USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 40 ASN : amide:sc= 0.568 K(o=1.2,f=-0.022) USER MOD Set 1.2: B 41 GLN : amide:sc= 0.607 K(o=1.2,f=-0.022) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -147:sc= 1.04 (180deg=0) USER MOD Set 2.2: B 39 GLN : amide:sc= 1.21 K(o=2.2,f=-2.1) USER MOD Set 3.1: B 16 ASN : amide:sc= 0.842 K(o=1.5,f=0.52) USER MOD Set 3.2: B 18 LYS NZ :NH3+ 174:sc= 0.669 (180deg=0.623) USER MOD Set 4.1: A 27 SER OG : rot -117:sc= 0.389 USER MOD Set 4.2: B 6 CYS SG : rot 167:sc= 0.453 USER MOD Set 4.3: B 9 THR OG1 : rot -55:sc= 1.02 USER MOD Set 5.1: A 6 CYS SG : rot 171:sc= -0.229 USER MOD Set 5.2: A 9 THR OG1 : rot -47:sc= 0.645 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc=-0.000227 K(o=-0.00023,f=-0.8) USER MOD Single : A 13 SER OG : rot 180:sc=0.000645 USER MOD Single : A 16 ASN : amide:sc= 0.785 K(o=0.79,f=-0.13) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.715 K(o=0.72,f=-0.26) USER MOD Single : A 40 ASN : amide:sc= -0.282 K(o=-0.28,f=-0.82) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0.591 K(o=0.59,f=-0.016) USER MOD Single : B 13 SER OG : rot -120:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot 180:sc= 0.103 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 GLN : amide:sc= 0.475 X(o=0.47,f=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 45 N MET A 4 1.138 16.851 -8.908 1.00 0.00 N ATOM 46 CA MET A 4 0.599 15.657 -8.254 1.00 0.00 C ATOM 47 C MET A 4 1.322 15.408 -6.925 1.00 0.00 C ATOM 48 O MET A 4 2.375 14.775 -6.844 1.00 0.00 O ATOM 49 CB MET A 4 0.687 14.474 -9.221 1.00 0.00 C ATOM 50 CG MET A 4 -0.639 14.262 -9.959 1.00 0.00 C ATOM 51 SD MET A 4 -1.084 15.577 -11.133 1.00 0.00 S ATOM 52 CE MET A 4 -2.666 14.920 -11.729 1.00 0.00 C ATOM 0 HA MET A 4 -0.453 15.798 -8.006 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.484 14.650 -9.943 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.949 13.570 -8.671 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.590 13.316 -10.498 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.437 14.168 -9.222 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.090 15.603 -12.465 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.505 13.945 -12.189 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.356 14.816 -10.891 1.00 0.00 H new ATOM 62 N THR A 5 0.724 15.958 -5.875 1.00 0.00 N ATOM 63 CA THR A 5 1.250 15.997 -4.507 1.00 0.00 C ATOM 64 C THR A 5 0.577 14.967 -3.616 1.00 0.00 C ATOM 65 O THR A 5 -0.591 14.616 -3.807 1.00 0.00 O ATOM 66 CB THR A 5 1.129 17.404 -3.899 1.00 0.00 C ATOM 67 OG1 THR A 5 1.864 17.458 -2.701 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.314 17.827 -3.582 1.00 0.00 C ATOM 0 H THR A 5 -0.186 16.412 -5.954 1.00 0.00 H new ATOM 0 HA THR A 5 2.309 15.744 -4.566 1.00 0.00 H new ATOM 0 HB THR A 5 1.514 18.089 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.790 18.354 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.314 18.831 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.904 17.821 -4.498 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.749 17.129 -2.866 1.00 0.00 H new ATOM 76 N CYS A 6 1.306 14.513 -2.605 1.00 0.00 N ATOM 77 CA CYS A 6 0.784 13.711 -1.524 1.00 0.00 C ATOM 78 C CYS A 6 -0.272 14.475 -0.733 1.00 0.00 C ATOM 79 O CYS A 6 0.036 15.461 -0.072 1.00 0.00 O ATOM 80 CB CYS A 6 1.942 13.254 -0.643 1.00 0.00 C ATOM 81 SG CYS A 6 1.297 12.060 0.554 1.00 0.00 S ATOM 0 H CYS A 6 2.305 14.702 -2.519 1.00 0.00 H new ATOM 0 HA CYS A 6 0.286 12.830 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.726 12.800 -1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.389 14.105 -0.129 1.00 0.00 H new ATOM 0 HG CYS A 6 2.286 11.508 1.192 1.00 0.00 H new ATOM 87 N GLN A 7 -1.511 13.992 -0.733 1.00 0.00 N ATOM 88 CA GLN A 7 -2.583 14.649 0.023 1.00 0.00 C ATOM 89 C GLN A 7 -2.569 14.281 1.529 1.00 0.00 C ATOM 90 O GLN A 7 -3.321 14.860 2.315 1.00 0.00 O ATOM 91 CB GLN A 7 -3.927 14.431 -0.688 1.00 0.00 C ATOM 92 CG GLN A 7 -3.944 14.814 -2.184 1.00 0.00 C ATOM 93 CD GLN A 7 -3.741 16.301 -2.483 1.00 0.00 C ATOM 94 OE1 GLN A 7 -3.720 17.167 -1.618 1.00 0.00 O ATOM 95 NE2 GLN A 7 -3.618 16.666 -3.742 1.00 0.00 N ATOM 0 H GLN A 7 -1.800 13.156 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.407 15.725 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.204 13.381 -0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.692 15.010 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -3.165 14.248 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.897 14.502 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.632 15.963 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -3.508 17.652 -3.979 1.00 0.00 H new ATOM 104 N VAL A 8 -1.700 13.341 1.939 1.00 0.00 N ATOM 105 CA VAL A 8 -1.505 12.862 3.330 1.00 0.00 C ATOM 106 C VAL A 8 -0.228 13.421 4.002 1.00 0.00 C ATOM 107 O VAL A 8 -0.171 13.517 5.228 1.00 0.00 O ATOM 108 CB VAL A 8 -1.525 11.314 3.340 1.00 0.00 C ATOM 109 CG1 VAL A 8 -1.362 10.698 4.735 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.848 10.778 2.768 1.00 0.00 C ATOM 0 H VAL A 8 -1.081 12.867 1.281 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.330 13.245 3.931 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.671 11.026 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.386 9.611 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.409 11.010 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.175 11.034 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.837 9.688 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.679 11.143 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.966 11.123 1.741 1.00 0.00 H new ATOM 120 N THR A 9 0.776 13.834 3.216 1.00 0.00 N ATOM 121 CA THR A 9 2.064 14.397 3.707 1.00 0.00 C ATOM 122 C THR A 9 2.413 15.755 3.097 1.00 0.00 C ATOM 123 O THR A 9 2.949 16.625 3.787 1.00 0.00 O ATOM 124 CB THR A 9 3.259 13.451 3.490 1.00 0.00 C ATOM 125 OG1 THR A 9 3.606 13.371 2.122 1.00 0.00 O ATOM 126 CG2 THR A 9 3.008 12.026 3.973 1.00 0.00 C ATOM 0 H THR A 9 0.725 13.790 2.198 1.00 0.00 H new ATOM 0 HA THR A 9 1.893 14.525 4.776 1.00 0.00 H new ATOM 0 HB THR A 9 4.064 13.887 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.797 13.230 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.893 11.418 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.793 12.037 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.159 11.604 3.436 1.00 0.00 H new ATOM 134 N GLY A 10 2.091 15.946 1.815 1.00 0.00 N ATOM 135 CA GLY A 10 2.372 17.174 1.051 1.00 0.00 C ATOM 136 C GLY A 10 3.605 17.094 0.142 1.00 0.00 C ATOM 137 O GLY A 10 3.986 18.099 -0.461 1.00 0.00 O ATOM 0 H GLY A 10 1.615 15.234 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.502 17.413 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.506 17.999 1.751 1.00 0.00 H new ATOM 141 N GLU A 11 4.247 15.926 0.042 1.00 0.00 N ATOM 142 CA GLU A 11 5.396 15.690 -0.845 1.00 0.00 C ATOM 143 C GLU A 11 4.981 15.386 -2.290 1.00 0.00 C ATOM 144 O GLU A 11 4.027 14.657 -2.538 1.00 0.00 O ATOM 145 CB GLU A 11 6.261 14.556 -0.274 1.00 0.00 C ATOM 146 CG GLU A 11 7.145 15.051 0.872 1.00 0.00 C ATOM 147 CD GLU A 11 8.416 15.761 0.364 1.00 0.00 C ATOM 148 OE1 GLU A 11 8.354 16.972 0.038 1.00 0.00 O ATOM 149 OE2 GLU A 11 9.489 15.115 0.289 1.00 0.00 O ATOM 0 H GLU A 11 3.981 15.103 0.583 1.00 0.00 H new ATOM 0 HA GLU A 11 5.977 16.612 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.619 13.750 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.886 14.140 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.574 15.736 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.429 14.207 1.500 1.00 0.00 H new ATOM 156 N VAL A 12 5.736 15.904 -3.253 1.00 0.00 N ATOM 157 CA VAL A 12 5.492 15.760 -4.701 1.00 0.00 C ATOM 158 C VAL A 12 6.661 15.063 -5.410 1.00 0.00 C ATOM 159 O VAL A 12 7.821 15.452 -5.252 1.00 0.00 O ATOM 160 CB VAL A 12 5.104 17.114 -5.346 1.00 0.00 C ATOM 161 CG1 VAL A 12 6.035 18.276 -4.971 1.00 0.00 C ATOM 162 CG2 VAL A 12 5.041 17.048 -6.876 1.00 0.00 C ATOM 0 H VAL A 12 6.568 16.458 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 12 4.632 15.103 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 12 4.113 17.309 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.695 19.188 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.021 18.420 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.051 18.047 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.765 18.025 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.017 16.761 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.297 16.311 -7.178 1.00 0.00 H new ATOM 172 N SER A 13 6.344 14.051 -6.224 1.00 0.00 N ATOM 173 CA SER A 13 7.254 13.432 -7.200 1.00 0.00 C ATOM 174 C SER A 13 6.537 13.180 -8.532 1.00 0.00 C ATOM 175 O SER A 13 5.342 12.880 -8.553 1.00 0.00 O ATOM 176 CB SER A 13 7.816 12.121 -6.642 1.00 0.00 C ATOM 177 OG SER A 13 8.714 11.540 -7.574 1.00 0.00 O ATOM 0 H SER A 13 5.417 13.625 -6.224 1.00 0.00 H new ATOM 0 HA SER A 13 8.079 14.120 -7.383 