USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 26 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.8) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -7.92! C(o=-7.9!,f=-6.6!) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 9 THR OG1 : rot -155:sc= -1.49! USER MOD Set 3.2: A 11 ASN : amide:sc= -1.54 K(o=-3,f=-5.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 0.804 (180deg=-0.888) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.634) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 SER OG : rot -9:sc= 0.957 USER MOD Single : A 29 THR OG1 : rot -44:sc= 0.207 USER MOD Single : A 30 THR OG1 : rot -87:sc= 1.64 USER MOD Single : A 31 TYR OH : rot 150:sc= -0.422 USER MOD Single : A 32 THR OG1 : rot -12:sc= 0.0493 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.2) USER MOD Single : A 43 ASN : amide:sc= -1.39 K(o=-1.4,f=-5.1!) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= -0.0999 (180deg=-0.656) USER MOD Single : A 53 SER OG : rot -33:sc= 0.0987! USER MOD Single : A 62 SER OG : rot 1:sc= -0.139! USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -1.09! (180deg=-3.3!) USER MOD Single : A 68 ASN : amide:sc= -0.624 K(o=-0.62,f=-0.0052) USER MOD Single : A 70 ASN : amide:sc= -8.52! C(o=-8.5!,f=-5.3!) USER MOD Single : A 72 ASN : amide:sc= -0.895 K(o=-0.9,f=-0.067) USER MOD Single : A 77 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.16) USER MOD Single : A 80 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.72) USER MOD Single : A 81 THR OG1 : rot 142:sc= -2.58! USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= -0.703 (180deg=-1.3) USER MOD Single : A 85 SER OG : rot -106:sc= 1.14 USER MOD Single : A 86 ASN : amide:sc= -0.987 K(o=-0.99,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.016 -1.481 -1.107 1.00 1.00 N ATOM 2 CA MET A 1 4.425 -1.206 -2.443 1.00 1.00 C ATOM 3 C MET A 1 4.834 0.188 -2.890 1.00 1.00 C ATOM 4 O MET A 1 5.402 0.363 -3.968 1.00 1.00 O ATOM 5 CB MET A 1 2.899 -1.302 -2.355 1.00 1.00 C ATOM 6 CG MET A 1 2.294 -1.164 -3.754 1.00 1.00 C ATOM 7 SD MET A 1 0.500 -1.382 -3.659 1.00 1.00 S ATOM 8 CE MET A 1 0.165 -1.285 -5.434 1.00 1.00 C ATOM 0 H1 MET A 1 5.350 -2.465 -1.071 1.00 1.00 H new ATOM 0 H2 MET A 1 5.816 -0.837 -0.942 1.00 1.00 H new ATOM 0 H3 MET A 1 4.296 -1.333 -0.372 1.00 1.00 H new ATOM 0 HA MET A 1 4.785 -1.937 -3.166 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.609 -2.256 -1.915 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.512 -0.520 -1.702 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.531 -0.184 -4.169 1.00 1.00 H new ATOM 0 HG3 MET A 1 2.727 -1.907 -4.424 1.00 1.00 H new ATOM 0 HE1 MET A 1 -0.905 -1.397 -5.609 1.00 1.00 H new ATOM 0 HE2 MET A 1 0.495 -0.318 -5.814 1.00 1.00 H new ATOM 0 HE3 MET A 1 0.702 -2.081 -5.950 1.00 1.00 H new ATOM 20 N GLU A 2 4.534 1.185 -2.055 1.00 1.00 N ATOM 21 CA GLU A 2 4.867 2.581 -2.375 1.00 1.00 C ATOM 22 C GLU A 2 5.297 3.339 -1.125 1.00 1.00 C ATOM 23 O GLU A 2 4.716 3.171 -0.052 1.00 1.00 O ATOM 24 CB GLU A 2 3.646 3.273 -2.998 1.00 1.00 C ATOM 25 CG GLU A 2 2.450 3.179 -2.047 1.00 1.00 C ATOM 26 CD GLU A 2 1.208 3.759 -2.712 1.00 1.00 C ATOM 27 OE1 GLU A 2 1.024 3.518 -3.894 1.00 1.00 O ATOM 28 OE2 GLU A 2 0.459 4.439 -2.030 1.00 1.00 O ATOM 0 H GLU A 2 4.065 1.057 -1.158 1.00 1.00 H new ATOM 0 HA GLU A 2 5.695 2.582 -3.083 1.00 1.00 H new ATOM 0 HB2 GLU A 2 3.876 4.318 -3.204 1.00 1.00 H new ATOM 0 HB3 GLU A 2 3.400 2.806 -3.952 1.00 1.00 H new ATOM 0 HG2 GLU A 2 2.274 2.139 -1.773 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.665 3.719 -1.125 1.00 1.00 H new ATOM 35 N ILE A 3 6.326 4.172 -1.270 1.00 1.00 N ATOM 36 CA ILE A 3 6.833 4.949 -0.141 1.00 1.00 C ATOM 37 C ILE A 3 5.695 5.703 0.545 1.00 1.00 C ATOM 38 O ILE A 3 4.737 6.126 -0.102 1.00 1.00 O ATOM 39 CB ILE A 3 7.901 5.945 -0.616 1.00 1.00 C ATOM 40 CG1 ILE A 3 7.353 6.758 -1.802 1.00 1.00 C ATOM 41 CG2 ILE A 3 9.161 5.183 -1.046 1.00 1.00 C ATOM 42 CD1 ILE A 3 8.292 7.927 -2.103 1.00 1.00 C ATOM 0 H ILE A 3 6.821 4.325 -2.149 1.00 1.00 H new ATOM 0 HA ILE A 3 7.281 4.259 0.574 1.00 1.00 H new ATOM 0 HB ILE A 3 8.154 6.623 0.199 1.00 1.00 H new ATOM 0 HG12 ILE A 3 7.258 6.119 -2.680 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.355 7.131 -1.570 1.00 1.00 H new ATOM 0 HG21 ILE A 3 9.918 5.892 -1.383 1.00 1.00 H new ATOM 0 HG22 ILE A 3 9.548 4.613 -0.201 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.914 4.502 -1.860 1.00 1.00 H new ATOM 0 HD11 ILE A 3 7.901 8.501 -2.943 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.364 8.571 -1.226 1.00 1.00 H new ATOM 0 HD13 ILE A 3 9.281 7.544 -2.354 1.00 1.00 H new ATOM 54 N ILE A 4 5.810 5.860 1.868 1.00 1.00 N ATOM 55 CA ILE A 4 4.795 6.561 2.668 1.00 1.00 C ATOM 56 C ILE A 4 5.427 7.715 3.431 1.00 1.00 C ATOM 57 O ILE A 4 4.865 8.807 3.503 1.00 1.00 O ATOM 58 CB ILE A 4 4.156 5.575 3.667 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.440 4.418 2.909 1.00 1.00 C ATOM 60 CG2 ILE A 4 3.152 6.318 4.578 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.046 4.838 2.388 1.00 1.00 C ATOM 0 H ILE A 4 6.599 5.510 2.411 1.00 1.00 H new ATOM 0 HA ILE A 4 4.031 6.956 1.999 1.00 1.00 H new ATOM 0 HB ILE A 4 4.945 5.147 4.286 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.058 4.097 2.071 1.00 1.00 H new ATOM 0 HG13 ILE A 4 3.335 3.560 3.574 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.706 5.613 5.280 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.672 7.100 5.131 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.368 6.766 3.967 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.585 3.999 1.866 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.417 5.133 3.228 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.152 5.678 1.702 1.00 1.00 H new ATOM 73 N ALA A 5 6.594 7.462 4.008 1.00 1.00 N ATOM 74 CA ALA A 5 7.294 8.487 4.772 1.00 1.00 C ATOM 75 C ALA A 5 8.751 8.101 4.967 1.00 1.00 C ATOM 76 O ALA A 5 9.074 6.936 5.205 1.00 1.00 O ATOM 77 CB ALA A 5 6.623 8.670 6.134 1.00 1.00 C ATOM 0 H ALA A 5 7.074 6.563 3.963 1.00 1.00 H new ATOM 0 HA ALA A 5 7.250 9.425 4.218 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.151 9.437 6.700 1.00 1.00 H new ATOM 0 HB2 ALA A 5 5.586 8.974 5.991 1.00 1.00 H new ATOM 0 HB3 ALA A 5 6.653 7.729 6.684 1.00 1.00 H new ATOM 83 N ILE A 6 9.629 9.096 4.871 1.00 1.00 N ATOM 84 CA ILE A 6 11.068 8.886 5.035 1.00 1.00 C ATOM 85 C ILE A 6 11.514 9.437 6.378 1.00 1.00 C ATOM 86 O ILE A 6 11.311 10.614 6.672 1.00 1.00 O ATOM 87 CB ILE A 6 11.837 9.606 3.909 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.299 9.161 2.510 1.00 1.00 C ATOM 89 CG2 ILE A 6 13.332 9.262 4.029 1.00 1.00 C ATOM 90 CD1 ILE A 6 10.244 10.150 1.997 1.00 1.00 C ATOM 0 H ILE A 6 9.368 10.063 4.679 1.00 1.00 H new ATOM 0 HA ILE A 6 11.278 7.817 4.989 1.00 1.00 H new ATOM 0 HB ILE A 6 11.695 10.682 4.005 1.00 1.00 H new ATOM 0 HG12 ILE A 6 12.124 9.100 1.800 1.00 1.00 H new ATOM 0 HG13 ILE A 6 10.866 8.163 2.582 1.00 1.00 H new ATOM 0 HG21 ILE A 6 13.886 9.766 3.237 1.00 1.00 H new ATOM 0 HG22 ILE A 6 13.704 9.592 4.999 1.00 1.00 H new ATOM 0 HG23 ILE A 6 13.466 8.184 3.936 1.00 1.00 H new ATOM 0 HD11 ILE A 6 9.882 9.823 1.022 1.00 1.00 H new ATOM 0 HD12 ILE A 6 9.411 10.190 2.699 1.00 1.00 H new ATOM 0 HD13 ILE A 6 10.689 11.141 1.905 1.00 1.00 H new ATOM 102 N SER A 7 12.130 8.579 7.191 1.00 1.00 N ATOM 103 CA SER A 7 12.615 8.991 8.513 1.00 1.00 C ATOM 104 C SER A 7 14.130 9.115 8.492 1.00 1.00 C ATOM 105 O SER A 7 14.845 8.113 8.534 1.00 1.00 O ATOM 106 CB SER A 7 12.211 7.947 9.553 1.00 1.00 C ATOM 107 OG SER A 7 10.793 7.900 9.641 1.00 1.00 O ATOM 0 H SER A 7 12.305 7.601 6.962 1.00 1.00 H new ATOM 0 HA SER A 7 12.176 9.955 8.769 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.603 6.969 9.275 1.00 1.00 H new ATOM 0 HB3 SER A 7 12.640 8.198 10.523 1.00 1.00 H new ATOM 0 HG SER A 7 10.529 7.230 10.306 1.00 1.00 H new ATOM 113 N GLU A 8 14.620 10.350 8.435 1.00 1.00 N ATOM 114 CA GLU A 8 16.055 10.588 8.416 1.00 1.00 C ATOM 115 C GLU A 8 16.646 10.253 9.775 1.00 1.00 C ATOM 116 O GLU A 8 15.940 10.267 10.782 1.00 1.00 O ATOM 117 CB GLU A 8 16.334 12.055 8.073 1.00 1.00 C ATOM 118 CG GLU A 8 15.884 12.350 6.637 1.00 1.00 C ATOM 119 CD GLU A 8 16.774 11.622 5.634 1.00 1.00 C ATOM 120 OE1 GLU A 8 17.982 11.773 5.726 1.00 1.00 O ATOM 121 OE2 GLU A 8 16.237 10.927 4.788 1.00 1.00 O ATOM 0 H GLU A 8 14.048 11.194 8.401 1.00 1.00 H new ATOM 0 HA GLU A 8 16.515 9.953 7.659 1.00 1.00 H new ATOM 0 HB2 GLU A 8 15.807 12.707 8.770 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.398 12.267 8.181 1.00 1.00 H new ATOM 0 HG2 GLU A 8 14.848 12.039 6.504 1.00 1.00 H new ATOM 0 HG3 GLU A 8 15.921 13.424 6.452 1.00 1.00 H new ATOM 128 N THR A 9 17.939 9.933 9.795 1.00 1.00 N ATOM 129 CA THR A 9 18.634 9.565 11.042 1.00 1.00 C ATOM 130 C THR A 9 19.956 10.334 11.149 1.00 1.00 C ATOM 131 O THR A 9 20.493 10.792 10.141 1.00 1.00 O ATOM 132 CB THR A 9 18.907 8.029 11.076 1.00 1.00 C ATOM 133 OG1 THR A 9 20.237 7.774 11.517 1.00 1.00 O ATOM 134 CG2 THR A 9 18.735 7.432 9.677 1.00 1.00 C ATOM 0 H THR A 9 18.532 9.919 8.965 1.00 1.00 H new ATOM 0 HA THR A 9 17.999 9.827 11.888 1.00 1.00 H new ATOM 0 HB THR A 9 18.196 7.572 11.764 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.532 6.903 11.179 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.928 6.360 9.713 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.717 7.606 9.330 1.00 1.00 H new ATOM 0 HG23 THR A 9 19.438 7.904 8.991 1.00 1.00 H new ATOM 142 N PRO A 10 20.490 10.477 12.345 1.00 1.00 N ATOM 143 CA PRO A 10 21.780 11.205 12.567 1.00 1.00 C ATOM 144 C PRO A 10 22.972 