USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 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 17 ASN : amide:sc= -0.371 K(o=-0.76,f=-5.4!) USER MOD Set 1.2: B 17 ASN : amide:sc= -0.385 K(o=-0.76,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0992 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 3 MET CE :methyl -154:sc= -0.0779 (180deg=-0.497) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc=-0.00211 (180deg=-0.135) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.676 F(o=-2.3!,f=-0.68) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 1.19 (180deg=1.1) USER MOD Single : A 15 SER OG : rot 12:sc= 1.2 USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0.00392 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0188 K(o=-0.019,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= -0.0573 (180deg=-0.304) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0546 (180deg=-0.268) USER MOD Single : B 1 GLY N :NH3+ -116:sc= 0.101 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0498 USER MOD Single : B 3 MET CE :methyl -158:sc= -0.0869 (180deg=-0.453) USER MOD Single : B 4 LYS NZ :NH3+ -172:sc=-2.19e-05 (180deg=-0.134) USER MOD Single : B 5 GLN :FLIP amide:sc= -0.671 F(o=-2.3!,f=-0.67) USER MOD Single : B 9 LYS NZ :NH3+ 149:sc= 1.17 (180deg=1.03) USER MOD Single : B 15 SER OG : rot 12:sc= 1.23 USER MOD Single : B 16 LYS NZ :NH3+ 162:sc= 0.0639 (180deg=0.0135) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : B 28 LYS NZ :NH3+ 163:sc= -0.0679 (180deg=-0.352) USER MOD Single : B 29 LYS NZ :NH3+ 167:sc= -0.0248 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.959 -3.320 -7.415 1.00 0.00 N ATOM 2 CA GLY A 1 19.933 -1.840 -7.350 1.00 0.00 C ATOM 3 C GLY A 1 20.718 -1.315 -6.171 1.00 0.00 C ATOM 4 O GLY A 1 21.154 -2.088 -5.316 1.00 0.00 O ATOM 0 H1 GLY A 1 20.477 -3.621 -8.265 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.433 -3.696 -6.569 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.985 -3.683 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.344 -1.429 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.901 -1.498 -7.280 1.00 0.00 H new ATOM 10 N SER A 2 20.897 -0.005 -6.117 1.00 0.00 N ATOM 11 CA SER A 2 21.664 0.616 -5.052 1.00 0.00 C ATOM 12 C SER A 2 20.808 0.831 -3.807 1.00 0.00 C ATOM 13 O SER A 2 19.605 0.546 -3.811 1.00 0.00 O ATOM 14 CB SER A 2 22.220 1.955 -5.536 1.00 0.00 C ATOM 15 OG SER A 2 21.171 2.801 -5.978 1.00 0.00 O ATOM 0 H SER A 2 20.519 0.650 -6.802 1.00 0.00 H new ATOM 0 HA SER A 2 22.485 -0.051 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.770 2.440 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.927 1.789 -6.349 1.00 0.00 H new ATOM 0 HG SER A 2 21.545 3.654 -6.283 1.00 0.00 H new ATOM 21 N MET A 3 21.427 1.339 -2.748 1.00 0.00 N ATOM 22 CA MET A 3 20.701 1.689 -1.536 1.00 0.00 C ATOM 23 C MET A 3 19.699 2.797 -1.843 1.00 0.00 C ATOM 24 O MET A 3 18.554 2.759 -1.393 1.00 0.00 O ATOM 25 CB MET A 3 21.676 2.140 -0.443 1.00 0.00 C ATOM 26 CG MET A 3 21.001 2.515 0.868 1.00 0.00 C ATOM 27 SD MET A 3 22.165 3.119 2.111 1.00 0.00 S ATOM 28 CE MET A 3 23.180 1.664 2.369 1.00 0.00 C ATOM 0 H MET A 3 22.430 1.517 -2.705 1.00 0.00 H new ATOM 0 HA MET A 3 20.164 0.812 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.392 1.340 -0.256 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.243 2.997 -0.807 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.250 3.282 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.475 1.645 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.611 1.694 3.370 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.566 0.769 2.265 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.980 1.643 1.629 1.00 0.00 H new ATOM 38 N LYS A 4 20.140 3.766 -2.640 1.00 0.00 N ATOM 39 CA LYS A 4 19.295 4.878 -3.056 1.00 0.00 C ATOM 40 C LYS A 4 18.064 4.377 -3.809 1.00 0.00 C ATOM 41 O LYS A 4 16.955 4.862 -3.593 1.00 0.00 O ATOM 42 CB LYS A 4 20.092 5.843 -3.938 1.00 0.00 C ATOM 43 CG LYS A 4 19.270 6.994 -4.499 1.00 0.00 C ATOM 44 CD LYS A 4 18.754 7.907 -3.399 1.00 0.00 C ATOM 45 CE LYS A 4 17.814 8.967 -3.951 1.00 0.00 C ATOM 46 NZ LYS A 4 18.472 9.817 -4.981 1.00 0.00 N ATOM 0 H LYS A 4 21.089 3.802 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 4 18.959 5.404 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.919 6.251 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.529 5.285 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.880 7.571 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.428 6.597 -5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.234 7.314 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.595 8.389 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.939 8.484 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.459 9.596 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.844 10.607 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.366 10.191 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.666 9.247 -5.829 1.00 0.00 H new ATOM 60 N GLN A 5 18.270 3.395 -4.681 1.00 0.00 N ATOM 61 CA GLN A 5 17.180 2.818 -5.464 1.00 0.00 C ATOM 62 C GLN A 5 16.105 2.253 -4.539 1.00 0.00 C ATOM 63 O GLN A 5 14.907 2.446 -4.766 1.00 0.00 O ATOM 64 CB GLN A 5 17.726 1.733 -6.404 1.00 0.00 C ATOM 65 CG GLN A 5 16.711 1.191 -7.410 1.00 0.00 C ATOM 66 CD GLN A 5 15.806 0.108 -6.843 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.332 -0.703 -5.940 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 14.644 -0.012 -7.233 1.00 0.00 N flip ATOM 0 H GLN A 5 19.184 2.981 -4.864 1.00 0.00 H new ATOM 0 HA GLN A 5 16.724 3.600 -6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.577 2.139 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.099 0.904 -5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.095 2.015 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.245 0.791 -8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.271 0.632 -7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.054 -0.755 -6.858 1.00 0.00 H new ATOM 77 N LEU A 6 16.542 1.573 -3.487 1.00 0.00 N ATOM 78 CA LEU A 6 15.618 1.005 -2.512 1.00 0.00 C ATOM 79 C LEU A 6 14.989 2.101 -1.663 1.00 0.00 C ATOM 80 O LEU A 6 13.839 1.984 -1.242 1.00 0.00 O ATOM 81 CB LEU A 6 16.316 -0.015 -1.606 1.00 0.00 C ATOM 82 CG LEU A 6 16.820 -1.280 -2.301 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.587 -2.146 -1.320 1.00 0.00 C ATOM 84 CD2 LEU A 6 15.658 -2.061 -2.894 1.00 0.00 C ATOM 0 H LEU A 6 17.527 1.401 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 6 14.835 0.491 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.162 0.474 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.623 -0.307 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 6 17.489 -0.987 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 6 17.941 -3.044 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.439 -1.589 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.933 -2.429 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.035 -2.958 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.967 -2.345 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.137 -1.441 -3.623 1.00 0.00 H new ATOM 96 N GLU A 7 15.739 3.168 -1.420 1.00 0.00 N ATOM 97 CA GLU A 7 15.241 4.284 -0.634 1.00 0.00 C ATOM 98 C GLU A 7 14.111 4.996 -1.372 1.00 0.00 C ATOM 99 O GLU A 7 13.095 5.348 -0.778 1.00 0.00 O ATOM 100 CB GLU A 7 16.376 5.259 -0.307 1.00 0.00 C ATOM 101 CG GLU A 7 15.911 6.564 0.324 1.00 0.00 C ATOM 102 CD GLU A 7 17.062 7.478 0.673 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.438 7.540 1.861 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.605 8.135 -0.239 1.00 0.00 O ATOM 0 H GLU A 7 16.695 3.282 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 7 14.844 3.896 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.077 4.770 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.922 5.485 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.239 7.077 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.339 6.345 1.225 1.00 0.00 H new ATOM 111 N ASP A 8 14.279 5.192 -2.676 1.00 0.00 N ATOM 112 CA ASP A 8 13.222 5.784 -3.494 1.00 0.00 C ATOM 113 C ASP A 8 11.970 4.917 -3.459 1.00 0.00 C ATOM 114 O ASP A 8 10.849 5.416 -3.526 1.00 0.00 O ATOM 115 CB ASP A 8 13.671 5.956 -4.947 1.00 0.00 C ATOM 116 CG ASP A 8 14.598 7.135 -5.153 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.186 8.281 -4.872 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.725 