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.329 12.309 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.002 11.428 -6.429 1.00 0.00 H new ATOM 0 HG SER A 13 9.069 10.703 -7.208 1.00 0.00 H new ATOM 183 N ASP A 14 7.263 13.264 -9.650 1.00 0.00 N ATOM 184 CA ASP A 14 6.746 12.905 -10.982 1.00 0.00 C ATOM 185 C ASP A 14 6.474 11.394 -11.128 1.00 0.00 C ATOM 186 O ASP A 14 5.626 10.983 -11.920 1.00 0.00 O ATOM 187 CB ASP A 14 7.699 13.398 -12.081 1.00 0.00 C ATOM 188 CG ASP A 14 8.109 14.869 -11.904 1.00 0.00 C ATOM 189 OD1 ASP A 14 7.305 15.765 -12.257 1.00 0.00 O ATOM 190 OD2 ASP A 14 9.237 15.135 -11.422 1.00 0.00 O ATOM 0 H ASP A 14 8.231 13.584 -9.661 1.00 0.00 H new ATOM 0 HA ASP A 14 5.785 13.407 -11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.593 12.775 -12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.220 13.274 -13.052 1.00 0.00 H new ATOM 195 N ASP A 15 7.134 10.563 -10.316 1.00 0.00 N ATOM 196 CA ASP A 15 6.907 9.126 -10.150 1.00 0.00 C ATOM 197 C ASP A 15 5.845 8.819 -9.067 1.00 0.00 C ATOM 198 O ASP A 15 5.986 7.892 -8.267 1.00 0.00 O ATOM 199 CB ASP A 15 8.259 8.433 -9.930 1.00 0.00 C ATOM 200 CG ASP A 15 9.286 8.774 -11.026 1.00 0.00 C ATOM 201 OD1 ASP A 15 9.158 8.240 -12.156 1.00 0.00 O ATOM 202 OD2 ASP A 15 10.226 9.565 -10.771 1.00 0.00 O ATOM 0 H ASP A 15 7.890 10.899 -9.719 1.00 0.00 H new ATOM 0 HA ASP A 15 6.471 8.713 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.659 8.725 -8.959 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.109 7.354 -9.901 1.00 0.00 H new ATOM 207 N ASN A 16 4.804 9.658 -9.008 1.00 0.00 N ATOM 208 CA ASN A 16 3.740 9.682 -7.998 1.00 0.00 C ATOM 209 C ASN A 16 3.106 8.311 -7.661 1.00 0.00 C ATOM 210 O ASN A 16 2.610 7.600 -8.540 1.00 0.00 O ATOM 211 CB ASN A 16 2.658 10.702 -8.421 1.00 0.00 C ATOM 212 CG ASN A 16 2.243 10.689 -9.890 1.00 0.00 C ATOM 213 OD1 ASN A 16 2.183 11.717 -10.548 1.00 0.00 O ATOM 214 ND2 ASN A 16 1.935 9.547 -10.459 1.00 0.00 N ATOM 0 H ASN A 16 4.674 10.386 -9.711 1.00 0.00 H new ATOM 0 HA ASN A 16 4.220 9.985 -7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.769 10.527 -7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.018 11.702 -8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.650 9.526 -11.438 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.981 8.681 -9.922 1.00 0.00 H new ATOM 221 N LEU A 17 3.051 7.989 -6.367 1.00 0.00 N ATOM 222 CA LEU A 17 2.369 6.829 -5.783 1.00 0.00 C ATOM 223 C LEU A 17 0.873 7.120 -5.591 1.00 0.00 C ATOM 224 O LEU A 17 0.450 8.276 -5.639 1.00 0.00 O ATOM 225 CB LEU A 17 3.088 6.416 -4.467 1.00 0.00 C ATOM 226 CG LEU A 17 4.616 6.286 -4.624 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.314 5.960 -3.306 1.00 0.00 C ATOM 228 CD2 LEU A 17 4.980 5.260 -5.698 1.00 0.00 C ATOM 0 H LEU A 17 3.507 8.562 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 17 2.425 5.980 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.870 7.154 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.683 5.465 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 17 4.977 7.263 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.388 5.880 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.118 6.753 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.935 5.014 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.065 5.192 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.576 4.286 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.559 5.570 -6.655 1.00 0.00 H new ATOM 240 N LYS A 18 0.045 6.083 -5.414 1.00 0.00 N ATOM 241 CA LYS A 18 -1.419 6.237 -5.302 1.00 0.00 C ATOM 242 C LYS A 18 -2.087 5.293 -4.288 1.00 0.00 C ATOM 243 O LYS A 18 -1.580 4.208 -4.001 1.00 0.00 O ATOM 244 CB LYS A 18 -2.094 6.148 -6.684 1.00 0.00 C ATOM 245 CG LYS A 18 -1.634 7.197 -7.709 1.00 0.00 C ATOM 246 CD LYS A 18 -2.486 7.138 -8.983 1.00 0.00 C ATOM 247 CE LYS A 18 -1.992 8.169 -10.005 1.00 0.00 C ATOM 248 NZ LYS A 18 -2.791 8.121 -11.259 1.00 0.00 N ATOM 0 H LYS A 18 0.364 5.117 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.573 7.237 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.910 5.156 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.172 6.243 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.700 8.192 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.587 7.029 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.438 6.138 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.531 7.330 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.051 9.168 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.943 7.982 -10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.430 8.831 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.714 7.175 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.788 8.324 -11.043 1.00 0.00 H new ATOM 262 N LEU A 19 -3.226 5.735 -3.745 1.00 0.00 N ATOM 263 CA LEU A 19 -3.974 5.110 -2.641 1.00 0.00 C ATOM 264 C LEU A 19 -4.668 3.790 -3.028 1.00 0.00 C ATOM 265 O LEU A 19 -4.961 3.540 -4.198 1.00 0.00 O ATOM 266 CB LEU A 19 -4.913 6.184 -2.042 1.00 0.00 C ATOM 267 CG LEU A 19 -5.446 5.929 -0.611 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.490 7.230 0.191 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.878 5.394 -0.640 1.00 0.00 C ATOM 0 H LEU A 19 -3.679 6.585 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.281 4.780 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.383 7.136 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.769 6.296 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.770 5.205 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.868 7.027 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.486 7.649 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.148 7.942 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.224 5.225 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.528 6.120 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.904 4.455 -1.192 1.00 0.00 H new ATOM 281 N ALA A 20 -4.928 2.939 -2.036 1.00 0.00 N ATOM 282 CA ALA A 20 -5.366 1.548 -2.229 1.00 0.00 C ATOM 283 C ALA A 20 -6.878 1.393 -2.508 1.00 0.00 C ATOM 284 O ALA A 20 -7.674 2.254 -2.138 1.00 0.00 O ATOM 285 CB ALA A 20 -4.915 0.696 -1.032 1.00 0.00 C ATOM 0 H ALA A 20 -4.840 3.198 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.884 1.186 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.240 -0.334 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.828 0.726 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.356 1.091 -0.117 1.00 0.00 H new ATOM 291 N GLY A 21 -7.283 0.290 -3.156 1.00 0.00 N ATOM 292 CA GLY A 21 -8.689 0.043 -3.535 1.00 0.00 C ATOM 293 C GLY A 21 -9.108 -1.436 -3.520 1.00 0.00 C ATOM 294 O GLY A 21 -10.268 -1.740 -3.238 1.00 0.00 O ATOM 0 H GLY A 21 -6.647 -0.458 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.337 0.597 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.858 0.444 -4.534 1.00 0.00 H new ATOM 298 N GLY A 22 -8.161 -2.355 -3.738 1.00 0.00 N ATOM 299 CA GLY A 22 -8.294 -3.784 -3.451 1.00 0.00 C ATOM 300 C GLY A 22 -8.441 -4.679 -4.681 1.00 0.00 C ATOM 301 O GLY A 22 -9.510 -5.250 -4.906 1.00 0.00 O ATOM 0 H GLY A 22 -7.251 -2.115 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.420 -4.109 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.162 -3.931 -2.808 1.00 0.00 H new ATOM 305 N LYS A 23 -7.362 -4.831 -5.468 1.00 0.00 N ATOM 306 CA LYS A 23 -7.356 -5.685 -6.677 1.00 0.00 C ATOM 307 C LYS A 23 -7.244 -7.192 -6.387 1.00 0.00 C ATOM 308 O LYS A 23 -7.828 -7.998 -7.111 1.00 0.00 O ATOM 309 CB LYS A 23 -6.243 -5.256 -7.652 1.00 0.00 C ATOM 310 CG LYS A 23 -6.370 -3.813 -8.166 1.00 0.00 C ATOM 311 CD LYS A 23 -5.303 -3.541 -9.239 1.00 0.00 C ATOM 312 CE LYS A 23 -5.404 -2.106 -9.765 1.00 0.00 C ATOM 313 NZ LYS A 23 -4.393 -1.835 -10.820 1.00 0.00 N ATOM 0 H LYS A 23 -6.471 -4.369 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.332 -5.532 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.279 -5.368 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.243 -5.934 -8.505 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.365 -3.653 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.253 -3.112 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.311 -3.709 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.425 -4.243 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.403 -1.935 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.267 -1.406 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.492 -0.854 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.439 -1.974 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.540 -2.487 -11.617 1.00 0.00 H new ATOM 327 N LEU A 24 -6.495 -7.566 -5.347 1.00 0.00 N ATOM 328 CA LEU A 24 -6.241 -8.950 -4.910 1.00 0.00 C ATOM 329 C LEU A 24 -5.914 -8.988 -3.407 1.00 0.00 C ATOM 330 O LEU A 24 -5.502 -7.971 -2.852 1.00 0.00 O ATOM 331 CB LEU A 24 -5.088 -9.546 -5.749 1.00 0.00 C ATOM 332 CG LEU A 24 -4.918 -11.078 -5.661 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.170 -11.848 -6.086 1.00 0.00 C ATOM 334 CD2 