USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -132:sc= 0.959 USER MOD Set 1.2: B 131 THR OG1 : rot -173:sc= 1.5 USER MOD Set 2.1: A 11 SER OG : rot 35:sc= 1.01 USER MOD Set 2.2: B 102 LYS NZ :NH3+ 162:sc= 0.243! (180deg=-0.012) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.891 K(o=1.3,f=-17!) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -113:sc= 0.427! (180deg=0) USER MOD Set 4.1: A 3 GLN : amide:sc= 0.173 X(o=-0.86,f=-1.2) USER MOD Set 4.2: B 114 TYR OH : rot 80:sc= -1.03! USER MOD Set 4.3: B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -143:sc= -2.16! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 13 SER OG : rot 47:sc= 1.2 USER MOD Single : A 14 TYR OH : rot 130:sc= -2.5! USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.466 K(o=-0.47,f=-3.5!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.413 USER MOD Single : A 29 SER OG : rot -132:sc= 0.91 USER MOD Single : A 30 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 32 MET CE :methyl 178:sc= -15.9! (180deg=-16.1!) USER MOD Single : A 33 GLN : amide:sc= 0.471! C(o=0.47!,f=-11!) USER MOD Single : A 34 ASN : amide:sc= -0.865 X(o=-0.86,f=-0.81) USER MOD Single : B 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 106 THR OG1 : rot -130:sc= -2.99! USER MOD Single : B 108 THR OG1 : rot 55:sc= 0.939 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 136:sc= 0.185 USER MOD Single : B 115 GLN : amide:sc= -1.88! X(o=-1.9!,f=-1.6) USER MOD Single : B 120 TYR OH : rot 150:sc= -2.33 USER MOD Single : B 123 ASN : amide:sc= -0.686 K(o=-0.69,f=-2.9!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -120:sc= -1.68! USER MOD Single : B 130 THR OG1 : rot 68:sc= 1.05 USER MOD Single : B 132 MET CE :methyl -123:sc= -21.2! (180deg=-29!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.0471 X(o=-0.047,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.640 -10.062 13.724 1.00 0.00 N ATOM 21 CA LYS A 2 4.247 -9.358 12.500 1.00 0.00 C ATOM 22 C LYS A 2 3.169 -10.133 11.747 1.00 0.00 C ATOM 23 O LYS A 2 3.177 -11.366 11.730 1.00 0.00 O ATOM 24 CB LYS A 2 5.451 -9.134 11.578 1.00 0.00 C ATOM 25 CG LYS A 2 6.376 -10.340 11.463 1.00 0.00 C ATOM 26 CD LYS A 2 6.720 -10.645 10.012 1.00 0.00 C ATOM 27 CE LYS A 2 7.886 -9.801 9.524 1.00 0.00 C ATOM 28 NZ LYS A 2 9.182 -10.529 9.643 1.00 0.00 N ATOM 0 HA LYS A 2 3.847 -8.389 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.090 -8.869 10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.024 -8.283 11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.292 -10.152 12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.899 -11.210 11.915 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.967 -11.702 9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.848 -10.460 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.721 -9.519 8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.933 -8.877 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.954 -9.922 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.351 -10.776 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.146 -11.398 9.072 1.00 0.00 H new ATOM 42 N GLN A 3 2.248 -9.403 11.123 1.00 0.00 N ATOM 43 CA GLN A 3 1.166 -10.021 10.359 1.00 0.00 C ATOM 44 C GLN A 3 1.292 -9.696 8.901 1.00 0.00 C ATOM 45 O GLN A 3 1.409 -8.532 8.521 1.00 0.00 O ATOM 46 CB GLN A 3 -0.215 -9.559 10.860 1.00 0.00 C ATOM 47 CG GLN A 3 -1.356 -9.822 9.879 1.00 0.00 C ATOM 48 CD GLN A 3 -2.228 -10.991 10.285 1.00 0.00 C ATOM 49 OE1 GLN A 3 -1.731 -12.038 10.685 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.534 -10.820 10.172 1.00 0.00 N ATOM 0 H GLN A 3 2.229 -8.383 11.131 1.00 0.00 H new ATOM 0 HA GLN A 3 1.249 -11.098 10.502 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.436 -10.064 11.801 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.173 -8.491 11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.972 -8.927 9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.940 -10.012 8.890 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.905 -9.932 9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.171 -11.576 10.422 1.00 0.00 H new ATOM 59 N ARG A 4 1.239 -10.732 8.084 1.00 0.00 N ATOM 60 CA ARG A 4 1.332 -10.559 6.660 1.00 0.00 C ATOM 61 C ARG A 4 -0.004 -10.080 6.113 1.00 0.00 C ATOM 62 O ARG A 4 -0.926 -10.870 5.888 1.00 0.00 O ATOM 63 CB ARG A 4 1.729 -11.875 6.008 1.00 0.00 C ATOM 64 CG ARG A 4 2.473 -11.691 4.709 1.00 0.00 C ATOM 65 CD ARG A 4 2.585 -12.999 3.962 1.00 0.00 C ATOM 66 NE ARG A 4 1.307 -13.372 3.349 1.00 0.00 N ATOM 67 CZ ARG A 4 1.060 -13.383 2.044 1.00 0.00 C ATOM 68 NH1 ARG A 4 1.993 -13.059 1.170 1.00 0.00 N ATOM 69 NH2 ARG A 4 -0.130 -13.728 1.616 1.00 0.00 N ATOM 0 H ARG A 4 1.132 -11.699 8.390 1.00 0.00 H new ATOM 0 HA ARG A 4 2.093 -9.811 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.352 -12.443 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.833 -12.468 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.956 -10.957 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.469 -11.295 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.350 -12.915 3.190 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.906 -13.785 4.646 1.00 0.00 H new ATOM 0 HE ARG A 4 0.548 -13.644 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.924 -12.794 1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.784 -13.074 0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.857 -13.985 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.329 -13.739 0.616 1.00 0.00 H new ATOM 83 N ILE A 5 -0.088 -8.777 5.887 1.00 0.00 N ATOM 84 CA ILE A 5 -1.291 -8.163 5.355 1.00 0.00 C ATOM 85 C ILE A 5 -1.158 -8.055 3.872 1.00 0.00 C ATOM 86 O ILE A 5 -0.288 -7.349 3.379 1.00 0.00 O ATOM 87 CB ILE A 5 -1.551 -6.772 5.975 1.00 0.00 C ATOM 88 CG1 ILE A 5 -0.897 -5.629 5.187 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.033 -6.772 7.401 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.301 -4.260 5.685 1.00 0.00 C ATOM 0 H ILE A 5 0.672 -8.121 6.067 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.145 -8.789 5.612 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.626 -6.593 5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.187 -5.726 5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.166 -5.720 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.210 -5.796 7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.553 -7.537 7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.036 -6.983 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.806 -3.495 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.381 -4.145 5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.008 -4.151 6.729 1.00 0.00 H new ATOM 102 N THR A 6 -1.977 -8.778 3.154 1.00 0.00 N ATOM 103 CA THR A 6 -1.865 -8.746 1.723 1.00 0.00 C ATOM 104 C THR A 6 -3.132 -8.249 1.050 1.00 0.00 C ATOM 105 O THR A 6 -4.211 -8.825 1.198 1.00 0.00 O ATOM 106 CB THR A 6 -1.387 -10.107 1.179 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.166 -10.531 0.083 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.387 -11.226 2.204 1.00 0.00 C ATOM 0 H THR A 6 -2.711 -9.381 3.526 1.00 0.00 H new ATOM 0 HA THR A 6 -1.100 -8.012 1.468 1.00 0.00 H new ATOM 0 HB THR A 6 -0.356 -9.921 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.285 -11.503 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.037 -12.147 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.725 -10.963 3.029 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.399 -11.373 2.583 1.00 0.00 H new ATOM 116 N VAL A 7 -2.955 -7.184 0.269 1.00 0.00 N ATOM 117 CA VAL A 7 -4.020 -6.571 -0.503 1.00 0.00 C ATOM 118 C VAL A 7 -3.910 -7.073 -1.933 1.00 0.00 C ATOM 119 O VAL A 7 -2.993 -6.682 -2.662 1.00 0.00 O ATOM 120 CB VAL A 7 -3.921 -5.012 -0.493 1.00 0.00 C ATOM 121 CG1 VAL A 7 -2.513 -4.542 -0.763 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.882 -4.379 -1.493 1.00 0.00 C ATOM 0 H VAL A 7 -2.053 -6.721 0.157 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.978 -6.841 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.206 -4.689 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.484 -3.452 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.845 -4.933 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.191 -4.900 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.783 -3.294 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.646 -4.731 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.905 -4.659 -1.242 1.00 0.00 H new ATOM 132 N THR A 8 -4.820 -7.951 -2.331 1.00 0.00 N ATOM 133 CA THR A 8 -4.795 -8.490 -3.685 1.00 0.00 C ATOM 134 C THR A 8 -5.186 -7.383 -4.656 1.00 0.00 C ATOM 135 O THR A 8 -6.263 -7.386 -5.252 1.00 0.00 O ATOM 136 CB THR A 8 -5.708 -9.710 -3.800 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.779 -9.639 -2.881 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.988 -11.007 -3.540 1.00 0.00 C ATOM 0 H THR A 8 -5.577 -8.302 -1.744 1.00 0.00 H new ATOM 0 HA THR A 8 -3.791 -8.833 -3.934 1.00 0.00 H new ATOM 0 HB THR A 8 -6.071 -9.696 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.347 -10.432 -2.979 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.688 -11.837 -3.636 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.181 -11.127 -4.263 