6.930 -5.644 1.00 0.00 O ATOM 0 H ASP A 8 15.129 4.953 -3.187 1.00 0.00 H new ATOM 0 HA ASP A 8 13.000 6.766 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.174 5.046 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.792 6.079 -5.579 1.00 0.00 H new ATOM 123 N LYS A 9 12.179 3.614 -3.336 1.00 0.00 N ATOM 124 CA LYS A 9 11.085 2.654 -3.332 1.00 0.00 C ATOM 125 C LYS A 9 10.384 2.574 -1.989 1.00 0.00 C ATOM 126 O LYS A 9 9.157 2.565 -1.931 1.00 0.00 O ATOM 127 CB LYS A 9 11.595 1.274 -3.682 1.00 0.00 C ATOM 128 CG LYS A 9 11.442 0.905 -5.147 1.00 0.00 C ATOM 129 CD LYS A 9 9.981 0.886 -5.576 1.00 0.00 C ATOM 130 CE LYS A 9 9.835 0.564 -7.054 1.00 0.00 C ATOM 131 NZ LYS A 9 8.411 0.513 -7.474 1.00 0.00 N ATOM 0 H LYS A 9 13.104 3.195 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 9 10.369 3.003 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.649 1.209 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.065 0.539 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.992 1.619 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.885 -0.075 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.438 0.147 -4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.528 1.855 -5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.360 1.316 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.310 -0.394 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.342 0.715 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.026 -0.434 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.867 1.222 -6.943 1.00 0.00 H new ATOM 145 N VAL A 10 11.168 2.503 -0.915 1.00 0.00 N ATOM 146 CA VAL A 10 10.618 2.429 0.436 1.00 0.00 C ATOM 147 C VAL A 10 9.755 3.664 0.663 1.00 0.00 C ATOM 148 O VAL A 10 8.798 3.663 1.434 1.00 0.00 O ATOM 149 CB VAL A 10 11.731 2.331 1.512 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.481 3.642 1.678 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.154 1.875 2.840 1.00 0.00 C ATOM 0 H VAL A 10 12.187 2.495 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 10 10.019 1.523 0.529 1.00 0.00 H new ATOM 0 HB VAL A 10 12.449 1.587 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.251 3.527 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.947 3.917 0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.784 4.424 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.951 1.813 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.402 2.590 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.694 0.894 2.719 1.00 0.00 H new ATOM 161 N GLU A 11 10.105 4.700 -0.078 1.00 0.00 N ATOM 162 CA GLU A 11 9.355 5.955 -0.082 1.00 0.00 C ATOM 163 C GLU A 11 8.105 5.851 -0.958 1.00 0.00 C ATOM 164 O GLU A 11 6.991 6.109 -0.493 1.00 0.00 O ATOM 165 CB GLU A 11 10.236 7.100 -0.581 1.00 0.00 C ATOM 166 CG GLU A 11 11.294 7.540 0.415 1.00 0.00 C ATOM 167 CD GLU A 11 10.703 8.229 1.624 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.602 7.592 2.689 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.335 9.417 1.514 1.00 0.00 O ATOM 0 H GLU A 11 10.916 4.701 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 11 9.044 6.158 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.726 6.793 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.603 7.953 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.866 6.671 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.993 8.215 -0.078 1.00 0.00 H new ATOM 176 N GLU A 12 8.302 5.469 -2.222 1.00 0.00 N ATOM 177 CA GLU A 12 7.218 5.358 -3.193 1.00 0.00 C ATOM 178 C GLU A 12 6.107 4.449 -2.675 1.00 0.00 C ATOM 179 O GLU A 12 4.962 4.872 -2.511 1.00 0.00 O ATOM 180 CB GLU A 12 7.780 4.800 -4.499 1.00 0.00 C ATOM 181 CG GLU A 12 6.763 4.675 -5.616 1.00 0.00 C ATOM 182 CD GLU A 12 7.330 3.948 -6.815 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.088 2.731 -6.944 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.031 4.586 -7.626 1.00 0.00 O ATOM 0 H GLU A 12 9.219 5.228 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 12 6.791 6.347 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.593 5.444 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.211 3.818 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.885 4.142 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.431 5.668 -5.917 1.00 0.00 H new ATOM 191 N LEU A 13 6.466 3.201 -2.430 1.00 0.00 N ATOM 192 CA LEU A 13 5.546 2.210 -1.888 1.00 0.00 C ATOM 193 C LEU A 13 4.812 2.732 -0.658 1.00 0.00 C ATOM 194 O LEU A 13 3.590 2.679 -0.613 1.00 0.00 O ATOM 195 CB LEU A 13 6.294 0.924 -1.533 1.00 0.00 C ATOM 196 CG LEU A 13 6.955 0.206 -2.711 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.696 -1.028 -2.226 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.919 -0.173 -3.758 1.00 0.00 C ATOM 0 H LEU A 13 7.406 2.843 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 13 4.806 1.999 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.062 1.161 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.595 0.237 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 13 7.673 0.885 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.162 -1.530 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.465 -0.733 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.994 -1.708 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.409 -0.683 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.177 -0.836 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.427 0.727 -4.125 1.00 0.00 H new ATOM 210 N LEU A 14 5.555 3.255 0.321 1.00 0.00 N ATOM 211 CA LEU A 14 4.964 3.704 1.582 1.00 0.00 C ATOM 212 C LEU A 14 3.930 4.807 1.358 1.00 0.00 C ATOM 213 O LEU A 14 2.866 4.798 1.984 1.00 0.00 O ATOM 214 CB LEU A 14 6.050 4.183 2.554 1.00 0.00 C ATOM 215 CG LEU A 14 5.554 4.632 3.933 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.916 3.476 4.687 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.697 5.225 4.740 1.00 0.00 C ATOM 0 H LEU A 14 6.566 3.377 0.264 1.00 0.00 H new ATOM 0 HA LEU A 14 4.452 2.849 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.770 3.377 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.585 5.013 2.092 1.00 0.00 H new ATOM 0 HG LEU A 14 4.794 5.400 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.573 3.823 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.068 3.095 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.649 2.681 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.328 5.539 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.477 4.475 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.106 6.087 4.212 1.00 0.00 H new ATOM 229 N SER A 15 4.226 5.750 0.463 1.00 0.00 N ATOM 230 CA SER A 15 3.264 6.798 0.147 1.00 0.00 C ATOM 231 C SER A 15 2.039 6.205 -0.550 1.00 0.00 C ATOM 232 O SER A 15 0.930 6.734 -0.442 1.00 0.00 O ATOM 233 CB SER A 15 3.909 7.898 -0.705 1.00 0.00 C ATOM 234 OG SER A 15 4.535 7.374 -1.864 1.00 0.00 O ATOM 0 H SER A 15 5.108 5.808 -0.046 1.00 0.00 H new ATOM 0 HA SER A 15 2.936 7.256 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.149 8.621 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.645 8.435 -0.107 1.00 0.00 H new ATOM 0 HG SER A 15 4.274 6.437 -1.982 1.00 0.00 H new ATOM 240 N LYS A 16 2.242 5.093 -1.250 1.00 0.00 N ATOM 241 CA LYS A 16 1.138 4.381 -1.871 1.00 0.00 C ATOM 242 C LYS A 16 0.360 3.589 -0.817 1.00 0.00 C ATOM 243 O LYS A 16 -0.870 3.546 -0.864 1.00 0.00 O ATOM 244 CB LYS A 16 1.639 3.452 -2.989 1.00 0.00 C ATOM 245 CG LYS A 16 0.544 2.604 -3.628 1.00 0.00 C ATOM 246 CD LYS A 16 1.089 1.726 -4.749 1.00 0.00 C ATOM 247 CE LYS A 16 -0.017 0.933 -5.436 1.00 0.00 C ATOM 248 NZ LYS A 16 0.470 0.230 -6.649 1.00 0.00 N ATOM 0 H LYS A 16 3.158 4.669 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 16 0.468 5.113 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.115 4.055 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.405 2.792 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.080 1.976 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.236 3.255 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.599 2.349 -5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.831 1.038 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.429 0.205 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.829 1.607 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.175 -0.553 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.503 0.896 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.423 -0.147 -6.473 1.00 0.00 H new ATOM 262 N ASN A 17 1.075 2.967 0.131 1.00 0.00 N ATOM 263 CA ASN A 17 0.426 2.271 1.245 1.00 0.00 C ATOM 264 C ASN A 17 -0.555 3.204 1.930 1.00 0.00 C ATOM 265 O ASN A 17 -1.717 2.858 2.120 1.00 0.00 O ATOM 266 CB ASN A 17 1.437 1.772 2.296 1.00 0.00 C ATOM 267 CG ASN A 17 2.319 0.622 1.828 1.00 0.00 C ATOM 268 OD1 ASN A 17 3.399 0.844 1.301 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.888 -0.617 2.042 1.00 0.00 N ATOM 0 H ASN A 17 2.094 2.933 0.147 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.085 1.405 0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.075 2.605 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.891 1.456 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.463 -1.412 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.982 -0.773 2.484 1.00 0.00 H new ATOM 276 N TYR A 18 -0.069 4.392 2.282 1.00 0.00 N ATOM 277 CA TYR A 18 -0.879 5.408 2.932 1.00 0.00 C ATOM 278 C TYR A 18 -2.177 5.652 2.167 1.00 0.00 C ATOM 279 O TYR A 18 -3.263 5.641 2.746 1.00 0.00 O ATOM 280 CB TYR A 18 -0.080 6.702 3.018 1.00 0.00 C ATOM 281 CG TYR A 18 -0.391 7.519 4.238 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.342 7.346 5.400 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.412 8.457 4.236 1.00 0.00 C ATOM 284 CE1 TYR A 18 0.072 8.084 6.528 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.691 9.203 5.362 1.00 0.00 C ATOM 286 CZ TYR A 18 -0.946 9.014 6.507 1.00 0.00 C ATOM 287 OH TYR A 18 -1.222 9.756 7.635 1.00 0.00 O ATOM 0 H TYR A 18 0.898 4.673 2.123 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.139 5.060 3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.984 6.464 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.278 7.301 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.140 6.618 5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.997 8.606 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.654 7.936 7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.488 9.931 5.347 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.967 10.366 7.451 1.00 0.00 H new ATOM 297 N HIS A 19 -2.052 5.857 0.860 1.00 0.00 N ATOM 298 CA HIS A 19 -3.207 6.111 0.007 1.00 0.00 C ATOM 299 C HIS A 19 -4.171 4.927 0.032 1.00 0.00 C ATOM 300 O HIS A 19 -5.380 5.106 0.156 1.00 0.00 O ATOM 301 CB HIS A 19 -2.756 6.394 -1.431 1.00 0.00 C ATOM 302 CG HIS A 19 -3.885 6.652 -2.385 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.107 5.893 -3.513 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.856 7.596 -2.375 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.162 6.357 -4.155 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.635 7.390 -3.484 1.00 0.00 N ATOM 0 H HIS A 19 -1.159 5.852 0.367 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.728 6.987 0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.091 7.258 -1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.175 5.545 -1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.991 8.368 -1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.569 5.959 -5.073 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.449 7.945 -3.748 1.00 0.00 H new ATOM 315 N LEU A 20 -3.625 3.722 -0.074 1.00 0.00 N ATOM 316 CA LEU A 20 -4.441 2.515 -0.101 1.00 0.00 C ATOM 317 C LEU A 20 -5.166 2.318 1.225 1.00 0.00 C ATOM 318 O LEU A 20 -6.355 2.009 1.240 1.00 0.00 O ATOM 319 CB LEU A 20 -3.586 1.289 -0.423 1.00 0.00 C ATOM 320 CG LEU A 20 -2.817 1.356 -1.742 1.00 0.00 C ATOM 321 CD1 LEU A 20 -1.748 0.279 -1.785 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.769 1.213 -2.921 1.00 0.00 C ATOM 0 H LEU A 20 -2.621 3.555 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.187 2.634 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.872 1.142 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.232 0.411 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.330 2.329 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.209 0.339 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.051 0.425 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.216 -0.702 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.205 1.263 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.283 0.254 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.502 2.020 -2.897 1.00 0.00 H new ATOM 334 N GLU A 21 -4.456 2.518 2.338 1.00 0.00 N ATOM 335 CA GLU A 21 -5.054 2.364 3.663 1.00 0.00 C ATOM 336 C GLU A 21 -6.244 3.305 3.826 1.00 0.00 C ATOM 337 O GLU A 21 -7.258 2.944 4.429 1.00 0.00 O ATOM 338 CB GLU A 21 -4.036 2.642 4.780 1.00 0.00 C ATOM 339 CG GLU A 21 -2.797 1.760 4.738 1.00 0.00 C ATOM 340 CD GLU A 21 -1.907 1.932 5.952 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.075 1.167 6.928 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.030 2.819 5.933 1.00 0.00 O ATOM 0 H GLU A 21 -3.472 2.785 2.347 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.388 1.330 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.726 3.685 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.528 2.510 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.103 0.716 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.225 1.989 3.839 1.00 0.00 H new ATOM 349 N ASN A 22 -6.110 4.512 3.282 1.00 0.00 N ATOM 350 CA ASN A 22 -7.176 5.506 3.337 1.00 0.00 C ATOM 351 C ASN A 22 -8.394 5.038 2.554 1.00 0.00 C ATOM 352 O ASN A 22 -9.521 5.104 3.050 1.00 0.00 O ATOM 353 CB ASN A 22 -6.699 6.855 2.795 1.00 0.00 C ATOM 354 CG ASN A 22 -5.689 7.532 3.702 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.693 7.333 4.919 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.823 8.345 3.121 1.00 0.00 N ATOM 0 H ASN A 22 -5.270 4.825 2.796 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.456 5.630 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.255 6.709 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.559 7.512 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.126 8.834 3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.852 8.483 2.111 1.00 0.00 H new ATOM 363 N GLU A 23 -8.159 4.560 1.334 1.00 0.00 N ATOM 364 CA GLU A 23 -9.235 4.044 0.494 1.00 0.00 C ATOM 365 C GLU A 23 -9.954 2.904 1.203 1.00 0.00 C ATOM 366 O GLU A 23 -11.183 2.877 1.262 1.00 0.00 O ATOM 367 CB GLU A 23 -8.689 3.555 -0.851 1.00 0.00 C ATOM 368 CG GLU A 23 -7.968 4.626 -1.654 1.00 0.00 C ATOM 369 CD GLU A 23 -8.852 5.813 -1.971 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.538 6.929 -1.516 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.863 5.635 -2.674 1.00 0.00 O ATOM 0 H GLU A 23 -7.234 4.520 0.906 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.940 4.854 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.004 2.726 -0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.515 3.164 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.096 4.967 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.602 4.192 -2.584 1.00 0.00 H new ATOM 378 N VAL A 24 -9.171 1.979 1.759 1.00 0.00 N ATOM 379 CA VAL A 24 -9.712 0.846 2.501 1.00 0.00 C ATOM 380 C VAL A 24 -10.642 1.329 3.618 1.00 0.00 C ATOM 381 O VAL A 24 -11.778 0.874 3.738 1.00 0.00 O ATOM 382 CB VAL A 24 -8.591 -0.017 3.128 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.176 -1.131 3.983 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.693 -0.604 2.053 1.00 0.00 C ATOM 0 H VAL A 24 -8.152 1.995 1.707 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.268 0.237 1.788 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.992 0.633 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.368 -1.723 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.774 -0.698 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.806 -1.771 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.913 -1.206 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.285 -1.230 1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.235 0.203 1.481 1.00 0.00 H new ATOM 394 N ALA A 25 -10.144 2.268 4.419 1.00 0.00 N ATOM 395 CA ALA A 25 -10.877 2.780 5.577 1.00 0.00 C ATOM 396 C ALA A 25 -12.198 3.443 5.185 1.00 0.00 C ATOM 397 O ALA A 25 -13.239 3.169 5.791 1.00 0.00 O ATOM 398 CB ALA A 25 -10.011 3.760 6.350 1.00 0.00 C ATOM 0 H ALA A 25 -9.227 2.694 4.286 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.120 1.926 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.565 4.136 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.108 3.255 6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.738 4.593 5.703 1.00 0.00 H new