USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=26 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: B 114 TYR OH : rot -44:sc= -0.0342 USER MOD Set 1.2: B 123 ASN : amide:sc= -0.576! C(o=-0.61!,f=-7.8!) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.254 X(o=-0.1,f=-0.18) USER MOD Set 2.2: B 113 SER OG : rot 51:sc= -0.358 USER MOD Set 3.1: A 31 THR OG1 : rot 79:sc= 0.969 USER MOD Set 3.2: B 131 THR OG1 : rot -150:sc= 0 USER MOD Set 4.1: A 15 GLN : amide:sc= -0.268! C(o=0.34!,f=-18!) USER MOD Set 4.2: A 18 LYS NZ :NH3+ -118:sc= 0.606 (180deg=0) USER MOD Set 5.1: A 14 TYR OH : rot 165:sc= 0.902 USER MOD Set 5.2: A 23 ASN : amide:sc= 1.59 K(o=2.5,f=-0.31!) USER MOD Set 6.1: A 3 GLN : amide:sc= 0.434 K(o=1.8,f=-19!) USER MOD Set 6.2: B 118 LYS NZ :NH3+ 162:sc= 1.34! (180deg=0.276) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -0.103 (180deg=-0.486) USER MOD Single : A 6 THR OG1 : rot -120:sc= -2.63! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 130:sc= -2.34! USER MOD Single : A 20 TYR OH : rot 165:sc= -0.595 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00144 USER MOD Single : A 29 SER OG : rot -94:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot 93:sc= 0.0023 USER MOD Single : A 32 MET CE :methyl -147:sc= -19! (180deg=-24.3!) USER MOD Single : A 34 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.33) USER MOD Single : B 102 LYS NZ :NH3+ -123:sc= 0.783 (180deg=-1.9!) USER MOD Single : B 103 GLN : amide:sc= -0.296 K(o=-0.3,f=-4.1!) USER MOD Single : B 106 THR OG1 : rot -110:sc= -2.21! USER MOD Single : B 108 THR OG1 : rot 41:sc= 0.553 USER MOD Single : B 111 SER OG : rot 180:sc=-0.00274 USER MOD Single : B 115 GLN : amide:sc= 0.115! C(o=0.11!,f=-9.2!) USER MOD Single : B 120 TYR OH : rot -97:sc= 0.892 USER MOD Single : B 125 SER OG : rot 180:sc= -0.142 USER MOD Single : B 129 SER OG : rot 76:sc= -0.327 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 134:sc= -16.8! (180deg=-20.7!) USER MOD Single : B 133 GLN : amide:sc= 0.438 K(o=0.44,f=-11!) USER MOD Single : B 134 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.777 -13.938 -19.078 1.00 0.00 N ATOM 21 CA LYS A 2 -12.339 -12.880 -18.159 1.00 0.00 C ATOM 22 C LYS A 2 -11.140 -13.350 -17.330 1.00 0.00 C ATOM 23 O LYS A 2 -10.715 -14.504 -17.441 1.00 0.00 O ATOM 24 CB LYS A 2 -13.485 -12.455 -17.224 1.00 0.00 C ATOM 25 CG LYS A 2 -14.881 -12.713 -17.782 1.00 0.00 C ATOM 26 CD LYS A 2 -15.900 -12.906 -16.668 1.00 0.00 C ATOM 27 CE LYS A 2 -15.769 -14.271 -16.010 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.038 -15.382 -16.971 1.00 0.00 N ATOM 0 HA LYS A 2 -12.041 -12.019 -18.758 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.381 -12.986 -16.278 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.385 -11.392 -17.006 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.183 -11.876 -18.412 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.862 -13.599 -18.417 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.769 -12.127 -15.917 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.906 -12.793 -17.072 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.765 -14.381 -15.600 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.464 -14.339 -15.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.273 -16.247 -16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.836 -15.123 -17.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.193 -15.550 -17.553 1.00 0.00 H new ATOM 42 N GLN A 3 -10.602 -12.463 -16.492 1.00 0.00 N ATOM 43 CA GLN A 3 -9.456 -12.815 -15.652 1.00 0.00 C ATOM 44 C GLN A 3 -9.701 -12.528 -14.193 1.00 0.00 C ATOM 45 O GLN A 3 -9.946 -11.389 -13.796 1.00 0.00 O ATOM 46 CB GLN A 3 -8.166 -12.082 -16.099 1.00 0.00 C ATOM 47 CG GLN A 3 -7.092 -12.009 -15.006 1.00 0.00 C ATOM 48 CD GLN A 3 -5.723 -12.486 -15.458 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.185 -12.021 -16.462 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.144 -13.404 -14.702 1.00 0.00 N ATOM 0 H GLN A 3 -10.936 -11.506 -16.377 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.322 -13.889 -15.778 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.752 -12.590 -16.970 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.423 -11.070 -16.413 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.011 -10.979 -14.658 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.412 -12.609 -14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.625 -13.763 -13.877 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.216 -13.753 -14.944 1.00 0.00 H new ATOM 59 N ARG A 4 -9.572 -13.573 -13.387 1.00 0.00 N ATOM 60 CA ARG A 4 -9.724 -13.431 -11.962 1.00 0.00 C ATOM 61 C ARG A 4 -8.440 -12.846 -11.416 1.00 0.00 C ATOM 62 O ARG A 4 -7.393 -13.494 -11.406 1.00 0.00 O ATOM 63 CB ARG A 4 -10.011 -14.772 -11.291 1.00 0.00 C ATOM 64 CG ARG A 4 -10.756 -14.634 -9.972 1.00 0.00 C ATOM 65 CD ARG A 4 -11.109 -15.990 -9.376 1.00 0.00 C ATOM 66 NE ARG A 4 -12.546 -16.112 -9.095 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.470 -16.413 -10.003 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.134 -16.598 -11.264 1.00 0.00 N ATOM 69 NH2 ARG A 4 -14.735 -16.521 -9.645 1.00 0.00 N ATOM 0 H ARG A 4 -9.363 -14.520 -13.702 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.571 -12.778 -11.753 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.597 -15.392 -11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.069 -15.293 -11.116 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.143 -14.075 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.668 -14.057 -10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.806 -16.778 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.546 -16.138 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.857 -15.955 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.159 -16.511 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.849 -16.829 -11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.004 -16.374 -8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.444 -16.752 -10.341 1.00 0.00 H new ATOM 83 N ILE A 5 -8.536 -11.620 -10.958 1.00 0.00 N ATOM 84 CA ILE A 5 -7.402 -10.924 -10.392 1.00 0.00 C ATOM 85 C ILE A 5 -7.665 -10.755 -8.915 1.00 0.00 C ATOM 86 O ILE A 5 -8.702 -10.222 -8.538 1.00 0.00 O ATOM 87 CB ILE A 5 -7.189 -9.548 -11.068 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.730 -8.422 -10.184 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.869 -9.525 -12.435 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.447 -7.041 -10.710 1.00 0.00 C ATOM 0 H ILE A 5 -9.399 -11.077 -10.967 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.492 -11.500 -10.558 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.119 -9.390 -11.204 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.808 -8.545 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.297 -8.516 -9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.713 -8.553 -12.902 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.442 -10.304 -13.067 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.938 -9.702 -12.313 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.862 -6.300 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.370 -6.896 -10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.904 -6.925 -11.693 1.00 0.00 H new ATOM 102 N THR A 6 -6.775 -11.248 -8.078 1.00 0.00 N ATOM 103 CA THR A 6 -7.002 -11.166 -6.645 1.00 0.00 C ATOM 104 C THR A 6 -5.793 -10.624 -5.889 1.00 0.00 C ATOM 105 O THR A 6 -4.688 -11.154 -5.997 1.00 0.00 O ATOM 106 CB THR A 6 -7.436 -12.548 -6.101 1.00 0.00 C ATOM 107 OG1 THR A 6 -6.660 -12.933 -4.982 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.351 -13.676 -7.118 1.00 0.00 C ATOM 0 H THR A 6 -5.904 -11.701 -8.355 1.00 0.00 H new ATOM 0 HA THR A 6 -7.807 -10.450 -6.478 1.00 0.00 H new ATOM 0 HB THR A 6 -8.482 -12.406 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.196 -13.773 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.673 -14.609 -6.655 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.997 -13.450 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.322 -13.778 -7.463 1.00 0.00 H new ATOM 116 N VAL A 7 -6.042 -9.610 -5.054 1.00 0.00 N ATOM 117 CA VAL A 7 -5.009 -9.039 -4.185 1.00 0.00 C ATOM 118 C VAL A 7 -5.221 -9.615 -2.790 1.00 0.00 C ATOM 119 O VAL A 7 -6.213 -9.288 -2.132 1.00 0.00 O ATOM 120 CB VAL A 7 -5.028 -7.464 -4.136 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.220 -6.898 -4.885 1.00 0.00 C ATOM 122 CG2 VAL A 7 -5.016 -6.912 -2.699 1.00 0.00 C ATOM 0 H VAL A 7 -6.956 -9.166 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.032 -9.304 -4.589 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.109 -7.143 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.201 -5.810 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.175 -7.210 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.141 -7.268 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.030 -5.822 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.894 -7.272 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.115 -7.250 -2.187 1.00 0.00 H new ATOM 132 N THR A 8 -4.326 -10.482 -2.327 1.00 0.00 N ATOM 133 CA THR A 8 -4.484 -11.058 -1.002 1.00 0.00 C ATOM 134 C THR A 8 -4.226 -9.989 0.047 1.00 0.00 C ATOM 135 O THR A 8 -3.152 -9.910 0.641 1.00 0.00 O ATOM 136 CB THR A 8 -3.577 -12.262 -0.812 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.338 -12.078 -1.470 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.206 -13.535 -1.324 1.00 0.00 C ATOM 0 H THR A 8 -3.501 -10.794 -2.839 1.00 0.00 H new ATOM 0 HA THR A 8 -5.507 -11.417 -0.889 1.00 0.00 H new ATOM 0 HB THR A 8 -3.417 -12.353 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.773 -12.866 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.521 -14.368 -1.167 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.136 -13.723 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.416 -13.434 -2.389 1.00 0.00 H new ATOM 146 N VAL A 9 -5.233 -9.147 0.218 1.00 0.00 N ATOM 147 CA VAL A 9 -5.190 -8.025 1.137 1.00 0.00 C ATOM 148 C VAL A 9 -5.756 -8.418 2.522 1.00 0.00 C ATOM 149 O VAL A 9 -5.537 -9.548 2.945 1.00 0.00 O ATOM 150 CB VAL A 9 -5.938 -6.844 0.477 1.00 0.00 C ATOM 151 CG1 VAL A 9 -7.434 -7.089 0.451 1.00 0.00 C ATOM 152 CG2 VAL A 9 -5.578 -5.509 1.110 1.00 0.00 C ATOM 0 H VAL A 9 -6.116 -9.227 -0.286 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.162 -7.717 1.330 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.604 -6.784 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.933 -6.242 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.644 -7.995 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.801 -7.207 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.128 -4.710 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.840 -5.526 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.508 -5.333 1.004 1.00 0.00 H new ATOM 162 N ASP A 10 -6.403 -7.475 3.243 1.00 0.00 N ATOM 163 CA ASP A 10 -6.930 -7.694 4.622 1.00 0.00 C ATOM 164 C ASP A 10 -6.046 -6.955 5.636 1.00 0.00 C ATOM 165 O ASP A 10 -6.120 -7.157 6.849 1.00 0.00 O ATOM 166 CB ASP A 10 -6.935 -9.159 4.980 1.00 0.00 C ATOM 167 CG ASP A 10 -7.762 -9.475 6.208 1.00 0.00 C ATOM 168 OD1 ASP A 10 -9.001 -9.360 6.131 1.00 0.00 O ATOM 169 OD2 ASP A 10 -7.169 -9.839 7.247 1.00 0.00 O ATOM 0 H ASP A 10 -6.578 -6.535 2.889 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.952 -7.315 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.319 -9.731 4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.909 -9.488 5.147 1.00 0.00 H new ATOM 174 N SER A 11 -5.234 -6.088 5.087 1.00 0.00 N ATOM 175 CA SER A 11 -4.306 -5.249 5.833 1.00 0.00 C ATOM 176 C SER A 11 -3.888 -4.054 4.983 1.00 0.00 C ATOM 177 O SER A 11 -3.754 -2.936 5.481 1.00 0.00 O ATOM 178 CB SER A 11 -3.072 -6.054 6.252 1.00 0.00 C ATOM 179 OG SER A 11 -2.680 -5.732 7.576 1.00 0.00 O ATOM 0 H SER A 11 -5.192 -5.935 4.079 1.00 0.00 H new ATOM 0 HA SER A 11 -4.806 -4.890 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.288 -7.120 6.182 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.250 -5.850 5.566 1.00 0.00 H new ATOM 0 HG SER A 11 -1.891 -6.260 7.821 1.00 0.00 H new ATOM 185 N ASP A 12 -3.662 -4.310 3.694 1.00 0.00 N ATOM 186 CA ASP A 12 -3.227 -3.290 2.752 1.00 0.00 C ATOM 187 C ASP A 12 -4.319 -2.231 2.426 1.00 0.00 C ATOM 188 O ASP A 12 -4.376 -1.714 1.321 1.00 0.00 O ATOM 189 CB ASP A 12 -2.730 -3.996 1.480 1.00 0.00 C ATOM 190 CG ASP A 12 -2.007 -5.302 1.762 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.674 -6.270 2.196 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.780 -5.359 1.546 1.00 0.00 O ATOM 0 H ASP A 12 -3.777 -5.234 3.277 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.422 -2.720 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.580 -4.193 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.060 -3.327 0.940 1.00 0.00 H new ATOM 197 N SER A 13 -5.152 -1.874 3.406 1.00 0.00 N ATOM 198 CA SER A 13 -6.186 -0.845 3.239 1.00 0.00 C ATOM 199 C SER A 13 -7.366 -1.277 2.370 1.00 0.00 C ATOM 200 O SER A 13 -8.250 -0.464 2.100 1.00 0.00 O ATOM 201 CB SER A 13 -5.566 0.423 2.656 1.00 0.00 C ATOM 202 OG SER A 13 -4.492 0.876 3.465 1.00 0.00 O ATOM 0 H SER A 13 -5.130 -2.288 4.338 1.00 0.00 H new ATOM 0 HA SER A 13 -6.588 -0.663 4.235 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.208 0.227 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.324 1.202 2.580 1.00 0.00 H new ATOM 0 HG SER A 13 -3.706 1.040 2.903 1.00 0.00 H new ATOM 208 N TYR A 14 -7.396 -2.533 1.925 1.00 0.00 N ATOM 209 CA TYR A 14 -8.495 -2.994 1.082 1.00 0.00 C ATOM 210 C TYR A 14 -9.852 -2.825 1.768 1.00 0.00 C ATOM 211 O TYR A 14 -10.785 -2.253 1.203 1.00 0.00 O ATOM 212 CB TYR A 14 -8.340 -4.465 0.711 1.00 0.00 C ATOM 213 CG TYR A 14 -9.670 -5.179 0.549 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.357 -5.143 -0.652 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.241 -5.867 1.612 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.575 -5.769 -0.794 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.457 -6.500 1.481 1.00 0.00 C ATOM 218 CZ TYR A 14 -12.125 -6.447 0.274 1.00 0.00 C ATOM 219 OH TYR A 14 -13.346 -7.066 0.134 1.00 0.00 O ATOM 0 H TYR A 14 -6.686 -3.236 2.130 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.458 -2.377 0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.777 -4.542 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.755 -4.968 1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.930 -4.615 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.722 -5.906 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.098 -5.729 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.885 -7.034 2.316 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.486 -7.686 0.880 1.00 0.00 H new ATOM 229 N GLN A 15 -9.963 -3.403 2.968 1.00 0.00 N ATOM 230 CA GLN A 15 -11.215 -3.406 3.722 1.00 0.00 C ATOM 231 C GLN A 15 -11.858 -2.022 3.837 1.00 0.00 C ATOM 232 O GLN A 15 -13.072 -1.910 3.731 1.00 0.00 O ATOM 233 CB GLN A 15 -10.995 -4.003 5.116 1.00 0.00 C ATOM 234 CG GLN A 15 -10.600 -5.477 5.106 1.00 0.00 C ATOM 235 CD GLN A 15 -11.482 -6.335 6.002 1.00 0.00 C ATOM 236 OE1 GLN A 15 -12.659 -6.036 6.209 1.00 0.00 O ATOM 237 NE2 GLN A 15 -10.931 -7.417 6.527 1.00 0.00 N ATOM 0 H GLN A 15 -9.193 -3.878 3.439 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.912 -4.027 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.218 -3.433 5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.909 -3.887 5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.652 -5.855 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.563 -5.572 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.953 -7.636 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.484 -8.033 7.123 1.00 0.00 H new ATOM 246 N LEU A 16 -11.065 -0.977 4.053 1.00 0.00 N ATOM 247 CA LEU A 16 -11.610 0.383 4.180 1.00 0.00 C ATOM 248 C LEU A 16 -12.473 0.787 2.969 1.00 0.00 C ATOM 249 O LEU A 16 -13.442 1.535 3.115 1.00 0.00 O ATOM 250 CB LEU A 16 -10.482 1.395 4.357 1.00 0.00 C ATOM 251 CG LEU A 16 -10.544 2.225 5.643 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.257 3.012 5.840 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.740 3.165 5.613 1.00 0.00 C ATOM 0 H LEU A 16 -10.051 -1.038 4.144 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.251 0.382 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.531 0.863 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.488 2.074 3.505 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.660 1.541 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.324 3.594 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.416 2.322 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.109 3.684 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.769 3.747 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.652 3.839 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.658 2.584 5.522 1.00 0.00 H new ATOM 265 N LEU A 17 -12.122 0.284 1.784 1.00 0.00 N ATOM 266 CA LEU A 17 -12.898 0.612 0.578 1.00 0.00 C ATOM 267 C LEU A 17 -14.198 -0.183 0.512 1.00 0.00 C ATOM 268 O LEU A 17 -15.283 0.382 0.364 1.00 0.00 O ATOM 269 CB LEU A 17 -12.101 0.426 -0.703 1.00 0.00 C ATOM 270 CG LEU A 17 -12.250 1.591 -1.679 1.00 0.00 C ATOM 271 CD1 LEU A 17 -10.912 2.223 -1.991 1.00 0.00 C ATOM 272 CD2 LEU A 17 -12.946 1.138 -2.946 1.00 0.00 C ATOM 0 H LEU A 17 -11.327 -0.337 1.630 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.142 1.671 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.047 0.303 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.422 -0.493 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.868 2.352 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.053 3.049 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.463 2.598 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.254 1.479 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.043 1.982 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.360 0.351 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.936 0.754 -2.700 1.00 0.00 H new ATOM 284 N LYS A 18 -14.089 -1.490 0.655 1.00 0.00 N ATOM 285 CA LYS A 18 -15.257 -2.364 0.645 1.00 0.00 C ATOM 286 C LYS A 18 -16.097 -2.115 1.888 1.00 0.00 C ATOM 287 O LYS A 18 -17.309 -2.328 1.896 1.00 0.00 O ATOM 288 CB LYS A 18 -14.812 -3.815 0.600 1.00 0.00 C ATOM 289 CG LYS A 18 -13.817 -4.109 1.692 1.00 0.00 C ATOM 290 CD LYS A 18 -14.320 -5.204 2.618 1.00 0.00 C ATOM 291 CE LYS A 18 -14.180 -4.798 4.073 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.718 -5.831 5.003 1.00 0.00 N ATOM 0 H LYS A 18 -13.201 -1.976 0.780 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.859 -2.150 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.678 -4.468 0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.367 -4.033 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.868 -4.411 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.627 -3.203 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.365 -5.420 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.760 -6.122 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.128 -4.621 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.704 -3.856 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.507 -5.430 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.055 -6.649 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.967 -6.136 5.655 1.00 0.00 H new ATOM 306 N ALA A 19 -15.424 -1.642 2.929 1.00 0.00 N ATOM 307 CA ALA A 19 -16.067 -1.321 4.191 1.00 0.00 C ATOM 308 C ALA A 19 -17.113 -0.243 3.974 1.00 0.00 C ATOM 309 O ALA A 19 -18.130 -0.207 4.667 1.00 0.00 O ATOM 310 CB ALA A 19 -15.046 -0.868 5.228 1.00 0.00 C ATOM 0 H ALA A 19 -14.418 -1.471 2.920 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.551 -2.221 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.556 -0.634 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.323 -1.665 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.528 0.020 4.865 1.00 0.00 H new ATOM 316 N TYR A 20 -16.868 0.626 2.989 1.00 0.00 N ATOM 317 CA TYR A 20 -17.812 1.671 2.683 1.00 0.00 C ATOM 318 C TYR A 20 -18.840 1.168 1.671 1.00 0.00 C ATOM 319 O TYR A 20 -20.033 1.380 1.886 1.00 0.00 O ATOM 320 CB TYR A 20 -17.114 2.992 2.274 1.00 0.00 C ATOM 321 CG TYR A 20 -16.501 3.078 0.887 1.00 0.00 C ATOM 322 CD1 TYR A 20 -17.231 2.805 -0.264 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.173 3.471 0.739 1.00 0.00 C ATOM 324 CE1 TYR A 20 -16.653 2.914 -1.517 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.595 3.586 -0.505 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.336 3.305 -1.630 1.00 0.00 C ATOM 327 OH TYR A 20 -14.764 3.429 -2.873 1.00 0.00 O ATOM 0 H TYR A 20 -16.032 0.617 2.405 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.361 1.927 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.843 3.797 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -16.326 3.191 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.265 2.503 -0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.585 3.690 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.231 2.694 -2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.564 3.895 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.927 3.934 -2.799 1.00 0.00 H new ATOM 337 N ASP A 21 -18.398 0.451 0.604 1.00 0.00 N ATOM 338 CA ASP A 21 -19.358 -0.108 -0.380 1.00 0.00 C ATOM 339 C ASP A 21 -18.721 -0.458 -1.724 1.00 0.00 C ATOM 340 O ASP A 21 -19.415 -0.486 -2.741 1.00 0.00 O ATOM 341 CB ASP A 21 -20.516 0.872 -0.645 1.00 0.00 C ATOM 342 CG ASP A 21 -21.881 0.247 -0.421 1.00 0.00 C ATOM 343 OD1 ASP A 21 -22.005 -0.625 0.466 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.828 0.630 -1.138 1.00 0.00 O ATOM 0 H ASP A 21 -17.417 0.252 0.408 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.724 -1.028 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.408 1.739 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.452 1.234 -1.671 1.00 0.00 H new ATOM 349 N VAL A 22 -17.417 -0.713 -1.755 1.00 0.00 N ATOM 350 CA VAL A 22 -16.750 -1.023 -3.014 1.00 0.00 C ATOM 351 C VAL A 22 -15.422 -1.726 -2.807 1.00 0.00 C ATOM 352 O VAL A 22 -14.421 -1.077 -2.524 1.00 0.00 O ATOM 353 CB VAL A 22 -16.473 0.282 -3.799 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.598 0.014 -5.016 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.762 0.965 -4.216 1.00 0.00 C ATOM 0 H VAL A 22 -16.809 -0.712 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.418 -1.685 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.937 0.954 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.420 0.948 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.646 -0.408 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.101 -0.691 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.529 1.878 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.339 0.295 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -18.345 1.214 -3.329 1.00 0.00 H new ATOM 365 N ASN A 23 -15.386 -3.045 -2.982 1.00 0.00 N ATOM 366 CA ASN A 23 -14.123 -3.758 -2.857 1.00 0.00 C ATOM 367 C ASN A 23 -13.178 -3.143 -3.894 1.00 0.00 C ATOM 368 O ASN A 23 -12.403 -2.244 -3.578 1.00 0.00 O ATOM 369 CB ASN A 23 -14.311 -5.275 -3.072 1.00 0.00 C ATOM 370 CG ASN A 23 -15.597 -5.797 -2.462 1.00 0.00 C ATOM 371 OD1 ASN A 23 -16.681 -5.539 -2.977 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.489 -6.526 -1.361 1.00 0.00 N ATOM 0 H ASN A 23 -16.194 -3.626 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.709 -3.656 -1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.307 -5.490 -4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.465 -5.807 -2.637 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.326 -6.895 -0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.569 -6.718 -0.965 1.00 0.00 H new ATOM 379 N ILE A 24 -13.278 -3.595 -5.138 1.00 0.00 N ATOM 380 CA ILE A 24 -12.450 -3.026 -6.198 1.00 0.00 C ATOM 381 C ILE A 24 -12.942 -3.278 -7.615 1.00 0.00 C ATOM 382 O ILE A 24 -12.287 -2.824 -8.553 1.00 0.00 O ATOM 383 CB ILE A 24 -10.981 -3.456 -6.127 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.777 -4.544 -5.102 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.107 -2.259 -5.807 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.673 -5.729 -5.334 1.00 0.00 C ATOM 0 H ILE A 24 -13.910 -4.338 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.537 -1.959 -5.994 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.696 -3.858 -7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.737 -4.869 -5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.964 -4.141 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.064 -2.573 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.223 -1.505 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.404 -1.838 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.486 -6.482 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.715 -5.413 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.469 -6.152 -6.317 1.00 0.00 H new ATOM 398 N SER A 25 -14.049 -4.005 -7.794 1.00 0.00 N ATOM 399 CA SER A 25 -14.525 -4.290 -9.150 1.00 0.00 C ATOM 400 C SER A 25 -14.326 -3.053 -10.039 1.00 0.00 C ATOM 401 O SER A 25 -13.548 -3.084 -11.005 1.00 0.00 O ATOM 402 CB SER A 25 -15.998 -4.714 -9.138 1.00 0.00 C ATOM 403 OG SER A 25 -16.686 -4.242 -10.285 1.00 0.00 O ATOM 0 H SER A 25 -14.617 -4.396 -7.043 1.00 0.00 H new ATOM 0 HA SER A 25 -13.945 -5.118 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.064 -5.801 -9.095 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.481 -4.330 -8.239 1.00 0.00 H new ATOM 0 HG SER A 25 -17.622 -4.531 -10.247 1.00 0.00 H new ATOM 409 N GLY A 26 -15.006 -1.956 -9.692 1.00 0.00 N ATOM 410 CA GLY A 26 -14.869 -0.718 -10.445 1.00 0.00 C ATOM 411 C GLY A 26 -13.617 0.065 -10.071 1.00 0.00 C ATOM 412 O GLY A 26 -13.017 0.718 -10.925 1.00 0.00 O ATOM 0 H GLY A 26 -15.649 -1.905 -8.902 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.844 -0.947 -11.510 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.747 -0.095 -10.273 1.00 0.00 H new ATOM 416 N LEU A 27 -13.212 -0.006 -8.793 1.00 0.00 N ATOM 417 CA LEU A 27 -12.022 0.693 -8.316 1.00 0.00 C ATOM 418 C LEU A 27 -10.783 0.248 -9.073 1.00 0.00 C ATOM 419 O LEU A 27 -10.128 1.061 -9.722 1.00 0.00 O ATOM 420 CB LEU A 27 -11.809 0.437 -6.831 1.00 0.00 C ATOM 421 CG LEU A 27 -10.727 1.296 -6.193 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.179 2.743 -6.136 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.390 0.768 -4.811 1.00 0.00 C ATOM 0 H LEU A 27 -13.697 -0.544 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.182 1.758 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.749 0.610 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.553 -0.613 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.823 1.248 -6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.398 3.350 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.373 3.104 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.091 2.816 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.615 1.390 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.282 0.793 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.031 -0.258 -4.891 1.00 0.00 H new ATOM 435 N VAL A 28 -10.463 -1.044 -8.979 1.00 0.00 N ATOM 436 CA VAL A 28 -9.299 -1.596 -9.666 1.00 0.00 C ATOM 437 C VAL A 28 -9.298 -1.155 -11.129 1.00 0.00 C ATOM 438 O VAL A 28 -8.459 -0.370 -11.538 1.00 0.00 O ATOM 439 CB VAL A 28 -9.276 -3.137 -9.568 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.480 -3.765 -10.701 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.704 -3.560 -8.232 1.00 0.00 C ATOM 0 H VAL A 28 -10.993 -1.724 -8.435 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.401 -1.216 -9.180 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.303 -3.491 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.489 -4.850 -10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.928 -3.491 -11.656 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.452 -3.406 -10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.691 -4.648 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.688 -3.179 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.321 -3.158 -7.428 1.00 0.00 H new ATOM 451 N SER A 29 -10.253 -1.662 -11.897 1.00 0.00 N ATOM 452 CA SER A 29 -10.388 -1.348 -13.315 1.00 0.00 C ATOM 453 C SER A 29 -10.288 0.158 -13.597 1.00 0.00 C ATOM 454 O SER A 29 -9.621 0.554 -14.552 1.00 0.00 O ATOM 455 CB SER A 29 -11.751 -1.847 -13.793 1.00 0.00 C ATOM 456 OG SER A 29 -12.779 -1.474 -12.880 1.00 0.00 O ATOM 