USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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 3 MET CE :methyl -151:sc= 0 (180deg=-0.0734) USER MOD Set 1.2: B 3 MET CE :methyl -172:sc= 0 (180deg=-0.0905) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0779 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.28) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= 1.29 (180deg=1.12) USER MOD Single : A 15 SER OG : rot 79:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.034) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= 1.28 (180deg=0.611) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -102:sc= 0.0807 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -165:sc= -0.0474 (180deg=-0.289) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 9 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.12) USER MOD Single : B 15 SER OG : rot 79:sc= 1.23 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.034) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : B 28 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0.687) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.366 -5.236 -4.468 1.00 0.00 N ATOM 2 CA GLY A 1 20.532 -4.086 -4.039 1.00 0.00 C ATOM 3 C GLY A 1 21.149 -2.763 -4.435 1.00 0.00 C ATOM 4 O GLY A 1 22.315 -2.707 -4.825 1.00 0.00 O ATOM 0 H1 GLY A 1 20.964 -5.653 -5.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.335 -4.910 -4.660 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.385 -5.952 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.540 -4.171 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.401 -4.116 -2.957 1.00 0.00 H new ATOM 10 N SER A 2 20.369 -1.698 -4.337 1.00 0.00 N ATOM 11 CA SER A 2 20.827 -0.372 -4.715 1.00 0.00 C ATOM 12 C SER A 2 20.103 0.682 -3.889 1.00 0.00 C ATOM 13 O SER A 2 18.880 0.645 -3.762 1.00 0.00 O ATOM 14 CB SER A 2 20.568 -0.142 -6.207 1.00 0.00 C ATOM 15 OG SER A 2 20.983 1.153 -6.613 1.00 0.00 O ATOM 0 H SER A 2 19.408 -1.728 -3.996 1.00 0.00 H new ATOM 0 HA SER A 2 21.897 -0.294 -4.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.099 -0.895 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.506 -0.267 -6.417 1.00 0.00 H new ATOM 0 HG SER A 2 20.806 1.268 -7.570 1.00 0.00 H new ATOM 21 N MET A 3 20.867 1.617 -3.327 1.00 0.00 N ATOM 22 CA MET A 3 20.297 2.698 -2.528 1.00 0.00 C ATOM 23 C MET A 3 19.456 3.618 -3.396 1.00 0.00 C ATOM 24 O MET A 3 18.498 4.224 -2.923 1.00 0.00 O ATOM 25 CB MET A 3 21.391 3.508 -1.831 1.00 0.00 C ATOM 26 CG MET A 3 22.118 2.746 -0.742 1.00 0.00 C ATOM 27 SD MET A 3 21.003 2.140 0.539 1.00 0.00 S ATOM 28 CE MET A 3 22.158 1.276 1.596 1.00 0.00 C ATOM 0 H MET A 3 21.883 1.647 -3.411 1.00 0.00 H new ATOM 0 HA MET A 3 19.663 2.244 -1.766 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.115 3.838 -2.576 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.946 4.405 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.649 1.904 -1.185 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.869 3.394 -0.289 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.647 0.456 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.975 0.879 0.994 1.00 0.00 H new ATOM 0 HE3 MET A 3 22.557 1.966 2.339 1.00 0.00 H new ATOM 38 N LYS A 4 19.824 3.717 -4.666 1.00 0.00 N ATOM 39 CA LYS A 4 19.064 4.500 -5.626 1.00 0.00 C ATOM 40 C LYS A 4 17.664 3.918 -5.783 1.00 0.00 C ATOM 41 O LYS A 4 16.666 4.628 -5.671 1.00 0.00 O ATOM 42 CB LYS A 4 19.784 4.514 -6.975 1.00 0.00 C ATOM 43 CG LYS A 4 19.045 5.285 -8.057 1.00 0.00 C ATOM 44 CD LYS A 4 19.815 5.301 -9.370 1.00 0.00 C ATOM 45 CE LYS A 4 21.134 6.050 -9.245 1.00 0.00 C ATOM 46 NZ LYS A 4 20.934 7.464 -8.830 1.00 0.00 N ATOM 0 H LYS A 4 20.649 3.261 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 4 18.979 5.524 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.774 4.950 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.930 3.487 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.064 4.837 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.877 6.309 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.008 4.277 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.205 5.767 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.770 5.545 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.658 6.023 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.813 7.999 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.169 7.886 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.680 7.497 -7.822 1.00 0.00 H new ATOM 60 N GLN A 5 17.608 2.615 -6.027 1.00 0.00 N ATOM 61 CA GLN A 5 16.342 1.913 -6.158 1.00 0.00 C ATOM 62 C GLN A 5 15.583 1.953 -4.836 1.00 0.00 C ATOM 63 O GLN A 5 14.425 2.363 -4.788 1.00 0.00 O ATOM 64 CB GLN A 5 16.589 0.466 -6.588 1.00 0.00 C ATOM 65 CG GLN A 5 15.320 -0.343 -6.782 1.00 0.00 C ATOM 66 CD GLN A 5 15.595 -1.756 -7.255 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.572 -2.011 -7.958 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.735 -2.682 -6.875 1.00 0.00 N ATOM 0 H GLN A 5 18.430 2.022 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 5 15.739 2.406 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.154 0.466 -7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.210 -0.025 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.770 -0.379 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.680 0.160 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.937 -2.429 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.868 -3.651 -7.165 1.00 0.00 H new ATOM 77 N LEU A 6 16.261 1.527 -3.772 1.00 0.00 N ATOM 78 CA LEU A 6 15.707 1.553 -2.409 1.00 0.00 C ATOM 79 C LEU A 6 15.025 2.888 -2.118 1.00 0.00 C ATOM 80 O LEU A 6 13.861 2.901 -1.723 1.00 0.00 O ATOM 81 CB LEU A 6 16.812 1.185 -1.369 1.00 0.00 C ATOM 82 CG LEU A 6 16.676 1.651 0.104 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.185 3.067 0.289 1.00 0.00 C ATOM 84 CD2 LEU A 6 15.256 1.523 0.641 1.00 0.00 C ATOM 0 H LEU A 6 17.209 1.154 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 6 14.928 0.795 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.899 0.098 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.756 1.576 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 6 17.301 0.976 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.074 3.360 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.237 3.115 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.610 3.746 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.226 1.865 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.583 2.132 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.942 0.480 0.594 1.00 0.00 H new ATOM 96 N GLU A 7 15.722 3.994 -2.351 1.00 0.00 N ATOM 97 CA GLU A 7 15.177 5.315 -2.073 1.00 0.00 C ATOM 98 C GLU A 7 13.817 5.508 -2.741 1.00 0.00 C ATOM 99 O GLU A 7 12.837 5.867 -2.088 1.00 0.00 O ATOM 100 CB GLU A 7 16.150 6.386 -2.561 1.00 0.00 C ATOM 101 CG GLU A 7 15.724 7.800 -2.213 1.00 0.00 C ATOM 102 CD GLU A 7 16.592 8.839 -2.880 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.622 9.228 -2.291 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.260 9.262 -4.009 1.00 0.00 O ATOM 0 H GLU A 7 16.668 4.001 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 7 15.039 5.406 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.133 6.195 -2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.255 6.303 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.687 7.949 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.766 7.934 -1.132 1.00 0.00 H new ATOM 111 N ASP A 8 13.760 5.244 -4.038 1.00 0.00 N ATOM 112 CA ASP A 8 12.543 5.463 -4.807 1.00 0.00 C ATOM 113 C ASP A 8 11.438 4.484 -4.416 1.00 0.00 C ATOM 114 O ASP A 8 10.306 4.893 -4.160 1.00 0.00 O ATOM 115 CB ASP A 8 12.825 5.359 -6.308 1.00 0.00 C ATOM 116 CG ASP A 8 13.510 6.594 -6.861 1.00 0.00 C ATOM 117 OD1 ASP A 8 12.801 7.530 -7.289 1.00 0.00 O ATOM 118 OD2 ASP A 8 14.758 6.643 -6.876 1.00 0.00 O ATOM 0 H ASP A 8 14.542 4.878 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 8 12.196 6.470 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.450 4.486 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.887 5.200 -6.840 1.00 0.00 H new ATOM 123 N LYS A 9 11.768 3.200 -4.367 1.00 0.00 N ATOM 124 CA LYS A 9 10.753 2.157 -4.091 1.00 0.00 C ATOM 125 C LYS A 9 10.190 2.265 -2.685 1.00 0.00 C ATOM 126 O LYS A 9 