LEU A 24 -3.776 -11.506 -6.580 1.00 0.00 C ATOM 0 H LEU A 24 -6.024 -6.882 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.136 -9.552 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.246 -9.276 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.155 -9.077 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.716 -11.311 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.985 -12.919 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.004 -11.572 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.415 -11.603 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.649 -12.587 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.008 -11.221 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.854 -11.016 -6.267 1.00 0.00 H new ATOM 346 N VAL A 25 -6.080 -10.141 -2.751 1.00 0.00 N ATOM 347 CA VAL A 25 -5.897 -10.306 -1.298 1.00 0.00 C ATOM 348 C VAL A 25 -4.454 -10.665 -0.917 1.00 0.00 C ATOM 349 O VAL A 25 -3.812 -11.534 -1.512 1.00 0.00 O ATOM 350 CB VAL A 25 -6.878 -11.348 -0.727 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.653 -11.555 0.773 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.328 -10.885 -0.914 1.00 0.00 C ATOM 0 H VAL A 25 -6.351 -11.005 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.115 -9.336 -0.852 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.699 -12.279 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.359 -12.295 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.635 -11.906 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.804 -10.611 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.005 -11.635 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.478 -9.938 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.533 -10.752 -1.976 1.00 0.00 H new ATOM 362 N LEU A 26 -3.968 -9.960 0.104 1.00 0.00 N ATOM 363 CA LEU A 26 -2.656 -10.037 0.740 1.00 0.00 C ATOM 364 C LEU A 26 -2.778 -10.068 2.275 1.00 0.00 C ATOM 365 O LEU A 26 -3.785 -9.653 2.847 1.00 0.00 O ATOM 366 CB LEU A 26 -1.754 -8.897 0.232 1.00 0.00 C ATOM 367 CG LEU A 26 -1.153 -9.188 -1.162 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.040 -8.739 -2.331 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.166 -8.455 -1.336 1.00 0.00 C ATOM 0 H LEU A 26 -4.545 -9.247 0.551 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.180 -10.976 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.332 -7.974 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.946 -8.734 0.945 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.042 -10.272 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.548 -8.978 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.998 -9.256 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.205 -7.663 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.575 -8.671 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.002 -7.382 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.869 -8.785 -0.572 1.00 0.00 H new ATOM 381 N SER A 27 -1.769 -10.586 2.974 1.00 0.00 N ATOM 382 CA SER A 27 -1.665 -10.525 4.436 1.00 0.00 C ATOM 383 C SER A 27 -0.959 -9.240 4.870 1.00 0.00 C ATOM 384 O SER A 27 -0.587 -8.419 4.031 1.00 0.00 O ATOM 385 CB SER A 27 -0.850 -11.731 4.904 1.00 0.00 C ATOM 386 OG SER A 27 0.488 -11.594 4.441 1.00 0.00 O ATOM 0 H SER A 27 -0.985 -11.069 2.535 1.00 0.00 H new ATOM 0 HA SER A 27 -2.663 -10.536 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.867 -11.797 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.288 -12.653 4.521 1.00 0.00 H new ATOM 0 HG SER A 27 0.699 -12.329 3.828 1.00 0.00 H new ATOM 392 N LYS A 28 -0.673 -9.106 6.173 1.00 0.00 N ATOM 393 CA LYS A 28 0.239 -8.090 6.737 1.00 0.00 C ATOM 394 C LYS A 28 1.560 -8.025 5.951 1.00 0.00 C ATOM 395 O LYS A 28 1.991 -6.954 5.500 1.00 0.00 O ATOM 396 CB LYS A 28 0.454 -8.467 8.218 1.00 0.00 C ATOM 397 CG LYS A 28 1.106 -7.357 9.049 1.00 0.00 C ATOM 398 CD LYS A 28 1.148 -7.727 10.537 1.00 0.00 C ATOM 399 CE LYS A 28 1.426 -6.515 11.437 1.00 0.00 C ATOM 400 NZ LYS A 28 2.798 -5.959 11.282 1.00 0.00 N ATOM 0 H LYS A 28 -1.078 -9.714 6.885 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.189 -7.090 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.508 -8.723 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.077 -9.360 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.119 -7.177 8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.551 -6.428 8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.197 -8.177 10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.919 -8.480 10.699 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.699 -5.734 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.275 -6.804 12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.125 -5.581 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.444 -6.711 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.786 -5.196 10.576 1.00 0.00 H new ATOM 414 N GLU A 29 2.140 -9.202 5.713 1.00 0.00 N ATOM 415 CA GLU A 29 3.440 -9.337 5.060 1.00 0.00 C ATOM 416 C GLU A 29 3.333 -9.106 3.545 1.00 0.00 C ATOM 417 O GLU A 29 4.184 -8.451 2.936 1.00 0.00 O ATOM 418 CB GLU A 29 4.070 -10.698 5.388 1.00 0.00 C ATOM 419 CG GLU A 29 4.424 -10.824 6.876 1.00 0.00 C ATOM 420 CD GLU A 29 5.166 -12.144 7.166 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.392 -12.227 6.907 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.534 -13.102 7.673 1.00 0.00 O ATOM 0 H GLU A 29 1.717 -10.094 5.970 1.00 0.00 H new ATOM 0 HA GLU A 29 4.100 -8.563 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.378 -11.494 5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.970 -10.835 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.046 -9.981 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.514 -10.777 7.474 1.00 0.00 H new ATOM 429 N GLY A 30 2.231 -9.551 2.935 1.00 0.00 N ATOM 430 CA GLY A 30 1.932 -9.223 1.556 1.00 0.00 C ATOM 431 C GLY A 30 1.785 -7.711 1.348 1.00 0.00 C ATOM 432 O GLY A 30 2.426 -7.158 0.455 1.00 0.00 O ATOM 0 H GLY A 30 1.533 -10.142 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.725 -9.603 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.011 -9.722 1.255 1.00 0.00 H new ATOM 436 N ALA A 31 1.014 -7.011 2.188 1.00 0.00 N ATOM 437 CA ALA A 31 0.787 -5.575 2.041 1.00 0.00 C ATOM 438 C ALA A 31 2.101 -4.798 2.186 1.00 0.00 C ATOM 439 O ALA A 31 2.399 -3.914 1.370 1.00 0.00 O ATOM 440 CB ALA A 31 -0.255 -5.095 3.066 1.00 0.00 C ATOM 0 H ALA A 31 0.532 -7.426 2.986 1.00 0.00 H new ATOM 0 HA ALA A 31 0.398 -5.385 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.416 -4.024 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.195 -5.623 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.106 -5.298 4.074 1.00 0.00 H new ATOM 446 N GLU A 32 2.922 -5.157 3.186 1.00 0.00 N ATOM 447 CA GLU A 32 4.217 -4.465 3.313 1.00 0.00 C ATOM 448 C GLU A 32 5.136 -4.740 2.104 1.00 0.00 C ATOM 449 O GLU A 32 5.888 -3.864 1.671 1.00 0.00 O ATOM 450 CB GLU A 32 4.941 -4.751 4.622 1.00 0.00 C ATOM 451 CG GLU A 32 5.494 -6.167 4.745 1.00 0.00 C ATOM 452 CD GLU A 32 6.218 -6.366 6.091 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.545 -6.371 7.153 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.465 -6.511 6.097 1.00 0.00 O ATOM 0 H GLU A 32 2.731 -5.878 3.881 1.00 0.00 H new ATOM 0 HA GLU A 32 3.973 -3.403 3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.763 -4.043 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.254 -4.570 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.681 -6.887 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.184 -6.363 3.925 1.00 0.00 H new ATOM 461 N GLN A 33 5.048 -5.941 1.515 1.00 0.00 N ATOM 462 CA GLN A 33 5.783 -6.265 0.294 1.00 0.00 C ATOM 463 C GLN A 33 5.303 -5.461 -0.928 1.00 0.00 C ATOM 464 O GLN A 33 6.143 -4.992 -1.702 1.00 0.00 O ATOM 465 CB GLN A 33 5.753 -7.785 0.077 1.00 0.00 C ATOM 466 CG GLN A 33 6.832 -8.524 0.885 1.00 0.00 C ATOM 467 CD GLN A 33 8.243 -8.255 0.366 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.987 -7.435 0.888 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.668 -8.921 -0.688 1.00 0.00 N ATOM 0 H GLN A 33 4.471 -6.704 1.870 1.00 0.00 H new ATOM 0 HA GLN A 33 6.822 -5.959 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.771 -8.168 0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.889 -7.999 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.769 -8.220 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.635 -9.596 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.062 -9.608 -1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.604 -8.750 -1.056 1.00 0.00 H new ATOM 478 N ILE A 34 4.000 -5.170 -1.059 1.00 0.00 N ATOM 479 CA ILE A 34 3.542 -4.188 -2.062 1.00 0.00 C ATOM 480 C ILE A 34 4.178 -2.833 -1.771 1.00 0.00 C ATOM 481 O ILE A 34 4.661 -2.194 -2.695 1.00 0.00 O ATOM 482 CB ILE A 34 2.020 -3.990 -2.138 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.268 -5.315 -2.293 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.725 -3.095 -3.365 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.235 -5.129 -2.049 1.00 0.00 C ATOM 0 H ILE A 34 3.257 -5.588 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 34 3.850 -4.601 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 34 1.680 -3.533 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.430 -5.714 -3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.666 -6.047 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.650 -2.934 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.227 -2.135 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.090 -3.584 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.744 -6.086 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.396 -4.753 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.635 -4.415 -2.769 1.00 0.00 H new ATOM 497 N ILE A 35 4.226 -2.380 -0.515 1.00 0.00 N ATOM 498 CA ILE A 35 4.881 -1.093 -0.221 1.00 0.00 C ATOM 499 C ILE A 35 6.364 -1.063 -0.570 1.00 0.00 C ATOM 500 O ILE A 35 6.857 -0.029 -1.019 1.00 0.00 O ATOM 501 CB ILE A 35 4.566 -0.602 1.199 1.00 0.00 C ATOM 502 CG1 ILE A 35 3.742 0.696 1.083 1.00 0.00 C ATOM 503 CG2 ILE A 35 5.772 -0.409 2.142 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.537 1.897 0.575 1.00 0.00 C ATOM 0 H ILE A 35 3.835 -2.863 0.294 1.00 0.00 H new ATOM 0 HA ILE A 35 4.439 -0.363 -0.900 1.00 0.00 H new ATOM 0 HB ILE A 35 4.006 -1.403 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.901 0.521 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.325 0.937 2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.422 -0.060 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.294 -1.358 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.453 0.328 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.885 2.769 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.362 2.102 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.932 1.679 -0.417 1.00 0.00 H new ATOM 516 N SER A 36 7.048 -2.200 -0.460 1.00 0.00 N ATOM 517 CA SER A 36 8.393 -2.336 -1.013 1.00 0.00 C ATOM 518 C SER A 36 8.365 -2.107 -2.530 1.00 0.00 C ATOM 519 O SER A 36 9.090 -1.240 -3.016 1.00 0.00 O ATOM 520 CB SER A 36 9.009 -3.691 -0.648 1.00 0.00 C ATOM 521 OG SER A 36 10.394 -3.696 -0.954 1.00 0.00 O ATOM 0 H SER A 36 6.695 -3.036 0.005 1.00 0.00 H new ATOM 0 HA SER A 36 9.032 -1.572 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.863 -3.892 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.505 -4.487 -1.195 1.00 0.00 H new ATOM 0 HG SER A 36 10.779 -4.565 -0.716 1.00 0.00 H new ATOM 527 N GLU A 37 7.455 -2.753 -3.278 1.00 0.00 N ATOM 528 CA GLU A 37 7.320 -2.506 -4.728 1.00 0.00 C ATOM 529 C GLU A 37 6.980 -1.034 -5.045 1.00 0.00 C ATOM 530 O GLU A 37 7.619 -0.415 -5.897 1.00 0.00 O ATOM 531 CB GLU A 37 6.256 -3.420 -5.368 1.00 0.00 C ATOM 532 CG GLU A 37 6.506 -4.927 -5.236 1.00 0.00 C ATOM 533 CD GLU A 37 7.796 -5.376 -5.939 1.00 0.00 C ATOM 534 OE1 GLU A 37 7.851 -5.356 -7.191 1.00 0.00 O ATOM 535 OE2 GLU A 37 8.766 -5.776 -5.253 1.00 0.00 O ATOM 0 H GLU A 37 6.805 -3.446 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 37 8.295 -2.736 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.289 -3.190 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.182 -3.174 -6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.561 -5.191 -4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.660 -5.470 -5.656 1.00 0.00 H new ATOM 542 N ILE A 38 6.019 -0.440 -4.331 1.00 0.00 N ATOM 543 CA ILE A 38 5.553 0.936 -4.537 1.00 0.00 C ATOM 544 C ILE A 38 6.694 1.941 -4.309 1.00 0.00 C ATOM 545 O ILE A 38 7.055 2.708 -5.209 1.00 0.00 O ATOM 546 CB ILE A 38 4.320 1.153 -3.624 1.00 0.00 C ATOM 547 CG1 ILE A 38 3.075 0.491 -4.255 1.00 0.00 C ATOM 548 CG2 ILE A 38 4.041 2.614 -3.319 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.824 0.482 -3.360 1.00 0.00 C ATOM 0 H ILE A 38 5.530 -0.916 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 38 5.243 1.105 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 38 4.552 0.681 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.836 1.010 -5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.323 -0.537 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.165 2.690 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.902 3.051 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.856 3.151 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.003 -0.003 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.038 -0.064 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.544 1.507 -3.116 1.00 0.00 H new ATOM 561 N GLN A 39 7.334 1.891 -3.142 1.00 0.00 N ATOM 562 CA GLN A 39 8.409 2.821 -2.799 1.00 0.00 C ATOM 563 C GLN A 39 9.621 2.634 -3.728 1.00 0.00 C ATOM 564 O GLN A 39 10.259 3.613 -4.125 1.00 0.00 O ATOM 565 CB GLN A 39 8.816 2.642 -1.333 1.00 0.00 C ATOM 566 CG GLN A 39 7.872 3.288 -0.300 1.00 0.00 C ATOM 567 CD GLN A 39 8.567 3.503 1.045 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.396 2.724 1.498 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.249 4.574 1.732 1.00 0.00 N ATOM 0 H GLN A 39 7.124 1.210 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 39 8.039 3.837 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.884 1.575 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.814 3.058 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.515 4.244 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.997 2.653 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.560 5.230 1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.691 4.751 2.634 1.00 0.00 H new ATOM 578 N ASN A 40 9.883 1.395 -4.155 1.00 0.00 N ATOM 579 CA ASN A 40 10.902 1.095 -5.165 1.00 0.00 C ATOM 580 C ASN A 40 10.530 1.650 -6.553 1.00 0.00 C ATOM 581 O ASN A 40 11.433 2.061 -7.286 1.00 0.00 O ATOM 582 CB ASN A 40 11.120 -0.426 -5.222 1.00 0.00 C ATOM 583 CG ASN A 40 11.846 -1.008 -4.012 1.00 0.00 C ATOM 584 OD1 ASN A 40 12.362 -0.315 -3.145 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.952 -2.316 -3.941 1.00 0.00 N ATOM 0 H ASN A 40 9.393 0.570 -3.809 1.00 0.00 H new ATOM 0 HA ASN A 40 11.829 1.590 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.151 -0.916 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.689 -0.665 -6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.461 -2.745 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.525 -2.902 -4.659 1.00 0.00 H new ATOM 592 N GLN A 41 9.244 1.726 -6.919 1.00 0.00 N ATOM 593 CA GLN A 41 8.813 2.264 -8.212 1.00 0.00 C ATOM 594 C GLN A 41 8.891 3.795 -8.234 1.00 0.00 C ATOM 595 O GLN A 41 9.251 4.357 -9.271 1.00 0.00 O ATOM 596 CB GLN A 41 7.400 1.760 -8.536 1.00 0.00 C ATOM 597 CG GLN A 41 7.391 0.282 -8.964 1.00 0.00 C ATOM 598 CD GLN A 41 7.435 0.117 -10.483 1.00 0.00 C ATOM 599 OE1 GLN A 41 6.441 0.288 -11.179 1.00 0.00 O ATOM 600 NE2 GLN A 41 8.567 -0.202 -11.074 1.00 0.00 N ATOM 0 H GLN A 41 8.474 1.416 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 41 9.492 1.907 -8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.762 1.887 -7.661 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.973 2.369 -9.333 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.247 -0.227 -8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.495 -0.201 -8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.409 -0.350 -10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.602 -0.301 -12.089 1.00 0.00 H new ATOM 609 N LEU A 42 8.663 4.474 -7.097 1.00 0.00 N ATOM 610 CA LEU A 42 9.006 5.905 -6.993 1.00 0.00 C ATOM 611 C LEU A 42 10.515 6.142 -7.095 1.00 0.00 C ATOM 612 O LEU A 42 10.962 7.000 -7.856 1.00 0.00 O ATOM 613 CB LEU A 42 8.414 6.529 -5.722 1.00 0.00 C ATOM 614 CG LEU A 42 8.595 8.069 -5.634 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.428 8.716 -4.896 1.00 0.00 C ATOM 616 CD2 LEU A 42 9.875 8.451 -4.879 1.00 0.00 C ATOM 0 H LEU A 42 8.253 4.069 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 42 8.552 6.409 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.350 6.295 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.880 6.068 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 42 8.648 8.425 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.580 9.794 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.500 8.504 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.369 8.313 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.964 9.537 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.832 8.054 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.740 8.034 -5.395 1.00 0.00 H new ATOM 746 N MET B 4 -9.537 -16.696 1.596 1.00 0.00 N ATOM 747 CA MET B 4 -8.841 -15.448 1.260 1.00 0.00 C ATOM 748 C MET B 4 -7.417 -15.426 1.832 1.00 0.00 C ATOM 749 O MET B 4 -7.191 -15.081 2.992 1.00 0.00 O ATOM 750 CB MET B 4 -9.663 -14.235 1.726 1.00 0.00 C ATOM 751 CG MET B 4 -10.620 -13.744 0.634 1.00 0.00 C ATOM 752 SD MET B 4 -12.008 -14.853 0.257 1.00 0.00 S ATOM 753 CE MET B 4 -12.779 -13.915 -1.090 1.00 0.00 C ATOM 0 HA MET B 4 -8.744 -15.392 0.176 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.233 -14.502 2.616 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.989 -13.426 2.010 1.00 0.00 H new ATOM 0 HG2 MET B 4 -11.022 -12.776 0.935 1.00 0.00 H new ATOM 0 HG3 MET B 4 -10.049 -13.581 -0.280 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.657 -14.451 -1.450 1.00 0.00 H new ATOM 0 HE2 MET B 4 -13.078 -12.932 -0.725 1.00 0.00 H new ATOM 0 HE3 MET B 4 -12.066 -13.797 -1.906 1.00 0.00 H new ATOM 763 N THR B 5 -6.453 -15.789 0.990 1.00 0.00 N ATOM 764 CA THR B 5 -5.028 -15.916 1.324 1.00 0.00 C ATOM 765 C THR B 5 -4.164 -14.959 0.506 1.00 0.00 C ATOM 766 O THR B 5 -4.518 -14.583 -0.615 1.00 0.00 O ATOM 767 CB THR B 5 -4.561 -17.371 1.154 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.283 -17.513 1.723 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.482 -17.835 -0.306 1.00 0.00 C ATOM 0 H THR B 5 -6.647 -16.013 0.014 1.00 0.00 H new ATOM 0 HA THR B 5 -4.908 -15.637 2.371 1.00 0.00 H new ATOM 0 HB THR B 5 -5.309 -17.989 1.651 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.980 -18.439 1.620 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.145 -18.871 -0.341 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.467 -17.758 -0.766 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.777 -17.206 -0.850 1.00 0.00 H new ATOM 777 N CYS B 6 -3.014 -14.575 1.054 1.00 0.00 N ATOM 778 CA CYS B 6 -2.018 -13.763 0.379 1.00 0.00 C ATOM 779 C CYS B 6 -1.432 -14.447 -0.865 1.00 0.00 C ATOM 780 O CYS B 6 -0.856 -15.528 -0.766 1.00 0.00 O ATOM 781 CB CYS B 6 -0.934 -13.396 1.395 1.00 0.00 C ATOM 782 SG CYS B 6 0.219 -12.229 0.632 1.00 0.00 S ATOM 0 H CYS B 6 -2.747 -14.829 2.005 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.495 -12.859 0.002 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.385 -12.953 2.283 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.404 -14.291 1.719 1.00 0.00 H new ATOM 0 HG CYS B 6 0.972 -11.700 1.550 1.00 0.00 H new ATOM 788 N GLN B 7 -1.488 -13.796 -2.030 1.00 0.00 N ATOM 789 CA GLN B 7 -0.843 -14.314 -3.247 1.00 0.00 C ATOM 790 C GLN B 7 0.688 -14.077 -3.277 1.00 0.00 C ATOM 791 O GLN B 7 1.402 -14.767 -4.006 1.00 0.00 O ATOM 792 CB GLN B 7 -1.592 -13.743 -4.464 1.00 0.00 C ATOM 793 CG GLN B 7 -1.092 -14.219 -5.842 1.00 0.00 C ATOM 794 CD GLN B 7 -1.206 -15.731 -6.048 1.00 0.00 C ATOM 795 OE1 GLN B 7 -2.198 -16.247 -6.546 1.00 0.00 O ATOM 796 NE2 GLN B 7 -0.205 -16.498 -5.670 1.00 0.00 N ATOM 0 H GLN B 7 -1.973 -12.908 -2.160 1.00 0.00 H new ATOM 0 HA GLN B 7 -0.921 -15.401 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.647 -14.002 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.526 -12.656 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -1.661 -13.711 -6.621 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -0.050 -13.922 -5.963 1.00 0.00 H new ATOM 0 HE21 GLN B 7 0.628 -16.081 -5.254 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -0.262 -17.509 -5.794 1.00 0.00 H new ATOM 805 N VAL B 8 1.210 -13.147 -2.464 1.00 0.00 N ATOM 806 CA VAL B 8 2.647 -12.788 -2.396 1.00 0.00 C ATOM 807 C VAL B 8 3.418 -13.583 -1.325 1.00 0.00 C ATOM 808 O VAL B 8 4.626 -13.782 -1.457 1.00 0.00 O ATOM 809 CB VAL B 8 2.788 -11.260 -2.193 1.00 0.00 C ATOM 810 CG1 VAL B 8 4.235 -10.770 -2.049 1.00 0.00 C ATOM 811 CG2 VAL B 8 2.178 -10.506 -3.386 1.00 0.00 C ATOM 0 H VAL B 8 0.636 -12.606 -1.817 1.00 0.00 H new ATOM 0 HA VAL B 8 3.106 -13.066 -3.345 1.00 0.00 H new ATOM 0 HB VAL B 8 2.265 -11.056 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.241 -9.689 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.697 -11.249 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.796 -11.024 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.284 -9.432 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.696 -10.793 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.121 -10.757 -3.473 1.00 0.00 H new ATOM 821 N THR B 9 2.731 -14.067 -0.281 1.00 0.00 N ATOM 822 CA THR B 9 3.343 -14.750 0.884 1.00 0.00 C ATOM 823 C THR B 9 2.665 -16.075 1.242 1.00 0.00 C ATOM 824 O THR B 9 3.334 -17.011 1.686 1.00 0.00 O ATOM 825 CB THR B 9 3.352 -13.855 2.134 1.00 0.00 C ATOM 826 OG1 THR B 9 2.041 -13.704 2.630 1.00 0.00 O ATOM 827 CG2 THR B 9 3.899 -12.452 1.868 1.00 0.00 C ATOM 0 H THR B 9 1.716 -13.997 -0.214 1.00 0.00 H new ATOM 0 HA THR B 9 4.365 -14.963 0.570 1.00 0.00 H new ATOM 0 HB THR B 9 4.004 -14.354 2.851 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.459 -13.363 1.919 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.878 -11.872 2.791 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.925 -12.524 1.508 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.284 -11.958 1.115 1.00 0.00 H new ATOM 835 N GLY B 10 1.349 -16.170 1.025 1.00 0.00 N ATOM 836 CA GLY B 10 0.544 -17.363 1.339 1.00 0.00 C ATOM 837 C GLY B 10 -0.127 -17.337 2.718 1.00 0.00 C ATOM 838 O GLY B 10 -0.684 -18.348 3.149 1.00 0.00 O ATOM 0 H GLY B 10 0.802 -15.410 0.620 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.227 -17.476 0.577 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.184 -18.243 1.278 1.00 0.00 H new ATOM 842 N GLU B 11 -0.065 -16.207 3.429 1.00 0.00 N ATOM 843 CA GLU B 11 -0.716 -16.004 4.727 1.00 0.00 C ATOM 844 C GLU B 11 -2.183 -15.567 4.627 1.00 0.00 C ATOM 845 O GLU B 11 -2.568 -14.768 3.777 1.00 0.00 O ATOM 846 CB GLU B 11 0.096 -15.006 5.558 1.00 0.00 C ATOM 847 CG GLU B 11 1.337 -15.660 6.170 1.00 0.00 C ATOM 848 CD GLU B 11 1.027 -16.778 7.193 1.00 0.00 C ATOM 849 OE1 GLU B 11 -0.048 -16.756 7.838 1.00 0.00 O ATOM 850 OE2 GLU B 11 1.868 -17.695 7.357 1.00 0.00 O ATOM 0 H GLU B 11 0.452 -15.388 3.110 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.738 -16.974 5.223 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.398 -14.169 4.929 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.530 -14.598 6.352 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.947 -16.076 5.368 1.00 0.00 H new ATOM 0 HG3 GLU B 11 1.935 -14.891 6.659 1.00 0.00 H new ATOM 857 N VAL B 12 -3.002 -16.074 5.544 1.00 0.00 N ATOM 858 CA VAL B 12 -4.466 -15.895 5.586 1.00 0.00 C ATOM 859 C VAL B 12 -4.930 -15.271 6.907 1.00 0.00 C ATOM 860 O VAL B 12 -4.666 -15.811 7.984 1.00 0.00 O ATOM 861 CB VAL B 12 -5.210 -17.213 5.249 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.629 -18.462 5.931 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.708 -17.168 5.582 1.00 0.00 C ATOM 0 H VAL B 12 -2.658 -16.647 6.315 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.731 -15.181 4.806 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.065 -17.295 4.172 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.209 -19.338 5.641 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.592 -18.595 5.624 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.674 -18.340 7.013 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.167 -18.122 5.322 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.838 -16.982 6.648 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -7.183 -16.369 5.013 1.00 0.00 H new ATOM 873 N SER B 13 -5.665 -14.156 6.813 1.00 0.00 N ATOM 874 CA SER B 13 -6.363 -13.519 7.946 1.00 0.00 C ATOM 875 C SER B 13 -7.849 -13.269 7.647 1.00 0.00 C ATOM 876 O SER B 13 -8.246 -13.138 6.488 1.00 0.00 O ATOM 877 CB SER B 13 -5.689 -12.188 8.301 1.00 0.00 C ATOM 878 OG SER B 13 -4.291 -12.339 8.502 1.00 0.00 O ATOM 0 H SER B 13 -5.796 -13.659 5.932 1.00 0.00 H new ATOM 0 HA SER B 13 -6.300 -14.209 8.788 1.00 0.00 H new ATOM 0 HB2 SER B 13 -5.865 -11.468 7.502 1.00 0.00 H new ATOM 0 HB3 SER B 13 -6.144 -11.780 9.204 1.00 0.00 H new ATOM 0 HG SER B 13 -4.060 -12.063 9.414 1.00 0.00 H new ATOM 884 N ASP B 14 -8.684 -13.134 8.680 1.00 0.00 N ATOM 885 CA ASP B 14 -10.099 -12.739 8.526 1.00 0.00 C ATOM 886 C ASP B 14 -10.270 -11.248 8.165 1.00 0.00 C ATOM 887 O ASP B 14 -11.202 -10.870 7.456 1.00 0.00 O ATOM 888 CB ASP B 14 -10.896 -13.085 9.794 1.00 0.00 C ATOM 889 CG ASP B 14 -10.669 -14.529 10.274 1.00 0.00 C ATOM 890 OD1 ASP B 14 -11.353 -15.450 9.765 1.00 0.00 O ATOM 891 OD2 ASP B 14 -9.817 -14.746 11.169 1.00 0.00 O ATOM 0 H ASP B 14 -8.405 -13.294 9.648 1.00 0.00 H new ATOM 0 HA ASP B 14 -10.496 -13.310 7.687 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -10.617 -12.395 10.591 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -11.958 -12.935 9.600 1.00 0.00 H new ATOM 896 N ASP B 15 -9.330 -10.409 8.604 1.00 0.00 N ATOM 897 CA ASP B 15 -9.252 -8.960 8.385 1.00 0.00 C ATOM 898 C ASP B 15 -8.387 -8.581 7.161 1.00 0.00 C ATOM 899 O ASP B 15 -7.789 -7.504 7.117 1.00 0.00 O ATOM 900 CB ASP B 15 -8.782 -8.292 9.688 1.00 0.00 C ATOM 901 CG ASP B 15 -9.547 -8.794 10.924 1.00 0.00 C ATOM 902 OD1 ASP B 15 -10.719 -8.387 11.113 1.00 0.00 O ATOM 903 OD2 ASP B 15 -8.986 -9.608 11.696 1.00 0.00 O ATOM 0 H ASP B 15 -8.546 -10.747 9.162 1.00 0.00 H new ATOM 0 HA ASP B 15 -10.244 -8.584 8.135 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.717 -8.480 9.824 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.906 -7.212 9.603 1.00 0.00 H new ATOM 908 N ASN B 16 -8.248 -9.508 6.204 1.00 0.00 N ATOM 909 CA ASN B 16 -7.215 -9.520 5.163 1.00 0.00 C ATOM 