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.573 -10.997 -2.532 1.00 0.00 H new ATOM 146 N VAL A 9 -4.286 -6.413 -4.745 1.00 0.00 N ATOM 147 CA VAL A 9 -4.447 -5.224 -5.559 1.00 0.00 C ATOM 148 C VAL A 9 -4.312 -5.510 -7.080 1.00 0.00 C ATOM 149 O VAL A 9 -4.831 -6.521 -7.554 1.00 0.00 O ATOM 150 CB VAL A 9 -3.467 -4.146 -5.032 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.023 -4.472 -5.383 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.874 -2.745 -5.471 1.00 0.00 C ATOM 0 H VAL A 9 -3.401 -6.436 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.465 -4.846 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.530 -4.158 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.369 -3.691 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.748 -5.429 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.916 -4.530 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.160 -2.020 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.884 -2.693 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.869 -2.518 -5.088 1.00 0.00 H new ATOM 162 N ASP A 10 -3.685 -4.597 -7.850 1.00 0.00 N ATOM 163 CA ASP A 10 -3.575 -4.727 -9.320 1.00 0.00 C ATOM 164 C ASP A 10 -4.830 -4.121 -9.981 1.00 0.00 C ATOM 165 O ASP A 10 -4.915 -3.978 -11.201 1.00 0.00 O ATOM 166 CB ASP A 10 -3.403 -6.187 -9.743 1.00 0.00 C ATOM 167 CG ASP A 10 -2.810 -6.339 -11.127 1.00 0.00 C ATOM 168 OD1 ASP A 10 -1.584 -6.152 -11.267 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.570 -6.652 -12.068 1.00 0.00 O ATOM 0 H ASP A 10 -3.244 -3.756 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.688 -4.185 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.762 -6.695 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.373 -6.684 -9.713 1.00 0.00 H new ATOM 174 N SER A 11 -5.770 -3.725 -9.120 1.00 0.00 N ATOM 175 CA SER A 11 -7.017 -3.082 -9.514 1.00 0.00 C ATOM 176 C SER A 11 -7.090 -1.720 -8.834 1.00 0.00 C ATOM 177 O SER A 11 -6.929 -0.688 -9.480 1.00 0.00 O ATOM 178 CB SER A 11 -8.223 -3.939 -9.107 1.00 0.00 C ATOM 179 OG SER A 11 -8.946 -4.396 -10.244 1.00 0.00 O ATOM 0 H SER A 11 -5.680 -3.846 -8.111 1.00 0.00 H new ATOM 0 HA SER A 11 -7.041 -2.965 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.882 -4.794 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.884 -3.357 -8.464 1.00 0.00 H new ATOM 0 HG SER A 11 -8.322 -4.575 -10.978 1.00 0.00 H new ATOM 185 N ASP A 12 -7.339 -1.749 -7.521 1.00 0.00 N ATOM 186 CA ASP A 12 -7.449 -0.546 -6.694 1.00 0.00 C ATOM 187 C ASP A 12 -6.527 0.595 -7.173 1.00 0.00 C ATOM 188 O ASP A 12 -6.999 1.550 -7.791 1.00 0.00 O ATOM 189 CB ASP A 12 -7.156 -0.910 -5.231 1.00 0.00 C ATOM 190 CG ASP A 12 -7.783 -2.220 -4.810 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.997 -2.237 -4.541 1.00 0.00 O ATOM 192 OD2 ASP A 12 -7.052 -3.228 -4.754 1.00 0.00 O ATOM 0 H ASP A 12 -7.471 -2.616 -6.999 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.468 -0.169 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.077 -0.967 -5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.523 -0.113 -4.584 1.00 0.00 H new ATOM 197 N SER A 13 -5.217 0.505 -6.871 1.00 0.00 N ATOM 198 CA SER A 13 -4.233 1.545 -7.264 1.00 0.00 C ATOM 199 C SER A 13 -2.897 1.349 -6.529 1.00 0.00 C ATOM 200 O SER A 13 -2.304 2.297 -6.026 1.00 0.00 O ATOM 201 CB SER A 13 -4.770 2.947 -6.958 1.00 0.00 C ATOM 202 OG SER A 13 -5.490 3.467 -8.060 1.00 0.00 O ATOM 0 H SER A 13 -4.811 -0.276 -6.356 1.00 0.00 H new ATOM 0 HA SER A 13 -4.069 1.446 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.417 2.909 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.942 3.612 -6.714 1.00 0.00 H new ATOM 0 HG SER A 13 -6.107 2.785 -8.398 1.00 0.00 H new ATOM 208 N TYR A 14 -2.433 0.108 -6.485 1.00 0.00 N ATOM 209 CA TYR A 14 -1.167 -0.231 -5.823 1.00 0.00 C ATOM 210 C TYR A 14 0.060 -0.036 -6.702 1.00 0.00 C ATOM 211 O TYR A 14 1.083 0.465 -6.239 1.00 0.00 O ATOM 212 CB TYR A 14 -1.186 -1.667 -5.334 1.00 0.00 C ATOM 213 CG TYR A 14 0.167 -2.317 -5.392 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.092 -2.121 -4.387 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.520 -3.109 -6.473 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.331 -2.701 -4.454 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.756 -3.697 -6.547 1.00 0.00 C ATOM 218 CZ TYR A 14 2.664 -3.492 -5.531 1.00 0.00 C ATOM 219 OH TYR A 14 3.907 -4.078 -5.589 1.00 0.00 O ATOM 0 H TYR A 14 -2.913 -0.690 -6.901 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.086 0.464 -4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.553 -1.692 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.887 -2.243 -5.938 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.836 -1.504 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.191 -3.266 -7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.047 -2.538 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.016 -4.315 -7.394 1.00 0.00 H new ATOM 0 HH TYR A 14 3.809 -5.034 -5.783 1.00 0.00 H new ATOM 229 N GLN A 15 -0.009 -0.530 -7.929 1.00 0.00 N ATOM 230 CA GLN A 15 1.144 -0.510 -8.815 1.00 0.00 C ATOM 231 C GLN A 15 1.831 0.855 -8.894 1.00 0.00 C ATOM 232 O GLN A 15 3.049 0.905 -8.932 1.00 0.00 O ATOM 233 CB GLN A 15 0.769 -1.040 -10.196 1.00 0.00 C ATOM 234 CG GLN A 15 -0.044 -2.328 -10.145 1.00 0.00 C ATOM 235 CD GLN A 15 0.511 -3.404 -11.056 1.00 0.00 C ATOM 236 OE1 GLN A 15 1.453 -4.108 -10.694 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.061 -3.537 -12.240 1.00 0.00 N ATOM 0 H GLN A 15 -0.848 -0.948 -8.332 1.00 0.00 H new ATOM 0 HA GLN A 15 1.886 -1.178 -8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.198 -0.279 -10.727 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.679 -1.215 -10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.065 -2.700 -9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.075 -2.114 -10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.840 -2.932 -12.501 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.277 -4.244 -12.893 1.00 0.00 H new ATOM 246 N LEU A 16 1.091 1.961 -8.906 1.00 0.00 N ATOM 247 CA LEU A 16 1.734 3.277 -8.963 1.00 0.00 C ATOM 248 C LEU A 16 2.805 3.432 -7.867 1.00 0.00 C ATOM 249 O LEU A 16 3.963 3.731 -8.155 1.00 0.00 O ATOM 250 CB LEU A 16 0.682 4.375 -8.799 1.00 0.00 C ATOM 251 CG LEU A 16 0.886 5.585 -9.696 1.00 0.00 C ATOM 252 CD1 LEU A 16 -0.264 6.565 -9.547 1.00 0.00 C ATOM 253 CD2 LEU A 16 2.212 6.267 -9.385 1.00 0.00 C ATOM 0 H LEU A 16 0.072 1.978 -8.878 1.00 0.00 H new ATOM 0 HA LEU A 16 2.222 3.367 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.302 3.951 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.679 4.705 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 16 0.910 5.241 -10.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.097 7.423 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.198 6.075 -9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.324 6.901 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.339 7.131 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.218 6.594 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.030 5.565 -9.549 1.00 0.00 H new ATOM 265 N LEU A 17 2.386 3.266 -6.616 1.00 0.00 N ATOM 266 CA LEU A 17 3.320 3.441 -5.492 1.00 0.00 C ATOM 267 C LEU A 17 4.549 2.548 -5.637 1.00 0.00 C ATOM 268 O LEU A 17 5.681 2.985 -5.419 1.00 0.00 O ATOM 269 CB LEU A 17 2.679 3.185 -4.143 1.00 0.00 C ATOM 270 CG LEU A 17 2.899 4.271 -3.072 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.365 3.633 -1.783 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.908 5.329 -3.509 1.00 0.00 C ATOM 0 H LEU A 17 1.433 3.017 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 17 3.622 4.488 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.606 3.061 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.059 2.239 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 17 1.943 4.772 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.519 4.405 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.611 2.929 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.302 3.104 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.025 6.069 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.869 4.855 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.552 5.820 -4.415 1.00 0.00 H new ATOM 284 N LYS A 18 4.321 1.298 -6.007 1.00 0.00 N ATOM 285 CA LYS A 18 5.407 0.340 -6.189 1.00 0.00 C ATOM 286 C LYS A 18 6.145 0.591 -7.498 1.00 0.00 C ATOM 287 O LYS A 18 7.324 0.264 -7.631 1.00 0.00 O ATOM 288 CB LYS A 18 4.873 -1.085 -6.134 1.00 0.00 C ATOM 289 CG LYS A 18 3.956 -1.420 -7.289 1.00 0.00 C ATOM 290 CD LYS A 18 4.430 -2.675 -8.012 1.00 0.00 C ATOM 291 CE LYS A 18 3.909 -2.743 -9.432 1.00 0.00 C ATOM 292 NZ LYS A 18 3.680 -4.153 -9.863 1.00 0.00 N ATOM 0 H LYS A 18 3.391 0.919 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 18 6.119 0.474 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.712 -1.781 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.335 -1.229 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.941 -1.569 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.923 -0.584 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.520 -2.696 -8.024 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.100 -3.556 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.977 -2.183 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.622 -2.267 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.355 -4.400 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.815 -4.790 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.709 -4.253 -10.223 1.00 0.00 H new ATOM 306 N ALA A 19 5.441 1.192 -8.451 1.00 0.00 N ATOM 307 CA ALA A 19 6.013 1.525 -9.753 1.00 0.00 C ATOM 308 C ALA A 19 7.271 2.363 -9.563 1.00 0.00 C ATOM 309 O ALA A 19 8.207 2.290 -10.358 1.00 0.00 O ATOM 310 CB ALA A 19 4.997 2.259 -10.620 1.00 0.00 C ATOM 0 H ALA A 19 4.463 1.461 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 19 6.280 0.602 -10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.446 2.496 -11.584 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.123 1.625 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.694 3.181 -10.124 1.00 0.00 H new ATOM 316 N TYR A 20 7.300 3.124 -8.469 1.00 0.00 N ATOM 317 CA TYR A 20 8.454 3.930 -8.134 1.00 0.00 C ATOM 318 C TYR A 20 9.413 3.069 -7.317 1.00 0.00 C ATOM 319 O TYR A 20 10.605 3.035 -7.620 1.00 0.00 O ATOM 320 CB TYR A 20 8.044 5.184 -7.351 1.00 0.00 C ATOM 321 CG TYR A 20 7.140 6.130 -8.121 1.00 0.00 C ATOM 322 CD1 TYR A 20 7.132 6.150 -9.513 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.290 7.003 -7.452 1.00 0.00 C ATOM 324 CE1 TYR A 20 6.303 7.009 -10.210 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.460 7.861 -8.140 1.00 0.00 C ATOM 326 CZ TYR A 20 5.467 7.862 -9.523 1.00 0.00 C ATOM 327 OH TYR A 20 4.634 8.712 -10.219 1.00 0.00 O ATOM 0 H TYR A 20 6.530 3.193 -7.803 1.00 0.00 H new ATOM 0 HA TYR A 20 8.943 4.271 -9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.536 4.878 -6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.943 5.722 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.784 5.483 -10.057 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.280 7.009 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.311 7.011 -11.290 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.806 8.531 -7.601 1.00 0.00 H new ATOM 0 HH TYR A 20 4.109 9.246 -9.587 1.00 0.00 H new ATOM 337 N ASP A 21 8.845 2.347 -6.316 1.00 0.00 N ATOM 338 CA ASP A 21 9.589 1.413 -5.435 1.00 0.00 C ATOM 339 C ASP A 21 9.131 1.541 -3.978 1.00 0.00 C ATOM 340 O ASP A 21 9.926 1.416 -3.045 1.00 0.00 O ATOM 341 CB ASP A 21 11.108 1.618 -5.514 1.00 0.00 C ATOM 342 CG ASP A 21 11.798 0.587 -6.393 1.00 0.00 C ATOM 343 OD1 ASP A 21 11.289 0.299 -7.500 1.00 0.00 O ATOM 344 OD2 ASP A 21 12.849 0.063 -5.971 1.00 0.00 O ATOM 0 H ASP A 21 7.850 2.398 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 21 9.364 0.410 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.315 2.616 -5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.529 1.572 -4.510 1.00 0.00 H new ATOM 349 N VAL A 22 7.846 1.802 -3.782 1.00 0.00 N ATOM 350 CA VAL A 22 7.295 1.972 -2.450 1.00 0.00 C ATOM 351 C VAL A 22 6.272 0.889 -2.115 1.00 0.00 C ATOM 352 O VAL A 22 5.064 1.123 -2.156 1.00 0.00 O ATOM 353 CB VAL A 22 6.646 3.369 -2.337 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.278 3.679 -0.896 1.00 0.00 C ATOM 355 CG2 VAL A 22 7.566 4.452 -2.901 1.00 0.00 C ATOM 0 H VAL A 22 7.165 1.901 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 22 8.111 1.882 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 22 5.732 3.360 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.823 4.668 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.571 2.933 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.176 3.659 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.083 5.425 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.504 4.458 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.768 4.246 -3.952 1.00 0.00 H new ATOM 365 N ASN A 23 6.762 -0.308 -1.800 1.00 0.00 N ATOM 366 CA ASN A 23 5.882 -1.435 -1.468 1.00 0.00 C ATOM 367 C ASN A 23 5.130 -1.237 -0.144 1.00 0.00 C ATOM 368 O ASN A 23 5.030 -2.165 0.654 1.00 0.00 O ATOM 369 CB ASN A 23 6.656 -2.743 -1.402 1.00 0.00 C ATOM 370 CG ASN A 23 7.925 -2.637 -0.569 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.924 -2.068 0.522 1.00 0.00 O ATOM 372 ND2 ASN A 23 9.019 -3.176 -1.085 1.00 0.00 N ATOM 0 H ASN A 23 7.758 -0.526 -1.767 1.00 0.00 H new ATOM 0 HA ASN A 23 5.149 -1.479 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.015 -3.518 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.916 -3.057 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.901 -3.128 -0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.980 -3.640 -1.993 1.00 0.00 H new ATOM 379 N ILE A 24 4.594 -0.033 0.052 1.00 0.00 N ATOM 380 CA ILE A 24 3.804 0.379 1.207 1.00 0.00 C ATOM 381 C ILE A 24 4.240 -0.116 2.592 1.00 0.00 C ATOM 382 O ILE A 24 3.550 0.177 3.566 1.00 0.00 O ATOM 383 CB ILE A 24 2.338 0.039 1.003 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.175 -0.975 -0.096 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.519 1.276 0.711 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.504 -2.329 0.396 1.00 0.00 C ATOM 0 H ILE A 24 4.706 0.719 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 24 3.985 1.453 1.237 1.00 0.00 H new ATOM 0 HB ILE A 24 1.967 -0.394 1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.150 -0.956 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.823 -0.719 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.475 0.996 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.599 1.971 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.892 1.754 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.381 -3.050 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.536 -2.348 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.838 -2.589 1.219 1.00 0.00 H new ATOM 398 N SER A 25 5.323 -0.877 2.693 1.00 0.00 N ATOM 399 CA SER A 25 5.761 -1.415 3.981 1.00 0.00 C ATOM 400 C SER A 25 5.558 -0.387 5.101 1.00 0.00 C ATOM 401 O SER A 25 4.733 -0.590 6.010 1.00 0.00 O ATOM 402 CB SER A 25 7.232 -1.830 3.869 1.00 0.00 C ATOM 403 OG SER A 25 8.109 -0.738 4.111 1.00 0.00 O ATOM 0 H SER A 25 5.914 -1.136 1.903 1.00 0.00 H new ATOM 0 HA SER A 25 5.160 -2.288 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.440 -2.628 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.421 -2.234 2.874 1.00 0.00 H new ATOM 0 HG SER A 25 9.038 -1.041 4.033 1.00 0.00 H new ATOM 409 N GLY A 26 6.265 0.734 5.004 1.00 0.00 N ATOM 410 CA GLY A 26 6.127 1.795 5.985 1.00 0.00 C ATOM 411 C GLY A 26 4.991 2.747 5.659 1.00 0.00 C ATOM 412 O GLY A 26 4.500 3.450 6.540 1.00 0.00 O ATOM 0 H GLY A 26 6.935 0.927 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.957 1.356 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.060 2.355 6.043 1.00 0.00 H new ATOM 416 N LEU A 27 4.580 2.785 4.388 1.00 0.00 N ATOM 417 CA LEU A 27 3.516 3.659 3.947 1.00 0.00 C ATOM 418 C LEU A 27 2.158 3.186 4.470 1.00 0.00 C ATOM 419 O LEU A 27 1.511 3.891 5.249 1.00 0.00 O ATOM 420 CB LEU A 27 3.514 3.685 2.422 1.00 0.00 C ATOM 421 CG LEU A 27 2.880 4.906 1.777 1.00 0.00 C ATOM 422 CD1 LEU A 27 2.005 4.460 0.632 1.00 0.00 C ATOM 423 CD2 LEU A 27 2.074 5.691 2.791 1.00 0.00 C ATOM 0 H LEU A 27 4.980 2.209 3.647 1.00 0.00 H new ATOM 0 HA LEU A 27 3.687 4.661 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.545 3.610 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.992 2.797 2.064 1.00 0.00 H new ATOM 0 HG LEU A 27 3.664 5.562 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.546 5.331 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.610 3.929 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.225 3.797 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.629 6.561 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.285 5.058 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.727 6.020 3.599 1.00 0.00 H new ATOM 435 N VAL A 28 1.740 1.981 4.060 1.00 0.00 N ATOM 436 CA VAL A 28 0.471 1.421 4.513 1.00 0.00 C ATOM 437 C VAL A 28 0.396 1.490 6.039 1.00 0.00 C ATOM 438 O VAL A 28 -0.436 2.201 6.589 1.00 0.00 O ATOM 439 CB VAL A 28 0.299 -0.024 3.984 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.493 -0.906 4.940 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.365 0.017 2.617 1.00 0.00 C ATOM 0 H VAL A 28 2.262 1.383 3.420 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.355 2.008 4.111 1.00 0.00 H new ATOM 0 HB VAL A 28 1.290 -0.470 3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.584 -1.908 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.024 -0.960 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.487 -0.483 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.488 -0.999 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.342 0.493 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.258 0.586 1.927 1.00 0.00 H new ATOM 451 N SER A 29 1.311 0.800 6.707 1.00 0.00 N ATOM 452 CA SER A 29 1.397 0.811 8.160 1.00 0.00 C ATOM 453 C SER A 29 1.364 2.243 8.725 1.00 0.00 C ATOM 454 O SER A 29 0.842 2.462 9.816 1.00 0.00 O ATOM 455 CB SER A 29 2.700 0.145 8.587 1.00 0.00 C ATOM 456 OG SER A 29 3.801 0.683 7.870 1.00 0.00 O ATOM 0 H SER A 29 2.015 0.216 6.255 1.00 0.00 H new ATOM 0 HA SER A 29 0.535 0.270 8.551 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.853 0.287 