8.979 2.167 -2.494 1.00 0.00 O ATOM 127 CB LYS A 9 11.287 0.729 -4.259 1.00 0.00 C ATOM 128 CG LYS A 9 12.193 0.515 -5.468 1.00 0.00 C ATOM 129 CD LYS A 9 11.542 0.954 -6.778 1.00 0.00 C ATOM 130 CE LYS A 9 10.183 0.302 -6.987 1.00 0.00 C ATOM 131 NZ LYS A 9 9.467 0.880 -8.151 1.00 0.00 N ATOM 0 H LYS A 9 12.714 2.845 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 9 9.974 2.340 -4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.838 0.455 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.440 0.047 -4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.120 1.069 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.459 -0.540 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.428 2.038 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.197 0.700 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.313 -0.770 -7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.578 0.428 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.721 0.225 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.039 1.788 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.138 1.033 -8.931 1.00 0.00 H new ATOM 145 N VAL A 10 11.069 2.461 -1.703 1.00 0.00 N ATOM 146 CA VAL A 10 10.650 2.524 -0.307 1.00 0.00 C ATOM 147 C VAL A 10 9.676 3.690 -0.154 1.00 0.00 C ATOM 148 O VAL A 10 8.758 3.674 0.670 1.00 0.00 O ATOM 149 CB VAL A 10 11.857 2.686 0.655 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.394 4.108 0.663 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.497 2.235 2.062 1.00 0.00 C ATOM 0 H VAL A 10 12.072 2.578 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 10 10.164 1.586 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 10 12.653 2.042 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.238 4.174 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.721 4.379 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.609 4.792 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.360 2.359 2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.669 2.837 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.203 1.185 2.044 1.00 0.00 H new ATOM 161 N GLU A 11 9.878 4.686 -1.011 1.00 0.00 N ATOM 162 CA GLU A 11 8.997 5.846 -1.079 1.00 0.00 C ATOM 163 C GLU A 11 7.683 5.524 -1.794 1.00 0.00 C ATOM 164 O GLU A 11 6.610 5.786 -1.249 1.00 0.00 O ATOM 165 CB GLU A 11 9.691 7.019 -1.769 1.00 0.00 C ATOM 166 CG GLU A 11 10.677 7.752 -0.877 1.00 0.00 C ATOM 167 CD GLU A 11 10.005 8.401 0.313 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.117 7.867 1.436 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.362 9.453 0.133 1.00 0.00 O ATOM 0 H GLU A 11 10.653 4.712 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 11 8.762 6.126 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.215 6.652 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.936 7.723 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.435 7.052 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.193 8.515 -1.460 1.00 0.00 H new ATOM 176 N GLU A 12 7.763 4.962 -3.005 1.00 0.00 N ATOM 177 CA GLU A 12 6.563 4.661 -3.796 1.00 0.00 C ATOM 178 C GLU A 12 5.604 3.774 -3.017 1.00 0.00 C ATOM 179 O GLU A 12 4.458 4.145 -2.762 1.00 0.00 O ATOM 180 CB GLU A 12 6.936 3.953 -5.101 1.00 0.00 C ATOM 181 CG GLU A 12 7.785 4.782 -6.043 1.00 0.00 C ATOM 182 CD GLU A 12 8.067 4.055 -7.339 1.00 0.00 C ATOM 183 OE1 GLU A 12 9.139 3.426 -7.455 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.211 4.099 -8.249 1.00 0.00 O ATOM 0 H GLU A 12 8.641 4.707 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 12 6.077 5.611 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.472 3.035 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.021 3.663 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.276 5.722 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.727 5.034 -5.556 1.00 0.00 H new ATOM 191 N LEU A 13 6.098 2.599 -2.658 1.00 0.00 N ATOM 192 CA LEU A 13 5.341 1.620 -1.888 1.00 0.00 C ATOM 193 C LEU A 13 4.653 2.248 -0.682 1.00 0.00 C ATOM 194 O LEU A 13 3.469 2.023 -0.467 1.00 0.00 O ATOM 195 CB LEU A 13 6.261 0.491 -1.421 1.00 0.00 C ATOM 196 CG LEU A 13 6.954 -0.291 -2.537 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.893 -1.329 -1.949 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.929 -0.951 -3.446 1.00 0.00 C ATOM 0 H LEU A 13 7.042 2.294 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 13 4.568 1.221 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.024 0.913 -0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.677 -0.206 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 13 7.540 0.407 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.379 -1.878 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.649 -0.833 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.326 -2.023 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.443 -1.502 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.315 -1.638 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.294 -0.187 -3.893 1.00 0.00 H new ATOM 210 N LEU A 14 5.390 3.041 0.095 1.00 0.00 N ATOM 211 CA LEU A 14 4.833 3.660 1.294 1.00 0.00 C ATOM 212 C LEU A 14 3.795 4.724 0.936 1.00 0.00 C ATOM 213 O LEU A 14 2.725 4.773 1.546 1.00 0.00 O ATOM 214 CB LEU A 14 5.943 4.255 2.173 1.00 0.00 C ATOM 215 CG LEU A 14 5.468 4.977 3.439 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.715 4.027 4.359 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.649 5.594 4.170 1.00 0.00 C ATOM 0 H LEU A 14 6.368 3.268 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 14 4.330 2.880 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.620 3.452 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.522 4.956 1.572 1.00 0.00 H new ATOM 0 HG LEU A 14 4.785 5.772 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.389 4.565 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.845 3.628 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.371 3.206 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.296 6.103 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.353 4.810 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.146 6.311 3.517 1.00 0.00 H new ATOM 229 N SER A 15 4.099 5.563 -0.053 1.00 0.00 N ATOM 230 CA SER A 15 3.160 6.586 -0.497 1.00 0.00 C ATOM 231 C SER A 15 1.844 5.956 -0.961 1.00 0.00 C ATOM 232 O SER A 15 0.760 6.399 -0.576 1.00 0.00 O ATOM 233 CB SER A 15 3.782 7.413 -1.624 1.00 0.00 C ATOM 234 OG SER A 15 5.033 7.952 -1.223 1.00 0.00 O ATOM 0 H SER A 15 4.985 5.553 -0.559 1.00 0.00 H new ATOM 0 HA SER A 15 2.941 7.242 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.916 6.789 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.106 8.221 -1.904 1.00 0.00 H new ATOM 0 HG SER A 15 5.723 7.259 -1.286 1.00 0.00 H new ATOM 240 N LYS A 16 1.944 4.906 -1.771 1.00 0.00 N ATOM 241 CA LYS A 16 0.761 4.215 -2.263 1.00 0.00 C ATOM 242 C LYS A 16 0.092 3.434 -1.133 1.00 0.00 C ATOM 243 O LYS A 16 -1.132 3.394 -1.041 1.00 0.00 O ATOM 244 CB LYS A 16 1.129 3.279 -3.423 1.00 0.00 C ATOM 245 CG LYS A 16 -0.069 2.592 -4.074 1.00 0.00 C ATOM 246 CD LYS A 16 0.364 1.675 -5.215 1.00 0.00 C ATOM 247 CE LYS A 16 -0.810 0.901 -5.810 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.377 -0.036 -6.881 1.00 0.00 N ATOM 0 H LYS A 16 2.829 4.518 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 16 0.054 4.958 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.663 3.851 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.816 2.517 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.609 2.013 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.760 3.345 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.839 2.269 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.113 0.972 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.312 0.342 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.538 1.603 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.205 -0.540 -7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.079 0.499 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.298 -0.723 -6.489 1.00 0.00 H new ATOM 262 N ASN A 17 0.907 2.821 -0.273 1.00 0.00 N ATOM 263 CA ASN A 17 0.407 2.077 0.884 1.00 0.00 C ATOM 264 C ASN A 17 -0.499 2.957 1.737 1.00 0.00 C ATOM 265 O ASN A 17 -1.615 2.568 2.076 1.00 0.00 O ATOM 266 CB ASN A 17 1.581 1.572 1.732 1.00 0.00 C ATOM 267 CG ASN A 17 1.152 0.648 2.863 