910 C ASN B 16 -7.110 -8.249 4.297 1.00 0.00 C ATOM 911 O ASN B 16 -8.097 -7.612 3.914 1.00 0.00 O ATOM 912 CB ASN B 16 -7.361 -10.778 4.293 1.00 0.00 C ATOM 913 CG ASN B 16 -8.761 -10.954 3.722 1.00 0.00 C ATOM 914 OD1 ASN B 16 -9.191 -10.264 2.809 1.00 0.00 O ATOM 915 ND2 ASN B 16 -9.527 -11.870 4.266 1.00 0.00 N ATOM 0 H ASN B 16 -8.881 -10.305 6.132 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.269 -9.538 5.704 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.645 -10.730 3.473 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -7.106 -11.655 4.888 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -10.479 -12.005 3.927 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -9.170 -12.447 5.028 1.00 0.00 H new ATOM 922 N LEU B 17 -5.861 -7.921 3.964 1.00 0.00 N ATOM 923 CA LEU B 17 -5.417 -6.724 3.255 1.00 0.00 C ATOM 924 C LEU B 17 -5.519 -6.892 1.737 1.00 0.00 C ATOM 925 O LEU B 17 -5.612 -8.010 1.233 1.00 0.00 O ATOM 926 CB LEU B 17 -3.987 -6.381 3.730 1.00 0.00 C ATOM 927 CG LEU B 17 -3.860 -6.254 5.256 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.414 -5.943 5.616 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.809 -5.189 5.797 1.00 0.00 C ATOM 0 H LEU B 17 -5.078 -8.530 4.201 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.074 -5.886 3.490 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.302 -7.153 3.380 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.675 -5.444 3.269 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.143 -7.199 5.720 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.320 -5.852 6.698 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.770 -6.748 5.262 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.115 -5.006 5.146 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.699 -5.119 6.879 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.571 -4.226 5.345 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.836 -5.460 5.553 1.00 0.00 H new ATOM 941 N LYS B 18 -5.591 -5.781 0.995 1.00 0.00 N ATOM 942 CA LYS B 18 -5.908 -5.798 -0.445 1.00 0.00 C ATOM 943 C LYS B 18 -5.045 -4.829 -1.268 1.00 0.00 C ATOM 944 O LYS B 18 -4.637 -3.776 -0.776 1.00 0.00 O ATOM 945 CB LYS B 18 -7.423 -5.592 -0.645 1.00 0.00 C ATOM 946 CG LYS B 18 -8.256 -6.617 0.147 1.00 0.00 C ATOM 947 CD LYS B 18 -9.765 -6.504 -0.069 1.00 0.00 C ATOM 948 CE LYS B 18 -10.483 -7.629 0.694 1.00 0.00 C ATOM 949 NZ LYS B 18 -10.403 -7.484 2.174 1.00 0.00 N ATOM 0 H LYS B 18 -5.432 -4.846 1.370 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.647 -6.780 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.696 -4.584 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.663 -5.672 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.935 -7.621 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.043 -6.497 1.209 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.120 -5.533 0.277 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.996 -6.568 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.531 -7.650 0.394 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.050 -8.587 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -10.990 -8.214 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -9.415 -7.594 2.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -10.748 -6.542 2.450 1.00 0.00 H new ATOM 963 N LEU B 19 -4.750 -5.209 -2.516 1.00 0.00 N ATOM 964 CA LEU B 19 -3.750 -4.576 -3.390 1.00 0.00 C ATOM 965 C LEU B 19 -4.157 -3.174 -3.886 1.00 0.00 C ATOM 966 O LEU B 19 -5.330 -2.798 -3.875 1.00 0.00 O ATOM 967 CB LEU B 19 -3.387 -5.589 -4.503 1.00 0.00 C ATOM 968 CG LEU B 19 -2.084 -5.312 -5.293 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.326 -6.612 -5.559 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.371 -4.680 -6.657 1.00 0.00 C ATOM 0 H LEU B 19 -5.218 -5.996 -2.965 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.847 -4.353 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.308 -6.578 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.214 -5.627 -5.212 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.495 -4.630 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.414 -6.394 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.069 -7.084 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -1.954 -7.287 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.432 -4.501 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -2.992 -5.354 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.894 -3.734 -6.517 1.00 0.00 H new ATOM 982 N ALA B 20 -3.175 -2.382 -4.311 1.00 0.00 N ATOM 983 CA ALA B 20 -3.344 -0.955 -4.599 1.00 0.00 C ATOM 984 C ALA B 20 -4.173 -0.689 -5.875 1.00 0.00 C ATOM 985 O ALA B 20 -3.926 -1.294 -6.919 1.00 0.00 O ATOM 986 CB ALA B 20 -1.961 -0.292 -4.652 1.00 0.00 C ATOM 0 H ALA B 20 -2.224 -2.716 -4.468 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.926 -0.507 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.075 0.771 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.460 -0.417 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.364 -0.758 -5.436 1.00 0.00 H new ATOM 992 N GLY B 21 -5.159 0.217 -5.798 1.00 0.00 N ATOM 993 CA GLY B 21 -6.072 0.545 -6.907 1.00 0.00 C ATOM 994 C GLY B 21 -5.650 1.807 -7.665 1.00 0.00 C ATOM 995 O GLY B 21 -5.506 1.790 -8.890 1.00 0.00 O ATOM 0 H GLY B 21 -5.349 0.752 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -6.111 -0.295 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -7.080 0.681 -6.515 1.00 0.00 H new ATOM 999 N GLY B 22 -5.409 2.882 -6.912 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.888 4.169 -7.373 1.00 0.00 C ATOM 1001 C GLY B 22 -5.888 5.327 -7.250 1.00 0.00 C ATOM 1002 O GLY B 22 -6.164 6.006 -8.241 1.00 0.00 O ATOM 0 H GLY B 22 -5.582 2.877 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -3.993 4.413 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.584 4.074 -8.415 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.464 5.538 -6.054 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.618 6.447 -5.851 1.00 0.00 C ATOM 1008 C LYS B 23 -7.264 7.937 -5.704 1.00 0.00 C ATOM 1009 O LYS B 23 -8.038 8.795 -6.133 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.480 5.980 -4.663 1.00 0.00 C ATOM 1011 CG LYS B 23 -8.948 4.517 -4.785 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.155 4.190 -3.890 1.00 0.00 C ATOM 1013 CE LYS B 23 -9.931 4.543 -2.413 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.083 4.129 -1.570 1.00 0.00 N ATOM 0 H LYS B 23 -6.146 5.085 -5.197 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.188 6.381 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.909 6.096 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.353 6.627 -4.580 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.208 4.311 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.122 3.855 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.027 4.731 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.381 3.127 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.024 4.055 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.775 5.617 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.897 4.383 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.944 4.614 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.216 3.100 -1.645 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.112 8.245 -5.102 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.581 9.599 -4.861 1.00 0.00 C ATOM 1030 C LEU B 24 -4.046 9.549 -4.794 1.00 0.00 C ATOM 1031 O LEU B 24 -3.499 8.482 -4.526 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.176 10.148 -3.547 1.00 0.00 C ATOM 1033 CG LEU B 24 -6.001 11.662 -3.306 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.643 12.517 -4.402 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.667 12.019 -1.976 1.00 0.00 C ATOM 0 H LEU B 24 -5.487 7.520 -4.749 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.863 10.264 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.241 9.918 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.721 9.613 -2.714 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.931 11.871 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.487 13.572 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.187 12.279 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.712 12.309 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.554 13.087 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.727 11.769 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.195 11.456 -1.170 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.350 10.668 -5.016 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.875 10.713 -5.093 1.00 0.00 C ATOM 1049 C VAL B 25 -1.205 10.894 -3.727 1.00 0.00 C ATOM 1050 O VAL B 25 -1.607 11.710 -2.895 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.374 11.776 -6.095 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.144 11.974 -6.007 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.703 11.329 -7.524 1.00 0.00 C ATOM 0 H VAL B 25 -3.791 11.578 -5.149 