9.657 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.638 -0.929 8.414 1.00 0.00 H new ATOM 0 HG SER A 29 4.353 -0.048 7.522 1.00 0.00 H new ATOM 462 N THR A 30 1.887 3.221 7.978 1.00 0.00 N ATOM 463 CA THR A 30 1.866 4.610 8.430 1.00 0.00 C ATOM 464 C THR A 30 0.481 5.173 8.230 1.00 0.00 C ATOM 465 O THR A 30 -0.169 5.619 9.179 1.00 0.00 O ATOM 466 CB THR A 30 2.866 5.471 7.655 1.00 0.00 C ATOM 467 OG1 THR A 30 4.181 5.256 8.120 1.00 0.00 O ATOM 468 CG2 THR A 30 2.578 6.957 7.754 1.00 0.00 C ATOM 0 H THR A 30 2.325 3.076 7.068 1.00 0.00 H new ATOM 0 HA THR A 30 2.144 4.627 9.484 1.00 0.00 H new ATOM 0 HB THR A 30 2.764 5.165 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.491 4.373 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.323 7.511 7.183 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.586 7.163 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.618 7.267 8.798 1.00 0.00 H new ATOM 476 N THR A 31 0.027 5.133 6.980 1.00 0.00 N ATOM 477 CA THR A 31 -1.290 5.628 6.642 1.00 0.00 C ATOM 478 C THR A 31 -2.335 4.984 7.533 1.00 0.00 C ATOM 479 O THR A 31 -3.230 5.657 8.052 1.00 0.00 O ATOM 480 CB THR A 31 -1.626 5.359 5.177 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.544 5.715 4.339 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.842 6.117 4.702 1.00 0.00 C ATOM 0 H THR A 31 0.556 4.762 6.191 1.00 0.00 H new ATOM 0 HA THR A 31 -1.291 6.706 6.800 1.00 0.00 H new ATOM 0 HB THR A 31 -1.832 4.290 5.117 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.874 6.255 3.591 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.029 5.884 3.654 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.707 5.827 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.669 7.188 4.810 1.00 0.00 H new ATOM 490 N MET A 32 -2.208 3.669 7.707 1.00 0.00 N ATOM 491 CA MET A 32 -3.124 2.911 8.527 1.00 0.00 C ATOM 492 C MET A 32 -3.340 3.544 9.891 1.00 0.00 C ATOM 493 O MET A 32 -4.466 3.621 10.346 1.00 0.00 O ATOM 494 CB MET A 32 -2.626 1.480 8.672 1.00 0.00 C ATOM 495 CG MET A 32 -2.554 0.756 7.346 1.00 0.00 C ATOM 496 SD MET A 32 -4.130 0.067 6.857 1.00 0.00 S ATOM 497 CE MET A 32 -3.662 -1.635 6.691 1.00 0.00 C ATOM 0 H MET A 32 -1.468 3.111 7.282 1.00 0.00 H new ATOM 0 HA MET A 32 -4.091 2.909 8.025 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.638 1.487 9.133 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.288 0.935 9.345 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.208 1.447 6.577 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.816 -0.043 7.412 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.536 -2.228 6.423 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.906 -1.730 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.256 -1.995 7.636 1.00 0.00 H new ATOM 507 N GLN A 33 -2.276 4.007 10.543 1.00 0.00 N ATOM 508 CA GLN A 33 -2.417 4.632 11.858 1.00 0.00 C ATOM 509 C GLN A 33 -3.249 5.904 11.756 1.00 0.00 C ATOM 510 O GLN A 33 -4.192 6.103 12.522 1.00 0.00 O ATOM 511 CB GLN A 33 -1.039 4.908 12.476 1.00 0.00 C ATOM 512 CG GLN A 33 -0.788 6.358 12.885 1.00 0.00 C ATOM 513 CD GLN A 33 0.138 6.478 14.081 1.00 0.00 C ATOM 514 OE1 GLN A 33 -0.153 7.207 15.033 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.251 5.761 14.050 1.00 0.00 N ATOM 0 H GLN A 33 -1.320 3.963 10.190 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.942 3.943 12.519 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.919 4.274 13.354 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.272 4.611 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.358 6.900 12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.740 6.835 13.118 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.455 5.170 13.244 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.904 5.799 14.832 1.00 0.00 H new ATOM 524 N ASN A 34 -2.904 6.755 10.799 1.00 0.00 N ATOM 525 CA ASN A 34 -3.636 7.996 10.596 1.00 0.00 C ATOM 526 C ASN A 34 -5.097 7.687 10.256 1.00 0.00 C ATOM 527 O ASN A 34 -6.009 8.172 10.931 1.00 0.00 O ATOM 528 CB ASN A 34 -2.950 8.852 9.512 1.00 0.00 C ATOM 529 CG ASN A 34 -3.835 9.156 8.323 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.800 9.908 8.426 1.00 0.00 O ATOM 531 ND2 ASN A 34 -3.498 8.579 7.183 1.00 0.00 N ATOM 0 H ASN A 34 -2.127 6.609 10.155 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.629 8.581 11.516 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.621 9.791 9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.056 8.334 9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.048 8.752 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.687 7.961 7.144 1.00 0.00 H new ATOM 538 N GLU A 35 -5.315 6.847 9.241 1.00 0.00 N ATOM 539 CA GLU A 35 -6.670 6.455 8.857 1.00 0.00 C ATOM 540 C GLU A 35 -7.345 5.730 10.018 1.00 0.00 C ATOM 541 O GLU A 35 -8.514 5.975 10.323 1.00 0.00 O ATOM 542 CB GLU A 35 -6.649 5.562 7.610 1.00 0.00 C ATOM 543 CG GLU A 35 -7.439 6.128 6.436 1.00 0.00 C ATOM 544 CD GLU A 35 -7.340 7.635 6.328 1.00 0.00 C ATOM 545 OE1 GLU A 35 -6.325 8.125 5.787 1.00 0.00 O ATOM 546 OE2 GLU A 35 -8.282 8.321 6.790 1.00 0.00 O ATOM 0 H GLU A 35 -4.576 6.429 8.675 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.238 7.354 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.615 5.410 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.052 4.583 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.077 5.678 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.486 5.845 6.540 1.00 0.00 H new ATOM 553 N ALA A 36 -6.584 4.859 10.680 1.00 0.00 N ATOM 554 CA ALA A 36 -7.072 4.114 11.833 1.00 0.00 C ATOM 555 C ALA A 36 -7.533 5.068 12.922 1.00 0.00 C ATOM 556 O ALA A 36 -8.594 4.891 13.516 1.00 0.00 O ATOM 557 CB ALA A 36 -5.976 3.215 12.374 1.00 0.00 C ATOM 0 H ALA A 36 -5.617 4.653 10.431 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.917 3.502 11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.351 2.663 13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.666 2.513 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.123 3.823 12.676 1.00 0.00 H new ATOM 563 N ARG A 37 -6.722 6.095 13.164 1.00 0.00 N ATOM 564 CA ARG A 37 -7.040 7.101 14.162 1.00 0.00 C ATOM 565 C ARG A 37 -8.206 7.940 13.705 1.00 0.00 C ATOM 566 O ARG A 37 -9.196 8.102 14.416 1.00 0.00 O ATOM 567 CB ARG A 37 -5.867 8.033 14.373 1.00 0.00 C ATOM 568 CG ARG A 37 -4.986 7.661 15.553 1.00 0.00 C ATOM 569 CD ARG A 37 -3.904 8.698 15.760 1.00 0.00 C ATOM 570 NE ARG A 37 -2.596 8.097 16.035 1.00 0.00 N ATOM 571 CZ ARG A 37 -2.154 7.773 17.243 1.00 0.00 C ATOM 572 NH1 ARG A 37 -2.925 7.903 18.306 1.00 0.00 N ATOM 573 NH2 ARG A 37 -0.934 7.304 17.374 1.00 0.00 N ATOM 0 H ARG A 37 -5.838 6.249 12.679 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.280 6.579 15.088 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.259 8.045 13.469 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.243 9.046 14.518 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.593 7.577 16.454 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.533 6.685 15.381 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.832 9.326 14.872 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.183 9.349 16.589 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.982 7.915 15.241 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.876 8.257 18.206 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.570 7.649 19.228 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.339 7.193 16.553 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.581 7.051 18.297 1.00 0.00 H new ATOM 587 N ARG A 38 -8.057 8.505 12.512 1.00 0.00 N ATOM 588 CA ARG A 38 -9.077 9.363 11.955 1.00 0.00 C ATOM 589 C ARG A 38 -10.425 8.631 11.852 1.00 0.00 C ATOM 590 O ARG A 38 -11.474 9.238 12.064 1.00 0.00 O ATOM 591 CB ARG A 38 -8.654 9.901 10.583 1.00 0.00 C ATOM 592 CG ARG A 38 -7.393 10.757 10.618 1.00 0.00 C ATOM 593 CD ARG A 38 -7.566 11.996 11.483 1.00 0.00 C ATOM 594 NE ARG A 38 -7.249 11.723 12.889 1.00 0.00 N ATOM 595 CZ ARG A 38 -7.054 12.656 13.812 1.00 0.00 C ATOM 596 NH1 ARG A 38 -7.110 13.935 13.499 1.00 0.00 N ATOM 597 NH2 ARG A 38 -6.797 12.303 15.056 1.00 0.00 N ATOM 0 H ARG A 38 -7.237 8.380 11.918 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.201 10.208 12.632 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.492 9.061 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.471 10.491 10.167 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.562 10.163 10.999 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.131 11.057 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.920 12.792 11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.592 12.355 11.404 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.173 10.748 13.177 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.305 14.217 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.958 14.643 14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.749 11.315 15.306 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.647 13.018 15.768 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.401 -10.158 -10.436 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.051 -9.196 -9.387 1.00 0.00 C ATOM 1186 C LYS B 102 -3.600 -9.404 -8.933 1.00 0.00 C ATOM 1187 O LYS B 102 -2.945 -10.361 -9.352 1.00 0.00 O ATOM 1188 CB LYS B 102 -6.015 -9.324 -8.198 1.00 0.00 C ATOM 1189 CG LYS B 102 -7.475 -9.071 -8.558 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.754 -7.591 -8.788 1.00 0.00 C ATOM 1191 CE LYS B 102 -9.239 -7.326 -9.003 1.00 0.00 C ATOM 1192 NZ LYS B 102 -9.512 -6.667 -10.313 1.00 0.00 N ATOM 0 HA LYS B 102 -5.142 -8.189 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.923 -10.324 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.715 -8.620 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.730 -9.633 -9.457 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -8.116 -9.441 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.402 -7.017 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.193 -7.245 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.785 -8.268 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.614 -6.696 -8.