0 H SER A 29 -10.962 -2.308 -11.551 1.00 0.00 H new ATOM 0 HA SER A 29 -9.570 -1.837 -13.845 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.968 -1.435 -14.779 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.729 -2.932 -13.898 1.00 0.00 H new ATOM 0 HG SER A 29 -12.935 -2.205 -12.246 1.00 0.00 H new ATOM 462 N THR A 30 -10.906 0.997 -12.764 1.00 0.00 N ATOM 463 CA THR A 30 -10.821 2.443 -12.953 1.00 0.00 C ATOM 464 C THR A 30 -9.413 2.899 -12.636 1.00 0.00 C ATOM 465 O THR A 30 -8.774 3.620 -13.405 1.00 0.00 O ATOM 466 CB THR A 30 -11.803 3.175 -12.031 1.00 0.00 C ATOM 467 OG1 THR A 30 -13.080 3.271 -12.631 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.355 4.578 -11.660 1.00 0.00 C ATOM 0 H THR A 30 -11.464 0.704 -11.962 1.00 0.00 H new ATOM 0 HA THR A 30 -11.076 2.675 -13.987 1.00 0.00 H new ATOM 0 HB THR A 30 -11.841 2.576 -11.121 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.633 2.513 -12.347 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.097 5.036 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.397 4.529 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.249 5.177 -12.564 1.00 0.00 H new ATOM 476 N THR A 31 -8.944 2.464 -11.478 1.00 0.00 N ATOM 477 CA THR A 31 -7.621 2.804 -11.012 1.00 0.00 C ATOM 478 C THR A 31 -6.549 2.236 -11.934 1.00 0.00 C ATOM 479 O THR A 31 -5.448 2.785 -12.044 1.00 0.00 O ATOM 480 CB THR A 31 -7.384 2.290 -9.595 1.00 0.00 C ATOM 481 OG1 THR A 31 -8.485 2.576 -8.753 1.00 0.00 O ATOM 482 CG2 THR A 31 -6.150 2.885 -8.968 1.00 0.00 C ATOM 0 H THR A 31 -9.472 1.868 -10.841 1.00 0.00 H new ATOM 0 HA THR A 31 -7.554 3.892 -11.013 1.00 0.00 H new ATOM 0 HB THR A 31 -7.252 1.212 -9.690 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.199 1.924 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.026 2.487 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.277 2.630 -9.569 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.253 3.969 -8.920 1.00 0.00 H new ATOM 490 N MET A 32 -6.876 1.121 -12.577 1.00 0.00 N ATOM 491 CA MET A 32 -5.955 0.448 -13.470 1.00 0.00 C ATOM 492 C MET A 32 -5.455 1.378 -14.566 1.00 0.00 C ATOM 493 O MET A 32 -4.260 1.450 -14.796 1.00 0.00 O ATOM 494 CB MET A 32 -6.601 -0.805 -14.061 1.00 0.00 C ATOM 495 CG MET A 32 -6.794 -1.911 -13.039 1.00 0.00 C ATOM 496 SD MET A 32 -5.461 -3.110 -13.066 1.00 0.00 S ATOM 497 CE MET A 32 -5.634 -3.856 -11.458 1.00 0.00 C ATOM 0 H MET A 32 -7.784 0.664 -12.491 1.00 0.00 H new ATOM 0 HA MET A 32 -5.086 0.143 -12.886 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.568 -0.541 -14.489 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.981 -1.176 -14.877 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.865 -1.473 -12.043 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.739 -2.419 -13.232 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.652 -4.142 -11.082 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.091 -3.142 -10.773 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.266 -4.741 -11.534 1.00 0.00 H new ATOM 507 N GLN A 33 -6.354 2.112 -15.219 1.00 0.00 N ATOM 508 CA GLN A 33 -5.936 3.057 -16.258 1.00 0.00 C ATOM 509 C GLN A 33 -4.931 4.034 -15.666 1.00 0.00 C ATOM 510 O GLN A 33 -3.806 4.168 -16.147 1.00 0.00 O ATOM 511 CB GLN A 33 -7.127 3.844 -16.803 1.00 0.00 C ATOM 512 CG GLN A 33 -8.101 3.025 -17.633 1.00 0.00 C ATOM 513 CD GLN A 33 -9.533 3.148 -17.145 1.00 0.00 C ATOM 514 OE1 GLN A 33 -9.929 4.164 -16.581 1.00 0.00 O ATOM 515 NE2 GLN A 33 -10.318 2.109 -17.364 1.00 0.00 N ATOM 0 H GLN A 33 -7.360 2.074 -15.053 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.490 2.492 -17.076 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.667 4.287 -15.966 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.753 4.667 -17.412 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.047 3.348 -18.673 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.802 1.977 -17.608 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.951 1.283 -17.836 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.292 2.133 -17.061 1.00 0.00 H new ATOM 524 N ASN A 34 -5.363 4.714 -14.611 1.00 0.00 N ATOM 525 CA ASN A 34 -4.534 5.690 -13.916 1.00 0.00 C ATOM 526 C ASN A 34 -3.173 5.101 -13.567 1.00 0.00 C ATOM 527 O ASN A 34 -2.145 5.683 -13.902 1.00 0.00 O ATOM 528 CB ASN A 34 -5.252 6.163 -12.650 1.00 0.00 C ATOM 529 CG ASN A 34 -5.215 7.661 -12.454 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.270 8.338 -12.853 1.00 0.00 O ATOM 531 ND2 ASN A 34 -6.254 8.181 -11.819 1.00 0.00 N ATOM 0 H ASN A 34 -6.296 4.604 -14.214 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.369 6.542 -14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.291 5.836 -12.689 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.798 5.681 -11.784 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.293 9.185 -11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.015 7.578 -11.507 1.00 0.00 H new ATOM 538 N GLU A 35 -3.165 3.931 -12.930 1.00 0.00 N ATOM 539 CA GLU A 35 -1.907 3.278 -12.588 1.00 0.00 C ATOM 540 C GLU A 35 -1.207 2.803 -13.856 1.00 0.00 C ATOM 541 O GLU A 35 0.013 2.910 -13.979 1.00 0.00 O ATOM 542 CB GLU A 35 -2.128 2.117 -11.620 1.00 0.00 C ATOM 543 CG GLU A 35 -1.026 1.991 -10.572 1.00 0.00 C ATOM 544 CD GLU A 35 -0.722 3.303 -9.873 1.00 0.00 C ATOM 545 OE1 GLU A 35 -1.355 3.596 -8.838 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.150 4.048 -10.362 1.00 0.00 O ATOM 0 H GLU A 35 -4.003 3.424 -12.645 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.269 4.004 -12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.086 2.249 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.191 1.187 -12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.321 1.250 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.119 1.621 -11.049 1.00 0.00 H new ATOM 553 N ALA A 36 -1.991 2.335 -14.827 1.00 0.00 N ATOM 554 CA ALA A 36 -1.454 1.909 -16.110 1.00 0.00 C ATOM 555 C ALA A 36 -0.709 3.074 -16.735 1.00 0.00 C ATOM 556 O ALA A 36 0.397 2.918 -17.257 1.00 0.00 O ATOM 557 CB ALA A 36 -2.578 1.440 -17.023 1.00 0.00 C ATOM 0 H ALA A 36 -3.003 2.243 -14.744 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.769 1.073 -15.966 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.162 1.124 -17.980 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.098 0.602 -16.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.280 2.258 -17.185 1.00 0.00 H new ATOM 563 N ARG A 37 -1.322 4.255 -16.639 1.00 0.00 N ATOM 564 CA ARG A 37 -0.721 5.472 -17.149 1.00 0.00 C ATOM 565 C ARG A 37 0.438 5.889 -16.271 1.00 0.00 C ATOM 566 O ARG A 37 1.539 6.166 -16.744 1.00 0.00 O ATOM 567 CB ARG A 37 -1.733 6.600 -17.133 1.00 0.00 C ATOM 568 CG ARG A 37 -2.243 6.974 -18.507 1.00 0.00 C ATOM 569 CD ARG A 37 -1.238 7.833 -19.249 1.00 0.00 C ATOM 570 NE ARG A 37 -1.821 9.115 -19.637 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.320 9.930 -20.551 1.00 0.00 C ATOM 572 NH1 ARG A 37 -0.188 9.645 -21.163 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.963 11.038 -20.846 1.00 0.00 N ATOM 0 H ARG A 37 -2.238 4.387 -16.210 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.380 5.277 -18.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.577 6.311 -16.507 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.280 7.477 -16.671 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.447 6.070 -19.081 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.187 7.512 -18.414 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.366 8.004 -18.618 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.890 7.305 -20.137 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.679 9.404 -19.168 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.314 8.787 -20.934 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.186 10.283 -21.866 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.838 11.261 -20.372 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.587 11.674 -21.549 1.00 0.00 H new ATOM 587 N ARG A 38 0.143 5.969 -14.984 1.00 0.00 N ATOM 588 CA ARG A 38 1.106 6.393 -13.989 1.00 0.00 C ATOM 589 C ARG A 38 2.415 5.596 -14.047 1.00 0.00 C ATOM 590 O ARG A 38 3.477 6.172 -13.829 1.00 0.00 O ATOM 591 CB ARG A 38 0.504 6.289 -12.586 1.00 0.00 C ATOM 592 CG ARG A 38 0.555 7.587 -11.796 1.00 0.00 C ATOM 593 CD ARG A 38 1.161 7.375 -10.419 1.00 0.00 C ATOM 594 NE ARG A 38 0.347 6.470 -9.598 1.00 0.00 N ATOM 595 CZ ARG A 38 -0.253 6.806 -8.458 1.00 0.00 C ATOM 596 NH1 ARG A 38 -0.141 8.024 -7.958 1.00 0.00 N ATOM 597 NH2 ARG A 38 -0.969 5.911 -7.811 1.00 0.00 N ATOM 0 H ARG A 38 -0.775 5.740 -14.602 1.00 0.00 H new ATOM 0 HA ARG A 38 1.348 7.431 -14.215 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.534 5.967 -12.670 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.034 5.516 -12.