 1.00 0.00 H new ATOM 0 HG SER A 136 -8.607 -20.698 6.799 1.00 0.00 H new TER 2172 SER A 136