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.517 -6.779 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.282 -5.655 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.927 -7.107 -11.052 1.00 0.00 H new ATOM 1206 N GLN B 103 -3.096 -8.509 -8.085 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.719 -8.606 -7.598 1.00 0.00 C ATOM 1208 C GLN B 103 -1.670 -8.589 -6.081 1.00 0.00 C ATOM 1209 O GLN B 103 -2.192 -7.683 -5.441 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.866 -7.462 -8.170 1.00 0.00 C ATOM 1211 CG GLN B 103 0.479 -7.275 -7.476 1.00 0.00 C ATOM 1212 CD GLN B 103 1.594 -8.072 -8.122 1.00 0.00 C ATOM 1213 OE1 GLN B 103 2.049 -7.747 -9.215 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.050 -9.114 -7.441 1.00 0.00 N ATOM 0 H GLN B 103 -3.617 -7.711 -7.721 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.310 -9.557 -7.939 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.692 -7.649 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.431 -6.532 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.743 -6.217 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.387 -7.571 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN B 103 1.643 -9.349 -6.536 1.00 0.00 H new ATOM 0 HE22 GLN B 103 2.808 -9.680 -7.822 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.051 -9.609 -5.509 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.956 -9.717 -4.065 1.00 0.00 C ATOM 1225 C ARG B 104 0.136 -8.833 -3.475 1.00 0.00 C ATOM 1226 O ARG B 104 1.329 -9.099 -3.634 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.694 -11.163 -3.661 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.453 -11.586 -2.421 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.498 -13.096 -2.300 1.00 0.00 C ATOM 1230 NE ARG B 104 -2.873 -13.587 -2.202 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.721 -13.685 -3.220 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -3.339 -13.422 -4.454 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.956 -14.073 -2.994 1.00 0.00 N ATOM 0 H ARG B 104 -0.608 -10.371 -6.022 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.912 -9.375 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -0.968 -11.819 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.374 -11.297 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -0.978 -11.161 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.468 -11.190 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.011 -13.546 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -0.936 -13.408 -1.420 1.00 0.00 H new ATOM 0 HE ARG B 104 -3.206 -13.876 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -2.377 -13.138 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -4.005 -13.503 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -5.255 -14.295 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.616 -14.152 -3.768 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.291 -7.824 -2.730 1.00 0.00 N ATOM 1248 CA ILE B 105 0.625 -6.941 -2.032 1.00 0.00 C ATOM 1249 C ILE B 105 0.542 -7.271 -0.577 1.00 0.00 C ATOM 1250 O ILE B 105 -0.551 -7.315 -0.052 1.00 0.00 O ATOM 1251 CB ILE B 105 0.267 -5.457 -2.201 1.00 0.00 C ATOM 1252 CG1 ILE B 105 1.261 -4.815 -3.109 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.242 -4.719 -0.850 1.00 0.00 C ATOM 1254 CD1 ILE B 105 2.530 -4.429 -2.387 1.00 0.00 C ATOM 0 H ILE B 105 -1.276 -7.597 -2.594 1.00 0.00 H new ATOM 0 HA ILE B 105 1.622 -7.089 -2.447 1.00 0.00 H new ATOM 0 HB ILE B 105 -0.733 -5.393 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE B 105 1.502 -5.499 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.818 -3.927 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.015 -3.672 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -0.501 -5.178 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE B 105 1.224 -4.783 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE B 105 3.222 -3.966 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE B 105 2.295 -3.723 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE B 105 2.990 -5.319 -1.959 1.00 0.00 H new ATOM 1266 N THR B 106 1.660 -7.501 0.082 1.00 0.00 N ATOM 1267 CA THR B 106 1.605 -7.827 1.492 1.00 0.00 C ATOM 1268 C THR B 106 2.587 -6.998 2.330 1.00 0.00 C ATOM 1269 O THR B 106 3.802 -7.128 2.183 1.00 0.00 O ATOM 1270 CB THR B 106 1.781 -9.348 1.709 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.642 -9.628 2.798 1.00 0.00 O ATOM 1272 CG2 THR B 106 2.310 -10.104 0.502 1.00 0.00 C ATOM 0 H THR B 106 2.595 -7.470 -0.324 1.00 0.00 H new ATOM 0 HA THR B 106 0.613 -7.554 1.852 1.00 0.00 H new ATOM 0 HB THR B 106 0.767 -9.695 1.909 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.324 -10.274 2.518 1.00 0.00 H new ATOM 0 HG21 THR B 106 2.401 -11.162 0.747 1.00 0.00 H new ATOM 0 HG22 THR B 106 1.621 -9.983 -0.334 1.00 0.00 H new ATOM 0 HG23 THR B 106 3.288 -9.710 0.226 1.00 0.00 H new ATOM 1280 N VAL B 107 2.041 -6.237 3.293 1.00 0.00 N ATOM 1281 CA VAL B 107 2.839 -5.474 4.266 1.00 0.00 C ATOM 1282 C VAL B 107 2.809 -6.223 5.605 1.00 0.00 C ATOM 1283 O VAL B 107 1.872 -6.064 6.392 1.00 0.00 O ATOM 1284 CB VAL B 107 2.377 -3.969 4.432 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.208 -3.638 3.520 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.037 -3.592 5.888 1.00 0.00 C ATOM 0 H VAL B 107 1.034 -6.134 3.418 1.00 0.00 H new ATOM 0 HA VAL B 107 3.859 -5.407 3.888 1.00 0.00 H new ATOM 0 HB VAL B 107 3.237 -3.367 4.138 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.919 -2.597 3.662 1.00 0.00 H new ATOM 0 HG12 VAL B 107 1.501 -3.795 2.482 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.364 -4.285 3.761 1.00 0.00 H new ATOM 0 HG21 VAL B 107 1.728 -2.548 5.931 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.226 -4.225 6.248 1.00 0.00 H new ATOM 0 HG23 VAL B 107 2.916 -3.736 6.516 1.00 0.00 H new ATOM 1296 N THR B 108 3.790 -7.073 5.873 1.00 0.00 N ATOM 1297 CA THR B 108 3.793 -7.818 7.120 1.00 0.00 C ATOM 1298 C THR B 108 4.085 -6.873 8.283 1.00 0.00 C ATOM 1299 O THR B 108 5.249 -6.649 8.617 1.00 0.00 O ATOM 1300 CB THR B 108 4.822 -8.944 7.067 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.144 -8.441 7.031 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.645 -9.861 5.894 1.00 0.00 C ATOM 0 H THR B 108 4.580 -7.261 5.255 1.00 0.00 H new ATOM 0 HA THR B 108 2.811 -8.266 7.270 1.00 0.00 H new ATOM 0 HB THR B 108 4.654 -9.514 7.981 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.286 -7.839 7.791 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.410 -10.637 5.920 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.659 -10.323 5.939 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.737 -9.291 4.969 1.00 0.00 H new ATOM 1310 N VAL B 109 3.040 -6.276 8.868 1.00 0.00 N ATOM 1311 CA VAL B 109 3.258 -5.310 9.954 1.00 0.00 C ATOM 1312 C VAL B 109 2.253 -5.357 11.115 1.00 0.00 C ATOM 1313 O VAL B 109 2.416 -4.563 12.018 1.00 0.00 O ATOM 1314 CB VAL B 109 3.254 -3.861 9.413 1.00 0.00 C ATOM 1315 CG1 VAL B 109 4.303 -3.678 8.326 1.00 0.00 C ATOM 1316 CG2 VAL B 109 1.856 -3.461 8.925 1.00 0.00 C ATOM 0 H VAL B 109 2.064 -6.436 8.619 1.00 0.00 H new ATOM 0 HA VAL B 109 4.226 -5.609 10.355 1.00 0.00 H new ATOM 0 HB VAL B 109 3.518 -3.193 10.233 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.277 -2.650 7.965 1.00 0.00 H new ATOM 0 HG12 VAL B 109 5.291 -3.895 8.733 1.00 0.00 H new ATOM 0 HG13 VAL B 109 4.094 -4.358 7.500 1.00 0.00 H new ATOM 0 HG21 VAL B 109 1.881 -2.438 8.550 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.543 -4.133 8.126 1.00 0.00 H new ATOM 0 HG23 VAL B 109 1.149 -3.527 9.752 1.00 0.00 H new ATOM 1326 N ASP B 110 1.232 -6.242 11.080 1.00 0.00 N ATOM 1327 CA ASP B 110 0.194 -6.356 12.121 1.00 0.00 C ATOM 1328 C ASP B 110 0.128 -5.116 13.008 1.00 0.00 C ATOM 1329 O ASP B 110 -0.790 -4.310 12.886 1.00 0.00 O ATOM 1330 CB ASP B 110 0.332 -7.683 12.927 1.00 0.00 C ATOM 1331 CG ASP B 110 1.049 -7.589 14.256 1.00 0.00 C ATOM 1332 OD1 ASP B 110 2.291 -7.472 14.248 1.00 0.00 O ATOM 1333 OD2 ASP B 110 0.371 -7.644 15.299 1.00 0.00 O ATOM 0 H ASP B 110 1.107 -6.905 10.315 1.00 0.00 H new ATOM 0 HA ASP B 110 -0.771 -6.406 11.616 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -0.667 -8.081 13.105 1.00 0.00 H new ATOM 0 HB3 ASP B 110 0.858 -8.408 12.305 1.00 0.00 H new ATOM 1338 N SER B 111 