10.467 11.943 1.00 1.00 C ATOM 145 O PRO A 10 24.089 10.530 12.458 1.00 1.00 O ATOM 146 CB PRO A 10 21.892 11.277 14.112 1.00 1.00 C ATOM 147 CG PRO A 10 21.090 10.106 14.602 1.00 1.00 C ATOM 148 CD PRO A 10 19.925 9.972 13.618 1.00 1.00 C ATOM 0 HA PRO A 10 21.793 12.188 12.096 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.930 11.212 14.438 1.00 1.00 H new ATOM 0 HB3 PRO A 10 21.496 12.217 14.495 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.693 9.198 14.623 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.730 10.273 15.617 1.00 1.00 H new ATOM 0 HD2 PRO A 10 19.592 8.938 13.528 1.00 1.00 H new ATOM 0 HD3 PRO A 10 19.062 10.558 13.935 1.00 1.00 H new ATOM 156 N ASN A 11 22.735 9.777 10.822 1.00 1.00 N ATOM 157 CA ASN A 11 23.797 9.045 10.130 1.00 1.00 C ATOM 158 C ASN A 11 24.459 9.946 9.094 1.00 1.00 C ATOM 159 O ASN A 11 24.224 11.154 9.072 1.00 1.00 O ATOM 160 CB ASN A 11 23.203 7.824 9.428 1.00 1.00 C ATOM 161 CG ASN A 11 22.590 6.869 10.449 1.00 1.00 C ATOM 162 OD1 ASN A 11 21.637 6.154 10.138 1.00 1.00 O ATOM 163 ND2 ASN A 11 23.086 6.810 11.654 1.00 1.00 N ATOM 0 H ASN A 11 21.820 9.711 10.377 1.00 1.00 H new ATOM 0 HA ASN A 11 24.541 8.725 10.859 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.442 8.141 8.715 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.978 7.310 8.860 1.00 1.00 H new ATOM 0 HD21 ASN A 11 22.684 6.171 12.340 1.00 1.00 H new ATOM 0 HD22 ASN A 11 23.875 7.403 11.910 1.00 1.00 H new ATOM 170 N HIS A 12 25.298 9.351 8.239 1.00 1.00 N ATOM 171 CA HIS A 12 26.014 10.103 7.195 1.00 1.00 C ATOM 172 C HIS A 12 25.485 9.767 5.798 1.00 1.00 C ATOM 173 O HIS A 12 25.370 10.646 4.942 1.00 1.00 O ATOM 174 CB HIS A 12 27.505 9.759 7.267 1.00 1.00 C ATOM 175 CG HIS A 12 28.063 10.215 8.590 1.00 1.00 C ATOM 176 ND1 HIS A 12 28.237 9.348 9.659 1.00 1.00 N ATOM 177 CD2 HIS A 12 28.480 11.445 9.036 1.00 1.00 C ATOM 178 CE1 HIS A 12 28.739 10.062 10.683 1.00 1.00 C ATOM 179 NE2 HIS A 12 28.906 11.346 10.357 1.00 1.00 N ATOM 0 H HIS A 12 25.500 8.351 8.247 1.00 1.00 H new ATOM 0 HA HIS A 12 25.856 11.167 7.369 1.00 1.00 H new ATOM 0 HB2 HIS A 12 27.647 8.685 7.151 1.00 1.00 H new ATOM 0 HB3 HIS A 12 28.040 10.241 6.449 1.00 1.00 H new ATOM 0 HD2 HIS A 12 28.478 12.352 8.450 1.00 1.00 H new ATOM 0 HE1 HIS A 12 28.978 9.647 11.651 1.00 1.00 H new ATOM 0 HE2 HIS A 12 29.268 12.094 10.949 1.00 1.00 H new ATOM 188 N ASN A 13 25.181 8.488 5.568 1.00 1.00 N ATOM 189 CA ASN A 13 24.682 8.030 4.265 1.00 1.00 C ATOM 190 C ASN A 13 23.666 6.899 4.434 1.00 1.00 C ATOM 191 O ASN A 13 23.343 6.202 3.472 1.00 1.00 O ATOM 192 CB ASN A 13 25.863 7.551 3.415 1.00 1.00 C ATOM 193 CG ASN A 13 26.759 6.641 4.249 1.00 1.00 C ATOM 194 OD1 ASN A 13 26.294 6.014 5.202 1.00 1.00 O ATOM 195 ND2 ASN A 13 28.024 6.528 3.946 1.00 1.00 N ATOM 0 H ASN A 13 25.271 7.749 6.266 1.00 1.00 H new ATOM 0 HA ASN A 13 24.181 8.861 3.768 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.499 7.015 2.538 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.433 8.406 3.052 1.00 1.00 H new ATOM 0 HD21 ASN A 13 28.628 5.920 4.499 1.00 1.00 H new ATOM 0 HD22 ASN A 13 28.408 7.048 3.157 1.00 1.00 H new ATOM 202 N THR A 14 23.161 6.727 5.662 1.00 1.00 N ATOM 203 CA THR A 14 22.169 5.678 5.959 1.00 1.00 C ATOM 204 C THR A 14 20.849 6.307 6.397 1.00 1.00 C ATOM 205 O THR A 14 20.817 7.113 7.323 1.00 1.00 O ATOM 206 CB THR A 14 22.691 4.770 7.081 1.00 1.00 C ATOM 207 OG1 THR A 14 23.936 4.208 6.692 1.00 1.00 O ATOM 208 CG2 THR A 14 21.687 3.642 7.348 1.00 1.00 C ATOM 0 H THR A 14 23.420 7.298 6.467 1.00 1.00 H new ATOM 0 HA THR A 14 22.005 5.090 5.056 1.00 1.00 H new ATOM 0 HB THR A 14 22.820 5.360 7.989 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.272 3.629 7.408 1.00 1.00 H new ATOM 0 HG21 THR A 14 22.063 3.001 8.145 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.730 4.070 7.647 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.553 3.052 6.441 1.00 1.00 H new ATOM 216 N MET A 15 19.762 5.940 5.718 1.00 1.00 N ATOM 217 CA MET A 15 18.428 6.476 6.035 1.00 1.00 C ATOM 218 C MET A 15 17.391 5.359 6.002 1.00 1.00 C ATOM 219 O MET A 15 17.524 4.403 5.239 1.00 1.00 O ATOM 220 CB MET A 15 18.057 7.551 5.004 1.00 1.00 C ATOM 221 CG MET A 15 18.073 6.956 3.557 1.00 1.00 C ATOM 222 SD MET A 15 16.379 6.856 2.896 1.00 1.00 S ATOM 223 CE MET A 15 16.362 8.424 1.988 1.00 1.00 C ATOM 0 H MET A 15 19.774 5.275 4.945 1.00 1.00 H new ATOM 0 HA MET A 15 18.445 6.912 7.034 1.00 1.00 H new ATOM 0 HB2 MET A 15 17.068 7.951 5.228 1.00 1.00 H new ATOM 0 HB3 MET A 15 18.759 8.382 5.069 1.00 1.00 H new ATOM 0 HG2 MET A 15 18.688 7.579 2.907 1.00 1.00 H new ATOM 0 HG3 MET A 15 18.525 5.964 3.569 1.00 1.00 H new ATOM 0 HE1 MET A 15 15.394 8.553 1.503 1.00 1.00 H new ATOM 0 HE2 MET A 15 16.534 9.248 2.681 1.00 1.00 H new ATOM 0 HE3 MET A 15 17.148 8.416 1.233 1.00 1.00 H new ATOM 233 N LYS A 16 16.354 5.481 6.842 1.00 1.00 N ATOM 234 CA LYS A 16 15.288 4.469 6.914 1.00 1.00 C ATOM 235 C LYS A 16 14.063 4.937 6.135 1.00 1.00 C ATOM 236 O LYS A 16 13.672 6.100 6.227 1.00 1.00 O ATOM 237 CB LYS A 16 14.893 4.210 8.394 1.00 1.00 C ATOM 238 CG LYS A 16 14.296 2.786 8.565 1.00 1.00 C ATOM 239 CD LYS A 16 15.416 1.756 8.789 1.00 1.00 C ATOM 240 CE LYS A 16 14.803 0.362 8.893 1.00 1.00 C ATOM 241 NZ LYS A 16 15.883 -0.645 9.104 1.00 1.00 N ATOM 0 H LYS A 16 16.230 6.267 7.480 1.00 1.00 H new ATOM 0 HA LYS A 16 15.660 3.544 6.475 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.769 4.321 9.034 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.166 4.955 8.717 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.607 2.773 9.410 1.00 1.00 H new ATOM 0 HG3 LYS A 16 13.719 2.518 7.680 1.00 1.00 H new ATOM 0 HD2 LYS A 16 16.129 1.792 7.966 1.00 1.00 H new ATOM 0 HD3 LYS A 16 15.967 1.993 9.699 1.00 1.00 H new ATOM 0 HE2 LYS A 16 14.093 0.327 9.719 1.00 1.00 H new ATOM 0 HE3 LYS A 16 14.247 0.129 7.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 15.576 -1.566 8.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 16.744 -0.340 8.607 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 16.083 -0.732 10.121 1.00 1.00 H new ATOM 255 N VAL A 17 13.449 4.019 5.384 1.00 1.00 N ATOM 256 CA VAL A 17 12.247 4.332 4.604 1.00 1.00 C ATOM 257 C VAL A 17 11.113 3.448 5.083 1.00 1.00 C ATOM 258 O VAL A 17 11.119 2.241 4.845 1.00 1.00 O ATOM 259 CB VAL A 17 12.517 4.078 3.122 1.00 1.00 C ATOM 260 CG1 VAL A 17 11.269 4.417 2.299 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.684 4.960 2.670 1.00 1.00 C ATOM 0 H VAL A 17 13.764 3.053 5.299 1.00 1.00 H new ATOM 0 HA VAL A 17 11.977 5.380 4.737 1.00 1.00 H new ATOM 0 HB VAL A 17 12.766 3.028 2.972 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.469 4.234 1.243 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.437 3.792 2.625 1.00 1.00 H new ATOM 0 HG13 VAL A 17 11.012 5.467 2.443 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.884 4.785 1.613 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.428 6.008 2.822 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.572 4.715 3.253 1.00 1.00 H new ATOM 271 N SER A 18 10.145 4.041 5.782 1.00 1.00 N ATOM 272 CA SER A 18 9.015 3.292 6.313 1.00 1.00 C ATOM 273 C SER A 18 7.867 3.319 5.311 1.00 1.00 C ATOM 274 O SER A 18 7.512 4.382 4.802 1.00 1.00 O ATOM 275 CB SER A 18 8.594 3.943 7.637 1.00 1.00 C ATOM 276 OG SER A 18 9.759 4.235 8.399 1.00 1.00 O ATOM 0 H SER A 18 10.124 5.039 5.992 1.00 1.00 H new ATOM 0 HA SER A 18 9.289 2.251 6.486 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.031 4.856 7.445 1.00 1.00 H new ATOM 0 HB3 SER A 18 7.938 3.274 8.194 1.00 1.00 H new ATOM 0 HG SER A 18 9.499 4.653 9.246 1.00 1.00 H new ATOM 282 N LEU A 19 7.289 2.155 5.023 1.00 1.00 N ATOM 283 CA LEU A 19 6.193 2.083 4.069 1.00 1.00 C ATOM 284 C LEU A 19 5.536 0.711 4.114 1.00 1.00 C ATOM 285 O LEU A 19 6.088 -0.235 4.666 1.00 1.00 O ATOM 286 CB LEU A 19 6.711 2.395 2.653 1.00 1.00 C ATOM 287 CG LEU A 19 7.569 1.241 2.099 1.00 1.00 C ATOM 288 CD1 LEU A 19 8.111 1.629 0.724 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.740 0.929 3.055 1.00 1.00 C ATOM 0 H LEU A 19 7.559 1.261 5.433 1.00 1.00 H new ATOM 0 HA LEU A 19 5.441 2.825 4.337 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.867 2.575 1.987 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.301 3.311 2.674 1.00 1.00 H new ATOM 0 HG LEU A 19 6.949 0.349 2.011 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.719 0.815 0.329 1.00 1.00 H new ATOM 0 HD12 LEU A 19 7.279 1.823 0.046 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.722 2.527 0.814 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.335 0.112 2.647 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.366 1.814 3.164 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.347 0.640 4.030 1.00 1.00 H new ATOM 301 N SER A 20 4.350 0.604 3.530 1.00 1.00 N ATOM 302 CA SER A 20 3.635 -0.665 3.517 1.00 1.00 C ATOM 303 C SER A 20 4.106 -1.537 2.364 1.00 1.00 C ATOM 304 O SER A 20 3.972 -1.170 1.196 1.00 1.00 O ATOM 305 CB SER A 20 2.136 -0.417 3.367 1.00 1.00 C ATOM 306 OG SER A 20 1.477 -1.662 3.173 1.00 1.00 O ATOM 0 H SER A 20 3.867 1.372 3.064 1.00 1.00 H new ATOM 0 HA SER A 20 3.836 -1.176 4.459 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.746 0.081 4.255 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.947 0.245 2.522 1.00 1.00 H new ATOM 0 HG SER A 20 0.513 -1.511 3.077 1.00 1.00 H new ATOM 312 N GLU A 21 4.639 -2.711 2.703 1.00 1.00 N ATOM 313 CA GLU A 21 5.114 -3.680 1.697 1.00 1.00 C ATOM 314 C GLU A 21 4.562 -5.082 1.990 1.00 1.00 C ATOM 315 O GLU A 21 5.291 -5.952 2.466 1.00 1.00 O ATOM 316 CB GLU A 21 6.650 -3.718 