ATOM 404 N ARG A 26 -12.154 4.320 4.187 1.00 0.00 N ATOM 405 CA ARG A 26 -13.350 5.028 3.736 1.00 0.00 C ATOM 406 C ARG A 26 -14.389 4.047 3.223 1.00 0.00 C ATOM 407 O ARG A 26 -15.556 4.088 3.624 1.00 0.00 O ATOM 408 CB ARG A 26 -13.005 6.019 2.627 1.00 0.00 C ATOM 409 CG ARG A 26 -12.009 7.090 3.030 1.00 0.00 C ATOM 410 CD ARG A 26 -12.586 8.059 4.058 1.00 0.00 C ATOM 411 NE ARG A 26 -12.513 7.543 5.426 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.390 7.838 6.389 1.00 0.00 C ATOM 413 NH1 ARG A 26 -14.441 8.607 6.128 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.208 7.369 7.617 1.00 0.00 N ATOM 0 H ARG A 26 -11.305 4.558 3.675 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.756 5.572 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.603 5.468 1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.922 6.502 2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.117 6.617 3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.698 7.645 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.047 9.005 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.626 8.269 3.809 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.742 6.917 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.582 8.976 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.107 8.829 6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.399 6.784 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.877 7.594 8.353 1.00 0.00 H new ATOM 428 N LEU A 27 -13.949 3.164 2.336 1.00 0.00 N ATOM 429 CA LEU A 27 -14.831 2.157 1.750 1.00 0.00 C ATOM 430 C LEU A 27 -15.400 1.222 2.819 1.00 0.00 C ATOM 431 O LEU A 27 -16.517 0.721 2.685 1.00 0.00 O ATOM 432 CB LEU A 27 -14.083 1.341 0.693 1.00 0.00 C ATOM 433 CG LEU A 27 -13.581 2.134 -0.515 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.742 1.250 -1.420 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.747 2.728 -1.291 1.00 0.00 C ATOM 0 H LEU A 27 -12.985 3.123 2.005 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.662 2.682 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.230 0.857 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.741 0.548 0.338 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.958 2.951 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.393 1.831 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.884 0.871 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.345 0.413 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.368 3.288 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.397 1.926 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.313 3.396 -0.642 1.00 0.00 H new ATOM 447 N LYS A 28 -14.641 1.016 3.891 1.00 0.00 N ATOM 448 CA LYS A 28 -15.042 0.112 4.959 1.00 0.00 C ATOM 449 C LYS A 28 -16.256 0.675 5.688 1.00 0.00 C ATOM 450 O LYS A 28 -17.222 -0.040 5.946 1.00 0.00 O ATOM 451 CB LYS A 28 -13.880 -0.094 5.935 1.00 0.00 C ATOM 452 CG LYS A 28 -14.110 -1.200 6.956 1.00 0.00 C ATOM 453 CD LYS A 28 -14.107 -2.583 6.313 1.00 0.00 C ATOM 454 CE LYS A 28 -12.724 -2.970 5.795 1.00 0.00 C ATOM 455 NZ LYS A 28 -11.709 -3.018 6.882 1.00 0.00 N ATOM 0 H LYS A 28 -13.739 1.467 4.042 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.310 -0.853 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.979 -0.322 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.695 0.841 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.334 -1.154 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.063 -1.036 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.441 -3.322 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.821 -2.601 5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.780 -3.944 5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.408 -2.253 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.870 -3.536 6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.437 -2.050 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.110 -3.503 7.710 1.00 0.00 H new ATOM 469 N LYS A 29 -16.196 1.963 6.022 1.00 0.00 N ATOM 470 CA LYS A 29 -17.335 2.656 6.612 1.00 0.00 C ATOM 471 C LYS A 29 -18.562 2.573 5.700 1.00 0.00 C ATOM 472 O LYS A 29 -19.675 2.323 6.167 1.00 0.00 O ATOM 473 CB LYS A 29 -16.970 4.124 6.884 1.00 0.00 C ATOM 474 CG LYS A 29 -18.160 5.013 7.221 1.00 0.00 C ATOM 475 CD LYS A 29 -17.730 6.444 7.490 1.00 0.00 C ATOM 476 CE LYS A 29 -18.927 7.339 7.777 1.00 0.00 C ATOM 477 NZ LYS A 29 -19.734 6.840 8.922 1.00 0.00 N ATOM 0 H LYS A 29 -15.369 2.546 5.893 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.584 2.169 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.258 4.162 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.465 4.529 6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.873 4.996 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.675 4.617 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.045 6.466 8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.184 6.829 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.581 8.350 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -19.556 7.399 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.400 7.579 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.264 5.994 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -19.103 6.598 9.712 1.00 0.00 H new ATOM 491 N LEU A 30 -18.345 2.765 4.402 1.00 0.00 N ATOM 492 CA LEU A 30 -19.437 2.763 3.431 1.00 0.00 C ATOM 493 C LEU A 30 -20.138 1.405 3.379 1.00 0.00 C ATOM 494 O LEU A 30 -21.363 1.333 3.453 1.00 0.00 O ATOM 495 CB LEU A 30 -18.918 3.141 2.041 1.00 0.00 C ATOM 496 CG LEU A 30 -18.297 4.536 1.936 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.794 4.791 0.524 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.304 5.602 2.340 1.00 0.00 C ATOM 0 H LEU A 30 -17.422 2.924 3.997 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.166 3.506 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.174 2.405 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.743 3.073 1.332 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.449 4.585 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.356 5.787 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.039 4.048 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.626 4.721 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.844 6.587 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.171 5.551 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.620 5.433 3.370 1.00 0.00 H new ATOM 510 N VAL A 31 -19.359 0.336 3.248 1.00 0.00 N ATOM 511 CA VAL A 31 -19.904 -1.021 3.240 1.00 0.00 C ATOM 512 C VAL A 31 -20.532 -1.386 4.593 1.00 0.00 C ATOM 513 O VAL A 31 -21.466 -2.185 4.651 1.00 0.00 O ATOM 514 CB VAL A 31 -18.810 -2.055 2.890 1.00 0.00 C ATOM 515 CG1 VAL A 31 -19.375 -3.468 2.865 1.00 0.00 C ATOM 516 CG2 VAL A 31 -18.166 -1.720 1.555 1.00 0.00 C ATOM 0 H VAL A 31 -18.345 0.382 3.146 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.681 -1.046 2.476 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.048 -2.010 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.582 -4.173 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.784 -3.714 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.164 -3.531 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.398 -2.459 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -18.925 -1.730 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.712 -0.730 1.608 1.00 0.00 H new ATOM 526 N GLY A 32 -20.028 -0.787 5.671 1.00 0.00 N ATOM 527 CA GLY A 32 -20.540 -1.081 6.998 1.00 0.00 C ATOM 528 C GLY A 32 -22.020 -0.778 7.135 1.00 0.00 C ATOM 529 O GLY A 32 -22.776 -1.582 7.686 1.00 0.00 O ATOM 0 H GLY A 32 -19.273 -0.102 5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.366 -2.133 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -19.985 -0.500 7.734 1.00 0.00 H new ATOM 533 N GLU A 33 -22.438 0.375 6.632 1.00 0.00 N ATOM 534 CA GLU A 33 -23.837 0.773 6.694 1.00 0.00 C ATOM 535 C GLU A 33 -24.302 1.267 5.329 1.00 0.00 C ATOM 536 O GLU A 33 -24.147 2.472 5.043 1.00 0.00 O ATOM 537 CB GLU A 33 -24.044 1.864 7.761 1.00 0.00 C ATOM 538 CG GLU A 33 -23.807 1.382 9.186 1.00 0.00 C ATOM 539 CD GLU A 33 -23.951 2.488 10.209 1.00 0.00 C ATOM 540 OE1 GLU A 33 -25.082 2.721 10.684 1.00 0.00 O ATOM 541 OE2 GLU A 33 -22.935 3.127 10.552 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.810 0.444 4.540 1.00 0.00 O ATOM 0 H GLU A 33 -21.827 1.052 6.176 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.433 -0.095 