1.093 -4.981 13.886 1.00 0.00 N ATOM 1339 CA SER B 111 1.198 -3.890 14.824 1.00 0.00 C ATOM 1340 C SER B 111 1.463 -2.504 14.214 1.00 0.00 C ATOM 1341 O SER B 111 1.221 -1.503 14.894 1.00 0.00 O ATOM 1342 CB SER B 111 2.349 -4.259 15.734 1.00 0.00 C ATOM 1343 OG SER B 111 2.001 -4.124 17.102 1.00 0.00 O ATOM 0 H SER B 111 1.855 -5.654 13.969 1.00 0.00 H new ATOM 0 HA SER B 111 0.235 -3.780 15.323 1.00 0.00 H new ATOM 0 HB2 SER B 111 2.654 -5.286 15.536 1.00 0.00 H new ATOM 0 HB3 SER B 111 3.206 -3.623 15.512 1.00 0.00 H new ATOM 0 HG SER B 111 2.767 -4.372 17.660 1.00 0.00 H new ATOM 1349 N ASP B 112 1.978 -2.401 12.974 1.00 0.00 N ATOM 1350 CA ASP B 112 2.264 -1.084 12.419 1.00 0.00 C ATOM 1351 C ASP B 112 0.993 -0.413 11.914 1.00 0.00 C ATOM 1352 O ASP B 112 0.848 -0.136 10.724 1.00 0.00 O ATOM 1353 CB ASP B 112 3.314 -1.198 11.313 1.00 0.00 C ATOM 1354 CG ASP B 112 4.325 -0.068 11.343 1.00 0.00 C ATOM 1355 OD1 ASP B 112 3.907 1.109 11.360 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.536 -0.364 11.345 1.00 0.00 O ATOM 0 H ASP B 112 2.195 -3.189 12.364 1.00 0.00 H new ATOM 0 HA ASP B 112 2.668 -0.453 13.210 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.837 -2.150 11.411 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.815 -1.207 10.344 1.00 0.00 H new ATOM 1361 N SER B 113 0.067 -0.158 12.837 1.00 0.00 N ATOM 1362 CA SER B 113 -1.217 0.496 12.524 1.00 0.00 C ATOM 1363 C SER B 113 -2.077 -0.255 11.488 1.00 0.00 C ATOM 1364 O SER B 113 -3.301 -0.092 11.482 1.00 0.00 O ATOM 1365 CB SER B 113 -0.988 1.923 12.027 1.00 0.00 C ATOM 1366 OG SER B 113 0.364 2.325 12.160 1.00 0.00 O ATOM 0 H SER B 113 0.179 -0.396 13.823 1.00 0.00 H new ATOM 0 HA SER B 113 -1.771 0.492 13.463 1.00 0.00 H new ATOM 0 HB2 SER B 113 -1.285 1.994 10.981 1.00 0.00 H new ATOM 0 HB3 SER B 113 -1.626 2.608 12.586 1.00 0.00 H new ATOM 0 HG SER B 113 0.651 2.783 11.343 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.456 -1.068 10.619 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.187 -1.824 9.604 1.00 0.00 C ATOM 1374 C TYR B 114 -3.455 -2.436 10.204 1.00 0.00 C ATOM 1375 O TYR B 114 -4.565 -2.251 9.700 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.329 -2.968 9.059 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.065 -4.295 9.040 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.043 -4.559 8.092 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -1.798 -5.265 9.987 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.725 -5.758 8.082 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.473 -6.468 9.989 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.433 -6.713 9.036 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.095 -7.916 9.035 1.00 0.00 O ATOM 0 H TYR B 114 -0.447 -1.215 10.604 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.442 -1.132 8.802 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.004 -2.723 8.048 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.430 -3.064 9.668 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.275 -3.812 7.348 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.047 -5.078 10.740 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.481 -5.948 7.334 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.248 -7.215 10.736 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.700 -8.506 8.360 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.235 -3.223 11.266 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.293 -3.952 11.946 1.00 0.00 C ATOM 1395 C GLN B 115 -5.499 -3.064 12.290 1.00 0.00 C ATOM 1396 O GLN B 115 -6.644 -3.497 12.191 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.743 -4.563 13.234 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.059 -3.540 14.128 1.00 0.00 C ATOM 1399 CD GLN B 115 -2.533 -4.126 15.424 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -2.783 -5.284 15.749 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.798 -3.323 16.179 1.00 0.00 N ATOM 0 H GLN B 115 -2.311 -3.367 11.673 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.639 -4.727 11.262 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.558 -5.032 13.785 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.033 -5.351 12.982 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.232 -3.087 13.581 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -3.764 -2.742 14.359 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.612 -2.367 15.876 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -1.418 -3.661 17.063 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.226 -1.829 12.722 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.277 -0.879 13.115 1.00 0.00 C ATOM 1412 C LEU B 116 -7.237 -0.557 11.965 1.00 0.00 C ATOM 1413 O LEU B 116 -8.451 -0.502 12.161 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.651 0.424 13.622 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.139 0.910 14.994 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.255 2.041 15.513 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.588 1.370 14.918 1.00 0.00 C ATOM 0 H LEU B 116 -4.279 -1.460 12.810 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.851 -1.358 13.908 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.570 0.292 13.668 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.846 1.208 12.890 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.076 0.073 15.689 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.619 2.370 16.486 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.229 1.686 15.610 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.285 2.876 14.813 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.914 1.710 15.901 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.673 2.189 14.204 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.217 0.540 14.595 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.686 -0.329 10.774 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.524 0.002 9.616 1.00 0.00 C ATOM 1431 C LEU B 117 -8.490 -1.125 9.289 1.00 0.00 C ATOM 1432 O LEU B 117 -9.693 -0.918 9.149 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.694 0.318 8.389 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.162 1.552 7.625 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -6.046 2.555 7.457 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -7.731 1.149 6.287 1.00 0.00 C ATOM 0 H LEU B 117 -5.685 -0.365 10.584 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.091 0.891 9.893 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.657 0.462 8.692 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.714 -0.541 7.718 1.00 0.00 H new ATOM 0 HG LEU B 117 -7.946 2.035 8.208 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.415 3.421 6.908 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.690 2.871 8.438 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.226 2.098 6.904 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.062 2.038 5.750 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.964 0.638 5.705 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.578 0.480 6.438 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.959 -2.324 9.194 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.773 -3.496 8.913 1.00 0.00 C ATOM 1450 C LYS B 118 -9.641 -3.813 10.117 1.00 0.00 C ATOM 1451 O LYS B 118 -10.724 -4.384 9.989 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.885 -4.676 8.558 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.836 -4.923 9.611 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.590 -6.408 9.812 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.012 -6.697 11.187 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.270 -8.102 11.612 1.00 0.00 N ATOM 0 H LYS B 118 -6.964 -2.518 9.307 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.421 -3.292 8.061 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.498 -5.569 8.439 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.401 -4.491 7.599 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.906 -4.435 9.321 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.151 -4.474 10.553 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.526 -6.953 9.688 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.906 -6.771 9.045 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -4.938 -6.512 11.176 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.446 -6.012 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -5.860 -8.260 12.