1.681 1.00 1.00 C ATOM 317 CG GLU A 21 7.192 -2.290 1.725 1.00 1.00 C ATOM 318 CD GLU A 21 8.704 -2.288 1.521 1.00 1.00 C ATOM 319 OE1 GLU A 21 9.403 -2.737 2.414 1.00 1.00 O ATOM 320 OE2 GLU A 21 9.141 -1.837 0.474 1.00 1.00 O ATOM 0 H GLU A 21 4.756 -3.021 3.668 1.00 1.00 H new ATOM 0 HA GLU A 21 4.753 -3.361 0.719 1.00 1.00 H new ATOM 0 HB2 GLU A 21 7.020 -4.286 2.535 1.00 1.00 H new ATOM 0 HB3 GLU A 21 7.003 -4.226 0.783 1.00 1.00 H new ATOM 0 HG2 GLU A 21 6.714 -1.689 0.952 1.00 1.00 H new ATOM 0 HG3 GLU A 21 6.947 -1.831 2.683 1.00 1.00 H new ATOM 327 N PRO A 22 3.298 -5.321 1.710 1.00 1.00 N ATOM 328 CA PRO A 22 2.664 -6.655 1.952 1.00 1.00 C ATOM 329 C PRO A 22 3.348 -7.768 1.153 1.00 1.00 C ATOM 330 O PRO A 22 3.766 -7.560 0.014 1.00 1.00 O ATOM 331 CB PRO A 22 1.192 -6.456 1.498 1.00 1.00 C ATOM 332 CG PRO A 22 0.979 -4.971 1.515 1.00 1.00 C ATOM 333 CD PRO A 22 2.333 -4.362 1.144 1.00 1.00 C ATOM 0 HA PRO A 22 2.747 -6.967 2.993 1.00 1.00 H new ATOM 0 HB2 PRO A 22 1.027 -6.867 0.502 1.00 1.00 H new ATOM 0 HB3 PRO A 22 0.499 -6.962 2.171 1.00 1.00 H new ATOM 0 HG2 PRO A 22 0.208 -4.677 0.803 1.00 1.00 H new ATOM 0 HG3 PRO A 22 0.652 -4.632 2.498 1.00 1.00 H new ATOM 0 HD2 PRO A 22 2.448 -4.264 0.065 1.00 1.00 H new ATOM 0 HD3 PRO A 22 2.457 -3.366 1.570 1.00 1.00 H new ATOM 341 N ARG A 23 3.447 -8.950 1.756 1.00 1.00 N ATOM 342 CA ARG A 23 4.064 -10.087 1.089 1.00 1.00 C ATOM 343 C ARG A 23 3.755 -11.359 1.863 1.00 1.00 C ATOM 344 O ARG A 23 3.486 -11.311 3.065 1.00 1.00 O ATOM 345 CB ARG A 23 5.578 -9.882 0.993 1.00 1.00 C ATOM 346 CG ARG A 23 6.207 -11.026 0.191 1.00 1.00 C ATOM 347 CD ARG A 23 7.693 -10.749 -0.028 1.00 1.00 C ATOM 348 NE ARG A 23 8.260 -11.760 -0.919 1.00 1.00 N ATOM 349 CZ ARG A 23 9.572 -11.980 -0.977 1.00 1.00 C ATOM 350 NH1 ARG A 23 10.378 -11.323 -0.190 1.00 1.00 N ATOM 351 NH2 ARG A 23 10.047 -12.865 -1.811 1.00 1.00 N ATOM 0 H ARG A 23 3.110 -9.142 2.699 1.00 1.00 H new ATOM 0 HA ARG A 23 3.660 -10.175 0.080 1.00 1.00 H new ATOM 0 HB2 ARG A 23 5.795 -8.927 0.514 1.00 1.00 H new ATOM 0 HB3 ARG A 23 6.013 -9.844 1.992 1.00 1.00 H new ATOM 0 HG2 ARG A 23 6.078 -11.969 0.723 1.00 1.00 H new ATOM 0 HG3 ARG A 23 5.702 -11.130 -0.769 1.00 1.00 H new ATOM 0 HD2 ARG A 23 7.828 -9.756 -0.457 1.00 1.00 H new ATOM 0 HD3 ARG A 23 8.218 -10.757 0.927 1.00 1.00 H new ATOM 0 HE ARG A 23 7.636 -12.310 -1.510 1.00 1.00 H new ATOM 0 HH11 ARG A 23 10.003 -10.641 0.470 1.00 1.00 H new ATOM 0 HH12 ARG A 23 11.383 -11.491 -0.234 1.00 1.00 H new ATOM 0 HH21 ARG A 23 9.413 -13.387 -2.417 1.00 1.00 H new ATOM 0 HH22 ARG A 23 11.052 -13.035 -1.857 1.00 1.00 H new ATOM 365 N GLN A 24 3.795 -12.496 1.174 1.00 1.00 N ATOM 366 CA GLN A 24 3.521 -13.784 1.809 1.00 1.00 C ATOM 367 C GLN A 24 4.206 -13.882 3.173 1.00 1.00 C ATOM 368 O GLN A 24 3.550 -14.063 4.198 1.00 1.00 O ATOM 369 CB GLN A 24 4.023 -14.920 0.909 1.00 1.00 C ATOM 370 CG GLN A 24 3.210 -14.953 -0.387 1.00 1.00 C ATOM 371 CD GLN A 24 3.718 -16.074 -1.288 1.00 1.00 C ATOM 372 OE1 GLN A 24 4.616 -16.822 -0.903 1.00 1.00 O ATOM 373 NE2 GLN A 24 3.189 -16.238 -2.469 1.00 1.00 N ATOM 0 H GLN A 24 4.014 -12.553 0.179 1.00 1.00 H new ATOM 0 HA GLN A 24 2.444 -13.869 1.954 1.00 1.00 H new ATOM 0 HB2 GLN A 24 5.080 -14.777 0.683 1.00 1.00 H new ATOM 0 HB3 GLN A 24 3.935 -15.874 1.429 1.00 1.00 H new ATOM 0 HG2 GLN A 24 2.155 -15.106 -0.161 1.00 1.00 H new ATOM 0 HG3 GLN A 24 3.290 -13.996 -0.902 1.00 1.00 H new ATOM 0 HE21 GLN A 24 2.445 -15.616 -2.785 1.00 1.00 H new ATOM 0 HE22 GLN A 24 3.520 -16.988 -3.076 1.00 1.00 H new ATOM 382 N ASP A 25 5.538 -13.765 3.177 1.00 1.00 N ATOM 383 CA ASP A 25 6.316 -13.848 4.420 1.00 1.00 C ATOM 384 C ASP A 25 7.507 -12.882 4.414 1.00 1.00 C ATOM 385 O ASP A 25 8.645 -13.332 4.521 1.00 1.00 O ATOM 386 CB ASP A 25 6.826 -15.280 4.608 1.00 1.00 C ATOM 387 CG ASP A 25 7.755 -15.670 3.458 1.00 1.00 C ATOM 388 OD1 ASP A 25 7.863 -14.902 2.515 1.00 1.00 O ATOM 389 OD2 ASP A 25 8.351 -16.732 3.541 1.00 1.00 O ATOM 0 H ASP A 25 6.099 -13.613 2.339 1.00 1.00 H new ATOM 0 HA ASP A 25 5.660 -13.567 5.243 1.00 1.00 H new ATOM 0 HB2 ASP A 25 7.357 -15.362 5.557 1.00 1.00 H new ATOM 0 HB3 ASP A 25 5.983 -15.970 4.653 1.00 1.00 H new ATOM 394 N ASN A 26 7.233 -11.565 4.296 1.00 1.00 N ATOM 395 CA ASN A 26 8.288 -10.510 4.286 1.00 1.00 C ATOM 396 C ASN A 26 9.575 -10.973 4.963 1.00 1.00 C ATOM 397 O ASN A 26 9.809 -10.711 6.143 1.00 1.00 O ATOM 398 CB ASN A 26 7.769 -9.266 5.009 1.00 1.00 C ATOM 399 CG ASN A 26 6.438 -8.823 4.415 1.00 1.00 C ATOM 400 OD1 ASN A 26 6.412 -8.032 3.472 1.00 1.00 O ATOM 401 ND2 ASN A 26 5.325 -9.287 4.912 1.00 1.00 N ATOM 0 H ASN A 26 6.286 -11.198 4.205 1.00 1.00 H new ATOM 0 HA ASN A 26 8.517 -10.287 3.244 1.00 1.00 H new ATOM 0 HB2 ASN A 26 7.648 -9.479 6.071 1.00 1.00 H new ATOM 0 HB3 ASN A 26 8.498 -8.459 4.927 1.00 1.00 H new ATOM 0 HD21 ASN A 26 4.430 -8.995 4.519 1.00 1.00 H new ATOM 0 HD22 ASN A 26 5.349 -9.942 5.693 1.00 1.00 H new ATOM 408 N SER A 27 10.396 -11.687 4.193 1.00 1.00 N ATOM 409 CA SER A 27 11.662 -12.223 4.689 1.00 1.00 C ATOM 410 C SER A 27 12.799 -11.258 4.395 1.00 1.00 C ATOM 411 O SER A 27 12.592 -10.056 4.300 1.00 1.00 O ATOM 412 CB SER A 27 11.941 -13.569 4.014 1.00 1.00 C ATOM 413 OG SER A 27 10.789 -14.393 4.126 1.00 1.00 O ATOM 0 H SER A 27 10.204 -11.908 3.216 1.00 1.00 H new ATOM 0 HA SER A 27 11.591 -12.359 5.768 1.00 1.00 H new ATOM 0 HB2 SER A 27 12.195 -13.418 2.965 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.797 -14.054 4.482 1.00 1.00 H new ATOM 0 HG SER A 27 10.139 -13.967 4.723 1.00 1.00 H new ATOM 419 N PHE A 28 14.006 -11.800 4.246 1.00 1.00 N ATOM 420 CA PHE A 28 15.199 -10.994 3.959 1.00 1.00 C ATOM 421 C PHE A 28 15.867 -11.471 2.674 1.00 1.00 C ATOM 422 O PHE A 28 15.866 -12.663 2.368 1.00 1.00 O ATOM 423 CB PHE A 28 16.184 -11.110 5.126 1.00 1.00 C ATOM 424 CG PHE A 28 16.608 -12.557 5.292 1.00 1.00 C ATOM 425 CD1 PHE A 28 17.719 -13.044 4.591 1.00 1.00 C ATOM 426 CD2 PHE A 28 15.889 -13.410 6.141 1.00 1.00 C ATOM 427 CE1 PHE A 28 18.111 -14.379 4.740 1.00 1.00 C ATOM 428 CE2 PHE A 28 16.282 -14.745 6.290 1.00 1.00 C ATOM 429 CZ PHE A 28 17.393 -15.230 5.588 1.00 1.00 C ATOM 0 H PHE A 28 14.188 -12.801 4.319 1.00 1.00 H new ATOM 0 HA PHE A 28 14.901 -9.953 3.832 1.00 1.00 H new ATOM 0 HB2 PHE A 28 17.057 -10.484 4.942 1.00 1.00 H new ATOM 0 HB3 PHE A 28 15.720 -10.749 6.044 1.00 1.00 H new ATOM 0 HD1 PHE A 28 18.273 -12.389 3.935 1.00 1.00 H new ATOM 0 HD2 PHE A 28 15.031 -13.037 6.681 1.00 1.00 H new ATOM 0 HE1 PHE A 28 18.968 -14.753 4.200 1.00 1.00 H new ATOM 0 HE2 PHE A 28 15.729 -15.401 6.946 1.00 1.00 H new ATOM 0 HZ PHE A 28 17.695 -16.261 5.701 1.00 1.00 H new ATOM 439 N THR A 29 16.432 -10.528 1.924 1.00 1.00 N ATOM 440 CA THR A 29 17.095 -10.843 0.671 1.00 1.00 C ATOM 441 C THR A 29 17.902 -9.639 0.219 1.00 1.00 C ATOM 442 O THR A 29 17.341 -8.634 -0.221 1.00 1.00 O ATOM 443 CB THR A 29 16.050 -11.207 -0.401 1.00 1.00 C ATOM 444 OG1 THR A 29 15.089 -12.088 0.161 1.00 1.00 O ATOM 445 CG2 THR A 29 16.732 -11.891 -1.592 1.00 1.00 C ATOM 0 H THR A 29 16.441 -9.538 2.167 1.00 1.00 H new ATOM 0 HA THR A 29 17.759 -11.695 0.815 1.00 1.00 H new ATOM 0 HB THR A 29 15.561 -10.296 -0.746 1.00 1.00 H new ATOM 0 HG1 THR A 29 15.545 -12.771 0.697 1.00 1.00 H new ATOM 0 HG21 THR A 29 15.984 -12.144 -2.344 1.00 1.00 H new ATOM 0 HG22 THR A 29 17.469 -11.216 -2.026 1.00 1.00 H new ATOM 0 HG23 THR A 29 17.228 -12.801 -1.254 1.00 1.00 H new ATOM 453 N THR A 30 19.217 -9.736 0.334 1.00 1.00 N ATOM 454 CA THR A 30 20.086 -8.636 -0.063 1.00 1.00 C ATOM 455 C THR A 30 20.363 -8.694 -1.560 1.00 1.00 C ATOM 456 O THR A 30 20.985 -9.632 -2.059 1.00 1.00 O ATOM 457 CB THR A 30 21.397 -8.739 0.713 1.00 1.00 C ATOM 458 OG1 THR A 30 21.123 -8.676 2.105 1.00 1.00 O ATOM 459 CG2 THR A 30 22.333 -7.589 0.322 1.00 1.00 C ATOM 0 H THR A 30 19.704 -10.556 0.695 1.00 1.00 H new ATOM 0 HA THR A 30 19.597 -7.688 0.159 1.00 1.00 H new ATOM 0 HB THR A 30 21.882 -9.686 0.475 1.00 1.00 H new ATOM 0 HG1 THR A 30 21.094 -7.739 2.391 1.00 1.00 H new ATOM 0 HG21 THR A 30 23.265 -7.672 0.881 1.00 1.00 H new ATOM 0 HG22 THR A 30 22.545 -7.640 -0.746 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.855 -6.637 0.552 1.00 1.00 H new ATOM 467 N TYR A 31 19.895 -7.671 -2.273 1.00 1.00 N ATOM 468 CA TYR A 31 20.084 -7.575 -3.723 1.00 1.00 C ATOM 469 C TYR A 31 20.361 -6.131 -4.123 1.00 1.00 C ATOM 470 O TYR A 31 20.132 -5.211 -3.341 1.00 1.00 O ATOM 471 CB TYR A 31 18.838 -8.094 -4.449 1.00 1.00 C ATOM 472 CG TYR A 31 17.604 -7.428 -3.882 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.265 -6.132 -4.286 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.794 -8.103 -2.954 1.00 1.00 C ATOM 475 CE1 TYR A 31 16.124 -5.514 -3.767 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.653 -7.483 -2.437 1.00 1.00 C ATOM 477 CZ TYR A 31 15.317 -6.188 -2.843 1.00 1.00 C ATOM 478 OH TYR A 31 14.191 -5.576 -2.338 1.00 1.00 O ATOM 0 H TYR A 31 19.378 -6.890 -1.868 1.00 1.00 H new ATOM 0 HA TYR A 31 20.940 -8.187 -4.008 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.916 -7.889 -5.517 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.764 -9.176 -4.336 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.885 -5.609 -4.999 1.00 1.00 H new ATOM 0 HD2 TYR A 31 17.053 -9.103 -2.639 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.864 -4.513 -4.080 1.00 1.00 H new ATOM 0 HE2 TYR A 31 15.031 -8.004 -1.724 1.00 1.00 H new ATOM 0 HH TYR A 31 13.517 -6.255 -2.125 1.00 1.00 H new ATOM 488 N THR A 32 20.809 -5.945 -5.359 1.00 1.00 N ATOM 489 CA THR A 32 21.067 -4.607 -5.886 1.00 1.00 C ATOM 490 C THR A 32 21.336 -4.681 -7.387 1.00 1.00 C ATOM 491 O THR A 32 22.361 -5.212 -7.811 1.00 1.00 O ATOM 492 CB THR A 32 22.289 -3.989 -5.183 1.00 1.00 C ATOM 493 OG1 THR A 32 22.029 -3.881 -3.794 1.00 1.00 O ATOM 494 CG2 THR A 32 22.580 -2.594 -5.750 1.00 1.00 C ATOM 0 H THR A 32 21.001 -6.702 -6.016 1.00 1.00 H new ATOM 0 HA THR A 32 20.191 -3.985 -5.703 1.00 1.00 H new ATOM 0 HB THR A 32 23.154 -4.631 -5.352 1.00 1.00 H new ATOM 0 HG1 THR A 32 21.078 -4.045 -3.626 1.00 1.00 H new ATOM 0 HG21 THR A 32 23.447 -2.169 -5.244 1.00 1.00 H new ATOM 0 HG22 THR A 32 22.785 -2.671 -6.818 1.00 1.00 H new ATOM 0 HG23 THR A 32 21.715 -1.949 -5.592 1.00 1.00 H new ATOM 502 N ALA A 33 20.421 -4.124 -8.186 1.00 1.00 N ATOM 503 CA ALA A 33 20.580 -4.111 -9.644 1.00 1.00 C ATOM 504 C ALA A 33 19.276 -3.700 -10.329 1.00 1.00 C ATOM 505 O ALA A 33 18.199 -4.174 -9.968 1.00 1.00 O ATOM 506 CB ALA A 33 21.021 -5.502 -10.160 1.00 1.00 C ATOM 0 H ALA A 33 19.567 -3.678 -7.851 1.00 1.00 H new ATOM 0 HA ALA A 33 21.352 -3.381 -9.887 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.133 -5.469 -11.244 1.00 1.00 H new ATOM 0 HB2 ALA A 33 21.973 -5.774 -9.705 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.268 -6.244 -9.895 1.00 1.00 H new ATOM 512 N ALA A 34 19.387 -2.846 -11.341 1.00 1.00 N ATOM 513 CA ALA A 34 18.214 -2.417 -12.094 1.00 1.00 C ATOM 514 C ALA A 34 17.706 -3.547 -12.992 1.00 1.00 C ATOM 515 O ALA A 34 18.362 -3.937 -13.957 1.00 1.00 O ATOM 516 CB ALA A 34 18.554 -1.191 -12.945 1.00 1.00 C ATOM 0 H ALA A 34 20.268 -2.441 -11.657 1.00 1.00 H new ATOM 0 HA ALA A 34 17.428 -2.155 -11.385 1.00 1.00 H new ATOM 0 HB1 ALA A 34 17.671 -0.879 -13.503 1.00 1.00 H new ATOM 0 HB2 ALA A 34 18.880 -0.377 -12.297 1.00 1.00 H new ATOM 0 HB3 ALA A 34 19.354 -1.442 -13.642 1.00 1.00 H new ATOM 522 N GLN A 35 16.519 -4.059 -12.659 1.00 1.00 N ATOM 523 CA GLN A 35 15.896 -5.142 -13.428 1.00 1.00 C ATOM 524 C GLN A 35 14.375 -5.059 -13.342 1.00 1.00 C ATOM 525 O GLN A 35 13.823 -4.635 -12.326 1.00 1.00 O ATOM 526 CB GLN A 35 16.366 -6.501 -12.903 1.00 1.00 C ATOM 527 CG GLN A 35 16.063 -6.615 -11.406 1.00 1.00 C ATOM 528 CD GLN A 35 16.630 -7.922 -10.861 1.00 1.00 C ATOM 529 OE1 GLN A 35 15.874 -8.822 -10.497 1.00 1.00 O ATOM 530 NE2 GLN A 35 17.922 -8.081 -10.786 1.00 1.00 N ATOM 0 H GLN A 35 15.968 -3.741 -11.861 1.00 1.00 H new ATOM 0 HA GLN A 35 16.195 -5.035 -14.471 1.00 1.00 H new ATOM 0 HB2 GLN A 35 15.866 -7.303 -13.446 1.00 1.00 H new ATOM 0 HB3 GLN A 35 17.436 -6.617 -13.076 1.00 1.00 H new ATOM 0 HG2 GLN A 35 16.497 -5.769 -10.873 1.00 1.00 H new ATOM 0 HG3 GLN A 35 14.986 -6.578 -11.240 1.00 1.00 H new ATOM 0 HE21 GLN A 35 18.546 -7.333 -11.088 1.00 1.00 H new ATOM 0 HE22 GLN A 35 18.308 -8.953 -10.425 1.00 1.00 H new ATOM 539 N GLU A 36 13.706 -5.468 -14.415 1.00 1.00 N ATOM 540 CA GLU A 36 12.247 -5.441 -14.462 1.00 1.00 C ATOM 541 C GLU A 36 11.659 -6.482 -13.521 1.00 1.00 C ATOM 542 O GLU A 36 12.206 -7.576 -13.367 1.00 1.00 O ATOM 543 CB GLU A 36 11.765 -5.720 -15.888 1.00 1.00 C ATOM 544 CG GLU A 36 12.166 -4.566 -16.807 1.00 1.00 C ATOM 545 CD GLU A 36 11.783 -4.884 -18.251 1.00 1.00 C ATOM 546 OE1 GLU A 36 11.214 -5.940 -18.480 1.00 1.00 O ATOM 547 OE2 GLU A 36 12.065 -4.065 -19.110 1.00 1.00 O ATOM 0 H GLU A 36 14.149 -5.822 -15.263 1.00 1.00 H new ATOM 0 HA GLU A 36 11.914 -4.452 -14.148 1.00 1.00 H new ATOM 0 HB2 GLU A 36 12.197 -6.653 -16.251 1.00 1.00 H new ATOM 0 HB3 GLU A 36 10.682 -5.845 -15.897 1.00 1.00 H new ATOM 0 HG2 GLU A 36 11.673 -3.648 -16.486 1.00 1.00 H new ATOM 0 HG3 GLU A 36 13.240 -4.393 -16.738 1.00 1.00 H new ATOM 554 N GLY A 37 10.531 -6.134 -12.900 1.00 1.00 N ATOM 555 CA GLY A 37 9.839 -7.034 -11.975 1.00 1.00 C ATOM 556 C GLY A 37 9.993 -6.569 -10.532 1.00 1.00 C ATOM 557 O GLY A 37 9.153 -6.883 -9.689 1.00 1.00 O ATOM 0 H GLY A 37 10.075 -5.230 -13.022 1.00 1.00 H new ATOM 0 HA2 GLY A 37 8.781 -7.081 -12.233 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.238 -8.043 -12.079 1.00 1.00 H new ATOM 561 N GLN A 38 11.071 -5.826 -10.245 1.00 1.00 N ATOM 562 CA GLN A 38 11.327 -5.328 -8.884 1.00 1.00 C ATOM 563 C GLN A 38 10.957 -3.836 -8.777 1.00 1.00 C ATOM 564 O GLN A 38 11.122 -3.094 -9.745 1.00 1.00 O ATOM 565 CB GLN A 38 12.814 -5.504 -8.541 1.00 1.00 C ATOM 566 CG GLN A 38 13.159 -6.995 -8.438 1.00 1.00 C ATOM 567 CD GLN A 38 12.474 -7.612 -7.220 1.00 1.00 C ATOM 568 OE1 GLN A 38 11.465 -8.305 -7.358 1.00 1.00 O ATOM 569 NE2 GLN A 38 12.960 -7.394 -6.029 1.00 1.00 N ATOM 0 H GLN A 38 11.776 -5.557 -10.931 1.00 1.00 H new ATOM 0 HA GLN A 38 10.715 -5.898 -8.185 1.00 1.00 H new ATOM 0 HB2 GLN A 38 13.430 -5.032 -9.307 1.00 1.00 H new ATOM 0 HB3 GLN A 38 13.039 -5.005 -7.599 1.00 1.00 H new ATOM 0 HG2 GLN A 38 12.842 -7.512 -9.344 1.00 1.00 H new ATOM 0 HG3 GLN A 38 14.239 -7.121 -8.360 1.00 1.00 H new ATOM 0 HE21 GLN A 38 13.796 -6.820 -5.916 1.00 1.00 H new ATOM 0 HE22 GLN A 38 12.504 -7.798 -5.211 1.00 1.00 H new ATOM 578 N PRO A 39 10.479 -3.372 -7.634 1.00 1.00 N ATOM 579 CA PRO A 39 10.111 -1.932 -7.452 1.00 1.00 C ATOM 580 C PRO A 39 11.133 -0.978 -8.081 1.00 1.00 C ATOM 581 O PRO A 39 12.322 -1.022 -7.763 1.00 1.00 O ATOM 582 CB PRO A 39 10.076 -1.767 -5.917 1.00 1.00 C ATOM 583 CG PRO A 39 9.715 -3.123 -5.380 1.00 1.00 C ATOM 584 CD PRO A 39 10.223 -4.155 -6.405 1.00 1.00 C ATOM 0 HA PRO A 39 9.169 -1.686 -7.941 1.00 1.00 H new ATOM 0 HB2 PRO A 39 11.042 -1.437 -5.535 1.00 1.00 H new ATOM 0 HB3 PRO A 39 9.343 -1.018 -5.619 1.00 1.00 H new ATOM 0 HG2 PRO A 39 10.174 -3.288 -4.405 1.00 1.00 H new ATOM 0 HG3 PRO A 39 8.637 -3.211 -5.244 1.00 1.00 H new ATOM 0 HD2 PRO A 39 11.130 -4.648 -6.054 1.00 1.00 H new ATOM 0 HD3 PRO A 39 9.483 -4.936 -6.580 1.00 1.00 H new ATOM 592 N GLU A 40 10.650 -0.113 -8.973 1.00 1.00 N ATOM 593 CA GLU A 40 11.516 0.856 -9.648 1.00 1.00 C ATOM 594 C GLU A 40 12.457 1.529 -8.650 1.00 1.00 C ATOM 595 O GLU A 40 13.521 2.017 -9.017 1.00 1.00 O ATOM 596 CB GLU A 40 10.663 1.924 -10.342 1.00 1.00 C ATOM 597 CG GLU A 40 9.795 1.282 -11.432 1.00 1.00 C ATOM 598 CD GLU A 40 10.669 0.756 -12.567 1.00 1.00 C ATOM 599 OE1 GLU A 40 11.801 1.199 -12.672 1.00 1.00 O ATOM 600 OE2 GLU A 40 10.192 -0.083 -13.314 1.00 1.00 O ATOM 0 H GLU A 40 9.668 -0.063 -9.245 1.00 1.00 H new ATOM 0 HA GLU A 40 12.112 0.323 -10.389 1.00 1.00 H new ATOM 0 HB2 GLU A 40 10.029 2.426 -9.611 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.307 2.686 -10.781 1.00 1.00 H new ATOM 0 HG2 GLU A 40 9.210 0.466 -11.007 1.00 1.00 H new ATOM 0 HG3 GLU A 40 9.086 2.014 -11.819 1.00 1.00 H new ATOM 607 N PHE A 41 12.055 1.539 -7.385 1.00 1.00 N ATOM 608 CA PHE A 41 12.864 2.150 -6.335 1.00 1.00 C ATOM 609 C PHE A 41 14.255 1.529 -6.304 1.00 1.00 C ATOM 610 O PHE A 41 15.256 2.232 -6.167 1.00 1.00 O ATOM 611 CB PHE A 41 12.180 1.946 -4.977 1.00 1.00 C ATOM 612 CG PHE A 41 10.901 2.758 -4.914 1.00 1.00 C ATOM 613 CD1 PHE A 41 9.710 2.227 -5.420 1.00 1.00 C ATOM 614 CD2 PHE A 41 10.907 4.039 -4.350 1.00 1.00 C ATOM 615 CE1 PHE A 41 8.526 2.970 -5.358 1.00 1.00 C ATOM 616 CE2 PHE A 41 9.724 4.781 -4.286 1.00 1.00 C ATOM 617 CZ PHE A 41 8.532 4.247 -4.790 1.00 1.00 C ATOM 0 H PHE A 41 11.177 1.133 -7.061 1.00 1.00 H new ATOM 0 HA PHE A 41 12.961 3.216 -6.542 1.00 1.00 H new ATOM 0 HB2 PHE A 41 11.958 0.889 -4.828 1.00 1.00 H new ATOM 0 HB3 PHE A 41 12.852 2.247 -4.173 1.00 1.00 H new ATOM 0 HD1 PHE A 41 9.704 1.241 -5.860 1.00 1.00 H new ATOM 0 HD2 PHE A 41 11.826 4.454 -3.964 1.00 1.00 H new ATOM 0 HE1 PHE A 41 7.608 2.557 -5.749 1.00 1.00 H new ATOM 0 HE2 PHE A 41 9.730 5.768 -3.847 1.00 1.00 H new ATOM 0 HZ PHE A 41 7.619 4.821 -4.740 1.00 1.00 H new ATOM 627 N ILE A 42 14.310 0.210 -6.426 1.00 1.00 N ATOM 628 CA ILE A 42 15.585 -0.490 -6.404 1.00 1.00 C ATOM 629 C ILE A 42 16.461 -0.051 -7.574 1.00 1.00 C ATOM 630 O ILE A 42 17.653 0.203 -7.403 1.00 1.00 O ATOM 631 CB ILE A 42 15.352 -2.002 -6.503 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.352 -2.442 -5.419 1.00 1.00 C ATOM 633 CG2 ILE A 42 16.683 -2.744 -6.327 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.837 -2.051 -4.008 1.00 1.00 C ATOM 0 H ILE A 42 13.494 -0.392 -6.540 1.00 1.00 H new ATOM 0 HA ILE A 42 16.088 -0.249 -5.467 1.00 1.00 H new ATOM 0 HB ILE A 42 14.941 -2.242 -7.484 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.382 -1.984 -5.611 1.00 1.00 H new ATOM 0 HG13 ILE A 42 14.211 -3.522 -5.470 1.00 1.00 H new ATOM 0 HG21 ILE A 42 16.513 -3.818 -6.398 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.378 -2.434 -7.107 1.00 1.00 H new ATOM 0 HG23 ILE A 42 17.105 -2.507 -5.350 1.00 1.00 H new ATOM 0 HD11 ILE A 42 14.106 -2.378 -3.268 1.00 1.00 H new ATOM 0 HD12 ILE A 42 15.795 -2.530 -3.807 1.00 1.00 H new ATOM 0 HD13 ILE A 42 14.953 -0.969 -3.950 1.00 1.00 H new ATOM 646 N ASN A 43 15.875 -0.010 -8.768 1.00 1.00 N ATOM 647 CA ASN A 43 16.629 0.349 -9.964 1.00 1.00 C ATOM 648 C ASN A 43 17.182 1.762 -9.878 1.00 1.00 C ATOM 649 O ASN A 43 18.309 2.020 -10.305 1.00 1.00 O ATOM 650 CB ASN A 43 15.732 0.239 -11.204 1.00 1.00 C ATOM 651 CG ASN A 43 15.028 -1.112 -11.242 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.263 -1.962 -10.384 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.171 -1.359 -12.196 1.00 1.00 N ATOM 0 H ASN A 43 14.890 -0.219 -8.932 1.00 1.00 H new ATOM 0 HA ASN A 43 17.466 -0.345 -10.042 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.993 1.040 -11.196 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.332 0.368 -12.105 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.693 -2.260 -12.232 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.979 -0.651 -12.905 1.00 1.00 H new ATOM 660 N ARG A 44 16.389 2.676 -9.336 1.00 