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.371 2.696 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.061 2.249 7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.513 0.585 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.807 0.954 9.259 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 19.990 3.138 7.753 1.00 0.00 N ATOM 551 CA GLY B 1 19.977 1.661 7.703 1.00 0.00 C ATOM 552 C GLY B 1 20.759 1.132 6.523 1.00 0.00 C ATOM 553 O GLY B 1 21.183 1.901 5.660 1.00 0.00 O ATOM 0 H1 GLY B 1 20.481 3.452 8.614 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.485 3.509 6.917 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.013 3.494 7.763 1.00 0.00 H new ATOM 0 HA2 GLY B 1 20.398 1.262 8.626 1.00 0.00 H new ATOM 0 HA3 GLY B 1 18.947 1.308 7.644 1.00 0.00 H new ATOM 559 N SER B 2 20.950 -0.177 6.480 1.00 0.00 N ATOM 560 CA SER B 2 21.713 -0.800 5.414 1.00 0.00 C ATOM 561 C SER B 2 20.847 -1.036 4.177 1.00 0.00 C ATOM 562 O SER B 2 19.642 -0.760 4.188 1.00 0.00 O ATOM 563 CB SER B 2 22.288 -2.129 5.902 1.00 0.00 C ATOM 564 OG SER B 2 21.254 -2.984 6.367 1.00 0.00 O ATOM 0 H SER B 2 20.585 -0.829 7.174 1.00 0.00 H new ATOM 0 HA SER B 2 22.524 -0.126 5.137 1.00 0.00 H new ATOM 0 HB2 SER B 2 22.831 -2.615 5.092 1.00 0.00 H new ATOM 0 HB3 SER B 2 23.005 -1.948 6.703 1.00 0.00 H new ATOM 0 HG SER B 2 21.642 -3.830 6.673 1.00 0.00 H new ATOM 570 N MET B 3 21.460 -1.549 3.120 1.00 0.00 N ATOM 571 CA MET B 3 20.729 -1.919 1.918 1.00 0.00 C ATOM 572 C MET B 3 19.745 -3.037 2.245 1.00 0.00 C ATOM 573 O MET B 3 18.595 -3.019 1.804 1.00 0.00 O ATOM 574 CB MET B 3 21.700 -2.368 0.821 1.00 0.00 C ATOM 575 CG MET B 3 21.015 -2.761 -0.479 1.00 0.00 C ATOM 576 SD MET B 3 22.170 -3.358 -1.730 1.00 0.00 S ATOM 577 CE MET B 3 23.170 -1.898 -2.009 1.00 0.00 C ATOM 0 H MET B 3 22.465 -1.719 3.071 1.00 0.00 H new ATOM 0 HA MET B 3 20.178 -1.052 1.553 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.405 -1.562 0.620 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.280 -3.215 1.186 1.00 0.00 H new ATOM 0 HG2 MET B 3 20.276 -3.536 -0.275 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.474 -1.901 -0.873 1.00 0.00 H new ATOM 0 HE1 MET B 3 23.647 -1.965 -2.987 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.537 -1.011 -1.974 1.00 0.00 H new ATOM 0 HE3 MET B 3 23.935 -1.828 -1.236 1.00 0.00 H new ATOM 587 N LYS B 4 20.207 -3.991 3.048 1.00 0.00 N ATOM 588 CA LYS B 4 19.379 -5.108 3.485 1.00 0.00 C ATOM 589 C LYS B 4 18.151 -4.613 4.244 1.00 0.00 C ATOM 590 O LYS B 4 17.046 -5.113 4.044 1.00 0.00 O ATOM 591 CB LYS B 4 20.195 -6.056 4.371 1.00 0.00 C ATOM 592 CG LYS B 4 19.387 -7.206 4.950 1.00 0.00 C ATOM 593 CD LYS B 4 18.870 -8.136 3.863 1.00 0.00 C ATOM 594 CE LYS B 4 17.943 -9.195 4.434 1.00 0.00 C ATOM 595 NZ LYS B 4 18.621 -10.035 5.458 1.00 0.00 N ATOM 0 H LYS B 4 21.160 -4.011 3.412 1.00 0.00 H new ATOM 0 HA LYS B 4 19.041 -5.647 2.600 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.021 -6.463 3.787 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.634 -5.485 5.189 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.006 -7.770 5.647 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.546 -6.809 5.519 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.340 -7.556 3.107 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.711 -8.617 3.364 1.00 0.00 H new ATOM 0 HE2 LYS B 4 17.072 -8.713 4.879 1.00 0.00 H new ATOM 0 HE3 LYS B 4 17.578 -9.831 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 18.001 -10.827 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.510 -10.407 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 18.826 -9.459 6.299 1.00 0.00 H new ATOM 609 N GLN B 5 18.354 -3.621 5.105 1.00 0.00 N ATOM 610 CA GLN B 5 17.263 -3.050 5.893 1.00 0.00 C ATOM 611 C GLN B 5 16.171 -2.506 4.974 1.00 0.00 C ATOM 612 O GLN B 5 14.980 -2.714 5.216 1.00 0.00 O ATOM 613 CB GLN B 5 17.807 -1.946 6.815 1.00 0.00 C ATOM 614 CG GLN B 5 16.796 -1.408 7.824 1.00 0.00 C ATOM 615 CD GLN B 5 15.874 -0.340 7.260 1.00 0.00 C ATOM 616 OE1 GLN B 5 16.380 0.472 6.343 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 14.717 -0.234 7.662 1.00 0.00 N flip ATOM 0 H GLN B 5 19.264 -3.194 5.276 1.00 0.00 H new ATOM 0 HA GLN B 5 16.823 -3.832 6.512 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.670 -2.335 7.356 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.163 -1.119 6.200 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.192 -2.236 8.196 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.333 -0.996 8.678 1.00 0.00 H new ATOM 0 HE21 GLN B 5 14.362 -0.878 8.369 1.00 0.00 H new ATOM 0 HE22 GLN B 5 14.112 0.497 7.288 1.00 0.00 H new ATOM 626 N LEU B 6 16.588 -1.830 3.911 1.00 0.00 N ATOM 627 CA LEU B 6 15.647 -1.282 2.940 1.00 0.00 C ATOM 628 C LEU B 6 15.022 -2.393 2.107 1.00 0.00 C ATOM 629 O LEU B 6 13.867 -2.293 1.696 1.00 0.00 O ATOM 630 CB LEU B 6 16.325 -0.263 2.017 1.00 0.00 C ATOM 631 CG LEU B 6 16.822 1.014 2.697 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.571 1.882 1.703 1.00 0.00 C ATOM 633 CD2 LEU B 6 15.657 1.789 3.294 1.00 0.00 C ATOM 0 H LEU B 6 17.569 -1.648 3.699 1.00 0.00 H new ATOM 0 HA LEU B 6 14.863 -0.772 3.500 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.171 -0.747 1.530 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.621 0.014 1.232 1.00 0.00 H new ATOM 0 HG LEU B 6 17.501 0.733 3.502 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.919 2.787 2.200 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.426 1.331 1.311 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.906 2.152 0.882 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.030 2.694 3.773 1.00 0.00 H new ATOM 0 HD22 LEU B 6 14.957 2.059 2.504 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.149 1.170 4.033 1.00 0.00 H new ATOM 645 N GLU B 7 15.785 -3.453 1.866 1.00 0.00 N ATOM 646 CA GLU B 7 15.292 -4.582 1.098 1.00 0.00 C ATOM 647 C GLU B 7 14.175 -5.294 1.854 1.00 0.00 C ATOM 648 O GLU B 7 13.157 -5.656 1.272 1.00 0.00 O ATOM 649 CB GLU B 7 16.435 -5.552 0.770 1.00 0.00 C ATOM 650 CG GLU B 7 15.975 -6.868 0.157 1.00 0.00 C ATOM 651 CD GLU B 7 17.131 -7.774 -0.202 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.499 -7.822 -1.394 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.680 -8.435 0.706 1.00 0.00 O ATOM 0 H GLU B 7 16.746 -3.551 2.193 1.00 0.00 H new ATOM 0 HA GLU B 7 14.884 -4.210 0.158 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.125 -5.064 0.082 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.991 -5.763 1.683 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.319 -7.382 0.859 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.387 -6.663 -0.737 1.00 0.00 H new ATOM 660 N ASP B 8 14.359 -5.478 3.158 1.00 0.00 N ATOM 661 CA ASP B 8 13.316 -6.072 3.991 1.00 0.00 C ATOM 662 C ASP B 8 12.057 -5.217 3.960 1.00 0.00 C ATOM 663 O ASP B 8 10.940 -5.728 4.043 1.00 0.00 O ATOM 664 CB ASP B 8 13.783 -6.229 5.441 1.00 0.00 C ATOM 665 CG ASP B 8 14.708 -7.411 5.646 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.302 -8.552 5.332 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.827 -7.213 6.157 1.00 0.00 O ATOM 0 H ASP B 8 15.212 -5.227 3.658 1.00 0.00 H new ATOM 0 HA ASP B 8 13.097 -7.059 3.585 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.294 -5.318 5.752 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.912 -6.342 6.086 1.00 0.00 H new ATOM 672 N LYS B 9 12.249 -3.916 3.822 1.00 0.00 N ATOM 673 CA LYS B 9 11.144 -2.971 3.821 1.00 0.00 C ATOM 674 C LYS B 9 10.428 -2.912 2.485 1.00 0.00 C ATOM 675 O LYS B 9 9.200 -2.912 2.442 1.00 0.00 O ATOM 676 CB LYS B 9 11.641 -1.583 4.153 1.00 0.00 C ATOM 677 CG LYS B 9 11.500 -1.199 5.616 1.00 0.00 C ATOM 678 CD LYS B 9 10.043 -1.193 6.061 1.00 0.00 C ATOM 679 CE LYS B 9 9.911 -0.858 7.540 1.00 0.00 C ATOM 680 NZ LYS B 9 8.490 -0.816 7.974 1.00 0.00 N ATOM 0 H LYS B 9 13.167 -3.487 3.708 1.00 0.00 H new ATOM 0 HA LYS B 9 10.440 -3.322 4.575 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.691 -1.509 3.870 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.096 -0.860 3.546 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.065 -1.899 6.232 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.933 -0.212 5.776 1.00 0.00 H new ATOM 0 HD2 LYS B 9 9.485 -0.466 5.471 1.00 0.00 H new ATOM 0 HD3 LYS B 9 9.599 -2.169 5.867 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.449 -1.600 8.130 1.00 0.00 H new ATOM 0 HE3 LYS