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.296 -8.271 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -5.834 -8.756 10.931 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.157 -3.392 11.282 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.881 -3.571 12.528 1.00 0.00 C ATOM 1472 C ALA B 119 -11.218 -2.852 12.447 1.00 0.00 C ATOM 1473 O ALA B 119 -12.183 -3.253 13.099 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.068 -3.063 13.714 1.00 0.00 C ATOM 0 H ALA B 119 -8.258 -2.921 11.385 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.055 -4.636 12.681 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.635 -3.210 14.633 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.129 -3.614 13.774 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.858 -2.002 13.583 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.285 -1.800 11.614 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.524 -1.078 11.444 1.00 0.00 C ATOM 1482 C TYR B 120 -13.358 -1.709 10.335 1.00 0.00 C ATOM 1483 O TYR B 120 -14.543 -1.935 10.571 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.323 0.447 11.283 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.730 0.966 9.986 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.294 0.698 8.738 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.596 1.769 10.028 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -11.735 1.209 7.582 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.041 2.282 8.880 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.610 1.999 7.660 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.057 2.513 6.515 1.00 0.00 O ATOM 0 H TYR B 120 -10.502 -1.447 11.064 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.095 -1.171 12.368 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.293 0.925 11.419 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.684 0.785 12.099 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.179 0.083 8.675 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.142 1.994 10.982 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.178 0.990 6.622 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.161 2.905 8.936 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.624 3.369 6.716 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.744 -2.060 9.164 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.505 -2.745 8.075 1.00 0.00 C ATOM 1503 C ASP B 121 -13.002 -2.456 6.653 1.00 0.00 C ATOM 1504 O ASP B 121 -13.744 -1.904 5.836 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.009 -2.398 8.115 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.882 -3.588 8.476 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.463 -4.407 9.321 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.986 -3.706 7.904 1.00 0.00 O ATOM 0 H ASP B 121 -11.761 -1.887 8.955 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.338 -3.802 8.283 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.173 -1.600 8.840 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.314 -2.012 7.142 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.771 -2.837 6.325 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.279 -2.599 4.965 1.00 0.00 C ATOM 1515 C VAL B 122 -10.125 -3.523 4.554 1.00 0.00 C ATOM 1516 O VAL B 122 -10.088 -3.987 3.415 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.877 -1.122 4.765 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.404 -0.900 5.047 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.225 -0.661 3.358 1.00 0.00 C ATOM 0 H VAL B 122 -11.113 -3.296 6.955 1.00 0.00 H new ATOM 0 HA VAL B 122 -12.116 -2.837 4.309 1.00 0.00 H new ATOM 0 HB VAL B 122 -11.443 -0.526 5.481 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.159 0.151 4.896 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.185 -1.179 6.078 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -8.808 -1.513 4.371 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -10.935 0.382 3.235 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.692 -1.274 2.632 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.299 -0.760 3.198 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.157 -3.753 5.448 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.991 -4.583 5.128 1.00 0.00 C ATOM 1531 C ASN B 123 -7.255 -4.006 3.933 1.00 0.00 C ATOM 1532 O ASN B 123 -7.083 -4.662 2.907 1.00 0.00 O ATOM 1533 CB ASN B 123 -8.352 -6.041 4.866 1.00 0.00 C ATOM 1534 CG ASN B 123 -9.675 -6.451 5.474 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -9.782 -6.651 6.682 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -10.695 -6.565 4.641 1.00 0.00 N ATOM 0 H ASN B 123 -9.158 -3.377 6.396 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.344 -4.571 6.005 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.387 -6.211 3.790 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -7.564 -6.680 5.264 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -11.615 -6.828 4.994 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -10.562 -6.390 3.645 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.825 -2.768 4.118 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.081 -1.957 3.172 1.00 0.00 C ATOM 1545 C ILE B 124 -6.480 -2.007 1.697 1.00 0.00 C ATOM 1546 O ILE B 124 -5.968 -1.191 0.936 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.581 -2.162 3.288 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.264 -3.323 4.178 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.906 -0.911 3.781 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.487 -4.590 3.448 1.00 0.00 C ATOM 0 H ILE B 124 -6.999 -2.272 4.992 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.375 -0.959 3.497 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.196 -2.386 2.293 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.229 -3.264 4.514 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.890 -3.291 5.069 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.832 -1.082 3.856 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.095 -0.096 3.083 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.301 -0.647 4.762 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.255 -5.432 4.101 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.529 -4.651 3.135 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -3.842 -4.623 2.570 1.00 0.00 H new ATOM 1562 N SER B 125 -7.320 -2.945 1.264 1.00 0.00 N ATOM 1563 CA SER B 125 -7.671 -3.029 -0.151 1.00 0.00 C ATOM 1564 C SER B 125 -7.811 -1.624 -0.743 1.00 0.00 C ATOM 1565 O SER B 125 -7.112 -1.275 -1.698 1.00 0.00 O ATOM 1566 CB SER B 125 -8.964 -3.819 -0.350 1.00 0.00 C ATOM 1567 OG SER B 125 -8.836 -4.729 -1.433 1.00 0.00 O ATOM 0 H SER B 125 -7.763 -3.645 1.860 1.00 0.00 H new ATOM 0 HA SER B 125 -6.870 -3.555 -0.670 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.207 -4.364 0.562 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.789 -3.133 -0.541 1.00 0.00 H new ATOM 0 HG SER B 125 -9.673 -5.226 -1.543 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.683 -0.806 -0.150 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.853 0.564 -0.618 1.00 0.00 C ATOM 1575 C GLY B 126 -7.799 1.512 -0.049 1.00 0.00 C ATOM 1576 O GLY B 126 -7.507 2.549 -0.649 1.00 0.00 O ATOM 0 H GLY B 126 -9.272 -1.065 0.642 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.803 0.581 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -9.845 0.919 -0.339 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.229 1.155 1.114 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.212 1.960 1.779 1.00 0.00 C ATOM 1582 C LEU B 127 -4.898 1.932 1.008 1.00 0.00 C ATOM 1583 O LEU B 127 -4.441 2.975 0.539 1.00 0.00 O ATOM 1584 CB LEU B 127 -5.993 1.448 3.203 1.00 0.00 C ATOM 1585 CG LEU B 127 -5.271 2.399 4.153 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.786 2.073 4.203 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -5.500 3.839 3.733 1.00 0.00 C ATOM 0 H LEU B 127 -7.466 0.298 1.613 1.00 0.00 H new ATOM 0 HA LEU B 127 -6.563 2.991 1.814 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -6.964 1.204 3.634 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.426 0.519 3.150 1.00 0.00 H new ATOM 0 HG LEU B 127 -5.678 2.270 5.156 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.285 2.760 4.885 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.650 1.050 4.554 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -3.357 2.175 3.206 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.979 4.506 4.420 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.118 3.988 2.723 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -6.567 4.059 3.754 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.302 0.735 0.859 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.049 0.604 0.109 1.00 0.00 C ATOM 1601 C VAL B 128 -3.169 1.378 -1.203 1.00 0.00 C ATOM 1602 O VAL B 128 -2.350 2.239 -1.503 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.686 -0.880 -0.201 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.492 -0.970 -1.149 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.390 -1.648 1.077 1.00 0.00 C ATOM 0 H VAL B 128 -4.663 -0.139 1.242 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.251 1.010 0.731 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.551 -1.331 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.262 -2.017 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -1.733 -0.468 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -0.627 -0.489 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.140 -2.680 0.832 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.550 -1.184 1.594 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.268 -1.631 1.723 1.00 0.00 H new ATOM 1615 N SER B 129 -4.210 1.062 -1.969 1.00 0.00 N ATOM 1616 CA SER B 129 -4.474 1.710 -3.258 1.00 0.00 C ATOM 1617 C SER B 129 -4.660 3.230 -3.156 1.00 0.00 C ATOM 1618 O SER B 129 -4.174 3.968 -4.013 1.00 0.00 O ATOM 1619 CB SER B 129 -5.712 1.083 -3.893 1.00 0.00 C ATOM 1620 OG SER B 129 -6.557 2.060 -4.484 1.00 0.00 O ATOM 0 H SER B 