1.00 N ATOM 661 CA ARG A 44 16.821 4.059 -9.220 1.00 1.00 C ATOM 662 C ARG A 44 18.118 4.119 -8.417 1.00 1.00 C ATOM 663 O ARG A 44 19.083 4.757 -8.827 1.00 1.00 O ATOM 664 CB ARG A 44 15.699 4.860 -8.540 1.00 1.00 C ATOM 665 CG ARG A 44 14.454 4.935 -9.462 1.00 1.00 C ATOM 666 CD ARG A 44 14.585 6.071 -10.480 1.00 1.00 C ATOM 667 NE ARG A 44 13.470 6.041 -11.416 1.00 1.00 N ATOM 668 CZ ARG A 44 13.331 6.986 -12.341 1.00 1.00 C ATOM 669 NH1 ARG A 44 14.196 7.964 -12.409 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.331 6.942 -13.177 1.00 1.00 N ATOM 0 H ARG A 44 15.454 2.487 -8.974 1.00 1.00 H new ATOM 0 HA ARG A 44 17.017 4.491 -10.201 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.431 4.391 -7.593 1.00 1.00 H new ATOM 0 HB3 ARG A 44 16.050 5.866 -8.309 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.328 3.987 -9.985 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.560 5.086 -8.858 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.609 7.031 -9.963 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.526 5.977 -11.022 1.00 1.00 H new ATOM 0 HE ARG A 44 12.787 5.285 -11.361 1.00 1.00 H new ATOM 0 HH11 ARG A 44 14.976 8.001 -11.753 1.00 1.00 H new ATOM 0 HH12 ARG A 44 14.091 8.690 -13.118 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.653 6.182 -13.122 1.00 1.00 H new ATOM 0 HH22 ARG A 44 12.226 7.668 -13.886 1.00 1.00 H new ATOM 684 N LEU A 45 18.130 3.452 -7.272 1.00 1.00 N ATOM 685 CA LEU A 45 19.306 3.435 -6.415 1.00 1.00 C ATOM 686 C LEU A 45 20.523 2.938 -7.200 1.00 1.00 C ATOM 687 O LEU A 45 21.621 3.470 -7.042 1.00 1.00 O ATOM 688 CB LEU A 45 19.020 2.535 -5.188 1.00 1.00 C ATOM 689 CG LEU A 45 18.249 3.340 -4.086 1.00 1.00 C ATOM 690 CD1 LEU A 45 17.316 2.410 -3.294 1.00 1.00 C ATOM 691 CD2 LEU A 45 19.248 3.984 -3.112 1.00 1.00 C ATOM 0 H LEU A 45 17.339 2.916 -6.915 1.00 1.00 H new ATOM 0 HA LEU A 45 19.529 4.443 -6.066 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.432 1.670 -5.493 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.957 2.156 -4.781 1.00 1.00 H new ATOM 0 HG LEU A 45 17.658 4.112 -4.578 1.00 1.00 H new ATOM 0 HD11 LEU A 45 16.789 2.986 -2.533 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.593 1.957 -3.972 1.00 1.00 H new ATOM 0 HD13 LEU A 45 17.904 1.627 -2.814 1.00 1.00 H new ATOM 0 HD21 LEU A 45 18.705 4.542 -2.349 1.00 1.00 H new ATOM 0 HD22 LEU A 45 19.845 3.206 -2.636 1.00 1.00 H new ATOM 0 HD23 LEU A 45 19.904 4.662 -3.659 1.00 1.00 H new ATOM 703 N PHE A 46 20.321 1.941 -8.058 1.00 1.00 N ATOM 704 CA PHE A 46 21.400 1.402 -8.872 1.00 1.00 C ATOM 705 C PHE A 46 21.706 2.331 -10.053 1.00 1.00 C ATOM 706 O PHE A 46 22.366 1.935 -11.012 1.00 1.00 O ATOM 707 CB PHE A 46 20.986 0.028 -9.390 1.00 1.00 C ATOM 708 CG PHE A 46 22.142 -0.590 -10.139 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.254 -1.036 -9.423 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.111 -0.711 -11.536 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.338 -1.605 -10.097 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.195 -1.283 -12.210 1.00 1.00 C ATOM 713 CZ PHE A 46 24.308 -1.729 -11.490 1.00 1.00 C ATOM 0 H PHE A 46 19.417 1.491 -8.205 1.00 1.00 H new ATOM 0 HA PHE A 46 22.300 1.318 -8.263 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.691 -0.613 -8.559 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.120 0.119 -10.045 1.00 1.00 H new ATOM 0 HD1 PHE A 46 23.277 -0.941 -8.347 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.252 -0.363 -12.090 1.00 1.00 H new ATOM 0 HE1 PHE A 46 25.199 -1.949 -9.543 1.00 1.00 H new ATOM 0 HE2 PHE A 46 23.173 -1.380 -13.285 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.146 -2.170 -12.010 1.00 1.00 H new ATOM 723 N GLU A 47 21.220 3.574 -9.967 1.00 1.00 N ATOM 724 CA GLU A 47 21.449 4.566 -11.034 1.00 1.00 C ATOM 725 C GLU A 47 22.652 5.445 -10.700 1.00 1.00 C ATOM 726 O GLU A 47 23.406 5.841 -11.591 1.00 1.00 O ATOM 727 CB GLU A 47 20.202 5.453 -11.225 1.00 1.00 C ATOM 728 CG GLU A 47 20.303 6.233 -12.549 1.00 1.00 C ATOM 729 CD GLU A 47 20.139 5.288 -13.740 1.00 1.00 C ATOM 730 OE1 GLU A 47 19.800 4.136 -13.517 1.00 1.00 O ATOM 731 OE2 GLU A 47 20.362 5.728 -14.856 1.00 1.00 O ATOM 0 H GLU A 47 20.671 3.919 -9.180 1.00 1.00 H new ATOM 0 HA GLU A 47 21.648 4.025 -11.959 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.304 4.835 -11.226 1.00 1.00 H new ATOM 0 HB3 GLU A 47 20.110 6.148 -10.391 1.00 1.00 H new ATOM 0 HG2 GLU A 47 19.535 7.006 -12.582 1.00 1.00 H new ATOM 0 HG3 GLU A 47 21.267 6.738 -12.608 1.00 1.00 H new ATOM 738 N ILE A 48 22.819 5.751 -9.411 1.00 1.00 N ATOM 739 CA ILE A 48 23.934 6.601 -8.949 1.00 1.00 C ATOM 740 C ILE A 48 24.881 5.814 -8.057 1.00 1.00 C ATOM 741 O ILE A 48 24.452 5.013 -7.227 1.00 1.00 O ATOM 742 CB ILE A 48 23.388 7.806 -8.172 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.618 7.334 -6.890 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.454 8.598 -9.099 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.474 7.552 -5.634 1.00 1.00 C ATOM 0 H ILE A 48 22.202 5.427 -8.666 1.00 1.00 H new ATOM 0 HA ILE A 48 24.482 6.947 -9.825 1.00 1.00 H new ATOM 0 HB ILE A 48 24.213 8.440 -7.847 1.00 1.00 H new ATOM 0 HG12 ILE A 48 21.682 7.884 -6.798 1.00 1.00 H new ATOM 0 HG13 ILE A 48 22.360 6.279 -6.982 1.00 1.00 H new ATOM 0 HG21 ILE A 48 22.055 9.460 -8.564 1.00 1.00 H new ATOM 0 HG22 ILE A 48 23.011 8.939 -9.972 1.00 1.00 H new ATOM 0 HG23 ILE A 48 21.632 7.958 -9.420 1.00 1.00 H new ATOM 0 HD11 ILE A 48 22.922 7.218 -4.755 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.399 6.981 -5.720 1.00 1.00 H new ATOM 0 HD13 ILE A 48 23.710 8.611 -5.534 1.00 1.00 H new ATOM 757 N GLU A 49 26.175 6.053 -8.238 1.00 1.00 N ATOM 758 CA GLU A 49 27.189 5.365 -7.454 1.00 1.00 C ATOM 759 C GLU A 49 27.040 5.689 -5.976 1.00 1.00 C ATOM 760 O GLU A 49 26.845 6.846 -5.602 1.00 1.00 O ATOM 761 CB GLU A 49 28.588 5.780 -7.930 1.00 1.00 C ATOM 762 CG GLU A 49 28.849 7.266 -7.603 1.00 1.00 C ATOM 763 CD GLU A 49 30.113 7.738 -8.314 1.00 1.00 C ATOM 764 OE1 GLU A 49 30.288 7.381 -9.467 1.00 1.00 O ATOM 765 OE2 GLU A 49 30.887 8.447 -7.692 1.00 1.00 O ATOM 0 H GLU A 49 26.544 6.716 -8.919 1.00 1.00 H new ATOM 0 HA GLU A 49 27.058 4.292 -7.592 1.00 1.00 H new ATOM 0 HB2 GLU A 49 29.342 5.157 -7.449 1.00 1.00 H new ATOM 0 HB3 GLU A 49 28.677 5.616 -9.004 1.00 1.00 H new ATOM 0 HG2 GLU A 49 27.998 7.871 -7.915 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.956 7.397 -6.526 1.00 1.00 H new ATOM 772 N GLY A 50 27.146 4.669 -5.133 1.00 1.00 N ATOM 773 CA GLY A 50 27.036 4.866 -3.692 1.00 1.00 C ATOM 774 C GLY A 50 26.355 3.687 -3.026 1.00 1.00 C ATOM 775 O GLY A 50 26.785 3.243 -1.965 1.00 1.00 O ATOM 0 H GLY A 50 27.307 3.703 -5.419 1.00 1.00 H new ATOM 0 HA2 GLY A 50 28.029 5.004 -3.265 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.472 5.777 -3.489 1.00 1.00 H new ATOM 779 N VAL A 51 25.288 3.189 -3.641 1.00 1.00 N ATOM 780 CA VAL A 51 24.557 2.076 -3.064 1.00 1.00 C ATOM 781 C VAL A 51 25.405 0.812 -3.043 1.00 1.00 C ATOM 782 O VAL A 51 25.736 0.251 -4.086 1.00 1.00 O ATOM 783 CB VAL A 51 23.284 1.843 -3.891 1.00 1.00 C ATOM 784 CG1 VAL A 51 23.644 1.447 -5.345 1.00 1.00 C ATOM 785 CG2 VAL A 51 22.442 0.737 -3.245 1.00 1.00 C ATOM 0 H VAL A 51 24.917 3.535 -4.526 1.00 1.00 H new ATOM 0 HA VAL A 51 24.298 2.316 -2.033 1.00 1.00 H new ATOM 0 HB VAL A 51 22.710 2.769 -3.915 1.00 1.00 H new ATOM 0 HG11 VAL A 51 22.729 1.286 -5.915 1.00 1.00 H new ATOM 0 HG12 VAL A 51 24.224 2.246 -5.807 1.00 1.00 H new ATOM 0 HG13 VAL A 51 24.233 0.530 -5.337 1.00 1.00 H new ATOM 0 HG21 VAL A 51 21.540 0.575 -3.835 1.00 1.00 H new ATOM 0 HG22 VAL A 51 23.021 -0.186 -3.207 1.00 1.00 H new ATOM 0 HG23 VAL A 51 22.165 1.034 -2.233 1.00 1.00 H new ATOM 795 N LYS A 52 25.753 0.358 -1.841 1.00 1.00 N ATOM 796 CA LYS A 52 26.547 -0.859 -1.694 1.00 1.00 C ATOM 797 C LYS A 52 25.630 -2.073 -1.746 1.00 1.00 C ATOM 798 O LYS A 52 25.883 -3.022 -2.486 1.00 1.00 O ATOM 799 CB LYS A 52 27.296 -0.836 -0.358 1.00 1.00 C ATOM 800 CG LYS A 52 28.239 -2.039 -0.280 1.00 1.00 C ATOM 801 CD LYS A 52 29.055 -1.968 1.008 1.00 1.00 C ATOM 802 CE LYS A 52 30.004 -3.165 1.070 1.00 1.00 C ATOM 803 NZ LYS A 52 30.973 -3.084 -0.059 1.00 1.00 N ATOM 0 H LYS A 52 25.500 0.810 -0.962 1.00 1.00 H new ATOM 0 HA LYS A 52 27.271 -0.915 -2.507 1.00 1.00 H new ATOM 0 HB2 LYS A 52 27.863 0.090 -0.263 1.00 1.00 H new ATOM 0 HB3 LYS A 52 26.587 -0.862 0.469 1.00 1.00 H new ATOM 0 HG2 LYS A 52 27.666 -2.966 -0.308 1.00 1.00 H new ATOM 0 HG3 LYS A 52 28.904 -2.049 -1.144 1.00 1.00 H new ATOM 0 HD2 LYS A 52 29.622 -1.038 1.042 1.00 1.00 H new ATOM 0 HD3 LYS A 52 28.392 -1.970 1.873 1.00 1.00 H new ATOM 0 HE2 LYS A 52 30.536 -3.173 2.021 1.00 1.00 H new ATOM 0 HE3 LYS A 52 29.439 -4.095 1.013 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 31.812 -3.657 0.