B 9 10.379 0.106 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 8.422 -1.108 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 8.124 0.152 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 7.928 -1.463 7.385 1.00 0.00 H new ATOM 694 N VAL B 10 11.199 -2.844 1.401 1.00 0.00 N ATOM 695 CA VAL B 10 10.634 -2.790 0.054 1.00 0.00 C ATOM 696 C VAL B 10 9.786 -4.037 -0.151 1.00 0.00 C ATOM 697 O VAL B 10 8.820 -4.057 -0.913 1.00 0.00 O ATOM 698 CB VAL B 10 11.737 -2.690 -1.034 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.501 -3.995 -1.192 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.142 -2.253 -2.363 1.00 0.00 C ATOM 0 H VAL B 10 12.218 -2.825 1.430 1.00 0.00 H new ATOM 0 HA VAL B 10 10.023 -1.893 -0.043 1.00 0.00 H new ATOM 0 HB VAL B 10 12.450 -1.934 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL B 10 13.263 -3.880 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.978 -4.254 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.811 -4.788 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL B 10 11.932 -2.189 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL B 10 10.396 -2.980 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.672 -1.277 -2.248 1.00 0.00 H new ATOM 710 N GLU B 11 10.154 -5.062 0.600 1.00 0.00 N ATOM 711 CA GLU B 11 9.419 -6.325 0.625 1.00 0.00 C ATOM 712 C GLU B 11 8.175 -6.224 1.511 1.00 0.00 C ATOM 713 O GLU B 11 7.057 -6.492 1.063 1.00 0.00 O ATOM 714 CB GLU B 11 10.322 -7.453 1.129 1.00 0.00 C ATOM 715 CG GLU B 11 11.379 -7.885 0.128 1.00 0.00 C ATOM 716 CD GLU B 11 10.788 -8.604 -1.064 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.640 -7.977 -2.132 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.470 -9.804 -0.934 1.00 0.00 O ATOM 0 H GLU B 11 10.970 -5.046 1.211 1.00 0.00 H new ATOM 0 HA GLU B 11 9.099 -6.546 -0.393 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.814 -7.130 2.046 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.704 -8.314 1.385 1.00 0.00 H new ATOM 0 HG2 GLU B 11 11.929 -7.009 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU B 11 12.098 -8.538 0.623 1.00 0.00 H new ATOM 725 N GLU B 12 8.383 -5.829 2.768 1.00 0.00 N ATOM 726 CA GLU B 12 7.309 -5.721 3.751 1.00 0.00 C ATOM 727 C GLU B 12 6.182 -4.831 3.236 1.00 0.00 C ATOM 728 O GLU B 12 5.038 -5.271 3.091 1.00 0.00 O ATOM 729 CB GLU B 12 7.878 -5.143 5.045 1.00 0.00 C ATOM 730 CG GLU B 12 6.875 -5.024 6.171 1.00 0.00 C ATOM 731 CD GLU B 12 7.448 -4.282 7.355 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.212 -3.065 7.464 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.157 -4.906 8.176 1.00 0.00 O ATOM 0 H GLU B 12 9.302 -5.575 3.131 1.00 0.00 H new ATOM 0 HA GLU B 12 6.896 -6.713 3.934 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.705 -5.771 5.376 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.291 -4.156 4.837 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.986 -4.506 5.813 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.559 -6.019 6.484 1.00 0.00 H new ATOM 740 N LEU B 13 6.523 -3.581 2.972 1.00 0.00 N ATOM 741 CA LEU B 13 5.586 -2.607 2.427 1.00 0.00 C ATOM 742 C LEU B 13 4.847 -3.150 1.211 1.00 0.00 C ATOM 743 O LEU B 13 3.623 -3.116 1.178 1.00 0.00 O ATOM 744 CB LEU B 13 6.316 -1.315 2.051 1.00 0.00 C ATOM 745 CG LEU B 13 6.980 -0.577 3.214 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.704 0.659 2.711 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.951 -0.198 4.267 1.00 0.00 C ATOM 0 H LEU B 13 7.460 -3.210 3.129 1.00 0.00 H new ATOM 0 HA LEU B 13 4.850 -2.397 3.204 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.079 -1.551 1.309 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.605 -0.641 1.573 1.00 0.00 H new ATOM 0 HG LEU B 13 7.709 -1.245 3.673 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.172 1.174 3.550 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.470 0.365 1.993 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.991 1.327 2.228 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.444 0.326 5.086 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.197 0.452 3.822 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.473 -1.100 4.649 1.00 0.00 H new ATOM 759 N LEU B 14 5.585 -3.673 0.230 1.00 0.00 N ATOM 760 CA LEU B 14 4.986 -4.142 -1.020 1.00 0.00 C ATOM 761 C LEU B 14 3.968 -5.255 -0.774 1.00 0.00 C ATOM 762 O LEU B 14 2.901 -5.268 -1.388 1.00 0.00 O ATOM 763 CB LEU B 14 6.069 -4.616 -1.998 1.00 0.00 C ATOM 764 CG LEU B 14 5.564 -5.087 -3.366 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.908 -3.944 -4.126 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.706 -5.677 -4.178 1.00 0.00 C ATOM 0 H LEU B 14 6.598 -3.782 0.277 1.00 0.00 H new ATOM 0 HA LEU B 14 4.458 -3.299 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.776 -3.801 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.621 -5.433 -1.533 1.00 0.00 H new ATOM 0 HG LEU B 14 4.814 -5.861 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.558 -4.304 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.062 -3.564 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.633 -3.144 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.331 -6.007 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.476 -4.920 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.130 -6.528 -3.644 1.00 0.00 H new ATOM 778 N SER B 15 4.284 -6.186 0.124 1.00 0.00 N ATOM 779 CA SER B 15 3.338 -7.239 0.461 1.00 0.00 C ATOM 780 C SER B 15 2.115 -6.654 1.168 1.00 0.00 C ATOM 781 O SER B 15 1.012 -7.201 1.082 1.00 0.00 O ATOM 782 CB SER B 15 4.003 -8.325 1.314 1.00 0.00 C ATOM 783 OG SER B 15 4.647 -7.778 2.454 1.00 0.00 O ATOM 0 H SER B 15 5.173 -6.231 0.622 1.00 0.00 H new ATOM 0 HA SER B 15 3.004 -7.707 -0.465 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.252 -9.048 1.633 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.731 -8.867 0.710 1.00 0.00 H new ATOM 0 HG SER B 15 4.378 -6.842 2.564 1.00 0.00 H new ATOM 789 N LYS B 16 2.310 -5.531 1.853 1.00 0.00 N ATOM 790 CA LYS B 16 1.203 -4.826 2.478 1.00 0.00 C ATOM 791 C LYS B 16 0.404 -4.054 1.426 1.00 0.00 C ATOM 792 O LYS B 16 -0.825 -4.026 1.482 1.00 0.00 O ATOM 793 CB LYS B 16 1.704 -3.878 3.582 1.00 0.00 C ATOM 794 CG LYS B 16 0.606 -3.036 4.225 1.00 0.00 C ATOM 795 CD LYS B 16 1.153 -2.140 5.332 1.00 0.00 C ATOM 796 CE LYS B 16 0.043 -1.351 6.022 1.00 0.00 C ATOM 797 NZ LYS B 16 0.532 -0.630 7.227 1.00 0.00 N ATOM 0 H LYS B 16 3.222 -5.094 1.987 1.00 0.00 H new ATOM 0 HA LYS B 16 0.548 -5.563 2.942 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.196 -4.467 4.356 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.458 -3.213 3.160 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.127 -2.421 3.463 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.162 -3.692 4.635 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.677 -2.750 6.068 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.884 -1.449 4.912 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.382 -0.634 5.319 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.760 -2.031 6.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.146 0.116 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.627 -1.299 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.457 -0.201 7.023 1.00 0.00 H new ATOM 811 N ASN B 17 1.103 -3.433 0.464 1.00 0.00 N ATOM 812 CA ASN B 17 0.434 -2.756 -0.650 1.00 0.00 C ATOM 813 C ASN B 17 -0.544 -3.705 -1.317 1.00 0.00 C ATOM 814 O ASN B 17 -1.713 -3.374 -1.498 1.00 0.00 O ATOM 815 CB ASN B 17 1.429 -2.254 -1.717 1.00 0.00 C ATOM 816 CG ASN B 17 2.302 -1.091 -1.269 1.00 0.00 C ATOM 817 OD1 ASN B 17 3.391 -1.295 -0.752 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.856 0.143 -1.492 1.00 0.00 N ATOM 0 H ASN B 17 2.122 -3.387 0.437 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.083 -1.893 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.073 -3.082 -2.013 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.870 -1.952 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.427 0.947 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.943 0.285 -1.925 1.00 0.00 H new ATOM 825 N TYR B 18 -0.049 -4.889 -1.664 1.00 0.00 N ATOM 826 CA TYR B 18 -0.853 -5.920 -2.296 1.00 0.00 C ATOM 827 C TYR B 18 -2.141 -6.174 -1.516 1.00 0.00 C ATOM 828 O TYR B 18 -3.232 -6.184 -2.090 1.00 0.00 O ATOM 829 CB TYR B 18 -0.040 -7.208 -2.376 1.00 0.00 C ATOM 830 CG TYR B 18 -0.356 -8.041 -3.585 