129 -4.896 0.350 -1.717 1.00 0.00 H new ATOM 0 HA SER B 129 -3.592 1.549 -3.878 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.406 0.362 -4.651 1.00 0.00 H new ATOM 0 HB3 SER B 129 -6.269 0.532 -3.135 1.00 0.00 H new ATOM 0 HG SER B 129 -7.440 2.029 -4.059 1.00 0.00 H new ATOM 1626 N THR B 130 -5.362 3.703 -2.128 1.00 0.00 N ATOM 1627 CA THR B 130 -5.589 5.138 -1.967 1.00 0.00 C ATOM 1628 C THR B 130 -4.320 5.799 -1.501 1.00 0.00 C ATOM 1629 O THR B 130 -3.869 6.792 -2.075 1.00 0.00 O ATOM 1630 CB THR B 130 -6.704 5.420 -0.964 1.00 0.00 C ATOM 1631 OG1 THR B 130 -7.918 4.821 -1.384 1.00 0.00 O ATOM 1632 CG2 THR B 130 -6.956 6.899 -0.763 1.00 0.00 C ATOM 0 H THR B 130 -5.779 3.121 -1.401 1.00 0.00 H new ATOM 0 HA THR B 130 -5.891 5.541 -2.933 1.00 0.00 H new ATOM 0 HB THR B 130 -6.367 4.994 -0.019 1.00 0.00 H new ATOM 0 HG1 THR B 130 -7.837 3.846 -1.331 1.00 0.00 H new ATOM 0 HG21 THR B 130 -7.759 7.036 -0.039 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.048 7.376 -0.393 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.242 7.352 -1.712 1.00 0.00 H new ATOM 1640 N THR B 131 -3.732 5.225 -0.459 1.00 0.00 N ATOM 1641 CA THR B 131 -2.496 5.743 0.077 1.00 0.00 C ATOM 1642 C THR B 131 -1.445 5.816 -1.031 1.00 0.00 C ATOM 1643 O THR B 131 -0.579 6.694 -1.029 1.00 0.00 O ATOM 1644 CB THR B 131 -2.018 4.887 1.259 1.00 0.00 C ATOM 1645 OG1 THR B 131 -1.105 5.606 2.069 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.349 3.593 0.854 1.00 0.00 C ATOM 0 H THR B 131 -4.095 4.404 0.025 1.00 0.00 H new ATOM 0 HA THR B 131 -2.661 6.752 0.456 1.00 0.00 H new ATOM 0 HB THR B 131 -2.929 4.642 1.806 1.00 0.00 H new ATOM 0 HG1 THR B 131 -0.731 5.009 2.750 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.041 3.048 1.746 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.049 2.985 0.281 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.474 3.812 0.242 1.00 0.00 H new ATOM 1654 N MET B 132 -1.553 4.890 -1.992 1.00 0.00 N ATOM 1655 CA MET B 132 -0.645 4.832 -3.131 1.00 0.00 C ATOM 1656 C MET B 132 -0.646 6.135 -3.922 1.00 0.00 C ATOM 1657 O MET B 132 0.394 6.748 -4.093 1.00 0.00 O ATOM 1658 CB MET B 132 -1.039 3.688 -4.067 1.00 0.00 C ATOM 1659 CG MET B 132 -0.610 2.311 -3.600 1.00 0.00 C ATOM 1660 SD MET B 132 0.585 2.361 -2.270 1.00 0.00 S ATOM 1661 CE MET B 132 0.863 0.616 -2.068 1.00 0.00 C ATOM 0 H MET B 132 -2.271 4.165 -1.997 1.00 0.00 H new ATOM 0 HA MET B 132 0.356 4.665 -2.734 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.122 3.694 -4.190 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.606 3.875 -5.050 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.488 1.756 -3.270 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.185 1.765 -4.442 1.00 0.00 H new ATOM 0 HE1 MET B 132 0.645 0.329 -1.039 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.212 0.063 -2.745 1.00 0.00 H new ATOM 0 HE3 MET B 132 1.903 0.385 -2.296 1.00 0.00 H new ATOM 1671 N GLN B 133 -1.818 6.544 -4.406 1.00 0.00 N ATOM 1672 CA GLN B 133 -1.941 7.773 -5.195 1.00 0.00 C ATOM 1673 C GLN B 133 -1.442 8.996 -4.427 1.00 0.00 C ATOM 1674 O GLN B 133 -0.701 9.819 -4.969 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.397 7.970 -5.652 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.075 9.224 -5.102 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.234 9.687 -5.961 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -6.323 9.124 -5.906 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.004 10.720 -6.760 1.00 0.00 N ATOM 0 H GLN B 133 -2.696 6.044 -4.267 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.307 7.667 -6.075 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.419 8.009 -6.741 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -3.979 7.098 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.434 9.025 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.341 10.026 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -4.083 11.159 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -5.748 11.076 -7.360 1.00 0.00 H new ATOM 1688 N ASN B 134 -1.851 9.115 -3.167 1.00 0.00 N ATOM 1689 CA ASN B 134 -1.441 10.247 -2.341 1.00 0.00 C ATOM 1690 C ASN B 134 0.062 10.229 -2.107 1.00 0.00 C ATOM 1691 O ASN B 134 0.740 11.229 -2.354 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.203 10.250 -1.009 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.695 10.444 -1.184 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.140 11.441 -1.745 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -4.478 9.489 -0.700 1.00 0.00 N ATOM 0 H ASN B 134 -2.462 8.446 -2.698 1.00 0.00 H new ATOM 0 HA ASN B 134 -1.687 11.165 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -2.022 9.308 -0.491 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -1.811 11.044 -0.373 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -5.491 9.567 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.067 8.676 -0.241 1.00 0.00 H new ATOM 1702 N GLU B 135 0.595 9.091 -1.672 1.00 0.00 N ATOM 1703 CA GLU B 135 2.031 8.985 -1.461 1.00 0.00 C ATOM 1704 C GLU B 135 2.757 8.953 -2.804 1.00 0.00 C ATOM 1705 O GLU B 135 3.903 9.352 -2.894 1.00 0.00 O ATOM 1706 CB GLU B 135 2.388 7.776 -0.597 1.00 0.00 C ATOM 1707 CG GLU B 135 2.950 8.173 0.764 1.00 0.00 C ATOM 1708 CD GLU B 135 2.197 9.331 1.397 1.00 0.00 C ATOM 1709 OE1 GLU B 135 1.024 9.142 1.775 1.00 0.00 O ATOM 1710 OE2 GLU B 135 2.782 10.433 1.508 1.00 0.00 O ATOM 0 H GLU B 135 0.064 8.245 -1.463 1.00 0.00 H new ATOM 0 HA GLU B 135 2.362 9.867 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.499 7.161 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU B 135 3.119 7.162 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU B 135 2.913 7.313 1.432 1.00 0.00 H new ATOM 0 HG3 GLU B 135 4.000 8.445 0.653 1.00 0.00 H new ATOM 1717 N ALA B 136 2.063 8.514 -3.853 1.00 0.00 N ATOM 1718 CA ALA B 136 2.632 8.486 -5.197 1.00 0.00 C ATOM 1719 C ALA B 136 2.756 9.907 -5.725 1.00 0.00 C ATOM 1720 O ALA B 136 3.800 10.294 -6.247 1.00 0.00 O ATOM 1721 CB ALA B 136 1.764 7.668 -6.130 1.00 0.00 C ATOM 0 H ALA B 136 1.104 8.172 -3.796 1.00 0.00 H new ATOM 0 HA ALA B 136 3.618 8.024 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA B 136 2.207 7.661 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.692 6.646 -5.757 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.768 8.108 -6.179 1.00 0.00 H new ATOM 1727 N ARG B 137 1.685 10.690 -5.557 1.00 0.00 N ATOM 1728 CA ARG B 137 1.689 12.078 -5.994 1.00 0.00 C ATOM 1729 C ARG B 137 2.776 12.843 -5.282 1.00 0.00 C ATOM 1730 O ARG B 137 3.617 13.492 -5.902 1.00 0.00 O ATOM 1731 CB ARG B 137 0.374 12.760 -5.654 1.00 0.00 C ATOM 1732 CG ARG B 137 -0.478 13.112 -6.860 1.00 0.00 C ATOM 1733 CD ARG B 137 0.256 14.044 -7.807 1.00 0.00 C ATOM 1734 NE ARG B 137 -0.568 14.407 -8.962 1.00 0.00 N ATOM 1735 CZ ARG B 137 -0.824 13.593 -9.978 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -0.335 12.367 -9.993 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -1.579 14.005 -10.977 1.00 0.00 N ATOM 0 H ARG B 137 0.814 10.383 -5.124 1.00 0.00 H new ATOM 0 HA ARG B 137 1.848 12.076 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -0.200 12.108 -4.996 1.00 0.00 H new ATOM 0 HB3 ARG B 137 0.585 13.671 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.757 12.200 -7.388 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -1.403 13.583 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG B 137 0.550 14.947 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG B 137 1.172 13.564 -8.151 1.00 0.00 H new ATOM 0 HE ARG B 137 -0.970 15.344 -8.987 1.00 0.00 H new ATOM 0 HH11 ARG B 137 0.244 12.039 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -0.536 11.747 -10.778 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -1.966 14.949 -10.968 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -1.776 13.380 -11.759 1.00 0.00 H new ATOM 1751 N ARG B 138 2.700 12.790 -3.962 1.00 0.00 N ATOM 1752 CA ARG B 138 3.633 13.511 -3.126 1.00 0.00 C ATOM 1753 C ARG B 138 5.001 12.816 -3.020 1.00 0.00 C ATOM 1754 O ARG B 138 6.038 13.456 -3.190 1.00 0.00 O ATOM 1755 CB ARG B 138 3.034 13.706 -1.730 1.00 0.00 C ATOM 1756 CG ARG B 138 3.884 14.575 -0.813 1.00 0.00 C ATOM 1757 CD ARG B 138 4.579 13.747 0.261 1.00 0.00 C ATOM 1758 NE ARG B 138 3.631 12.976 1.072 1.00 0.00 N ATOM 1759 CZ ARG B 138 2.807 13.497 1.968 1.00 0.00 C ATOM 1760 NH1 ARG B 138 2.790 14.795 2.196 1.00 0.00 N ATOM 1761 NH2 ARG B 138 1.996 12.706 2.633 1.00 0.00 N ATOM 0 H ARG B 138 1.999 12.253 -3.450 1.00 0.00 H new ATOM 0 HA ARG B 138 3.806 14.478 -3.598 1.00 0.00 H new ATOM 0 HB2 ARG B 138 2.046 14.156 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.895 12.730 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG B 138 4.631 15.106 -1.404 1.00 0.00 H new ATOM 0 HG3 ARG B 138 3.255 15.330 -0.341 1.00 0.00 H new ATOM 0 HD2 ARG B 138 5.288 13.066 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG B 138 5.155 14.407 0.909 1.00 0.00 H new ATOM 0 HE ARG B 138 3.605 11.965 0.936 1.00 0.00 H new ATOM 0 HH11 ARG B 138 3.417 15.412 1.679 1.00 0.00 H new ATOM 0 HH12 ARG B 138 2.150 15.183 2.889 1.00 0.00 H new ATOM 0 HH21 ARG B 138 2.005 11.701 2.457 1.00 0.00 H new ATOM 0 HH22 ARG B 138 1.357 13.096 3.326 1.00 0.00 H new