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.576 9.733 -5.465 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.871 12.714 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.455 12.730 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.411 12.300 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.647 11.033 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.349 12.080 -8.231 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.213 10.377 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.782 11.212 -7.629 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.154 10.094 -3.540 1.00 0.00 N ATOM 1064 CA LEU B 26 0.782 10.061 -2.422 1.00 0.00 C ATOM 1065 C LEU B 26 2.235 10.042 -2.931 1.00 0.00 C ATOM 1066 O LEU B 26 2.508 9.666 -4.068 1.00 0.00 O ATOM 1067 CB LEU B 26 0.438 8.902 -1.466 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.835 9.193 -0.639 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.122 8.721 -1.320 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.817 8.490 0.709 1.00 0.00 C ATOM 0 H LEU B 26 0.083 9.387 -4.236 1.00 0.00 H new ATOM 0 HA LEU B 26 0.685 10.974 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.295 7.987 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.276 8.727 -0.792 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.829 10.278 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.977 8.956 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.232 9.226 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.075 7.644 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.731 8.724 1.254 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.751 7.413 0.557 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.045 8.828 1.284 1.00 0.00 H new ATOM 1082 N SER B 27 3.193 10.461 -2.105 1.00 0.00 N ATOM 1083 CA SER B 27 4.631 10.259 -2.355 1.00 0.00 C ATOM 1084 C SER B 27 5.127 9.066 -1.537 1.00 0.00 C ATOM 1085 O SER B 27 4.326 8.394 -0.886 1.00 0.00 O ATOM 1086 CB SER B 27 5.383 11.548 -2.020 1.00 0.00 C ATOM 1087 OG SER B 27 6.724 11.465 -2.472 1.00 0.00 O ATOM 0 H SER B 27 2.997 10.955 -1.234 1.00 0.00 H new ATOM 0 HA SER B 27 4.813 10.032 -3.405 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.886 12.399 -2.487 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.364 11.719 -0.944 1.00 0.00 H new ATOM 0 HG SER B 27 7.195 12.296 -2.254 1.00 0.00 H new ATOM 1093 N LYS B 28 6.441 8.810 -1.522 1.00 0.00 N ATOM 1094 CA LYS B 28 7.110 7.719 -0.782 1.00 0.00 C ATOM 1095 C LYS B 28 6.590 7.621 0.657 1.00 0.00 C ATOM 1096 O LYS B 28 6.196 6.547 1.132 1.00 0.00 O ATOM 1097 CB LYS B 28 8.623 8.030 -0.824 1.00 0.00 C ATOM 1098 CG LYS B 28 9.505 7.004 -0.098 1.00 0.00 C ATOM 1099 CD LYS B 28 10.981 7.421 -0.006 1.00 0.00 C ATOM 1100 CE LYS B 28 11.686 7.505 -1.367 1.00 0.00 C ATOM 1101 NZ LYS B 28 13.111 7.894 -1.205 1.00 0.00 N ATOM 0 H LYS B 28 7.102 9.381 -2.048 1.00 0.00 H new ATOM 0 HA LYS B 28 6.903 6.750 -1.237 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.940 8.090 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.791 9.012 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.116 6.850 0.908 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.437 6.047 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.045 8.391 0.487 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.512 6.708 0.625 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.624 6.542 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.177 8.231 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.566 7.944 -2.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.167 8.824 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.600 7.187 -0.620 1.00 0.00 H new ATOM 1115 N GLU B 29 6.518 8.785 1.300 1.00 0.00 N ATOM 1116 CA GLU B 29 6.127 8.917 2.699 1.00 0.00 C ATOM 1117 C GLU B 29 4.622 8.683 2.884 1.00 0.00 C ATOM 1118 O GLU B 29 4.200 7.985 3.809 1.00 0.00 O ATOM 1119 CB GLU B 29 6.517 10.302 3.235 1.00 0.00 C ATOM 1120 CG GLU B 29 8.000 10.676 3.098 1.00 0.00 C ATOM 1121 CD GLU B 29 8.926 9.747 3.907 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.873 9.776 5.161 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.729 9.006 3.293 1.00 0.00 O ATOM 0 H GLU B 29 6.734 9.677 0.854 1.00 0.00 H new ATOM 0 HA GLU B 29 6.659 8.153 3.266 1.00 0.00 H new ATOM 0 HB2 GLU B 29 5.922 11.053 2.715 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.244 10.353 4.289 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.284 10.639 2.046 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.143 11.704 3.431 1.00 0.00 H new ATOM 1130 N GLY B 30 3.793 9.204 1.971 1.00 0.00 N ATOM 1131 CA GLY B 30 2.367 8.942 1.990 1.00 0.00 C ATOM 1132 C GLY B 30 2.044 7.466 1.759 1.00 0.00 C ATOM 1133 O GLY B 30 1.250 6.898 2.503 1.00 0.00 O ATOM 0 H GLY B 30 4.097 9.811 1.210 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.955 9.256 2.949 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.879 9.543 1.222 1.00 0.00 H new ATOM 1137 N ALA B 31 2.686 6.805 0.791 1.00 0.00 N ATOM 1138 CA ALA B 31 2.427 5.396 0.508 1.00 0.00 C ATOM 1139 C ALA B 31 2.804 4.543 1.730 1.00 0.00 C ATOM 1140 O ALA B 31 2.034 3.673 2.156 1.00 0.00 O ATOM 1141 CB ALA B 31 3.179 4.976 -0.767 1.00 0.00 C ATOM 0 H ALA B 31 3.392 7.229 0.189 1.00 0.00 H new ATOM 0 HA ALA B 31 1.365 5.236 0.321 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.983 3.924 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.838 5.581 -1.607 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.249 5.125 -0.624 1.00 0.00 H new ATOM 1147 N GLU B 32 3.955 4.829 2.356 1.00 0.00 N ATOM 1148 CA GLU B 32 4.276 4.087 3.590 1.00 0.00 C ATOM 1149 C GLU B 32 3.329 4.425 4.764 1.00 0.00 C ATOM 1150 O GLU B 32 3.046 3.567 5.604 1.00 0.00 O ATOM 1151 CB GLU B 32 5.738 4.183 4.001 1.00 0.00 C ATOM 1152 CG GLU B 32 6.160 5.534 4.567 1.00 0.00 C ATOM 1153 CD GLU B 32 7.567 5.452 5.192 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.553 5.194 4.457 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.695 5.626 6.429 1.00 0.00 O ATOM 0 H GLU B 32 4.641 5.521 2.057 1.00 0.00 H new ATOM 0 HA GLU B 32 4.102 3.042 3.333 1.00 0.00 H new ATOM 0 HB2 GLU B 32 5.942 3.414 4.746 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.359 3.959 3.134 1.00 0.00 H new ATOM 0 HG2 GLU B 32 6.152 6.283 3.775 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.441 5.858 5.320 1.00 0.00 H new ATOM 1162 N GLN B 33 2.786 5.653 4.816 1.00 0.00 N ATOM 1163 CA GLN B 33 1.772 6.016 5.811 1.00 0.00 C ATOM 1164 C GLN B 33 0.469 5.225 5.591 1.00 0.00 C ATOM 1165 O GLN B 33 -0.167 4.790 6.558 1.00 0.00 O ATOM 1166 CB GLN B 33 1.562 7.544 5.819 1.00 0.00 C ATOM 1167 CG GLN B 33 0.473 8.060 6.776 1.00 0.00 C ATOM 1168 CD GLN B 33 0.744 7.756 8.248 1.00 0.00 C ATOM 1169 OE1 GLN B 33 1.371 8.523 8.968 1.00 0.00 O ATOM 1170 NE2 GLN B 33 0.281 6.635 8.758 1.00 0.00 N ATOM 0 H GLN B 33 3.035 6.409 4.178 1.00 0.00 H new ATOM 0 HA GLN B 33 2.125 5.737 6.804 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.506 8.021 6.081 1.00 0.00 H new ATOM 0 HB3 GLN B 33 1.313 7.864 4.807 1.00 0.00 H new ATOM 0 HG2 GLN B 33 0.375 9.138 6.651 1.00 0.00 H new ATOM 0 HG3 GLN B 33 -0.483 7.618 6.494 1.00 0.00 H new ATOM 0 HE21 GLN B 33 -0.243 5.986 8.171 1.00 0.00 H new ATOM 0 HE22 GLN B 33 0.446 6.415 9.740 1.00 0.00 H new ATOM 1179 N ILE B 34 0.117 4.940 4.331 1.00 0.00 N ATOM 1180 CA ILE B 34 -0.940 3.970 4.028 1.00 0.00 C ATOM 1181 C ILE B 34 -0.542 2.591 4.542 1.00 0.00 C ATOM 1182 O ILE B 34 -1.392 1.946 5.134 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.329 3.897 2.542 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.818 5.267 2.055 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.446 2.840 2.416 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.981 5.303 0.531 1.00 0.00 C ATOM 0 H ILE B 34 0.547 5.365 3.510 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.832 4.325 4.545 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.473 3.620 1.927 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.771 5.502 2.528 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.110 6.037 2.363 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.752 2.757 1.373 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.075 1.876 2.764 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.301 3.140 3.022 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.329 6.290 0.225 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -1.022 5.094 0.057 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.708 4.551 0.225 1.00 0.00 H new ATOM 1198 N ILE B 35 0.708 2.128 4.397 1.00 0.00 N ATOM 1199 CA ILE B 35 1.089 0.838 5.016 1.00 0.00 C ATOM 1200 C ILE B 35 0.847 0.795 6.517 1.00 0.00 C ATOM 1201 O ILE B 35 0.372 -0.217 7.029 1.00 0.00 O ATOM 1202 CB ILE B 35 2.533 0.398 4.699 1.00 0.00 C ATOM 1203 CG1 ILE B 35 2.462 -0.896 3.868 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.495 0.153 5.883 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.816 -2.114 4.532 1.00 0.00 C ATOM 0 H ILE B 35 1.450 2.600 