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 30.526 -3.444 -0.926 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 31.258 -2.094 -0.202 1.00 1.00 H new ATOM 817 N SER A 53 24.553 -2.032 -0.955 1.00 1.00 N ATOM 818 CA SER A 53 23.595 -3.137 -0.923 1.00 1.00 C ATOM 819 C SER A 53 22.252 -2.660 -0.388 1.00 1.00 C ATOM 820 O SER A 53 22.186 -1.697 0.375 1.00 1.00 O ATOM 821 CB SER A 53 24.133 -4.283 -0.057 1.00 1.00 C ATOM 822 OG SER A 53 25.503 -4.498 -0.364 1.00 1.00 O ATOM 0 H SER A 53 24.326 -1.254 -0.336 1.00 1.00 H new ATOM 0 HA SER A 53 23.455 -3.503 -1.940 1.00 1.00 H new ATOM 0 HB2 SER A 53 24.019 -4.041 1.000 1.00 1.00 H new ATOM 0 HB3 SER A 53 23.560 -5.192 -0.239 1.00 1.00 H new ATOM 0 HG SER A 53 25.660 -4.304 -1.312 1.00 1.00 H new ATOM 828 N ILE A 54 21.181 -3.352 -0.793 1.00 1.00 N ATOM 829 CA ILE A 54 19.815 -3.012 -0.366 1.00 1.00 C ATOM 830 C ILE A 54 19.169 -4.186 0.350 1.00 1.00 C ATOM 831 O ILE A 54 19.267 -5.327 -0.096 1.00 1.00 O ATOM 832 CB ILE A 54 18.954 -2.647 -1.581 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.622 -1.503 -2.369 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.552 -2.215 -1.114 1.00 1.00 C ATOM 835 CD1 ILE A 54 19.832 -0.259 -1.484 1.00 1.00 C ATOM 0 H ILE A 54 21.233 -4.155 -1.419 1.00 1.00 H new ATOM 0 HA ILE A 54 19.880 -2.162 0.313 1.00 1.00 H new ATOM 0 HB ILE A 54 18.860 -3.518 -2.230 1.00 1.00 H new ATOM 0 HG12 ILE A 54 20.582 -1.840 -2.759 1.00 1.00 H new ATOM 0 HG13 ILE A 54 19.003 -1.241 -3.227 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.943 -1.956 -1.981 1.00 1.00 H new ATOM 0 HG22 ILE A 54 17.081 -3.034 -0.571 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.638 -1.348 -0.459 1.00 1.00 H new ATOM 0 HD11 ILE A 54 20.305 0.529 -2.070 1.00 1.00 H new ATOM 0 HD12 ILE A 54 18.868 0.092 -1.115 1.00 1.00 H new ATOM 0 HD13 ILE A 54 20.472 -0.517 -0.640 1.00 1.00 H new ATOM 847 N PHE A 55 18.492 -3.893 1.461 1.00 1.00 N ATOM 848 CA PHE A 55 17.806 -4.917 2.251 1.00 1.00 C ATOM 849 C PHE A 55 16.301 -4.712 2.166 1.00 1.00 C ATOM 850 O PHE A 55 15.820 -3.579 2.149 1.00 1.00 O ATOM 851 CB PHE A 55 18.246 -4.808 3.709 1.00 1.00 C ATOM 852 CG PHE A 55 19.732 -5.085 3.795 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.194 -6.399 3.952 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.650 -4.029 3.708 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.569 -6.655 4.025 1.00 1.00 C ATOM 856 CE2 PHE A 55 22.024 -4.287 3.782 1.00 1.00 C ATOM 857 CZ PHE A 55 22.482 -5.599 3.940 1.00 1.00 C ATOM 0 H PHE A 55 18.404 -2.949 1.836 1.00 1.00 H new ATOM 0 HA PHE A 55 18.059 -5.902 1.860 1.00 1.00 H new ATOM 0 HB2 PHE A 55 18.025 -3.813 4.096 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.694 -5.519 4.324 1.00 1.00 H new ATOM 0 HD1 PHE A 55 19.489 -7.215 4.017 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.297 -3.016 3.584 1.00 1.00 H new ATOM 0 HE1 PHE A 55 21.924 -7.668 4.147 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.730 -3.473 3.717 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.542 -5.797 3.996 1.00 1.00 H new ATOM 867 N TYR A 56 15.556 -5.817 2.121 1.00 1.00 N ATOM 868 CA TYR A 56 14.094 -5.765 2.051 1.00 1.00 C ATOM 869 C TYR A 56 13.490 -6.780 3.026 1.00 1.00 C ATOM 870 O TYR A 56 13.680 -7.986 2.879 1.00 1.00 O ATOM 871 CB TYR A 56 13.639 -6.064 0.612 1.00 1.00 C ATOM 872 CG TYR A 56 12.152 -6.367 0.594 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.244 -5.376 0.980 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.686 -7.637 0.223 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.875 -5.653 0.989 1.00 1.00 C ATOM 876 CE2 TYR A 56 10.319 -7.909 0.232 1.00 1.00 C ATOM 877 CZ TYR A 56 9.411 -6.918 0.616 1.00 1.00 C ATOM 878 OH TYR A 56 8.059 -7.187 0.627 1.00 1.00 O ATOM 0 H TYR A 56 15.941 -6.761 2.132 1.00 1.00 H new ATOM 0 HA TYR A 56 13.750 -4.769 2.331 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.853 -5.211 -0.031 1.00 1.00 H new ATOM 0 HB3 TYR A 56 14.197 -6.911 0.213 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.600 -4.399 1.270 1.00 1.00 H new ATOM 0 HD2 TYR A 56 12.387 -8.405 -0.070 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.173 -4.888 1.285 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.961 -8.886 -0.058 1.00 1.00 H new ATOM 0 HH TYR A 56 7.560 -6.364 0.442 1.00 1.00 H new ATOM 888 N VAL A 57 12.749 -6.278 4.013 1.00 1.00 N ATOM 889 CA VAL A 57 12.109 -7.135 4.995 1.00 1.00 C ATOM 890 C VAL A 57 11.062 -6.350 5.777 1.00 1.00 C ATOM 891 O VAL A 57 11.243 -5.171 6.063 1.00 1.00 O ATOM 892 CB VAL A 57 13.161 -7.725 5.943 1.00 1.00 C ATOM 893 CG1 VAL A 57 13.896 -6.595 6.674 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.479 -8.644 6.968 1.00 1.00 C ATOM 0 H VAL A 57 12.580 -5.281 4.149 1.00 1.00 H new ATOM 0 HA VAL A 57 11.609 -7.954 4.478 1.00 1.00 H new ATOM 0 HB VAL A 57 13.879 -8.303 5.362 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.642 -7.021 7.346 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.389 -5.951 5.946 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.180 -6.009 7.251 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.230 -9.061 7.639 1.00 1.00 H new ATOM 0 HG22 VAL A 57 11.754 -8.070 7.546 1.00 1.00 H new ATOM 0 HG23 VAL A 57 11.968 -9.454 6.447 1.00 1.00 H new ATOM 904 N LEU A 58 9.980 -7.015 6.139 1.00 1.00 N ATOM 905 CA LEU A 58 8.917 -6.373 6.911 1.00 1.00 C ATOM 906 C LEU A 58 8.351 -5.145 6.159 1.00 1.00 C ATOM 907 O LEU A 58 8.448 -5.046 4.936 1.00 1.00 O ATOM 908 CB LEU A 58 9.480 -5.967 8.322 1.00 1.00 C ATOM 909 CG LEU A 58 8.739 -6.678 9.480 1.00 1.00 C ATOM 910 CD1 LEU A 58 7.286 -6.176 9.573 1.00 1.00 C ATOM 911 CD2 LEU A 58 8.768 -8.220 9.303 1.00 1.00 C ATOM 0 H LEU A 58 9.809 -7.995 5.915 1.00 1.00 H new ATOM 0 HA LEU A 58 8.094 -7.075 7.045 1.00 1.00 H new ATOM 0 HB2 LEU A 58 10.542 -6.210 8.370 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.394 -4.888 8.448 1.00 1.00 H new ATOM 0 HG LEU A 58 9.256 -6.437 10.409 1.00 1.00 H new ATOM 0 HD11 LEU A 58 6.777 -6.685 10.392 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.283 -5.101 9.756 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.768 -6.386 8.637 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.240 -8.691 10.132 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.283 -8.488 8.364 1.00 1.00 H new ATOM 0 HD23 LEU A 58 9.802 -8.565 9.289 1.00 1.00 H new ATOM 923 N ASP A 59 7.766 -4.219 6.924 1.00 1.00 N ATOM 924 CA ASP A 59 7.178 -2.989 6.384 1.00 1.00 C ATOM 925 C ASP A 59 8.205 -1.852 6.370 1.00 1.00 C ATOM 926 O ASP A 59 7.853 -0.689 6.185 1.00 1.00 O ATOM 927 CB ASP A 59 5.978 -2.583 7.239 1.00 1.00 C ATOM 928 CG ASP A 59 4.897 -3.657 7.155 1.00 1.00 C ATOM 929 OD1 ASP A 59 4.940 -4.444 6.222 1.00 1.00 O ATOM 930 OD2 ASP A 59 4.042 -3.679 8.024 1.00 1.00 O ATOM 0 H ASP A 59 7.686 -4.301 7.938 1.00 1.00 H new ATOM 0 HA ASP A 59 6.859 -3.177 5.359 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.288 -2.446 8.275 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.582 -1.627 6.896 1.00 1.00 H new ATOM 935 N PHE A 60 9.482 -2.192 6.563 1.00 1.00 N ATOM 936 CA PHE A 60 10.559 -1.188 6.559 1.00 1.00 C ATOM 937 C PHE A 60 11.788 -1.739 5.858 1.00 1.00 C ATOM 938 O PHE A 60 12.045 -2.939 5.894 1.00 1.00 O ATOM 939 CB PHE A 60 10.936 -0.790 7.990 1.00 1.00 C ATOM 940 CG PHE A 60 11.356 -2.016 8.781 1.00 1.00 C ATOM 941 CD1 PHE A 60 12.658 -2.523 8.650 1.00 1.00 C ATOM 942 CD2 PHE A 60 10.453 -2.639 9.654 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.052 -3.646 9.385 1.00 1.00 C ATOM 944 CE2 PHE A 60 10.850 -3.764 10.390 1.00 1.00 C ATOM 945 CZ PHE A 60 12.149 -4.267 10.254 1.00 1.00 C ATOM 0 H PHE A 60 9.798 -3.148 6.723 1.00 1.00 H new ATOM 0 HA PHE A 60 10.196 -0.309 6.027 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.749 -0.064 7.971 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.088 -0.307 8.476 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.357 -2.045 7.980 1.00 1.00 H new ATOM 0 HD2 PHE A 60 9.450 -2.252 9.760 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.055 -4.034 9.281 1.00 1.00 H new ATOM 0 HE2 PHE A 60 10.153 -4.243 11.062 1.00 1.00 H new ATOM 0 HZ PHE A 60 12.454 -5.135 10.820 1.00 1.00 H new ATOM 955 N ILE A 61 12.553 -0.848 5.222 1.00 1.00 N ATOM 956 CA ILE A 61 13.766 -1.236 4.507 1.00 1.00 C ATOM 957 C ILE A 61 14.939 -0.381 4.961 1.00 1.00 C ATOM 958 O ILE A 61 14.749 0.710 5.499 1.00 1.00 O ATOM 959 CB ILE A 61 13.534 -1.071 2.999 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.227 0.398 2.660 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.345 -1.945 2.566 1.00 1.00 C ATOM 962 CD1 ILE A 61 13.040 0.548 1.146 1.00 1.00 C ATOM 0 H ILE A 61 12.350 0.151 5.189 1.00 1.00 H new ATOM 0 HA ILE A 61 14.000 -2.278 4.724 1.00 1.00 H new ATOM 0 HB ILE A 61 14.437 -1.378 2.471 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.326 0.722 3.182 1.00 1.00 H new ATOM 0 HG13 ILE A 61 14.040 1.038 3.001 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.179 -1.829 1.495 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.561 -2.990 2.788 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.451 -1.637 3.107 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.823 1.589 0.908 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.952 0.242 0.635 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.212 -0.080 0.818 1.00 1.00 H new ATOM 974 N SER A 62 16.154 -0.877 4.726 1.00 1.00 N ATOM 975 CA SER A 62 17.381 -0.161 5.093 1.00 1.00 C ATOM 976 C SER A 62 18.224 0.027 3.845 1.00 1.00 C ATOM 977 O SER A 62 18.451 -0.924 3.097 1.00 1.00 O ATOM 978 CB SER A 62 18.169 -0.971 6.128 1.00 1.00 C ATOM 979 OG SER A 62 18.874 -2.016 5.471 1.00 1.00 O ATOM 0 H SER A 62 16.318 -1.779 4.279 1.00 1.00 H new ATOM 0 HA SER A 62 17.128 0.808 5.524 1.00 1.00 H new ATOM 0 HB2 SER A 62 18.867 -0.323 6.658 1.00 1.00 H new ATOM 0 HB3 SER A 62 17.491 -1.387 6.873 1.00 1.00 H new ATOM 0 HG SER A 62 18.700 -1.972 4.508 1.00 1.00 H new ATOM 985 N ILE A 63 18.675 1.261 3.612 1.00 1.00 N ATOM 986 CA ILE A 63 19.485 1.577 2.430 1.00 1.00 C ATOM 987 C ILE A 63 20.879 2.005 2.868 1.00 1.00 C ATOM 988 O ILE A 63 21.055 3.076 3.448 1.00 1.00 O ATOM 989 CB ILE A 63 18.805 2.721 1.653 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.335 2.353 1.372 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.526 2.951 0.313 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.600 3.561 0.791 1.00 