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.141 8.325 -12.343 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.452 7.992 -11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.166 6.966 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.259 8.336 -9.913 1.00 0.00 H new ATOM 0 HE ARG A 38 0.232 5.511 -9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.413 8.727 -8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.609 8.261 -7.083 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.062 4.966 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.431 6.162 -6.937 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.887 -12.625 5.311 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.887 -12.694 3.849 1.00 0.00 C ATOM 1186 C LYS B 102 -6.305 -12.755 3.295 1.00 0.00 C ATOM 1187 O LYS B 102 -6.908 -13.833 3.206 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.091 -13.899 3.331 1.00 0.00 C ATOM 1189 CG LYS B 102 -4.322 -15.195 4.106 1.00 0.00 C ATOM 1190 CD LYS B 102 -5.170 -16.183 3.314 1.00 0.00 C ATOM 1191 CE LYS B 102 -6.262 -16.808 4.172 1.00 0.00 C ATOM 1192 NZ LYS B 102 -7.388 -15.859 4.420 1.00 0.00 N ATOM 0 HA LYS B 102 -4.404 -11.781 3.500 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.349 -14.066 2.285 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -3.029 -13.657 3.363 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -3.362 -15.651 4.347 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -4.814 -14.970 5.052 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -5.623 -15.673 2.464 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -4.531 -16.968 2.911 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.643 -17.703 3.679 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.838 -17.125 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.523 -15.740 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -7.167 -14.938 3.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.260 -16.237 3.998 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.824 -11.601 2.905 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.154 -11.526 2.335 1.00 0.00 C ATOM 1208 C GLN B 103 -8.064 -11.488 0.833 1.00 0.00 C ATOM 1209 O GLN B 103 -7.601 -10.510 0.240 1.00 0.00 O ATOM 1210 CB GLN B 103 -8.927 -10.308 2.857 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.232 -10.059 2.117 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.332 -11.017 2.524 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.085 -12.198 2.752 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.555 -10.519 2.608 1.00 0.00 N ATOM 0 H GLN B 103 -6.342 -10.705 2.974 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.704 -12.416 2.641 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.140 -10.449 3.917 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.296 -9.423 2.773 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.560 -9.036 2.303 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.058 -10.147 1.045 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.718 -9.532 2.410 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.334 -11.122 2.870 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.482 -12.577 0.219 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.413 -12.678 -1.213 1.00 0.00 C ATOM 1225 C ARG B 104 -9.550 -11.921 -1.874 1.00 0.00 C ATOM 1226 O ARG B 104 -10.668 -12.423 -1.998 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.445 -14.132 -1.655 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.500 -14.420 -2.804 1.00 0.00 C ATOM 1229 CD ARG B 104 -7.298 -15.908 -2.986 1.00 0.00 C ATOM 1230 NE ARG B 104 -5.915 -16.311 -2.719 1.00 0.00 N ATOM 1231 CZ ARG B 104 -5.385 -16.459 -1.511 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.118 -16.308 -0.428 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.116 -16.788 -1.396 1.00 0.00 N ATOM 0 H ARG B 104 -8.869 -13.395 0.690 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.469 -12.231 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.186 -14.769 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.461 -14.394 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -7.898 -13.989 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.539 -13.940 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -7.969 -16.449 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -7.567 -16.189 -4.004 1.00 0.00 H new ATOM 0 HE ARG B 104 -5.313 -16.492 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.107 -16.074 -0.510 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -5.697 -16.425 0.493 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -3.548 -16.927 -2.231 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -3.701 -16.904 -0.471 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.237 -10.726 -2.339 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.202 -9.910 -3.044 1.00 0.00 C ATOM 1249 C ILE B 105 -9.880 -10.020 -4.517 1.00 0.00 C ATOM 1250 O ILE B 105 -8.741 -9.776 -4.922 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.168 -8.435 -2.594 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.005 -7.700 -3.267 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -10.060 -8.360 -1.078 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.020 -6.204 -3.064 1.00 0.00 C ATOM 0 H ILE B 105 -8.316 -10.299 -2.239 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.209 -10.267 -2.826 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.094 -7.946 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.066 -8.099 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.026 -7.911 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -10.036 -7.316 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.921 -8.854 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.145 -8.856 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.164 -5.759 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.941 -5.790 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.966 -5.981 -1.998 1.00 0.00 H new ATOM 1266 N THR B 106 -10.835 -10.438 -5.316 1.00 0.00 N ATOM 1267 CA THR B 106 -10.557 -10.610 -6.722 1.00 0.00 C ATOM 1268 C THR B 106 -11.604 -9.956 -7.619 1.00 0.00 C ATOM 1269 O THR B 106 -12.782 -10.310 -7.577 1.00 0.00 O ATOM 1270 CB THR B 106 -10.374 -12.114 -7.060 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.069 -12.470 -8.242 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.822 -13.071 -5.965 1.00 0.00 C ATOM 0 H THR B 106 -11.787 -10.660 -5.026 1.00 0.00 H new ATOM 0 HA THR B 106 -9.621 -10.092 -6.929 1.00 0.00 H new ATOM 0 HB THR B 106 -9.296 -12.220 -7.183 1.00 0.00 H new ATOM 0 HG1 THR B 106 -11.831 -13.043 -8.014 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.657 -14.098 -6.290 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.248 -12.880 -5.058 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.882 -12.921 -5.762 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.143 -9.056 -8.499 1.00 0.00 N ATOM 1281 CA VAL B 107 -12.015 -8.422 -9.487 1.00 0.00 C ATOM 1282 C VAL B 107 -11.788 -9.158 -10.796 1.00 0.00 C ATOM 1283 O VAL B 107 -10.817 -8.892 -11.498 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.748 -6.888 -9.692 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.287 -6.535 -9.476 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -12.184 -6.419 -11.090 1.00 0.00 C ATOM 0 H VAL B 107 -10.170 -8.753 -8.543 1.00 0.00 H new ATOM 0 HA VAL B 107 -13.043 -8.488 -9.131 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.347 -6.371 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.145 -5.465 -9.627 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.995 -6.800 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.671 -7.087 -10.186 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.984 -5.353 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.627 -6.969 -11.848 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -13.251 -6.602 -11.219 1.00 0.00 H new ATOM 1296 N THR B 108 -12.645 -10.115 -11.104 1.00 0.00 N ATOM 1297 CA THR B 108 -12.489 -10.893 -12.317 1.00 0.00 C ATOM 1298 C THR B 108 -12.755 -10.024 -13.540 1.00 0.00 C ATOM 1299 O THR B 108 -13.905 -9.843 -13.943 1.00 0.00 O ATOM 1300 CB THR B 108 -13.417 -12.101 -12.271 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.769 -11.713 -12.101 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.073 -13.053 -11.170 1.00 0.00 C ATOM 0 H THR B 108 -13.451 -10.370 -10.534 1.00 0.00 H new ATOM 0 HA THR B 108 -11.463 -11.255 -12.391 1.00 0.00 H new ATOM 0 HB THR B 108 -13.283 -12.600 -13.231 1.00 0.00 H new ATOM 0 HG1 THR B 108 -14.955 -10.926 -12.654 1.00 0.00 H new ATOM 0 HG21 THR B 108 -13.767 -13.893 -11.186 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.056 -13.419 -11.310 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.145 -12.541 -10.210 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.680 -9.463 -14.106 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.798 -8.579 -15.264 1.00 0.00 C ATOM 1312 C VAL B 109 -11.107 -9.132 -16.525 1.00 0.00 C ATOM 1313 O VAL B 109 -11.646 -10.034 -17.169 1.00 0.00 O ATOM 1314 CB VAL B 109 -11.285 -7.144 -14.955 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -12.421 -6.272 -14.451 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -10.138 -7.162 -13.949 1.00 0.00 C ATOM 0 H VAL B 109 -10.724 -9.607 -13.780 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.866 -8.528 -15.478 1.00 0.00 H new ATOM 0 HB VAL B 109 -10.902 -6.722 -15.884 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -12.045 -5.271 -14.239 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -13.200 -6.214 -15.211 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -12.835 -6.704 -13.540 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -9.806 -6.142 -13.758 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.478 -7.613 -13.017 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.309 -7.744 -14.352 1.00 0.00 H new ATOM 1326 N ASP B 110 -9.974 -8.518 -16.928 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.277 -8.873 -18.182 1.00 0.00 C ATOM 1328 C ASP B 110 -9.980 -8.150 -19.329 1.00 0.00 C ATOM 1329 O ASP B 110 -9.965 -8.555 -20.491 1.00 0.00 O ATOM 1330 CB ASP B 110 -9.341 -10.346 -18.434 1.00 0.00 C ATOM 1331 CG ASP B 110 -8.041 -10.934 -18.957 