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.825 1.106 3.956 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.178 -0.660 2.630 1.00 0.00 N ATOM 0 H ASN A 17 1.923 2.826 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.170 1.226 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.285 1.045 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.111 2.427 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.922 -1.315 3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.454 -1.009 1.712 1.00 0.00 H new ATOM 276 N TYR A 18 -0.006 4.147 2.070 1.00 0.00 N ATOM 277 CA TYR A 18 -0.757 5.114 2.838 1.00 0.00 C ATOM 278 C TYR A 18 -2.091 5.437 2.170 1.00 0.00 C ATOM 279 O TYR A 18 -3.131 5.478 2.824 1.00 0.00 O ATOM 280 CB TYR A 18 0.081 6.379 2.975 1.00 0.00 C ATOM 281 CG TYR A 18 -0.411 7.300 4.047 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.257 6.962 5.379 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.024 8.501 3.736 1.00 0.00 C ATOM 284 CE1 TYR A 18 -0.700 7.794 6.376 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.471 9.343 4.727 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.309 8.988 6.050 1.00 0.00 C ATOM 287 OH TYR A 18 -1.755 9.829 7.044 1.00 0.00 O ATOM 0 H TYR A 18 0.929 4.461 1.810 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.976 4.697 3.821 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.113 6.102 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.084 6.910 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.220 6.028 5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.153 8.781 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.572 7.515 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.947 10.278 4.471 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.158 10.627 6.641 1.00 0.00 H new ATOM 297 N HIS A 19 -2.051 5.651 0.859 1.00 0.00 N ATOM 298 CA HIS A 19 -3.253 5.983 0.103 1.00 0.00 C ATOM 299 C HIS A 19 -4.243 4.826 0.118 1.00 0.00 C ATOM 300 O HIS A 19 -5.436 5.023 0.343 1.00 0.00 O ATOM 301 CB HIS A 19 -2.903 6.347 -1.343 1.00 0.00 C ATOM 302 CG HIS A 19 -2.117 7.616 -1.475 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.366 7.920 -2.588 1.00 0.00 N ATOM 304 CD2 HIS A 19 -1.972 8.662 -0.627 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.792 9.098 -2.418 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.144 9.569 -1.236 1.00 0.00 N ATOM 0 H HIS A 19 -1.200 5.601 0.299 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.716 6.846 0.581 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.333 5.530 -1.785 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.825 6.440 -1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.425 8.763 0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.144 9.592 -3.127 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.848 10.462 -0.841 1.00 0.00 H new ATOM 315 N LEU A 20 -3.737 3.619 -0.107 1.00 0.00 N ATOM 316 CA LEU A 20 -4.575 2.427 -0.129 1.00 0.00 C ATOM 317 C LEU A 20 -5.211 2.182 1.231 1.00 0.00 C ATOM 318 O LEU A 20 -6.408 1.939 1.319 1.00 0.00 O ATOM 319 CB LEU A 20 -3.768 1.199 -0.550 1.00 0.00 C ATOM 320 CG LEU A 20 -3.149 1.265 -1.946 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.294 0.037 -2.196 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.231 1.388 -3.011 1.00 0.00 C ATOM 0 H LEU A 20 -2.747 3.440 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.365 2.596 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.969 1.045 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.417 0.325 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.516 2.151 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.858 0.094 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.497 -0.009 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.912 -0.858 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.768 1.433 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.892 0.523 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.809 2.296 -2.839 1.00 0.00 H new ATOM 334 N GLU A 21 -4.408 2.264 2.287 1.00 0.00 N ATOM 335 CA GLU A 21 -4.888 2.020 3.647 1.00 0.00 C ATOM 336 C GLU A 21 -6.042 2.967 3.973 1.00 0.00 C ATOM 337 O GLU A 21 -7.066 2.557 4.523 1.00 0.00 O ATOM 338 CB GLU A 21 -3.731 2.217 4.643 1.00 0.00 C ATOM 339 CG GLU A 21 -3.757 1.314 5.878 1.00 0.00 C ATOM 340 CD GLU A 21 -4.962 1.539 6.772 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.725 0.575 7.004 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.138 2.673 7.266 1.00 0.00 O ATOM 0 H GLU A 21 -3.417 2.499 2.229 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.252 0.995 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.791 2.054 4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.734 3.255 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.744 0.273 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.849 1.480 6.458 1.00 0.00 H new ATOM 349 N ASN A 22 -5.880 4.229 3.595 1.00 0.00 N ATOM 350 CA ASN A 22 -6.909 5.237 3.824 1.00 0.00 C ATOM 351 C ASN A 22 -8.148 4.962 2.980 1.00 0.00 C ATOM 352 O ASN A 22 -9.273 5.249 3.401 1.00 0.00 O ATOM 353 CB ASN A 22 -6.368 6.638 3.530 1.00 0.00 C ATOM 354 CG ASN A 22 -5.438 7.149 4.617 1.00 0.00 C ATOM 355 OD1 ASN A 22 -4.779 6.376 5.313 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.378 8.461 4.771 1.00 0.00 N ATOM 0 H ASN A 22 -5.044 4.580 3.127 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.195 5.186 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.836 6.625 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.203 7.329 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.771 8.863 5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.939 9.071 4.176 1.00 0.00 H new ATOM 363 N GLU A 23 -7.943 4.411 1.791 1.00 0.00 N ATOM 364 CA GLU A 23 -9.054 4.011 0.938 1.00 0.00 C ATOM 365 C GLU A 23 -9.775 2.809 1.528 1.00 0.00 C ATOM 366 O GLU A 23 -11.005 2.788 1.585 1.00 0.00 O ATOM 367 CB GLU A 23 -8.574 3.696 -0.478 1.00 0.00 C ATOM 368 CG GLU A 23 -8.510 4.915 -1.376 1.00 0.00 C ATOM 369 CD GLU A 23 -9.877 5.531 -1.594 1.00 0.00 C ATOM 370 OE1 GLU A 23 -10.498 5.264 -2.644 1.00 0.00 O ATOM 371 OE2 GLU A 23 -10.346 6.275 -0.708 1.00 0.00 O ATOM 0 H GLU A 23 -7.020 4.231 1.396 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.752 4.847 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.585 3.240 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.242 2.959 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.844 5.656 -0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.081 4.635 -2.338 1.00 0.00 H new ATOM 378 N VAL A 24 -9.001 1.823 1.974 1.00 0.00 N ATOM 379 CA VAL A 24 -9.556 0.635 2.606 1.00 0.00 C ATOM 380 C VAL A 24 -10.482 1.034 3.753 1.00 0.00 C ATOM 381 O VAL A 24 -11.661 0.685 3.765 1.00 0.00 O ATOM 382 CB VAL A 24 -8.454 -0.297 3.161 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.064 -1.484 3.892 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.545 -0.786 2.048 1.00 0.00 C ATOM 0 H VAL A 24 -7.983 1.826 1.908 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.110 0.095 1.838 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.859 0.281 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.269 -2.125 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.671 -1.126 4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.690 -2.053 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.779 -1.440 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.133 -1.338 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.070 0.068 1.565 1.00 0.00 H new ATOM 394 N ALA A 25 -9.932 1.795 4.697 1.00 0.00 N ATOM 395 CA ALA A 25 -10.667 2.222 5.885 1.00 0.00 C ATOM 396 C ALA A 25 -11.940 2.989 5.531 1.00 0.00 C ATOM 397 O ALA A 25 -12.986 2.785 6.150 1.00 0.00 O ATOM 398 CB ALA A 25 -9.773 3.069 6.773 1.00 0.00 C ATOM 0 H ALA A 25 -8.970 2.131 4.660 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.970 1.324 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.330 3.383 7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.906 2.484 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.441 3.949 6.222 1.00 0.00 H new ATOM 404 N ARG A 26 -11.853 3.868 4.537 1.00 0.00 N ATOM 405 CA ARG A 26 -13.005 4.653 4.113 1.00 0.00 C ATOM 406 C ARG A 26 -14.101 3.742 3.582 1.00 0.00 C ATOM 407 O ARG A 26 -15.245 3.803 4.029 1.00 0.00 O ATOM 408 CB ARG A 26 -12.605 5.669 3.035 1.00 0.00 C ATOM 409 CG ARG A 26 -13.771 6.517 2.548 1.00 0.00 C ATOM 410 CD ARG A 26 -13.334 7.581 1.552 1.00 0.00 C ATOM 411 NE ARG A 26 -12.828 7.013 0.299 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.481 7.063 -0.863 1.00 0.00 C ATOM 413 NH1 ARG A 26 -14.706 7.574 -0.924 1.00 0.00 N ATOM 414 NH2 ARG A 26 -12.907 6.600 -1.967 1.00 0.00 N ATOM 0 H ARG A 26 -10.998 4.053 4.012 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.382 5.195 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.829 6.324 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.171 5.138 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.517 5.872 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.250 6.996 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.177 8.236 1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.559 8.199 2.005 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.919 6.550 0.317 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.152 7.931 -0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.200 7.609 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.967 6.206 -1.926 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.406 6.638 -2.856 1.00 0.00 H new ATOM 428 N LEU A 27 -13.735 2.880 2.647 1.00 0.00 N ATOM 429 CA LEU A 27 -14.689 1.975 2.022 1.00 0.00 C ATOM 430 C LEU A 27 -15.276 0.993 3.036 1.00 0.00 C ATOM 431 O LEU A 27 -16.392 0.510 2.852 1.00 0.00 O ATOM 432 CB LEU A 27 -14.021 1.228 0.869 1.00 0.00 C ATOM 433 CG LEU A 27 -13.429 2.121 -0.216 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.656 1.292 -1.223 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.521 2.919 -0.911 1.00 0.00 C ATOM 0 H LEU A 27 -12.780 2.787 2.302 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.514 2.569 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.229 0.598 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.754 0.563 0.412 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.741 2.822 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.241 1.946 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.846 0.766 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.325 0.567 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.077 3.549 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.236 2.235 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.034 3.545 -0.181 1.00 0.00 H new ATOM 447 N LYS A 28 -14.541 0.716 4.113 1.00 0.00 N ATOM 448 CA LYS A 28 -15.039 -0.153 5.171 1.00 0.00 C ATOM 449 C LYS A 28 -16.272 0.474 5.807 1.00 0.00 C ATOM 450 O LYS A 28 -17.302 -0.176 5.968 1.00 0.00 O ATOM 451 CB LYS A 28 -13.976 -0.376 6.254 1.00 0.00 C ATOM 452 CG LYS A 28 -12.784 -1.216 5.821 1.00 0.00 C ATOM 453 CD LYS A 28 -13.156 -2.678 5.641 1.00 0.00 C ATOM 454 CE LYS A 28 -11.926 -3.529 5.360 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.263 -4.969 5.212 1.00 0.00 N ATOM 0 H LYS A 28 -13.602 1.081 4.273 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.290 -1.116 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.614 0.595 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.448 -0.856 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.385 -0.825 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.992 -1.132 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.656 -3.042 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.865 -2.777 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.442 -3.175 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.208 -3.407 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.522 -5.444 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.328 -5.409 6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.176 -5.063 4.722 1.00 0.00 H new ATOM 469 N LYS A 29 -16.151 1.751 6.162 1.00 0.00 N ATOM 470 CA LYS A 29 -17.255 2.500 6.751 1.00 0.00 C ATOM 471 C LYS A 29 -18.451 2.570 5.797 1.00 0.00 C ATOM 472 O LYS A 29 -19.598 2.634 6.234 1.00 0.00 O ATOM 473 CB LYS A 29 -16.787 3.917 7.101 1.00 0.00 C ATOM 474 CG LYS A 29 -15.526 3.959 7.957 1.00 0.00 C ATOM 475 CD LYS A 29 -14.965 5.367 8.055 1.00 0.00 C ATOM 476 CE LYS A 29 -13.681 5.393 8.866 1.00 0.00 C ATOM 477 NZ LYS A 29 -13.103 6.759 8.947 1.00 0.00 N ATOM 0 H LYS A 29 -15.293 2.291 6.050 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.574 1.983 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.606 4.467 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.589 4.434 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.751 3.586 8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.774 3.296 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.774 5.755 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.703 6.024 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.880 5.023 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.954 4.717 8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.228 6.733 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.889 7.103 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.786 7.399 9.400 1.00 0.00 H new ATOM 491 N LEU A 30 -18.179 2.551 4.496 1.00 0.00 N ATOM 492 CA LEU A 30 -19.237 2.631 3.491 1.00 0.00 C ATOM 493 C LEU A 30 -19.953 1.291 3.318 1.00 0.00 C ATOM 494 O LEU A 30 -21.183 1.244 3.290 1.00 0.00 O ATOM 495 CB LEU A 30 -18.680 3.110 2.145 1.00 0.00 C ATOM 496 CG LEU A 30 -18.634 4.632 1.939 1.00 0.00 C ATOM 497 CD1 LEU A 30 -20.031 5.226 2.021 1.00 0.00 C ATOM 498 CD2 LEU A 30 -17.714 5.300 2.949 1.00 0.00 C ATOM 0 H LEU A 30 -17.237 2.481 4.112 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.965 3.359 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.670 2.717 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.283 2.673 1.349 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.232 4.820 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -19.977 6.305 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.660 4.784 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.459 5.016 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.704 6.376 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -18.074 5.098 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.704 4.905 2.838 1.00 0.00 H new ATOM 510 N VAL A 31 -19.187 0.211 3.179 1.00 0.00 N ATOM 511 CA VAL A 31 -19.764 -1.131 3.097 1.00 0.00 C ATOM 512 C VAL A 31 -20.450 -1.520 4.411 1.00 0.00 C ATOM 513 O VAL A 31 -21.446 -2.246 4.414 1.00 0.00 O ATOM 514 CB VAL A 31 -18.683 -2.185 2.762 1.00 0.00 C ATOM 515 CG1 VAL A 31 -19.286 -3.577 2.635 1.00 0.00 C ATOM 516 CG2 VAL A 31 -17.944 -1.810 1.488 1.00 0.00 C ATOM 0 H VAL A 31 -18.169 0.237 3.121 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.505 -1.110 2.298 1.00 0.00 H new ATOM 0 HB VAL A 31 -17.971 -2.201 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.500 -4.294 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.760 -3.855 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.030 -3.580 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.188 -2.564 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.651 -1.755 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.462 -0.841 1.619 1.00 0.00 H new ATOM 526 N GLY A 32 -19.931 -1.019 5.523 1.00 0.00 N ATOM 527 CA GLY A 32 -20.524 -1.310 6.806 1.00 0.00 C ATOM 528 C GLY A 32 -19.700 -2.300 7.594 1.00 0.00 C ATOM 529 O GLY A 32 -18.471 -2.305 7.494 1.00 0.00 O ATOM 0 H GLY A 32 -19.109 -0.416 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.626 -0.387 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.528 -1.708 6.660 1.00 0.00 H new ATOM 533 N GLU A 33 -20.382 -3.152 8.353 1.00 0.00 N ATOM 534 CA GLU A 33 -19.735 -4.140 9.214 1.00 0.00 C ATOM 535 C GLU A 33 -18.948 -3.439 10.319 1.00 0.00 C ATOM 536 O GLU A 33 -17.706 -3.356 10.225 1.00 0.00 O ATOM 537 CB GLU A 33 -18.816 -5.073 8.402 1.00 0.00 C ATOM 538 CG GLU A 33 -19.539 -5.850 7.311 1.00 0.00 C ATOM 539 CD GLU A 33 -20.734 -6.619 7.832 1.00 0.00 C ATOM 540 OE1 GLU A 33 -21.878 -6.157 7.629 1.00 0.00 O ATOM 541 OE2 GLU A 33 -20.540 -7.687 8.446 1.00 0.00 O ATOM 542 OXT GLU A 33 -19.586 -2.954 11.276 1.00 0.00 O ATOM 0 H GLU A 33 -21.401 -3.178 8.389 1.00 0.00 H new ATOM 0 HA GLU A 33 -20.512 -4.755 9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -18.022 -4.480 7.948 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -18.338 -5.778 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.868 -5.158 