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.364 -7.874 -4.753 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.366 -8.987 -3.565 1.00 0.00 C ATOM 833 CE1 TYR B 18 0.091 -8.623 -5.873 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.650 -9.745 -4.681 1.00 0.00 C ATOM 835 CZ TYR B 18 -0.918 -9.561 -5.833 1.00 0.00 C ATOM 836 OH TYR B 18 -1.199 -10.315 -6.949 1.00 0.00 O ATOM 0 H TYR B 18 0.923 -5.157 -1.513 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.125 -5.583 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.021 -6.959 -2.383 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.222 -7.800 -1.479 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.156 -7.141 -4.786 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.940 -9.134 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR B 18 0.663 -8.477 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.442 -10.479 -4.652 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.937 -10.929 -6.752 1.00 0.00 H new ATOM 846 N HIS B 19 -2.001 -6.364 -0.208 1.00 0.00 N ATOM 847 CA HIS B 19 -3.143 -6.620 0.662 1.00 0.00 C ATOM 848 C HIS B 19 -4.119 -5.449 0.636 1.00 0.00 C ATOM 849 O HIS B 19 -5.328 -5.644 0.526 1.00 0.00 O ATOM 850 CB HIS B 19 -2.671 -6.884 2.099 1.00 0.00 C ATOM 851 CG HIS B 19 -3.789 -7.146 3.069 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.010 -6.376 4.191 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.744 -8.105 3.083 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.051 -6.849 4.850 1.00 0.00 C ATOM 855 NE2 HIS B 19 -5.517 -7.897 4.197 1.00 0.00 N ATOM 0 H HIS B 19 -1.103 -6.345 0.275 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.660 -7.506 0.292 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.996 -7.740 2.098 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.096 -6.025 2.446 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.874 -8.889 2.352 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.453 -6.447 5.768 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -6.321 -8.460 4.475 1.00 0.00 H new ATOM 864 N LEU B 20 -3.586 -4.236 0.722 1.00 0.00 N ATOM 865 CA LEU B 20 -4.416 -3.039 0.746 1.00 0.00 C ATOM 866 C LEU B 20 -5.158 -2.863 -0.572 1.00 0.00 C ATOM 867 O LEU B 20 -6.350 -2.570 -0.576 1.00 0.00 O ATOM 868 CB LEU B 20 -3.568 -1.802 1.044 1.00 0.00 C ATOM 869 CG LEU B 20 -2.784 -1.849 2.355 1.00 0.00 C ATOM 870 CD1 LEU B 20 -1.725 -0.761 2.377 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.725 -1.703 3.540 1.00 0.00 C ATOM 0 H LEU B 20 -2.583 -4.056 0.776 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.153 -3.158 1.541 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.865 -1.658 0.224 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.221 -0.929 1.061 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.286 -2.816 2.428 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.175 -0.807 3.317 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.035 -0.908 1.546 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.203 0.214 2.284 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.152 -1.738 4.466 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.249 -0.749 3.474 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.450 -2.516 3.531 1.00 0.00 H new ATOM 883 N GLU B 21 -4.455 -3.065 -1.689 1.00 0.00 N ATOM 884 CA GLU B 21 -5.067 -2.929 -3.010 1.00 0.00 C ATOM 885 C GLU B 21 -6.249 -3.888 -3.150 1.00 0.00 C ATOM 886 O GLU B 21 -7.276 -3.543 -3.738 1.00 0.00 O ATOM 887 CB GLU B 21 -4.055 -3.207 -4.133 1.00 0.00 C ATOM 888 CG GLU B 21 -2.825 -2.312 -4.115 1.00 0.00 C ATOM 889 CD GLU B 21 -1.955 -2.490 -5.343 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.147 -1.741 -6.323 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.073 -3.375 -5.340 1.00 0.00 O ATOM 0 H GLU B 21 -3.468 -3.322 -1.704 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.414 -1.900 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.733 -4.246 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.558 -3.092 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.139 -1.271 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.237 -2.528 -3.223 1.00 0.00 H new ATOM 898 N ASN B 22 -6.093 -5.088 -2.597 1.00 0.00 N ATOM 899 CA ASN B 22 -7.149 -6.096 -2.635 1.00 0.00 C ATOM 900 C ASN B 22 -8.364 -5.633 -1.845 1.00 0.00 C ATOM 901 O ASN B 22 -9.495 -5.717 -2.328 1.00 0.00 O ATOM 902 CB ASN B 22 -6.653 -7.432 -2.079 1.00 0.00 C ATOM 903 CG ASN B 22 -5.647 -8.113 -2.987 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.664 -7.928 -4.204 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.767 -8.909 -2.403 1.00 0.00 N ATOM 0 H ASN B 22 -5.244 -5.386 -2.117 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.434 -6.235 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.199 -7.267 -1.102 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.505 -8.095 -1.927 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.069 -9.396 -2.965 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.787 -9.035 -1.391 1.00 0.00 H new ATOM 912 N GLU B 23 -8.124 -5.140 -0.634 1.00 0.00 N ATOM 913 CA GLU B 23 -9.195 -4.628 0.213 1.00 0.00 C ATOM 914 C GLU B 23 -9.935 -3.501 -0.496 1.00 0.00 C ATOM 915 O GLU B 23 -11.166 -3.486 -0.538 1.00 0.00 O ATOM 916 CB GLU B 23 -8.638 -4.124 1.546 1.00 0.00 C ATOM 917 CG GLU B 23 -7.902 -5.183 2.351 1.00 0.00 C ATOM 918 CD GLU B 23 -8.775 -6.374 2.684 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.465 -7.494 2.226 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.779 -6.197 3.402 1.00 0.00 O ATOM 0 H GLU B 23 -7.195 -5.084 -0.217 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.891 -5.443 0.412 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.960 -3.293 1.353 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.459 -3.732 2.146 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.032 -5.521 1.789 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.532 -4.739 3.275 1.00 0.00 H new ATOM 927 N VAL B 24 -9.168 -2.574 -1.071 1.00 0.00 N ATOM 928 CA VAL B 24 -9.731 -1.454 -1.817 1.00 0.00 C ATOM 929 C VAL B 24 -10.668 -1.957 -2.918 1.00 0.00 C ATOM 930 O VAL B 24 -11.814 -1.521 -3.025 1.00 0.00 O ATOM 931 CB VAL B 24 -8.626 -0.585 -2.465 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.233 0.514 -3.325 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.724 0.020 -1.403 1.00 0.00 C ATOM 0 H VAL B 24 -8.149 -2.580 -1.032 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.286 -0.845 -1.104 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.025 -1.232 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.436 1.111 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.835 0.066 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.863 1.153 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.955 0.627 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.317 0.646 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.252 -0.777 -0.829 1.00 0.00 H new ATOM 943 N ALA B 25 -10.167 -2.896 -3.719 1.00 0.00 N ATOM 944 CA ALA B 25 -10.905 -3.427 -4.863 1.00 0.00 C ATOM 945 C ALA B 25 -12.213 -4.103 -4.451 1.00 0.00 C ATOM 946 O ALA B 25 -13.263 -3.848 -5.047 1.00 0.00 O ATOM 947 CB ALA B 25 -10.035 -4.403 -5.636 1.00 0.00 C ATOM 0 H ALA B 25 -9.242 -3.308 -3.594 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.166 -2.582 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.594 -4.793 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.142 -3.890 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.744 -5.227 -4.984 1.00 0.00 H new ATOM 953 N ARG B 26 -12.149 -4.970 -3.445 1.00 0.00 N ATOM 954 CA ARG B 26 -13.332 -5.687 -2.975 1.00 0.00 C ATOM 955 C ARG B 26 -14.375 -4.710 -2.463 1.00 0.00 C ATOM 956 O ARG B 26 -15.540 -4.753 -2.863 1.00 0.00 O ATOM 957 CB ARG B 26 -12.965 -6.663 -1.857 1.00 0.00 C ATOM 958 CG ARG B 26 -11.961 -7.729 -2.258 1.00 0.00 C ATOM 959 CD ARG B 26 -12.536 -8.717 -3.267 1.00 0.00 C ATOM 960 NE ARG B 26 -12.483 -8.215 -4.641 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.364 -8.535 -5.591 1.00 0.00 C ATOM 962 NH1 ARG B 26 -14.401 -9.317 -5.309 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.205 -8.076 -6.828 1.00 0.00 N ATOM 0 H ARG B 26 -11.292 -5.194 -2.939 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.741 -6.246 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.561 -6.098 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.874 -7.151 