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -7.004 -10.226 -18.940 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -8.051 -12.108 -19.370 1.00 0.00 O ATOM 0 H ASP B 110 -9.522 -7.771 -16.400 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.229 -8.582 -18.106 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -9.612 -10.853 -17.508 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -10.136 -10.549 -19.152 1.00 0.00 H new ATOM 1338 N SER B 111 -10.588 -7.071 -18.926 1.00 0.00 N ATOM 1339 CA SER B 111 -11.348 -6.187 -19.793 1.00 0.00 C ATOM 1340 C SER B 111 -11.330 -4.755 -19.272 1.00 0.00 C ATOM 1341 O SER B 111 -10.938 -3.834 -19.992 1.00 0.00 O ATOM 1342 CB SER B 111 -12.794 -6.680 -19.905 1.00 0.00 C ATOM 1343 OG SER B 111 -13.334 -6.976 -18.622 1.00 0.00 O ATOM 0 H SER B 111 -10.574 -6.763 -17.954 1.00 0.00 H new ATOM 0 HA SER B 111 -10.882 -6.198 -20.778 1.00 0.00 H new ATOM 0 HB2 SER B 111 -13.404 -5.920 -20.393 1.00 0.00 H new ATOM 0 HB3 SER B 111 -12.831 -7.570 -20.533 1.00 0.00 H new ATOM 0 HG SER B 111 -14.258 -7.287 -18.720 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.797 -4.561 -18.031 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.876 -3.227 -17.450 1.00 0.00 C ATOM 1351 C ASP B 112 -10.507 -2.642 -17.063 1.00 0.00 C ATOM 1352 O ASP B 112 -10.277 -2.282 -15.914 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.823 -3.254 -16.246 1.00 0.00 C ATOM 1354 CG ASP B 112 -14.212 -3.735 -16.615 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -14.747 -3.276 -17.647 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.763 -4.576 -15.876 1.00 0.00 O ATOM 0 H ASP B 112 -12.122 -5.309 -17.419 1.00 0.00 H new ATOM 0 HA ASP B 112 -12.269 -2.562 -18.219 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -12.409 -3.905 -15.476 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.890 -2.254 -15.817 1.00 0.00 H new ATOM 1361 N SER B 113 -9.613 -2.512 -18.043 1.00 0.00 N ATOM 1362 CA SER B 113 -8.284 -1.920 -17.825 1.00 0.00 C ATOM 1363 C SER B 113 -7.408 -2.662 -16.812 1.00 0.00 C ATOM 1364 O SER B 113 -6.284 -2.230 -16.552 1.00 0.00 O ATOM 1365 CB SER B 113 -8.447 -0.475 -17.373 1.00 0.00 C ATOM 1366 OG SER B 113 -8.977 0.325 -18.421 1.00 0.00 O ATOM 0 H SER B 113 -9.783 -2.810 -19.004 1.00 0.00 H new ATOM 0 HA SER B 113 -7.767 -1.993 -18.782 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.108 -0.432 -16.507 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.483 -0.077 -17.058 1.00 0.00 H new ATOM 0 HG SER B 113 -9.780 -0.103 -18.785 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.882 -3.780 -16.267 1.00 0.00 N ATOM 1373 CA TYR B 114 -7.072 -4.539 -15.316 1.00 0.00 C ATOM 1374 C TYR B 114 -5.772 -4.986 -15.991 1.00 0.00 C ATOM 1375 O TYR B 114 -4.678 -4.833 -15.445 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.809 -5.770 -14.798 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.868 -6.918 -14.507 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -6.101 -6.938 -13.345 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.711 -7.953 -15.414 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.217 -7.965 -13.094 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.823 -8.979 -15.176 1.00 0.00 C ATOM 1382 CZ TYR B 114 -5.079 -8.983 -14.013 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.191 -10.005 -13.776 1.00 0.00 O ATOM 0 H TYR B 114 -8.802 -4.174 -16.461 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.860 -3.886 -14.469 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.354 -5.510 -13.891 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.548 -6.086 -15.534 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.200 -6.136 -12.629 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.294 -7.956 -16.323 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.636 -7.972 -12.183 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.709 -9.776 -15.896 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.350 -9.635 -13.436 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.930 -5.584 -17.173 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.810 -6.125 -17.947 1.00 0.00 C ATOM 1395 C GLN B 115 -3.644 -5.142 -18.112 1.00 0.00 C ATOM 1396 O GLN B 115 -2.495 -5.560 -18.038 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.279 -6.615 -19.332 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.771 -6.926 -19.430 1.00 0.00 C ATOM 1399 CD GLN B 115 -7.619 -5.700 -19.718 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -7.954 -4.943 -18.809 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.976 -5.497 -20.975 1.00 0.00 N ATOM 0 H GLN B 115 -6.838 -5.707 -17.621 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.435 -6.968 -17.366 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.031 -5.856 -20.074 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.717 -7.512 -19.594 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.931 -7.664 -20.216 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -7.103 -7.379 -18.496 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.678 -6.148 -21.701 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -8.549 -4.689 -21.218 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.907 -3.855 -18.330 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.804 -2.893 -18.482 1.00 0.00 C ATOM 1412 C LEU B 116 -1.867 -2.961 -17.264 1.00 0.00 C ATOM 1413 O LEU B 116 -0.650 -3.005 -17.409 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.333 -1.467 -18.675 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.888 -0.784 -19.973 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.536 0.584 -20.111 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.372 -0.660 -20.023 1.00 0.00 C ATOM 0 H LEU B 116 -4.843 -3.457 -18.405 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.240 -3.163 -19.375 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.422 -1.493 -18.650 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.009 -0.858 -17.831 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.211 -1.404 -20.809 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.206 1.051 -21.039 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.620 0.473 -20.126 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.247 1.210 -19.267 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.077 -0.173 -20.952 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.027 -0.066 -19.177 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.924 -1.653 -19.976 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.465 -2.985 -16.074 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.683 -3.067 -14.829 1.00 0.00 C ATOM 1431 C LEU B 117 -0.777 -4.294 -14.837 1.00 0.00 C ATOM 1432 O LEU B 117 0.436 -4.190 -14.647 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.573 -3.129 -13.607 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.464 -1.926 -12.674 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.012 -1.657 -12.317 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -3.080 -0.702 -13.317 1.00 0.00 C ATOM 0 H LEU B 117 -3.475 -2.950 -15.940 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.080 -2.160 -14.780 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.608 -3.225 -13.934 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.331 -4.031 -13.044 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.010 -2.152 -11.758 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.955 -0.796 -11.651 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.592 -2.530 -11.818 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.446 -1.452 -13.226 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.994 0.147 -12.639 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.558 -0.478 -14.247 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -4.132 -0.893 -13.528 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.384 -5.451 -15.072 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.657 -6.716 -15.125 1.00 0.00 C ATOM 1450 C LYS B 118 0.239 -6.766 -16.355 1.00 0.00 C ATOM 1451 O LYS B 118 1.256 -7.456 -16.370 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.626 -7.903 -15.096 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.726 -7.815 -16.137 1.00 0.00 C ATOM 1454 CD LYS B 118 -3.107 -9.203 -16.660 1.00 0.00 C ATOM 1455 CE LYS B 118 -4.130 -9.127 -17.783 1.00 0.00 C ATOM 1456 NZ LYS B 118 -4.652 -10.467 -18.177 1.00 0.00 N ATOM 0 H LYS B 118 -2.388 -5.540 -15.230 1.00 0.00 H new ATOM 0 HA LYS B 118 -0.022 -6.785 -14.242 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -1.064 -8.824 -15.251 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -2.078 -7.968 -14.106 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.603 -7.334 -15.703 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.396 -7.189 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -2.213 -9.714 -17.018 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.510 -9.801 -15.842 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -4.961 -8.495 -17.470 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -3.676 -8.649 -18.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -5.539 -10.352 -18.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -3.951 -10.951 -18.