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.842 -6.545 6.843 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 21.360 5.026 4.828 1.00 0.00 N ATOM 551 CA GLY B 1 20.535 3.869 4.409 1.00 0.00 C ATOM 552 C GLY B 1 21.172 2.551 4.792 1.00 0.00 C ATOM 553 O GLY B 1 22.347 2.506 5.159 1.00 0.00 O ATOM 0 H1 GLY B 1 20.956 5.447 5.689 1.00 0.00 H new ATOM 0 H2 GLY B 1 22.331 4.708 5.021 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.373 5.736 4.069 1.00 0.00 H new ATOM 0 HA2 GLY B 1 19.549 3.942 4.867 1.00 0.00 H new ATOM 0 HA3 GLY B 1 20.388 3.901 3.329 1.00 0.00 H new ATOM 559 N SER B 2 20.404 1.478 4.705 1.00 0.00 N ATOM 560 CA SER B 2 20.884 0.158 5.075 1.00 0.00 C ATOM 561 C SER B 2 20.162 -0.904 4.258 1.00 0.00 C ATOM 562 O SER B 2 18.937 -0.887 4.152 1.00 0.00 O ATOM 563 CB SER B 2 20.649 -0.076 6.572 1.00 0.00 C ATOM 564 OG SER B 2 21.077 -1.368 6.973 1.00 0.00 O ATOM 0 H SER B 2 19.438 1.497 4.379 1.00 0.00 H new ATOM 0 HA SER B 2 21.952 0.093 4.869 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.184 0.680 7.147 1.00 0.00 H new ATOM 0 HB3 SER B 2 19.589 0.043 6.797 1.00 0.00 H new ATOM 0 HG SER B 2 20.914 -1.483 7.933 1.00 0.00 H new ATOM 570 N MET B 3 20.932 -1.822 3.677 1.00 0.00 N ATOM 571 CA MET B 3 20.368 -2.909 2.885 1.00 0.00 C ATOM 572 C MET B 3 19.549 -3.842 3.761 1.00 0.00 C ATOM 573 O MET B 3 18.595 -4.461 3.299 1.00 0.00 O ATOM 574 CB MET B 3 21.466 -3.702 2.172 1.00 0.00 C ATOM 575 CG MET B 3 22.164 -2.924 1.075 1.00 0.00 C ATOM 576 SD MET B 3 21.020 -2.330 -0.184 1.00 0.00 S ATOM 577 CE MET B 3 22.148 -1.454 -1.257 1.00 0.00 C ATOM 0 H MET B 3 21.950 -1.833 3.741 1.00 0.00 H new ATOM 0 HA MET B 3 19.717 -2.464 2.132 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.206 -4.022 2.906 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.030 -4.605 1.744 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.689 -2.076 1.513 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.917 -3.558 0.607 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.582 -0.906 -2.011 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.740 -0.754 -0.668 1.00 0.00 H new ATOM 0 HE3 MET B 3 22.811 -2.167 -1.748 1.00 0.00 H new ATOM 587 N LYS B 4 19.934 -3.937 5.027 1.00 0.00 N ATOM 588 CA LYS B 4 19.200 -4.738 5.993 1.00 0.00 C ATOM 589 C LYS B 4 17.795 -4.175 6.174 1.00 0.00 C ATOM 590 O LYS B 4 16.803 -4.898 6.074 1.00 0.00 O ATOM 591 CB LYS B 4 19.944 -4.752 7.331 1.00 0.00 C ATOM 592 CG LYS B 4 19.233 -5.536 8.421 1.00 0.00 C ATOM 593 CD LYS B 4 20.024 -5.541 9.720 1.00 0.00 C ATOM 594 CE LYS B 4 21.351 -6.270 9.573 1.00 0.00 C ATOM 595 NZ LYS B 4 21.163 -7.687 9.165 1.00 0.00 N ATOM 0 H LYS B 4 20.755 -3.466 5.408 1.00 0.00 H new ATOM 0 HA LYS B 4 19.122 -5.761 5.625 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.936 -5.177 7.180 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.085 -3.725 7.668 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.248 -5.103 8.597 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.075 -6.562 8.087 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.207 -4.514 10.038 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.433 -6.017 10.503 1.00 0.00 H new ATOM 0 HE2 LYS B 4 21.966 -5.758 8.833 1.00 0.00 H new ATOM 0 HE3 LYS B 4 21.892 -6.233 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.047 -8.213 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 20.403 -8.114 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.908 -7.727 8.158 1.00 0.00 H new ATOM 609 N GLN B 5 17.726 -2.874 6.420 1.00 0.00 N ATOM 610 CA GLN B 5 16.453 -2.188 6.571 1.00 0.00 C ATOM 611 C GLN B 5 15.676 -2.236 5.260 1.00 0.00 C ATOM 612 O GLN B 5 14.524 -2.664 5.228 1.00 0.00 O ATOM 613 CB GLN B 5 16.686 -0.738 7.001 1.00 0.00 C ATOM 614 CG GLN B 5 15.408 0.054 7.215 1.00 0.00 C ATOM 615 CD GLN B 5 15.676 1.471 7.679 1.00 0.00 C ATOM 616 OE1 GLN B 5 16.670 1.738 8.358 1.00 0.00 O ATOM 617 NE2 GLN B 5 14.797 2.388 7.316 1.00 0.00 N ATOM 0 H GLN B 5 18.542 -2.271 6.519 1.00 0.00 H new ATOM 0 HA GLN B 5 15.868 -2.690 7.342 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.264 -0.732 7.925 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.289 -0.237 6.244 1.00 0.00 H new ATOM 0 HG2 GLN B 5 14.841 0.081 6.285 1.00 0.00 H new ATOM 0 HG3 GLN B 5 14.788 -0.455 7.952 1.00 0.00 H new ATOM 0 HE21 GLN B 5 13.988 2.124 6.754 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.928 3.360 7.598 1.00 0.00 H new ATOM 626 N LEU B 6 16.334 -1.797 4.188 1.00 0.00 N ATOM 627 CA LEU B 6 15.764 -1.829 2.834 1.00 0.00 C ATOM 628 C LEU B 6 15.097 -3.172 2.547 1.00 0.00 C ATOM 629 O LEU B 6 13.929 -3.201 2.164 1.00 0.00 O ATOM 630 CB LEU B 6 16.848 -1.443 1.778 1.00 0.00 C ATOM 631 CG LEU B 6 16.697 -1.909 0.305 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.223 -3.317 0.110 1.00 0.00 C ATOM 633 CD2 LEU B 6 15.268 -1.800 -0.212 1.00 0.00 C ATOM 0 H LEU B 6 17.276 -1.409 4.229 1.00 0.00 H new ATOM 0 HA LEU B 6 14.974 -1.081 2.764 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.918 -0.355 1.768 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.804 -1.821 2.141 1.00 0.00 H new ATOM 0 HG LEU B 6 17.304 -1.224 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.101 -3.610 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.280 -3.351 0.375 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.667 -4.005 0.747 1.00 0.00 H new ATOM 0 HD21 LEU B 6 15.228 -2.140 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU B 6 14.612 -2.419 0.399 1.00 0.00 H new ATOM 0 HD23 LEU B 6 14.940 -0.762 -0.159 1.00 0.00 H new ATOM 645 N GLU B 7 15.811 -4.268 2.771 1.00 0.00 N ATOM 646 CA GLU B 7 15.282 -5.596 2.495 1.00 0.00 C ATOM 647 C GLU B 7 13.934 -5.810 3.180 1.00 0.00 C ATOM 648 O GLU B 7 12.952 -6.183 2.536 1.00 0.00 O ATOM 649 CB GLU B 7 16.278 -6.655 2.968 1.00 0.00 C ATOM 650 CG GLU B 7 15.876 -8.077 2.626 1.00 0.00 C ATOM 651 CD GLU B 7 16.783 -9.098 3.271 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.788 -9.486 2.641 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.501 -9.510 4.414 1.00 0.00 O ATOM 0 H GLU B 7 16.760 -4.262 3.144 1.00 0.00 H new ATOM 0 HA GLU B 7 15.132 -5.686 1.419 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.252 -6.447 2.524 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.396 -6.572 4.048 1.00 0.00 H new ATOM 0 HG2 GLU B 7 14.849 -8.250 2.949 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.896 -8.208 1.544 1.00 0.00 H new ATOM 660 N ASP B 8 13.888 -5.549 4.479 1.00 0.00 N ATOM 661 CA ASP B 8 12.682 -5.788 5.260 1.00 0.00 C ATOM 662 C ASP B 8 11.560 -4.823 4.887 1.00 0.00 C ATOM 663 O ASP B 8 10.433 -5.247 4.638 1.00 0.00 O ATOM 664 CB ASP B 8 12.978 -5.692 6.759 1.00 0.00 C ATOM 665 CG ASP B 8 13.676 -6.926 7.297 1.00 0.00 C ATOM 666 OD1 ASP B 8 12.976 -7.900 7.659 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.921 -6.933 7.370 1.00 0.00 O ATOM 0 H ASP B 8 14.671 -5.172 5.014 1.00 0.00 H new ATOM 0 HA ASP B 8 12.346 -6.798 5.027 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.600 -4.817 6.947 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.044 -5.542 7.301 1.00 0.00 H new ATOM 672 N LYS B 9 11.872 -3.534 4.841 1.00 0.00 N ATOM 673 CA LYS B 9 10.839 -2.504 4.582 1.00 0.00 C ATOM 674 C LYS B 9 10.261 -2.616 3.182 1.00 0.00 C ATOM 675 O LYS B 9 9.044 -2.530 3.007 1.00 0.00 O ATOM 676 CB LYS B 9 11.356 -1.070 4.746 1.00 0.00 C ATOM 677 CG LYS B 9 12.277 -0.846 5.942 1.00 0.00 C ATOM 678 CD LYS B 9 11.654 -1.298 7.261 1.00 0.00 C ATOM 679 CE LYS B 9 10.292 -0.664 7.502 1.00 0.00 C ATOM 680 NZ LYS B 9 9.608 -1.260 8.678 1.00 0.00 N ATOM 0 H LYS B 9 12.814 -3.167 4.976 1.00 0.00 H new ATOM 0 HA LYS B 9 10.073 -2.699 5.332 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.889 -0.787 3.839 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.501 -0.400 4.835 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.210 -1.386 5.782 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.528 0.213 6.008 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.552 -2.383 7.259 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.322 -1.042 8.083 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.412 0.408 7.656 1.00 0.00 H new ATOM 0 HE3 LYS B 9 9.670 -0.791 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.872 -0.609 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 9.172 -2.164 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.301 -1.425 9.436 1.00 0.00 H new ATOM 694 N VAL B 10 11.128 -2.797 2.188 1.00 0.00 N ATOM 695 CA VAL B 10 10.689 -2.864 0.796 1.00 0.00 C ATOM 696 C VAL B 10 9.730 -4.041 0.655 1.00 0.00 C ATOM 697 O VAL B 10 8.801 -4.036 -0.156 1.00 0.00 O ATOM 698 CB VAL B 10 11.885 -3.007 -0.184 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.440 -4.423 -0.204 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.500 -2.557 -1.584 1.00 0.00 C ATOM 0 H VAL B 10 12.134 -2.899 2.320 1.00 0.00 H new ATOM 0 HA VAL B 10 10.186 -1.933 0.535 1.00 0.00 H new ATOM 0 HB VAL B 10 12.678 -2.354 0.181 1.00 0.00 H new ATOM 0 HG11 VAL B 10 13.275 -4.477 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.785 -4.693 0.794 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.659 -5.116 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.356 -2.668 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL B 10 10.675 -3.169 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL B 10 11.193 -1.511 -1.559 1.00 0.00 H new ATOM 710 N GLU B 11 9.958 -5.036 1.507 1.00 0.00 N ATOM 711 CA GLU B 11 9.093 -6.207 1.583 1.00 0.00 C ATOM 712 C GLU B 11 7.786 -5.907 2.317 1.00 0.00 C ATOM 713 O GLU B 11 6.710 -6.185 1.790 1.00 0.00 O ATOM 714 CB GLU B 11 9.814 -7.374 2.262 1.00 0.00 C ATOM 715 CG GLU B 11 10.788 -8.095 1.349 1.00 0.00 C ATOM 716 CD GLU B 11 10.094 -8.739 0.167 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.207 -8.210 -0.958 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.418 -9.772 0.362 1.00 0.00 O ATOM 0 H GLU B 11 10.742 -5.053 2.159 1.00 0.00 H new ATOM 0 HA GLU B 11 8.847 -6.486 0.558 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.353 -7.001 3.133 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.074 -8.086 2.626 1.00 0.00 H new ATOM 0 HG2 GLU B 11 11.536 -7.389 0.988 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.318 -8.859 1.917 1.00 0.00 H new ATOM 725 N GLU B 12 7.873 -5.344 3.529 1.00 0.00 N ATOM 726 CA GLU B 12 6.682 -5.064 4.338 1.00 0.00 C ATOM 727 C GLU B 12 5.699 -4.189 3.576 1.00 0.00 C ATOM 728 O GLU B 12 4.550 -4.570 3.347 1.00 0.00 O ATOM 729 CB GLU B 12 7.062 -4.355 5.639 1.00 0.00 C ATOM 730 CG GLU B 12 7.935 -5.174 6.566 1.00 0.00 C ATOM 731 CD GLU B 12 8.226 -4.444 7.858 1.00 0.00 C ATOM 732 OE1 GLU B 12 9.289 -3.801 7.960 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.385 -4.498 8.779 1.00 0.00 O ATOM 0 H GLU B 12 8.753 -5.075 3.969 1.00 0.00 H new ATOM 0 HA GLU B 12 6.214 -6.022 4.566 1.00 0.00 H new ATOM 0 HB2 GLU B 12 7.581 -3.428 5.395 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.150 -4.079 6.168 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.442 -6.121 6.787 1.00 0.00 H new ATOM 0 HG3 GLU B 12 8.873 -5.413 6.065 1.00 0.00 H new ATOM 740 N LEU B 13 6.172 -3.008 3.209 1.00 0.00 N ATOM 741 CA LEU B 13 5.391 -2.037 2.455 1.00 0.00 C ATOM 742 C LEU B 13 4.694 -2.673 1.257 1.00 0.00 C ATOM 743 O LEU B 13 3.504 -2.464 1.061 1.00 0.00 O ATOM 744 CB LEU B 13 6.289 -0.896 1.977 1.00 0.00 C ATOM 745 CG LEU B 13 6.988 -0.106 3.084 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.906 0.947 2.483 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.965 0.539 4.008 1.00 0.00 C ATOM 0 H LEU B 13 7.117 -2.693 3.428 1.00 0.00 H new ATOM 0 HA LEU B 13 4.623 -1.648 3.124 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.048 -1.308 1.312 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.688 -0.206 1.385 1.00 0.00 H new ATOM 0 HG LEU B 13 7.593 -0.796 3.673 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.397 1.501 3.283 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.660 0.462 1.863 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.321 1.634 1.872 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.481 1.097 4.789 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.334 1.218 3.435 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.347 -0.235 4.463 1.00 0.00 H new ATOM 759 N LEU B 14 5.430 -3.451 0.467 1.00 0.00 N ATOM 760 CA LEU B 14 4.865 -4.073 -0.727 1.00 0.00 C ATOM 761 C LEU B 14 3.847 -5.152 -0.359 1.00 0.00 C ATOM 762 O LEU B 14 2.768 -5.212 -0.950 1.00 0.00 O ATOM 763 CB LEU B 14 5.972 -4.652 -1.622 1.00 0.00 C ATOM 764 CG LEU B 14 5.489 -5.377 -2.884 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.711 -4.436 -3.792 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.668 -5.978 -3.632 1.00 0.00 C ATOM 0 H LEU B 14 6.414 -3.665 0.631 1.00 0.00 H new ATOM 0 HA LEU B 14 4.344 -3.298 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.635 -3.840 -1.922 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.567 -5.347 -1.030 1.00 0.00 H new ATOM 0 HG LEU B 14 4.820 -6.181 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.381 -4.977 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.843 -4.050 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.352 -3.606 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.310 -6.489 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.359 -5.185 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.182 -6.691 -2.988 1.00 0.00 H new ATOM 778 N SER B 15 4.179 -5.990 0.622 1.00 0.00 N ATOM 779 CA SER B 15 3.262 -7.028 1.080 1.00 0.00 C ATOM 780 C SER B 15 1.944 -6.417 1.562 1.00 0.00 C ATOM 781 O SER B 15 0.862 -6.874 1.188 1.00 0.00 O ATOM 782 CB SER B 15 3.910 -7.846 2.199 1.00 0.00 C ATOM 783 OG SER B 15 5.162 -8.370 1.784 1.00 0.00 O ATOM 0 H SER B 15 5.073 -5.969 1.112 1.00 0.00 H new ATOM 0 HA SER B 15 3.043 -7.688 0.241 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.048 -7.219 3.080 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.248 -8.662 2.489 1.00 0.00 H new ATOM 0 HG SER B 15 5.844 -7.669 1.838 1.00 0.00 H new ATOM 789 N LYS B 16 2.040 -5.368 2.374 1.00 0.00 N ATOM 790 CA LYS B 16 0.854 -4.695 2.887 1.00 0.00 C ATOM 791 C LYS B 16 0.158 -3.919 1.770 1.00 0.00 C ATOM 792 O LYS B 16 -1.068 -3.893 1.697 1.00 0.00 O ATOM 793 CB LYS B 16 1.222 -3.758 4.047 1.00 0.00 C ATOM 794 CG LYS B 16 0.023 -3.092 4.716 1.00 0.00 C ATOM 795 CD LYS B 16 0.458 -2.171 5.853 1.00 0.00 C ATOM 796 CE LYS B 16 -0.717 -1.413 6.470 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.274 -0.466 7.531 1.00 0.00 N ATOM 0 H LYS B 16 2.924 -4.968 2.689 1.00 0.00 H new ATOM 0 HA LYS B 16 0.165 -5.451 3.265 1.00 0.00 H new ATOM 0 HB2 LYS B 16 1.774 -4.325 4.797 1.00 0.00 H new ATOM 0 HB3 LYS B 16 1.893 -2.984 3.675 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.536 -2.519 3.976 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.650 -3.857 5.103 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.953 -2.760 6.625 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.191 -1.457 5.478 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.244 -0.863 5.690 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.426 -2.125 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.101 0.028 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.206 -0.993 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.383 0.230 7.123 1.00 0.00 H new ATOM 811 N ASN B 17 0.951 -3.296 0.898 1.00 0.00 N ATOM 812 CA ASN B 17 0.425 -2.557 -0.250 1.00 0.00 C ATOM 813 C ASN B 17 -0.480 -3.449 -1.093 1.00 0.00 C ATOM 814 O ASN B 17 -1.606 -3.077 -1.417 1.00 0.00 O ATOM 815 CB ASN B 17 1.580 -2.030 -1.113 1.00 0.00 C ATOM 816 CG ASN B 17 1.123 -1.110 -2.235 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.787 -1.569 -3.325 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.137 0.198 -1.999 1.00 0.00 N ATOM 0 H ASN B 17 1.969 -3.289 0.966 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.159 -1.715 0.122 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.284 -1.493 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.118 -2.875 -1.542 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.864 0.852 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.421 0.548 -1.084 1.00 0.00 H new ATOM 825 N TYR B 18 0.026 -4.629 -1.437 1.00 0.00 N ATOM 826 CA TYR B 18 -0.721 -5.603 -2.196 1.00 0.00 C ATOM 827 C TYR B 18 -2.042 -5.944 -1.511 1.00 0.00 C ATOM 828 O TYR B 18 -3.092 -5.994 -2.151 1.00 0.00 O ATOM 829 CB TYR B 18 0.132 -6.855 -2.348 1.00 0.00 C ATOM 830 CG TYR B 18 -0.362 -7.779 -3.415 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.228 -7.438 -4.747 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.958 -8.987 -3.098 1.00 0.00 C ATOM 833 CE1 TYR B 18 -0.674 -8.272 -5.739 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.408 -9.833 -4.085 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.265 -9.473 -5.408 1.00 0.00 C ATOM 836 OH TYR B 18 -1.710 -10.318 -6.399 1.00 0.00 O ATOM 0 H TYR B 18 0.970 -4.929 -1.192 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.959 -5.188 -3.175 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.157 -6.563 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.156 -7.388 -1.397 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.236 -6.499 -5.011 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.071 -9.269 -2.062 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -0.563 -7.990 -6.776 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.871 -10.774 -3.825 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.099 -11.121 -5.994 1.00 0.00 H new ATOM 846 N HIS B 19 -1.982 -6.163 -0.203 1.00 0.00 N ATOM 847 CA HIS B 19 -3.168 -6.514 0.568 1.00 0.00 C ATOM 848 C HIS B 19 -4.174 -5.369 0.570 1.00 0.00 C ATOM 849 O HIS B 19 -5.369 -5.583 0.356 1.00 0.00 O ATOM 850 CB HIS B 19 -2.795 -6.879 2.008 1.00 0.00 C ATOM 851 CG HIS B 19 -1.991 -8.137 2.127 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.217 -8.435 3.227 1.00 0.00 N ATOM 853 CD2 HIS B 19 -1.852 -9.182 1.278 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.638 -9.607 3.050 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.006 -10.083 1.876 1.00 0.00 N ATOM 0 H HIS B 19 -1.124 -6.104 0.346 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.625 -7.382 0.093 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.231 -6.056 2.446 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.708 -6.986 2.593 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.320 -9.287 0.310 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.026 -10.095 3.749 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -0.710 -10.974 1.478 1.00 0.00 H new ATOM 864 N LEU B 20 -3.682 -4.155 0.797 1.00 0.00 N ATOM 865 CA LEU B 20 -4.537 -2.976 0.834 1.00 0.00 C ATOM 866 C LEU B 20 -5.196 -2.735 -0.515 1.00 0.00 C ATOM 867 O LEU B 20 -6.397 -2.510 -0.586 1.00 0.00 O ATOM 868 CB LEU B 20 -3.741 -1.737 1.245 1.00 0.00 C ATOM 869 CG LEU B 20 -3.100 -1.796 2.632 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.260 -0.557 2.871 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.162 -1.939 3.710 1.00 0.00 C ATOM 0 H LEU B 20 -2.693 -3.963 0.958 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.314 -3.160 1.576 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.956 -1.570 0.508 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.403 -0.872 1.206 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.452 -2.671 2.678 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.808 -0.609 3.862 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.475 -0.498 2.117 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.892 0.329 2.807 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.684 -1.979 4.689 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.838 -1.084 3.671 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.727 -2.856 3.545 1.00 0.00 H new ATOM 883 N GLU B 21 -4.406 -2.802 -1.582 1.00 0.00 N ATOM 884 CA GLU B 21 -4.907 -2.558 -2.935 1.00 0.00 C ATOM 885 C GLU B 21 -6.052 -3.520 -3.251 1.00 0.00 C ATOM 886 O GLU B 21 -7.088 -3.120 -3.787 1.00 0.00 O ATOM 887 CB GLU B 21 -3.758 -2.736 -3.943 1.00 0.00 C ATOM 888 CG GLU B 21 -3.821 -1.839 -5.179 1.00 0.00 C ATOM 889 CD GLU B 21 -5.027 -2.107 -6.055 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.841 -1.182 -6.262 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.157 -3.247 -6.553 1.00 0.00 O ATOM 0 H GLU B 21 -3.411 -3.024 -1.538 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.287 -1.539 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.815 -2.550 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.743 -3.776 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.836 -0.796 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.915 -1.980 -5.768 1.00 0.00 H new ATOM 898 N ASN B 22 -5.868 -4.781 -2.883 1.00 0.00 N ATOM 899 CA ASN B 22 -6.887 -5.801 -3.101 1.00 0.00 C ATOM 900 C ASN B 22 -8.116 -5.545 -2.234 1.00 0.00 C ATOM 901 O ASN B 22 -9.244 -5.846 -2.634 1.00 0.00 O ATOM 902 CB ASN B 22 -6.322 -7.195 -2.819 1.00 0.00 C ATOM 903 CG ASN B 22 -5.397 -7.684 -3.919 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.766 -6.892 -4.622 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.310 -8.996 -4.076 1.00 0.00 N ATOM 0 H ASN B 22 -5.020 -5.123 -2.431 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.191 -5.750 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.779 -7.179 -1.874 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.145 -7.900 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.704 -9.384 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.849 -9.619 -3.474 1.00 0.00 H new ATOM 912 N GLU B 23 -7.901 -4.996 -1.044 1.00 0.00 N ATOM 913 CA GLU B 23 -9.006 -4.615 -0.176 1.00 0.00 C ATOM 914 C GLU B 23 -9.751 -3.423 -0.751 1.00 0.00 C ATOM 915 O GLU B 23 -10.983 -3.418 -0.789 1.00 0.00 O ATOM 916 CB GLU B 23 -8.510 -4.296 1.234 1.00 0.00 C ATOM 917 CG GLU B 23 -8.415 -5.517 2.129 1.00 0.00 C ATOM 918 CD GLU B 23 -9.768 -6.158 2.357 1.00 0.00 C ATOM 919 OE1 GLU B 23 -10.390 -5.897 3.410 1.00 0.00 O ATOM 920 OE2 GLU B 23 -10.225 -6.921 1.480 1.00 0.00 O ATOM 0 H GLU B 23 -6.975 -4.806 -0.660 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.691 -5.461 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.529 -3.825 1.168 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.182 -3.570 1.692 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.740 -6.245 1.679 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.983 -5.231 3.088 1.00 0.00 H new ATOM 927 N VAL B 24 -8.998 -2.425 -1.207 1.00 0.00 N ATOM 928 CA VAL B 24 -9.578 -1.243 -1.828 1.00 0.00 C ATOM 929 C VAL B 24 -10.512 -1.651 -2.964 1.00 0.00 C ATOM 930 O VAL B 24 -11.697 -1.318 -2.961 1.00 0.00 O ATOM 931 CB VAL B 24 -8.496 -0.294 -2.394 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.134 0.887 -3.111 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.578 0.202 -1.292 1.00 0.00 C ATOM 0 H VAL B 24 -7.979 -2.414 -1.156 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.130 -0.714 -1.051 1.00 0.00 H new ATOM 0 HB VAL B 24 -7.902 -0.860 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.354 1.541 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.748 0.524 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.758 1.444 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.826 0.867 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.162 0.743 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.085 -0.647 -0.819 1.00 0.00 H new ATOM 943 N ALA B 25 -9.966 -2.403 -3.917 1.00 0.00 N ATOM 944 CA ALA B 25 -10.711 -2.836 -5.095 1.00 0.00 C ATOM 945 C ALA B 25 -11.969 -3.621 -4.729 1.00 0.00 C ATOM 946 O ALA B 25 -13.026 -3.426 -5.337 1.00 0.00 O ATOM 947 CB ALA B 25 -9.818 -3.669 -6.000 1.00 0.00 C ATOM 0 H ALA B 25 -8.999 -2.728 -3.894 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.033 -1.939 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.383 -3.987 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -8.963 -3.072 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.466 -4.546 -5.457 1.00 0.00 H new ATOM 953 N ARG B 26 -11.859 -4.502 -3.739 1.00 0.00 N ATOM 954 CA ARG B 26 -12.994 -5.302 -3.299 1.00 0.00 C ATOM 955 C ARG B 26 -14.093 -4.405 -2.751 1.00 0.00 C ATOM 956 O ARG B 26 -15.241 -4.479 -3.182 1.00 0.00 O ATOM 957 CB ARG B 26 -12.567 -6.314 -2.228 1.00 0.00 C ATOM 958 CG ARG B 26 -13.714 -7.182 -1.729 1.00 0.00 C ATOM 959 CD ARG B 26 -13.248 -8.244 -0.742 1.00 0.00 C ATOM 960 NE ARG B 26 -12.732 -7.672 0.505 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.368 -7.735 1.677 1.00 0.00 C ATOM 962 NH1 ARG B 26 -14.585 -8.261 1.757 1.00 0.00 N ATOM 963 NH2 ARG B 26 -12.785 -7.263 2.771 1.00 0.00 N ATOM 0 H ARG B 26 -10.995 -4.679 -3.227 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.376 -5.849 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.785 -6.955 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.132 -5.778 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.464 -6.551 