1.00 C ATOM 0 H ILE A 63 18.495 2.057 4.223 1.00 1.00 H new ATOM 0 HA ILE A 63 19.569 0.699 1.790 1.00 1.00 H new ATOM 0 HB ILE A 63 18.853 3.630 2.253 1.00 1.00 H new ATOM 0 HG12 ILE A 63 17.287 1.517 0.675 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.850 2.029 2.292 1.00 1.00 H new ATOM 0 HG21 ILE A 63 19.038 3.761 -0.228 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.567 3.215 0.500 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.485 2.040 -0.283 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.561 3.295 0.594 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.635 4.385 1.503 1.00 1.00 H new ATOM 0 HD13 ILE A 63 17.079 3.865 -0.140 1.00 1.00 H new ATOM 1004 N ASP A 64 21.874 1.159 2.588 1.00 1.00 N ATOM 1005 CA ASP A 64 23.263 1.450 2.958 1.00 1.00 C ATOM 1006 C ASP A 64 24.041 1.943 1.746 1.00 1.00 C ATOM 1007 O ASP A 64 24.320 1.170 0.828 1.00 1.00 O ATOM 1008 CB ASP A 64 23.925 0.181 3.512 1.00 1.00 C ATOM 1009 CG ASP A 64 23.296 -0.198 4.852 1.00 1.00 C ATOM 1010 OD1 ASP A 64 22.628 0.643 5.431 1.00 1.00 O ATOM 1011 OD2 ASP A 64 23.492 -1.324 5.279 1.00 1.00 O ATOM 0 H ASP A 64 21.745 0.269 2.107 1.00 1.00 H new ATOM 0 HA ASP A 64 23.268 2.228 3.721 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.809 -0.638 2.802 1.00 1.00 H new ATOM 0 HB3 ASP A 64 24.995 0.345 3.637 1.00 1.00 H new ATOM 1016 N LYS A 65 24.391 3.237 1.745 1.00 1.00 N ATOM 1017 CA LYS A 65 25.146 3.839 0.638 1.00 1.00 C ATOM 1018 C LYS A 65 26.448 4.447 1.156 1.00 1.00 C ATOM 1019 O LYS A 65 26.542 4.826 2.320 1.00 1.00 O ATOM 1020 CB LYS A 65 24.299 4.930 -0.037 1.00 1.00 C ATOM 1021 CG LYS A 65 22.841 4.450 -0.170 1.00 1.00 C ATOM 1022 CD LYS A 65 22.056 5.339 -1.160 1.00 1.00 C ATOM 1023 CE LYS A 65 21.733 6.699 -0.527 1.00 1.00 C ATOM 1024 NZ LYS A 65 20.947 6.495 0.724 1.00 1.00 N ATOM 0 H LYS A 65 24.163 3.886 2.498 1.00 1.00 H new ATOM 0 HA LYS A 65 25.383 3.062 -0.089 1.00 1.00 H new ATOM 0 HB2 LYS A 65 24.337 5.848 0.549 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.706 5.163 -1.021 1.00 1.00 H new ATOM 0 HG2 LYS A 65 22.824 3.415 -0.512 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.357 4.471 0.806 1.00 1.00 H new ATOM 0 HD2 LYS A 65 22.641 5.484 -2.068 1.00 1.00 H new ATOM 0 HD3 LYS A 65 21.132 4.839 -1.452 1.00 1.00 H new ATOM 0 HE2 LYS A 65 22.655 7.236 -0.305 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.167 7.312 -1.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 20.355 7.331 0.902 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 20.340 5.657 0.620 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 21.597 6.354 1.523 1.00 1.00 H new ATOM 1038 N GLU A 66 27.449 4.533 0.287 1.00 1.00 N ATOM 1039 CA GLU A 66 28.735 5.096 0.678 1.00 1.00 C ATOM 1040 C GLU A 66 28.591 6.586 0.969 1.00 1.00 C ATOM 1041 O GLU A 66 27.587 7.201 0.609 1.00 1.00 O ATOM 1042 CB GLU A 66 29.755 4.895 -0.442 1.00 1.00 C ATOM 1043 CG GLU A 66 29.973 3.398 -0.670 1.00 1.00 C ATOM 1044 CD GLU A 66 30.955 3.174 -1.818 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.470 4.151 -2.338 1.00 1.00 O ATOM 1046 OE2 GLU A 66 31.174 2.025 -2.164 1.00 1.00 O ATOM 0 H GLU A 66 27.396 4.223 -0.683 1.00 1.00 H new ATOM 0 HA GLU A 66 29.079 4.586 1.578 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.401 5.366 -1.359 1.00 1.00 H new ATOM 0 HB3 GLU A 66 30.698 5.375 -0.180 1.00 1.00 H new ATOM 0 HG2 GLU A 66 30.356 2.937 0.240 1.00 1.00 H new ATOM 0 HG3 GLU A 66 29.022 2.915 -0.896 1.00 1.00 H new ATOM 1053 N ASP A 67 29.592 7.161 1.626 1.00 1.00 N ATOM 1054 CA ASP A 67 29.558 8.579 1.964 1.00 1.00 C ATOM 1055 C ASP A 67 29.419 9.431 0.706 1.00 1.00 C ATOM 1056 O ASP A 67 28.867 10.530 0.750 1.00 1.00 O ATOM 1057 CB ASP A 67 30.841 8.967 2.702 1.00 1.00 C ATOM 1058 CG ASP A 67 32.060 8.640 1.843 1.00 1.00 C ATOM 1059 OD1 ASP A 67 31.895 7.965 0.838 1.00 1.00 O ATOM 1060 OD2 ASP A 67 33.143 9.073 2.201 1.00 1.00 O ATOM 0 H ASP A 67 30.432 6.671 1.934 1.00 1.00 H new ATOM 0 HA ASP A 67 28.696 8.759 2.606 1.00 1.00 H new ATOM 0 HB2 ASP A 67 30.827 10.031 2.937 1.00 1.00 H new ATOM 0 HB3 ASP A 67 30.900 8.432 3.650 1.00 1.00 H new ATOM 1065 N ASN A 68 29.926 8.919 -0.411 1.00 1.00 N ATOM 1066 CA ASN A 68 29.856 9.644 -1.675 1.00 1.00 C ATOM 1067 C ASN A 68 28.422 9.689 -2.188 1.00 1.00 C ATOM 1068 O ASN A 68 28.159 10.204 -3.274 1.00 1.00 O ATOM 1069 CB ASN A 68 30.749 8.962 -2.712 1.00 1.00 C ATOM 1070 CG ASN A 68 32.178 8.874 -2.190 1.00 1.00 C ATOM 1071 OD1 ASN A 68 32.878 7.897 -2.455 1.00 1.00 O ATOM 1072 ND2 ASN A 68 32.656 9.843 -1.457 1.00 1.00 N ATOM 0 H ASN A 68 30.387 8.011 -0.467 1.00 1.00 H new ATOM 0 HA ASN A 68 30.201 10.664 -1.509 1.00 1.00 H new ATOM 0 HB2 ASN A 68 30.370 7.963 -2.930 1.00 1.00 H new ATOM 0 HB3 ASN A 68 30.728 9.522 -3.647 1.00 1.00 H new ATOM 0 HD21 ASN A 68 33.611 9.791 -1.103 1.00 1.00 H new ATOM 0 HD22 ASN A 68 32.074 10.652 -1.239 1.00 1.00 H new ATOM 1079 N ALA A 69 27.491 9.144 -1.399 1.00 1.00 N ATOM 1080 CA ALA A 69 26.078 9.125 -1.782 1.00 1.00 C ATOM 1081 C ALA A 69 25.352 10.322 -1.181 1.00 1.00 C ATOM 1082 O ALA A 69 25.664 10.755 -0.071 1.00 1.00 O ATOM 1083 CB ALA A 69 25.434 7.827 -1.283 1.00 1.00 C ATOM 0 H ALA A 69 27.690 8.713 -0.496 1.00 1.00 H new ATOM 0 HA ALA A 69 26.002 9.178 -2.868 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.382 7.810 -1.567 1.00 1.00 H new ATOM 0 HB2 ALA A 69 25.944 6.973 -1.729 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.518 7.773 -0.198 1.00 1.00 H new ATOM 1089 N ASN A 70 24.379 10.850 -1.917 1.00 1.00 N ATOM 1090 CA ASN A 70 23.596 12.008 -1.451 1.00 1.00 C ATOM 1091 C ASN A 70 22.125 11.837 -1.842 1.00 1.00 C ATOM 1092 O ASN A 70 21.803 11.674 -3.013 1.00 1.00 O ATOM 1093 CB ASN A 70 24.166 13.296 -2.071 1.00 1.00 C ATOM 1094 CG ASN A 70 24.512 13.060 -3.539 1.00 1.00 C ATOM 1095 OD1 ASN A 70 25.328 13.785 -4.107 1.00 1.00 O ATOM 1096 ND2 ASN A 70 23.941 12.083 -4.190 1.00 1.00 N ATOM 0 H ASN A 70 24.108 10.502 -2.837 1.00 1.00 H new ATOM 0 HA ASN A 70 23.661 12.076 -0.365 1.00 1.00 H new ATOM 0 HB2 ASN A 70 23.439 14.103 -1.986 1.00 1.00 H new ATOM 0 HB3 ASN A 70 25.056 13.609 -1.525 1.00 1.00 H new ATOM 0 HD21 ASN A 70 24.171 11.920 -5.170 1.00 1.00 H new ATOM 0 HD22 ASN A 70 23.265 11.483 -3.718 1.00 1.00 H new ATOM 1103 N TRP A 71 21.240 11.881 -0.849 1.00 1.00 N ATOM 1104 CA TRP A 71 19.808 11.726 -1.101 1.00 1.00 C ATOM 1105 C TRP A 71 19.267 12.878 -1.944 1.00 1.00 C ATOM 1106 O TRP A 71 18.281 12.723 -2.663 1.00 1.00 O ATOM 1107 CB TRP A 71 19.040 11.661 0.226 1.00 1.00 C ATOM 1108 CG TRP A 71 19.723 10.703 1.153 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.051 9.426 0.850 1.00 1.00 C ATOM 1110 CD2 TRP A 71 20.167 10.923 2.525 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.671 8.852 1.946 1.00 1.00 N ATOM 1112 CE2 TRP A 71 20.766 9.733 3.002 1.00 1.00 C ATOM 1113 CE3 TRP A 71 20.113 12.029 3.392 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 21.288 9.641 4.291 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 20.639 11.940 4.691 1.00 1.00 C ATOM 1116 CH2 TRP A 71 21.225 10.749 5.140 1.00 1.00 C ATOM 0 H TRP A 71 21.486 12.022 0.131 1.00 1.00 H new ATOM 0 HA TRP A 71 19.667 10.796 -1.652 1.00 1.00 H new ATOM 0 HB2 TRP A 71 18.993 12.651 0.680 1.00 1.00 H new ATOM 0 HB3 TRP A 71 18.013 11.342 0.049 1.00 1.00 H new ATOM 0 HD1 TRP A 71 19.860 8.935 -0.093 1.00 1.00 H new ATOM 0 HE1 TRP A 71 21.016 7.892 1.970 1.00 1.00 H new ATOM 0 HE3 TRP A 71 19.664 12.952 3.057 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 21.738 8.720 4.631 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 20.592 12.795 5.349 1.00 1.00 H new ATOM 0 HH2 TRP A 71 21.627 10.688 6.140 1.00 1.00 H new ATOM 1127 N ASN A 72 19.917 14.031 -1.844 1.00 1.00 N ATOM 1128 CA ASN A 72 19.489 15.212 -2.590 1.00 1.00 C ATOM 1129 C ASN A 72 19.468 14.922 -4.087 1.00 1.00 C ATOM 1130 O ASN A 72 18.861 15.659 -4.865 1.00 1.00 O ATOM 1131 CB ASN A 72 20.446 16.368 -2.297 1.00 1.00 C ATOM 1132 CG ASN A 72 20.613 16.522 -0.790 1.00 1.00 C ATOM 1133 OD1 ASN A 72 19.838 17.230 -0.146 1.00 1.00 O ATOM 1134 ND2 ASN A 72 21.578 15.886 -0.184 1.00 1.00 N ATOM 0 H ASN A 72 20.739 14.175 -1.257 1.00 1.00 H new ATOM 0 HA ASN A 72 18.480 15.482 -2.279 1.00 1.00 H new ATOM 0 HB2 ASN A 72 21.413 16.180 -2.763 1.00 1.00 H new ATOM 0 HB3 ASN A 72 20.059 17.292 -2.727 1.00 1.00 H new ATOM 0 HD21 ASN A 72 21.692 15.975 0.826 1.00 1.00 H new ATOM 0 HD22 ASN A 72 22.218 15.300 -0.720 1.00 1.00 H new ATOM 1141 N GLU A 73 20.132 13.837 -4.483 1.00 1.00 N ATOM 1142 CA GLU A 73 20.186 13.440 -5.893 1.00 1.00 C ATOM 1143 C GLU A 73 19.115 12.393 -6.198 1.00 1.00 C ATOM 1144 O GLU A 73 18.573 12.360 -7.301 1.00 1.00 O ATOM 1145 CB GLU A 73 21.576 12.883 -6.234 1.00 1.00 C ATOM 1146 CG GLU A 73 22.613 14.013 -6.160 1.00 1.00 C ATOM 1147 CD GLU A 73 23.999 13.488 -6.530 1.00 1.00 C ATOM 1148 OE1 GLU A 73 24.109 12.309 -6.827 1.00 1.00 O ATOM 1149 OE2 GLU A 73 24.933 14.273 -6.508 1.00 1.00 O ATOM 0 H GLU A 73 20.639 13.218 -3.851 1.00 1.00 H new ATOM 0 HA GLU A 73 19.996 14.321 -6.506 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.841 12.086 -5.539 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.569 12.446 -7.233 1.00 1.00 H new ATOM 0 HG2 GLU A 73 22.330 14.820 -6.836 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.632 14.432 -5.154 1.00 1.00 H new ATOM 1156 N LEU A 74 18.817 11.533 -5.220 1.00 1.00 N ATOM 1157 CA LEU A 74 17.804 10.489 -5.413 1.00 1.00 C ATOM 1158 C LEU A 74 16.398 11.076 -5.374 1.00 1.00 C ATOM 1159 O LEU A 74 15.501 10.569 -6.042 1.00 1.00 O ATOM 1160 CB LEU A 74 17.933 9.390 -4.338 1.00 1.00 C ATOM 1161 CG LEU A 74 19.121 