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -4.830 -11.035 -17.324 1.00 0.00 H new ATOM 1470 N ALA B 119 -0.146 -6.003 -17.371 1.00 0.00 N ATOM 1471 CA ALA B 119 0.616 -5.914 -18.613 1.00 0.00 C ATOM 1472 C ALA B 119 2.058 -5.495 -18.322 1.00 0.00 C ATOM 1473 O ALA B 119 2.981 -5.864 -19.049 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.046 -4.945 -19.584 1.00 0.00 C ATOM 0 H ALA B 119 -0.990 -5.431 -17.359 1.00 0.00 H new ATOM 0 HA ALA B 119 0.632 -6.898 -19.081 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.539 -4.894 -20.503 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.054 -5.292 -19.814 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.097 -3.955 -19.131 1.00 0.00 H new ATOM 1480 N TYR B 120 2.240 -4.753 -17.223 1.00 0.00 N ATOM 1481 CA TYR B 120 3.559 -4.318 -16.792 1.00 0.00 C ATOM 1482 C TYR B 120 4.161 -5.399 -15.900 1.00 0.00 C ATOM 1483 O TYR B 120 5.338 -5.731 -16.039 1.00 0.00 O ATOM 1484 CB TYR B 120 3.489 -2.996 -16.015 1.00 0.00 C ATOM 1485 CG TYR B 120 2.875 -1.847 -16.780 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.640 -1.048 -17.621 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.529 -1.555 -16.647 1.00 0.00 C ATOM 1488 CE1 TYR B 120 3.074 0.007 -18.309 1.00 0.00 C ATOM 1489 CE2 TYR B 120 0.955 -0.504 -17.330 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.732 0.274 -18.161 1.00 0.00 C ATOM 1491 OH TYR B 120 1.168 1.323 -18.844 1.00 0.00 O ATOM 0 H TYR B 120 1.480 -4.443 -16.617 1.00 0.00 H new ATOM 0 HA TYR B 120 4.178 -4.155 -17.674 1.00 0.00 H new ATOM 0 HB2 TYR B 120 2.914 -3.156 -15.103 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.497 -2.715 -15.711 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.693 -1.255 -17.738 1.00 0.00 H new ATOM 0 HD2 TYR B 120 0.917 -2.162 -15.996 1.00 0.00 H new ATOM 0 HE1 TYR B 120 3.681 0.619 -18.960 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -0.098 -0.291 -17.215 1.00 0.00 H new ATOM 0 HH TYR B 120 1.121 2.107 -18.258 1.00 0.00 H new ATOM 1501 N ASP B 121 3.312 -5.944 -15.000 1.00 0.00 N ATOM 1502 CA ASP B 121 3.689 -7.022 -14.060 1.00 0.00 C ATOM 1503 C ASP B 121 3.546 -6.551 -12.616 1.00 0.00 C ATOM 1504 O ASP B 121 4.516 -6.471 -11.859 1.00 0.00 O ATOM 1505 CB ASP B 121 5.102 -7.561 -14.314 1.00 0.00 C ATOM 1506 CG ASP B 121 5.340 -8.900 -13.646 1.00 0.00 C ATOM 1507 OD1 ASP B 121 4.657 -9.878 -14.019 1.00 0.00 O ATOM 1508 OD2 ASP B 121 6.207 -8.972 -12.751 1.00 0.00 O ATOM 0 H ASP B 121 2.341 -5.646 -14.905 1.00 0.00 H new ATOM 0 HA ASP B 121 2.999 -7.848 -14.235 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.262 -7.660 -15.388 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.834 -6.841 -13.948 1.00 0.00 H new ATOM 1513 N VAL B 122 2.317 -6.211 -12.263 1.00 0.00 N ATOM 1514 CA VAL B 122 2.008 -5.714 -10.931 1.00 0.00 C ATOM 1515 C VAL B 122 0.579 -6.030 -10.509 1.00 0.00 C ATOM 1516 O VAL B 122 0.322 -6.236 -9.320 1.00 0.00 O ATOM 1517 CB VAL B 122 2.263 -4.194 -10.861 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.110 -3.413 -11.465 1.00 0.00 C ATOM 1519 CG2 VAL B 122 2.525 -3.755 -9.428 1.00 0.00 C ATOM 0 H VAL B 122 1.511 -6.271 -12.885 1.00 0.00 H new ATOM 0 HA VAL B 122 2.668 -6.228 -10.232 1.00 0.00 H new ATOM 0 HB VAL B 122 3.154 -3.978 -11.451 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.320 -2.345 -11.400 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.987 -3.696 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL B 122 0.194 -3.636 -10.919 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.702 -2.680 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL B 122 1.660 -3.994 -8.810 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.401 -4.276 -9.042 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.368 -6.046 -11.456 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.756 -6.309 -11.121 1.00 0.00 C ATOM 1531 C ASN B 123 -2.238 -5.211 -10.178 1.00 0.00 C ATOM 1532 O ASN B 123 -2.172 -4.031 -10.526 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.915 -7.713 -10.511 1.00 0.00 C ATOM 1534 CG ASN B 123 -1.591 -8.816 -11.499 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -2.402 -9.147 -12.364 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -0.404 -9.391 -11.384 1.00 0.00 N ATOM 0 H ASN B 123 -0.192 -5.881 -12.447 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.372 -6.296 -12.020 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -1.262 -7.804 -9.643 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.938 -7.837 -10.155 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -0.134 -10.136 -12.026 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.241 -9.088 -10.654 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.729 -5.567 -9.003 1.00 0.00 N ATOM 1544 CA ILE B 124 -3.207 -4.547 -8.080 1.00 0.00 C ATOM 1545 C ILE B 124 -2.799 -4.769 -6.631 1.00 0.00 C ATOM 1546 O ILE B 124 -3.325 -4.091 -5.744 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.727 -4.384 -8.115 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.372 -5.459 -8.960 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.105 -3.007 -8.630 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -5.086 -6.833 -8.430 1.00 0.00 C ATOM 0 H ILE B 124 -2.807 -6.528 -8.670 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.720 -3.641 -8.442 1.00 0.00 H new ATOM 0 HB ILE B 124 -5.098 -4.488 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.450 -5.299 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.009 -5.382 -9.985 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.191 -2.910 -8.647 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.683 -2.245 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.713 -2.875 -9.638 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.568 -7.576 -9.066 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -4.009 -7.004 -8.424 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -5.473 -6.919 -7.415 1.00 0.00 H new ATOM 1562 N SER B 125 -1.904 -5.721 -6.378 1.00 0.00 N ATOM 1563 CA SER B 125 -1.493 -6.009 -4.996 1.00 0.00 C ATOM 1564 C SER B 125 -1.371 -4.705 -4.200 1.00 0.00 C ATOM 1565 O SER B 125 -2.123 -4.473 -3.244 1.00 0.00 O ATOM 1566 CB SER B 125 -0.157 -6.760 -4.961 1.00 0.00 C ATOM 1567 OG SER B 125 0.891 -5.973 -5.509 1.00 0.00 O ATOM 0 H SER B 125 -1.455 -6.297 -7.090 1.00 0.00 H new ATOM 0 HA SER B 125 -2.256 -6.642 -4.544 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.086 -7.028 -3.933 1.00 0.00 H new ATOM 0 HB3 SER B 125 -0.246 -7.691 -5.520 1.00 0.00 H new ATOM 0 HG SER B 125 1.731 -6.476 -5.472 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.438 -3.847 -4.621 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.243 -2.563 -3.966 1.00 0.00 C ATOM 1575 C GLY B 126 -1.181 -1.488 -4.492 1.00 0.00 C ATOM 1576 O GLY B 126 -1.620 -0.633 -3.731 1.00 0.00 O ATOM 0 H GLY B 126 0.187 -4.022 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.396 -2.680 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.789 -2.240 -4.107 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.498 -1.531 -5.794 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.398 -0.556 -6.404 1.00 0.00 C ATOM 1582 C LEU B 127 -3.707 -0.469 -5.637 1.00 0.00 C ATOM 1583 O LEU B 127 -4.057 0.582 -5.092 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.701 -0.967 -7.839 1.00 0.00 C ATOM 1585 CG LEU B 127 -3.696 -0.075 -8.563 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.240 1.365 -8.487 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -3.849 -0.528 -10.000 1.00 0.00 C ATOM 0 H LEU B 127 -1.141 -2.234 -6.441 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.907 0.417 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.768 -0.979 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.085 -1.987 -7.836 1.00 0.00 H new ATOM 0 HG LEU B 127 -4.671 -0.150 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.956 2.001 -9.007 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.174 1.671 -7.443 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -2.261 1.462 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.564 0.117 -10.511 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.884 -0.471 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.209 -1.557 -10.021 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.416 -1.597 -5.598 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.683 -1.688 -4.892 1.00 0.00 C ATOM 1601 C VAL B 128 -5.513 -1.136 -3.481 1.00 0.00 C ATOM 1602 O VAL B 128 -6.087 -0.117 -3.130 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.169 -3.153 -4.877 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.059 -3.446 -3.691 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.888 -3.453 -6.175 1.00 0.00 C ATOM 0 H VAL B 128 -4.127 -2.463 -6.052 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.441 -1.093 -5.402 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.298 -3.801 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.376 -4.488 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.508 -3.262 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.935 -2.799 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.233 -4.487 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.743 -2.785 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.206 -3.303 -7.012 1.00 0.00 H new ATOM 1615 N SER B 129 -4.680 -1.805 -2.708 1.00 0.00 N ATOM 1616 CA SER B 129 -4.353 -1.417 -1.348 1.00 0.00 C ATOM 1617 C SER B 129 -3.975 0.073 -1.223 1.00 0.00 C ATOM 1618 O SER B 129 -4.483 0.766 -0.335 1.00 0.00 O ATOM 1619 CB SER B 129 -3.179 -2.289 -0.893 1.00 0.00 C ATOM 1620 OG SER B 129 -2.048 -1.514 -0.515 1.00 0.00 O ATOM 0 H SER B 129 -4.201 -2.652 -3.014 1.00 0.00 H new ATOM 0 HA SER B 129 -5.234 -1.562 -0.722 1.00 0.00 H new ATOM 0 HB2 SER B 129 -3.492 -2.906 -0.051 1.00 0.00 H new ATOM 0 HB3 SER B 129 -2.899 -2.968 -1.699 1.00 0.00 H