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.197 -7.665 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -14.079 -8.911 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.471 -8.850 -1.207 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.830 -7.196 0.475 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -15.041 -8.621 0.919 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -15.063 -8.305 2.657 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -11.853 -6.853 2.716 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.269 -7.310 3.668 1.00 0.00 H new ATOM 977 N LEU B 27 -13.725 -3.543 -1.815 1.00 0.00 N ATOM 978 CA LEU B 27 -14.682 -2.654 -1.175 1.00 0.00 C ATOM 979 C LEU B 27 -15.300 -1.677 -2.180 1.00 0.00 C ATOM 980 O LEU B 27 -16.420 -1.214 -1.980 1.00 0.00 O ATOM 981 CB LEU B 27 -14.009 -1.900 -0.030 1.00 0.00 C ATOM 982 CG LEU B 27 -13.390 -2.789 1.044 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.615 -1.951 2.041 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.462 -3.602 1.751 1.00 0.00 C ATOM 0 H LEU B 27 -12.767 -3.440 -1.481 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.493 -3.261 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.231 -1.258 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.745 -1.247 0.439 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.699 -3.481 0.562 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.179 -2.600 2.801 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.820 -1.413 1.524 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.287 -1.236 2.516 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.000 -4.229 2.513 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.179 -2.929 2.221 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.978 -4.232 1.026 1.00 0.00 H new ATOM 996 N LYS B 28 -14.582 -1.387 -3.265 1.00 0.00 N ATOM 997 CA LYS B 28 -15.108 -0.523 -4.316 1.00 0.00 C ATOM 998 C LYS B 28 -16.340 -1.165 -4.938 1.00 0.00 C ATOM 999 O LYS B 28 -17.379 -0.527 -5.088 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.062 -0.283 -5.413 1.00 0.00 C ATOM 1001 CG LYS B 28 -12.876 0.570 -4.993 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.264 2.027 -4.804 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.041 2.895 -4.539 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.396 4.327 -4.378 1.00 0.00 N ATOM 0 H LYS B 28 -13.639 -1.737 -3.437 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.368 0.435 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.692 -1.248 -5.759 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.551 0.194 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.461 0.181 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.092 0.498 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.782 2.386 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.962 2.115 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.536 2.544 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.335 2.787 -5.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.615 4.828 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.566 4.750 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.257 4.408 -3.800 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.208 -2.441 -5.295 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.310 -3.204 -5.870 1.00 0.00 C ATOM 1020 C LYS B 29 -18.491 -3.292 -4.901 1.00 0.00 C ATOM 1021 O LYS B 29 -19.645 -3.369 -5.323 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.829 -4.615 -6.233 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.579 -4.635 -7.106 1.00 0.00 C ATOM 1024 CD LYS B 29 -14.996 -6.034 -7.211 1.00 0.00 C ATOM 1025 CE LYS B 29 -13.721 -6.041 -8.037 1.00 0.00 C ATOM 1026 NZ LYS B 29 -13.123 -7.397 -8.124 1.00 0.00 N ATOM 0 H LYS B 29 -15.342 -2.970 -5.194 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.648 -2.688 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.628 -5.167 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.631 -5.140 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.824 -4.266 -8.102 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.832 -3.959 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.787 -6.419 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.729 -6.702 -7.664 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.937 -5.675 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.999 -5.354 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.255 -7.358 -8.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.893 -7.737 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.802 -8.048 -8.569 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.202 -3.272 -3.605 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.246 -3.368 -2.587 1.00 0.00 C ATOM 1042 C LEU B 30 -19.976 -2.035 -2.402 1.00 0.00 C ATOM 1043 O LEU B 30 -21.207 -1.999 -2.365 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.665 -3.842 -1.249 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.594 -5.364 -1.048 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -19.983 -5.980 -1.111 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -17.680 -6.018 -2.072 1.00 0.00 C ATOM 0 H LEU B 30 -17.256 -3.190 -3.233 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.970 -4.105 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.659 -3.435 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.264 -3.416 -0.444 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.175 -5.546 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -19.910 -7.058 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -20.607 -5.550 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -20.429 -5.774 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -17.653 -7.094 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -18.057 -5.820 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -16.674 -5.610 -1.975 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.222 -0.948 -2.267 1.00 0.00 N ATOM 1060 CA VAL B 31 -19.813 0.385 -2.171 1.00 0.00 C ATOM 1061 C VAL B 31 -20.523 0.769 -3.472 1.00 0.00 C ATOM 1062 O VAL B 31 -21.534 1.472 -3.453 1.00 0.00 O ATOM 1063 CB VAL B 31 -18.739 1.452 -1.850 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -19.359 2.835 -1.710 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -17.979 1.083 -0.587 1.00 0.00 C ATOM 0 H VAL B 31 -18.203 -0.963 -2.222 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.540 0.353 -1.360 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.038 1.480 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -18.579 3.562 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -19.852 3.109 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.091 2.826 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.228 1.845 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -18.674 1.019 0.250 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.489 0.120 -0.726 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.013 0.280 -4.595 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.632 0.563 -5.868 1.00 0.00 C ATOM 1077 C GLY B 32 -19.834 1.564 -6.670 1.00 0.00 C ATOM 1078 O GLY B 32 -18.606 1.578 -6.594 1.00 0.00 O ATOM 0 H GLY B 32 -19.181 -0.308 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.732 -0.361 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.639 0.948 -5.705 1.00 0.00 H new ATOM 1082 N GLU B 33 -20.539 2.411 -7.413 1.00 0.00 N ATOM 1083 CA GLU B 33 -19.918 3.409 -8.283 1.00 0.00 C ATOM 1084 C GLU B 33 -19.125 2.719 -9.391 1.00 0.00 C ATOM 1085 O GLU B 33 -17.882 2.638 -9.286 1.00 0.00 O ATOM 1086 CB GLU B 33 -19.005 4.356 -7.478 1.00 0.00 C ATOM 1087 CG GLU B 33 -19.723 5.117 -6.372 1.00 0.00 C ATOM 1088 CD GLU B 33 -20.925 5.884 -6.876 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.065 5.423 -6.659 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -20.739 6.953 -7.495 1.00 0.00 O ATOM 1091 OXT GLU B 33 -19.756 2.225 -10.348 1.00 0.00 O ATOM 0 H GLU B 33 -21.559 2.426 -7.430 1.00 0.00 H new ATOM 0 HA GLU B 33 -20.709 4.008 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -18.194 3.775 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -18.549 5.073 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -20.042 4.415 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -19.026 5.810 -5.902 1.00 0.00 H new TER 1098 GLU B 33