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.078 -7.252 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.634 -8.269 -1.370 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.985 -9.655 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.571 -8.938 -3.005 1.00 0.00 H new ATOM 0 HE ARG B 26 -11.724 -7.580 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -14.527 -9.676 -4.363 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -15.071 -9.558 -6.039 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -12.409 -7.479 -7.052 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.879 -8.321 -7.553 1.00 0.00 H new ATOM 977 N LEU B 27 -13.938 -3.819 -1.585 1.00 0.00 N ATOM 978 CA LEU B 27 -14.825 -2.814 -1.001 1.00 0.00 C ATOM 979 C LEU B 27 -15.416 -1.898 -2.075 1.00 0.00 C ATOM 980 O LEU B 27 -16.537 -1.406 -1.934 1.00 0.00 O ATOM 981 CB LEU B 27 -14.076 -1.981 0.042 1.00 0.00 C ATOM 982 CG LEU B 27 -13.552 -2.757 1.251 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.713 -1.857 2.139 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.703 -3.359 2.044 1.00 0.00 C ATOM 0 H LEU B 27 -12.973 -3.769 -1.258 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.646 -3.341 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.234 -1.491 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.740 -1.193 0.398 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.923 -3.569 0.887 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.349 -2.427 2.994 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.865 -1.473 1.571 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.321 -1.024 2.491 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.308 -3.907 2.900 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.359 -2.562 2.395 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.267 -4.040 1.407 1.00 0.00 H new ATOM 996 N LYS B 28 -14.670 -1.698 -3.155 1.00 0.00 N ATOM 997 CA LYS B 28 -15.090 -0.810 -4.228 1.00 0.00 C ATOM 998 C LYS B 28 -16.305 -1.391 -4.941 1.00 0.00 C ATOM 999 O LYS B 28 -17.279 -0.682 -5.201 1.00 0.00 O ATOM 1000 CB LYS B 28 -13.942 -0.602 -5.218 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.197 0.495 -6.243 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.205 1.882 -5.609 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.819 2.295 -5.119 1.00 0.00 C ATOM 1004 NZ LYS B 28 -11.827 2.337 -6.225 1.00 0.00 N ATOM 0 H LYS B 28 -13.765 -2.143 -3.310 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.363 0.156 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.036 -0.362 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.755 -1.539 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.429 0.454 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.153 0.316 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.565 2.611 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.904 1.894 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.879 3.276 -4.648 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.481 1.595 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.995 2.885 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.535 1.368 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.255 2.787 -7.059 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.237 -2.683 -5.260 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.375 -3.393 -5.829 1.00 0.00 C ATOM 1020 C LYS B 29 -18.593 -3.315 -4.902 1.00 0.00 C ATOM 1021 O LYS B 29 -19.716 -3.085 -5.356 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.999 -4.858 -6.093 1.00 0.00 C ATOM 1023 CG LYS B 29 -18.183 -5.763 -6.411 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.738 -7.192 -6.667 1.00 0.00 C ATOM 1025 CE LYS B 29 -18.924 -8.103 -6.932 1.00 0.00 C ATOM 1026 NZ LYS B 29 -19.745 -7.633 -8.081 1.00 0.00 N ATOM 0 H LYS B 29 -15.404 -3.257 -5.133 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.640 -2.916 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.295 -4.896 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.481 -5.251 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.890 -5.744 -5.582 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.709 -5.382 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.061 -7.216 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.179 -7.560 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.567 -9.113 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.547 -8.155 -6.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.404 -8.385 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.283 -6.788 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.122 -7.397 -8.879 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.361 -3.491 -3.607 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.444 -3.491 -2.626 1.00 0.00 C ATOM 1042 C LEU B 30 -20.158 -2.141 -2.582 1.00 0.00 C ATOM 1043 O LEU B 30 -21.384 -2.081 -2.655 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.906 -3.849 -1.239 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.269 -5.237 -1.128 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.750 -5.471 0.280 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.266 -6.319 -1.514 1.00 0.00 C ATOM 0 H LEU B 30 -17.433 -3.636 -3.210 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.170 -4.245 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.166 -3.103 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.723 -3.783 -0.521 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.428 -5.284 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.300 -6.462 0.342 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.001 -4.717 0.522 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.576 -5.402 0.988 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.793 -7.297 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.128 -6.273 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.592 -6.163 -2.542 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.389 -1.062 -2.470 1.00 0.00 N ATOM 1060 CA VAL B 31 -19.950 0.288 -2.469 1.00 0.00 C ATOM 1061 C VAL B 31 -20.595 0.636 -3.819 1.00 0.00 C ATOM 1062 O VAL B 31 -21.537 1.432 -3.876 1.00 0.00 O ATOM 1063 CB VAL B 31 -18.862 1.338 -2.140 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -19.440 2.744 -2.123 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -18.203 1.022 -0.809 1.00 0.00 C ATOM 0 H VAL B 31 -18.374 -1.095 -2.379 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.721 0.309 -1.698 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.107 1.294 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -18.651 3.459 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -19.861 2.976 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -20.222 2.807 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.441 1.771 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -18.954 1.032 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -17.740 0.036 -0.857 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.096 0.034 -4.899 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.629 0.307 -6.223 1.00 0.00 C ATOM 1077 C GLY B 32 -22.107 -0.007 -6.339 1.00 0.00 C ATOM 1078 O GLY B 32 -22.880 0.793 -6.872 1.00 0.00 O ATOM 0 H GLY B 32 -19.330 -0.639 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.465 1.357 -6.466 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.079 -0.280 -6.959 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.504 -1.164 -5.829 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.898 -1.580 -5.871 1.00 0.00 C ATOM 1084 C GLU B 33 -24.330 -2.090 -4.505 1.00 0.00 C ATOM 1085 O GLU B 33 -24.135 -3.293 -4.226 1.00 0.00 O ATOM 1086 CB GLU B 33 -24.105 -2.674 -6.931 1.00 0.00 C ATOM 1087 CG GLU B 33 -23.890 -2.201 -8.359 1.00 0.00 C ATOM 1088 CD GLU B 33 -24.039 -3.318 -9.366 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -25.179 -3.583 -9.805 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -23.019 -3.933 -9.735 1.00 0.00 O ATOM 1091 OXT GLU B 33 -24.849 -1.284 -3.705 1.00 0.00 O ATOM 0 H GLU B 33 -21.878 -1.833 -5.380 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.509 -0.718 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -23.422 -3.498 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -25.117 -3.068 -6.838 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.605 -1.411 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -22.895 -1.766 -8.448 1.00 0.00 H new TER 1098 GLU B 33