3.880 1.00 0.00 H new ATOM 0 HA ILE B 35 0.418 0.118 4.547 1.00 0.00 H new ATOM 0 HB ILE B 35 2.964 1.254 4.181 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.914 -0.680 2.951 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.477 -1.167 3.577 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.470 -0.150 5.503 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.600 1.070 6.462 1.00 0.00 H new ATOM 0 HG23 ILE B 35 3.094 -0.635 6.521 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.830 -2.956 3.840 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.372 -2.375 5.433 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.785 -1.880 4.797 1.00 0.00 H new ATOM 1217 N SER B 36 1.128 1.895 7.206 1.00 0.00 N ATOM 1218 CA SER B 36 0.856 2.000 8.637 1.00 0.00 C ATOM 1219 C SER B 36 -0.649 1.893 8.899 1.00 0.00 C ATOM 1220 O SER B 36 -1.046 1.124 9.775 1.00 0.00 O ATOM 1221 CB SER B 36 1.447 3.294 9.194 1.00 0.00 C ATOM 1222 OG SER B 36 2.856 3.177 9.306 1.00 0.00 O ATOM 0 H SER B 36 1.546 2.730 6.796 1.00 0.00 H new ATOM 0 HA SER B 36 1.337 1.172 9.158 1.00 0.00 H new ATOM 0 HB2 SER B 36 1.194 4.129 8.541 1.00 0.00 H new ATOM 0 HB3 SER B 36 1.013 3.510 10.170 1.00 0.00 H new ATOM 0 HG SER B 36 3.226 4.012 9.662 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.497 2.546 8.090 1.00 0.00 N ATOM 1229 CA GLU B 37 -2.958 2.376 8.192 1.00 0.00 C ATOM 1230 C GLU B 37 -3.415 0.945 7.833 1.00 0.00 C ATOM 1231 O GLU B 37 -4.196 0.336 8.563 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.686 3.409 7.314 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.507 4.863 7.775 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.192 5.133 9.130 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -5.420 5.392 9.151 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -3.505 5.099 10.180 1.00 0.00 O ATOM 0 H GLU B 37 -1.200 3.194 7.361 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.224 2.543 9.236 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.325 3.317 6.289 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.750 3.172 7.300 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.444 5.088 7.856 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.919 5.535 7.022 1.00 0.00 H new ATOM 1243 N ILE B 38 -2.901 0.358 6.751 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.274 -0.980 6.280 1.00 0.00 C ATOM 1245 C ILE B 38 -2.907 -2.047 7.322 1.00 0.00 C ATOM 1246 O ILE B 38 -3.767 -2.783 7.818 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.632 -1.186 4.884 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.489 -0.456 3.822 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.448 -2.645 4.518 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.024 -0.622 2.365 1.00 0.00 C ATOM 0 H ILE B 38 -2.199 0.808 6.164 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.353 -1.081 6.162 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.629 -0.761 4.916 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.515 -0.815 3.900 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.504 0.607 4.061 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -1.994 -2.718 3.530 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.800 -3.125 5.251 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.417 -3.143 4.510 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.693 -0.071 1.704 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.011 -0.235 2.260 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.038 -1.678 2.097 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.643 -2.082 7.741 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.196 -3.018 8.766 1.00 0.00 C ATOM 1264 C GLN B 39 -1.899 -2.768 10.112 1.00 0.00 C ATOM 1265 O GLN B 39 -2.221 -3.731 10.805 1.00 0.00 O ATOM 1266 CB GLN B 39 0.324 -2.972 8.917 1.00 0.00 C ATOM 1267 CG GLN B 39 1.097 -3.680 7.781 1.00 0.00 C ATOM 1268 CD GLN B 39 2.450 -4.240 8.220 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.005 -3.932 9.266 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.009 -5.148 7.459 1.00 0.00 N ATOM 0 H GLN B 39 -0.910 -1.470 7.384 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.474 -4.021 8.441 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.642 -1.930 8.963 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.597 -3.430 9.867 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.486 -4.493 7.389 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.252 -2.975 6.964 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.566 -5.422 6.582 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.888 -5.581 7.743 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.240 -1.515 10.438 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.146 -1.217 11.563 1.00 0.00 C ATOM 1281 C ASN B 40 -4.505 -1.930 11.428 1.00 0.00 C ATOM 1282 O ASN B 40 -4.976 -2.512 12.403 1.00 0.00 O ATOM 1283 CB ASN B 40 -3.318 0.305 11.747 1.00 0.00 C ATOM 1284 CG ASN B 40 -4.650 0.716 12.365 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -5.564 1.169 11.689 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -4.839 0.527 13.648 1.00 0.00 N ATOM 0 H ASN B 40 -1.905 -0.690 9.942 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.678 -1.614 12.464 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -2.509 0.677 12.376 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.216 0.790 10.776 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -5.739 0.757 14.070 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -4.086 0.150 14.224 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.133 -1.943 10.249 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.419 -2.620 10.063 1.00 0.00 C ATOM 1295 C GLN B 41 -6.285 -4.147 10.175 1.00 0.00 C ATOM 1296 O GLN B 41 -7.138 -4.776 10.802 1.00 0.00 O ATOM 1297 CB GLN B 41 -7.045 -2.187 8.732 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.361 -0.683 8.694 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.518 -0.276 9.602 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -9.685 -0.475 9.295 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -8.246 0.307 10.752 1.00 0.00 N ATOM 0 H GLN B 41 -4.771 -1.492 9.409 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.090 -2.320 10.868 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.365 -2.433 7.917 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.962 -2.752 8.564 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.470 -0.126 8.984 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -7.597 -0.396 7.669 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -7.277 0.479 11.020 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.004 0.586 11.374 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.189 -4.746 9.684 1.00 0.00 N ATOM 1311 CA LEU B 42 -4.918 -6.179 9.940 1.00 0.00 C ATOM 1312 C LEU B 42 -4.713 -6.467 11.442 1.00 0.00 C ATOM 1313 O LEU B 42 -5.187 -7.484 11.951 1.00 0.00 O ATOM 1314 CB LEU B 42 -3.730 -6.644 9.070 1.00 0.00 C ATOM 1315 CG LEU B 42 -3.574 -8.146 8.731 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.101 -9.004 9.903 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -4.834 -8.761 8.138 1.00 0.00 C ATOM 0 H LEU B 42 -4.484 -4.275 9.117 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.792 -6.763 9.652 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.784 -6.100 8.127 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.815 -6.325 9.570 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.789 -8.152 7.974 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.017 -10.043 9.583 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.128 -8.650 10.244 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -3.820 -8.933 10.719 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -4.658 -9.815 7.923 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -5.654 -8.668 8.850 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.093 -8.241 7.216 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.061 -5.556 12.173 1.00 0.00 N ATOM 1330 CA GLN B 43 -3.731 -5.738 13.597 1.00 0.00 C ATOM 1331 C GLN B 43 -4.902 -5.479 14.563 1.00 0.00 C ATOM 1332 O GLN B 43 -5.020 -6.177 15.574 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.549 -4.828 13.975 1.00 0.00 C ATOM 1334 CG GLN B 43 -1.208 -5.372 13.466 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.057 -4.406 13.747 1.00 0.00 C ATOM 1336 OE1 GLN B 43 0.519 -3.803 12.852 1.00 0.00 O ATOM 1337 NE2 GLN B 43 0.349 -4.242 14.988 1.00 0.00 N ATOM 0 H GLN B 43 -3.744 -4.664 11.793 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.473 -6.791 13.709 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -2.714 -3.832 13.563 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -2.507 -4.722 15.059 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -1.001 -6.331 13.941 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -1.274 -5.556 12.394 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -0.119 -4.737 15.747 1.00 0.00 H new ATOM 0 HE22 GLN B 43 1.132 -3.620 15.191 1.00 0.00 H new