new ATOM 0 HG SER B 129 -2.203 -1.119 0.368 1.00 0.00 H new ATOM 1626 N THR B 130 -3.106 0.573 -2.108 1.00 0.00 N ATOM 1627 CA THR B 130 -2.697 1.968 -2.068 1.00 0.00 C ATOM 1628 C THR B 130 -3.885 2.835 -2.372 1.00 0.00 C ATOM 1629 O THR B 130 -4.257 3.706 -1.582 1.00 0.00 O ATOM 1630 CB THR B 130 -1.576 2.241 -3.080 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.311 1.950 -2.518 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.533 3.674 -3.569 1.00 0.00 C ATOM 0 H THR B 130 -2.677 0.028 -2.856 1.00 0.00 H new ATOM 0 HA THR B 130 -2.315 2.196 -1.073 1.00 0.00 H new ATOM 0 HB THR B 130 -1.798 1.592 -3.927 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.390 2.129 -3.179 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.716 3.791 -4.281 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.476 3.921 -4.056 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.376 4.343 -2.723 1.00 0.00 H new ATOM 1640 N THR B 131 -4.485 2.590 -3.530 1.00 0.00 N ATOM 1641 CA THR B 131 -5.633 3.357 -3.929 1.00 0.00 C ATOM 1642 C THR B 131 -6.708 3.278 -2.851 1.00 0.00 C ATOM 1643 O THR B 131 -7.358 4.277 -2.530 1.00 0.00 O ATOM 1644 CB THR B 131 -6.169 2.920 -5.300 1.00 0.00 C ATOM 1645 OG1 THR B 131 -6.663 4.040 -6.013 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.285 1.898 -5.241 1.00 0.00 C ATOM 0 H THR B 131 -4.192 1.873 -4.194 1.00 0.00 H new ATOM 0 HA THR B 131 -5.328 4.398 -4.039 1.00 0.00 H new ATOM 0 HB THR B 131 -5.316 2.457 -5.796 1.00 0.00 H new ATOM 0 HG1 THR B 131 -7.389 3.756 -6.607 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.602 1.647 -6.253 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.929 0.999 -4.739 1.00 0.00 H new ATOM 0 HG23 THR B 131 -8.129 2.312 -4.688 1.00 0.00 H new ATOM 1654 N MET B 132 -6.876 2.082 -2.283 1.00 0.00 N ATOM 1655 CA MET B 132 -7.849 1.855 -1.234 1.00 0.00 C ATOM 1656 C MET B 132 -7.597 2.742 -0.030 1.00 0.00 C ATOM 1657 O MET B 132 -8.490 3.458 0.380 1.00 0.00 O ATOM 1658 CB MET B 132 -7.886 0.371 -0.866 1.00 0.00 C ATOM 1659 CG MET B 132 -8.593 -0.413 -1.960 1.00 0.00 C ATOM 1660 SD MET B 132 -8.507 -2.181 -1.769 1.00 0.00 S ATOM 1661 CE MET B 132 -9.945 -2.607 -2.717 1.00 0.00 C ATOM 0 H MET B 132 -6.340 1.253 -2.541 1.00 0.00 H new ATOM 0 HA MET B 132 -8.834 2.132 -1.610 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.872 -0.006 -0.733 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.403 0.235 0.084 1.00 0.00 H new ATOM 0 HG2 MET B 132 -9.641 -0.113 -1.986 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.159 -0.142 -2.923 1.00 0.00 H new ATOM 0 HE1 MET B 132 -9.707 -3.431 -3.389 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.748 -2.908 -2.044 1.00 0.00 H new ATOM 0 HE3 MET B 132 -10.265 -1.744 -3.301 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.391 2.727 0.525 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.088 3.582 1.677 1.00 0.00 C ATOM 1673 C GLN B 133 -6.436 5.042 1.378 1.00 0.00 C ATOM 1674 O GLN B 133 -7.043 5.727 2.205 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.615 3.454 2.077 1.00 0.00 C ATOM 1676 CG GLN B 133 -3.902 4.783 2.319 1.00 0.00 C ATOM 1677 CD GLN B 133 -2.817 4.687 3.371 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.959 5.209 4.479 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -1.723 4.020 3.035 1.00 0.00 N ATOM 0 H GLN B 133 -5.616 2.145 0.207 1.00 0.00 H new ATOM 0 HA GLN B 133 -6.701 3.248 2.514 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.550 2.852 2.983 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.086 2.911 1.294 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.464 5.130 1.383 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.633 5.531 2.626 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -1.645 3.603 2.108 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -0.959 3.924 3.704 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.047 5.510 0.193 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.317 6.887 -0.213 1.00 0.00 C ATOM 1690 C ASN B 134 -7.812 7.130 -0.365 1.00 0.00 C ATOM 1691 O ASN B 134 -8.376 8.005 0.299 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.599 7.210 -1.530 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.094 7.113 -1.423 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.528 7.164 -0.333 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.434 6.969 -2.563 1.00 0.00 N ATOM 0 H ASN B 134 -5.545 4.957 -0.501 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.938 7.545 0.569 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.947 6.526 -2.304 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.871 8.217 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.417 6.896 -2.558 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.943 6.931 -3.446 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.459 6.337 -1.214 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.895 6.461 -1.417 1.00 0.00 C ATOM 1704 C GLU B 135 -10.638 6.124 -0.126 1.00 0.00 C ATOM 1705 O GLU B 135 -11.754 6.595 0.099 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.360 5.561 -2.566 1.00 0.00 C ATOM 1707 CG GLU B 135 -10.427 6.277 -3.911 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.036 7.664 -3.815 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -12.215 7.775 -3.418 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -10.334 8.652 -4.123 1.00 0.00 O ATOM 0 H GLU B 135 -8.013 5.606 -1.769 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.122 7.492 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.682 4.712 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.345 5.160 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -9.422 6.355 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.012 5.677 -4.607 1.00 0.00 H new ATOM 1717 N ALA B 136 -9.995 5.336 0.740 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.560 4.961 2.026 1.00 0.00 C ATOM 1719 C ALA B 136 -10.556 6.158 2.960 1.00 0.00 C ATOM 1720 O ALA B 136 -11.573 6.494 3.565 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.750 3.827 2.633 1.00 0.00 C ATOM 0 H ALA B 136 -9.070 4.944 0.564 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.587 4.627 1.882 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.177 3.550 3.597 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.772 2.966 1.965 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.719 4.151 2.773 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.399 6.816 3.050 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.258 7.998 3.883 1.00 0.00 C ATOM 1729 C ARG B 137 -10.169 9.089 3.381 1.00 0.00 C ATOM 1730 O ARG B 137 -10.934 9.690 4.134 1.00 0.00 O ATOM 1731 CB ARG B 137 -7.842 8.531 3.814 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.043 8.336 5.086 1.00 0.00 C ATOM 1733 CD ARG B 137 -5.568 8.569 4.832 1.00 0.00 C ATOM 1734 NE ARG B 137 -4.751 7.411 5.209 1.00 0.00 N ATOM 1735 CZ ARG B 137 -4.439 7.080 6.456 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -4.898 7.780 7.478 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -3.668 6.035 6.671 1.00 0.00 N ATOM 0 H ARG B 137 -8.550 6.546 2.554 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.509 7.716 4.906 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.321 8.041 2.992 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -7.877 9.595 3.580 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.398 9.024 5.854 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -7.197 7.326 5.467 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -5.414 8.792 3.776 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.238 9.443 5.394 1.00 0.00 H new ATOM 0 HE ARG B 137 -4.397 6.817 4.459 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -5.501 8.587 7.314 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -4.650 7.514 8.431 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.317 5.489 5.884 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -3.421 5.771 7.625 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.039 9.355 2.089 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.811 10.395 1.456 1.00 0.00 C ATOM 1753 C ARG B 138 -12.317 10.110 1.521 1.00 0.00 C ATOM 1754 O ARG B 138 -13.088 11.005 1.871 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.366 10.608 0.006 1.00 0.00 C ATOM 1756 CG ARG B 138 -9.826 12.007 -0.258 1.00 0.00 C ATOM 1757 CD ARG B 138 -10.911 13.066 -0.121 1.00 0.00 C ATOM 1758 NE ARG B 138 -11.447 13.139 1.245 1.00 0.00 N ATOM 1759 CZ ARG B 138 -10.867 13.784 2.250 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -9.739 14.442 2.064 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -11.421 13.762 3.444 1.00 0.00 N ATOM 0 H ARG B 138 -9.403 8.860 1.464 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.625 11.314 2.012 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.597 9.876 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -11.210 10.421 -0.657 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.017 12.222 0.440 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -9.401 12.049 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -10.505 14.038 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -11.721 12.845 -0.816 1.00 0.00 H new ATOM 0 HE ARG B 138 -12.327 12.660 1.435 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -9.304 14.458 1.141 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -9.301 14.934 2.843 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -12.291 13.251 3.593 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -10.980 14.256 4.220 1.00 0.00 H new