8.453 -4.659 1.00 1.00 C ATOM 1162 CD1 LEU A 74 18.890 7.674 -5.981 1.00 1.00 C ATOM 1163 CD2 LEU A 74 20.419 9.289 -4.750 1.00 1.00 C ATOM 0 H LEU A 74 19.255 11.537 -4.299 1.00 1.00 H new ATOM 0 HA LEU A 74 17.975 10.047 -6.395 1.00 1.00 H new ATOM 0 HB2 LEU A 74 18.077 9.846 -3.359 1.00 1.00 H new ATOM 0 HB3 LEU A 74 17.010 8.812 -4.288 1.00 1.00 H new ATOM 0 HG LEU A 74 19.209 7.719 -3.858 1.00 1.00 H new ATOM 0 HD11 LEU A 74 19.744 7.026 -6.175 1.00 1.00 H new ATOM 0 HD12 LEU A 74 17.988 7.069 -5.894 1.00 1.00 H new ATOM 0 HD13 LEU A 74 18.776 8.380 -6.804 1.00 1.00 H new ATOM 0 HD21 LEU A 74 21.259 8.633 -4.976 1.00 1.00 H new ATOM 0 HD22 LEU A 74 20.318 10.034 -5.539 1.00 1.00 H new ATOM 0 HD23 LEU A 74 20.596 9.791 -3.799 1.00 1.00 H new ATOM 1175 N LEU A 75 16.210 12.143 -4.594 1.00 1.00 N ATOM 1176 CA LEU A 75 14.896 12.787 -4.481 1.00 1.00 C ATOM 1177 C LEU A 75 14.203 12.873 -5.863 1.00 1.00 C ATOM 1178 O LEU A 75 13.135 12.303 -6.058 1.00 1.00 O ATOM 1179 CB LEU A 75 15.038 14.211 -3.852 1.00 1.00 C ATOM 1180 CG LEU A 75 14.634 14.221 -2.357 1.00 1.00 C ATOM 1181 CD1 LEU A 75 15.664 13.449 -1.529 1.00 1.00 C ATOM 1182 CD2 LEU A 75 14.568 15.667 -1.856 1.00 1.00 C ATOM 0 H LEU A 75 16.944 12.578 -4.035 1.00 1.00 H new ATOM 0 HA LEU A 75 14.274 12.177 -3.826 1.00 1.00 H new ATOM 0 HB2 LEU A 75 16.068 14.552 -3.953 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.414 14.915 -4.402 1.00 1.00 H new ATOM 0 HG LEU A 75 13.658 13.747 -2.250 1.00 1.00 H new ATOM 0 HD11 LEU A 75 15.371 13.462 -0.479 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.713 12.418 -1.879 1.00 1.00 H new ATOM 0 HD13 LEU A 75 16.643 13.916 -1.638 1.00 1.00 H new ATOM 0 HD21 LEU A 75 14.284 15.675 -0.804 1.00 1.00 H new ATOM 0 HD22 LEU A 75 15.545 16.137 -1.972 1.00 1.00 H new ATOM 0 HD23 LEU A 75 13.829 16.220 -2.436 1.00 1.00 H new ATOM 1194 N PRO A 76 14.779 13.571 -6.811 1.00 1.00 N ATOM 1195 CA PRO A 76 14.174 13.711 -8.176 1.00 1.00 C ATOM 1196 C PRO A 76 14.082 12.373 -8.924 1.00 1.00 C ATOM 1197 O PRO A 76 13.239 12.208 -9.808 1.00 1.00 O ATOM 1198 CB PRO A 76 15.134 14.697 -8.889 1.00 1.00 C ATOM 1199 CG PRO A 76 16.436 14.514 -8.176 1.00 1.00 C ATOM 1200 CD PRO A 76 16.055 14.310 -6.709 1.00 1.00 C ATOM 0 HA PRO A 76 13.143 14.063 -8.137 1.00 1.00 H new ATOM 0 HB2 PRO A 76 15.225 14.468 -9.951 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.779 15.725 -8.814 1.00 1.00 H new ATOM 0 HG2 PRO A 76 16.983 13.655 -8.565 1.00 1.00 H new ATOM 0 HG3 PRO A 76 17.080 15.385 -8.300 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.812 13.741 -6.168 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.934 15.258 -6.185 1.00 1.00 H new ATOM 1208 N GLN A 77 14.944 11.420 -8.567 1.00 1.00 N ATOM 1209 CA GLN A 77 14.940 10.106 -9.217 1.00 1.00 C ATOM 1210 C GLN A 77 13.823 9.213 -8.673 1.00 1.00 C ATOM 1211 O GLN A 77 12.995 8.702 -9.425 1.00 1.00 O ATOM 1212 CB GLN A 77 16.290 9.420 -8.989 1.00 1.00 C ATOM 1213 CG GLN A 77 17.425 10.309 -9.510 1.00 1.00 C ATOM 1214 CD GLN A 77 17.340 10.429 -11.028 1.00 1.00 C ATOM 1215 OE1 GLN A 77 17.315 9.419 -11.730 1.00 1.00 O ATOM 1216 NE2 GLN A 77 17.285 11.610 -11.578 1.00 1.00 N ATOM 0 H GLN A 77 15.649 11.530 -7.838 1.00 1.00 H new ATOM 0 HA GLN A 77 14.767 10.258 -10.282 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.431 9.221 -7.927 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.308 8.457 -9.499 1.00 1.00 H new ATOM 0 HG2 GLN A 77 17.362 11.297 -9.055 1.00 1.00 H new ATOM 0 HG3 GLN A 77 18.389 9.887 -9.224 1.00 1.00 H new ATOM 0 HE21 GLN A 77 17.306 12.446 -10.994 1.00 1.00 H new ATOM 0 HE22 GLN A 77 17.221 11.698 -12.592 1.00 1.00 H new ATOM 1225 N ILE A 78 13.820 9.022 -7.357 1.00 1.00 N ATOM 1226 CA ILE A 78 12.816 8.173 -6.717 1.00 1.00 C ATOM 1227 C ILE A 78 11.422 8.770 -6.862 1.00 1.00 C ATOM 1228 O ILE A 78 10.454 8.051 -7.071 1.00 1.00 O ATOM 1229 CB ILE A 78 13.151 7.950 -5.232 1.00 1.00 C ATOM 1230 CG1 ILE A 78 13.203 9.313 -4.464 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.505 7.230 -5.150 1.00 1.00 C ATOM 1232 CD1 ILE A 78 11.905 9.548 -3.679 1.00 1.00 C ATOM 0 H ILE A 78 14.495 9.439 -6.716 1.00 1.00 H new ATOM 0 HA ILE A 78 12.829 7.207 -7.222 1.00 1.00 H new ATOM 0 HB ILE A 78 12.376 7.342 -4.764 1.00 1.00 H new ATOM 0 HG12 ILE A 78 14.052 9.318 -3.781 1.00 1.00 H new ATOM 0 HG13 ILE A 78 13.358 10.128 -5.171 1.00 1.00 H new ATOM 0 HG21 ILE A 78 14.764 7.061 -4.105 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.440 6.273 -5.668 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.273 7.845 -5.619 1.00 1.00 H new ATOM 0 HD11 ILE A 78 11.965 10.501 -3.154 1.00 1.00 H new ATOM 0 HD12 ILE A 78 11.061 9.566 -4.369 1.00 1.00 H new ATOM 0 HD13 ILE A 78 11.766 8.744 -2.957 1.00 1.00 H new ATOM 1244 N GLU A 79 11.315 10.085 -6.746 1.00 1.00 N ATOM 1245 CA GLU A 79 10.012 10.743 -6.859 1.00 1.00 C ATOM 1246 C GLU A 79 9.268 10.257 -8.111 1.00 1.00 C ATOM 1247 O GLU A 79 8.039 10.220 -8.141 1.00 1.00 O ATOM 1248 CB GLU A 79 10.213 12.262 -6.924 1.00 1.00 C ATOM 1249 CG GLU A 79 8.865 12.978 -6.884 1.00 1.00 C ATOM 1250 CD GLU A 79 9.073 14.490 -6.902 1.00 1.00 C ATOM 1251 OE1 GLU A 79 10.189 14.923 -6.659 1.00 1.00 O ATOM 1252 OE2 GLU A 79 8.111 15.197 -7.156 1.00 1.00 O ATOM 0 H GLU A 79 12.099 10.714 -6.576 1.00 1.00 H new ATOM 0 HA GLU A 79 9.411 10.492 -5.985 1.00 1.00 H new ATOM 0 HB2 GLU A 79 10.831 12.590 -6.088 1.00 1.00 H new ATOM 0 HB3 GLU A 79 10.746 12.526 -7.838 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.259 12.676 -7.738 1.00 1.00 H new ATOM 0 HG3 GLU A 79 8.318 12.689 -5.987 1.00 1.00 H new ATOM 1259 N ASN A 80 10.018 9.878 -9.139 1.00 1.00 N ATOM 1260 CA ASN A 80 9.416 9.386 -10.377 1.00 1.00 C ATOM 1261 C ASN A 80 8.784 7.998 -10.178 1.00 1.00 C ATOM 1262 O ASN A 80 7.868 7.617 -10.907 1.00 1.00 O ATOM 1263 CB ASN A 80 10.480 9.323 -11.478 1.00 1.00 C ATOM 1264 CG ASN A 80 10.950 10.733 -11.829 1.00 1.00 C ATOM 1265 OD1 ASN A 80 10.138 11.655 -11.911 1.00 1.00 O ATOM 1266 ND2 ASN A 80 12.218 10.957 -12.037 1.00 1.00 N ATOM 0 H ASN A 80 11.038 9.901 -9.143 1.00 1.00 H new ATOM 0 HA ASN A 80 8.625 10.076 -10.670 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.325 8.721 -11.145 1.00 1.00 H new ATOM 0 HB3 ASN A 80 10.071 8.836 -12.363 1.00 1.00 H new ATOM 0 HD21 ASN A 80 12.539 11.897 -12.268 1.00 1.00 H new ATOM 0 HD22 ASN A 80 12.889 10.192 -11.969 1.00 1.00 H new ATOM 1273 N THR A 81 9.292 7.241 -9.202 1.00 1.00 N ATOM 1274 CA THR A 81 8.782 5.891 -8.938 1.00 1.00 C ATOM 1275 C THR A 81 7.302 5.904 -8.563 1.00 1.00 C ATOM 1276 O THR A 81 6.507 5.135 -9.101 1.00 1.00 O ATOM 1277 CB THR A 81 9.554 5.247 -7.782 1.00 1.00 C ATOM 1278 OG1 THR A 81 9.381 6.029 -6.611 1.00 1.00 O ATOM 1279 CG2 THR A 81 11.046 5.151 -8.120 1.00 1.00 C ATOM 0 H THR A 81 10.050 7.536 -8.586 1.00 1.00 H new ATOM 0 HA THR A 81 8.914 5.321 -9.858 1.00 1.00 H new ATOM 0 HB THR A 81 9.169 4.241 -7.616 1.00 1.00 H new ATOM 0 HG1 THR A 81 9.303 5.439 -5.832 1.00 1.00 H new ATOM 0 HG21 THR A 81 11.579 4.691 -7.288 1.00 1.00 H new ATOM 0 HG22 THR A 81 11.178 4.543 -9.015 1.00 1.00 H new ATOM 0 HG23 THR A 81 11.444 6.150 -8.298 1.00 1.00 H new ATOM 1287 N PHE A 82 6.943 6.779 -7.627 1.00 1.00 N ATOM 1288 CA PHE A 82 5.553 6.886 -7.173 1.00 1.00 C ATOM 1289 C PHE A 82 4.711 7.638 -8.214 1.00 1.00 C ATOM 1290 O PHE A 82 3.535 7.348 -8.407 1.00 1.00 O ATOM 1291 CB PHE A 82 5.505 7.600 -5.785 1.00 1.00 C ATOM 1292 CG PHE A 82 4.994 9.021 -5.940 1.00 1.00 C ATOM 1293 CD1 PHE A 82 3.616 9.260 -5.975 1.00 1.00 C ATOM 1294 CD2 PHE A 82 5.892 10.076 -6.101 1.00 1.00 C ATOM 1295 CE1 PHE A 82 3.134 10.559 -6.159 1.00 1.00 C ATOM 1296 CE2 PHE A 82 5.410 11.379 -6.292 1.00 1.00 C ATOM 1297 CZ PHE A 82 4.031 11.619 -6.320 1.00 1.00 C ATOM 0 H PHE A 82 7.589 7.422 -7.169 1.00 1.00 H new ATOM 0 HA PHE A 82 5.131 5.887 -7.060 1.00 1.00 H new ATOM 0 HB2 PHE A 82 4.857 7.046 -5.106 1.00 1.00 H new ATOM 0 HB3 PHE A 82 6.500 7.611 -5.339 1.00 1.00 H new ATOM 0 HD1 PHE A 82 2.923 8.439 -5.860 1.00 1.00 H new ATOM 0 HD2 PHE A 82 6.956 9.890 -6.079 1.00 1.00 H new ATOM 0 HE1 PHE A 82 2.070 10.744 -6.177 1.00 1.00 H new ATOM 0 HE2 PHE A 82 6.103 12.198 -6.418 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.660 12.623 -6.466 1.00 1.00 H new ATOM 1307 N ALA A 83 5.326 8.625 -8.856 1.00 1.00 N ATOM 1308 CA ALA A 83 4.623 9.432 -9.845 1.00 1.00 C ATOM 1309 C ALA A 83 4.027 8.543 -10.929 1.00 1.00 C ATOM 1310 O ALA A 83 2.926 8.795 -11.418 1.00 1.00 O ATOM 1311 CB ALA A 83 5.585 10.445 -10.475 1.00 1.00 C ATOM 0 H ALA A 83 6.302 8.884 -8.711 1.00 1.00 H new ATOM 0 HA ALA A 83 3.815 9.967 -9.346 1.00 1.00 H new ATOM 0 HB1 ALA A 83 5.051 11.044 -11.213 1.00 1.00 H new ATOM 0 HB2 ALA A 83 5.985 11.098 -9.699 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.404 9.915 -10.962 1.00 1.00 H new ATOM 1317 N LYS A 84 4.762 7.504 -11.300 1.00 1.00 N ATOM 1318 CA LYS A 84 4.301 6.577 -12.330 1.00 1.00 C ATOM 1319 C LYS A 84 3.088 5.781 -11.832 1.00 1.00 C ATOM 1320 O LYS A 84 2.522 4.969 -12.563 1.00 1.00 O ATOM 1321 CB LYS A 84 5.449 5.620 -12.712 1.00 1.00 C ATOM 1322 CG LYS A 84 5.228 5.038 -14.127 1.00 1.00 C ATOM 1323 CD LYS A 84 6.146 3.831 -14.358 1.00 1.00 C ATOM 1324 CE LYS A 84 7.610 4.222 -14.101 1.00 1.00 C ATOM 1325 NZ LYS A 84 7.897 5.541 -14.735 1.00 1.00 N ATOM 0 H LYS A 84 5.676 7.280 -10.907 1.00 1.00 H new ATOM 0 HA LYS A 84 3.998 7.145 -13.210 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.400 6.152 -12.677 1.00 1.00 H new ATOM 0 HB3 LYS A 84 5.510 4.810 -11.986 1.00 1.00 H new ATOM 0 HG2 LYS A 84 4.187 4.739 -14.246 1.00 1.00 H new ATOM 0 HG3 LYS A 84 5.427 5.803 -14.877 1.00 1.00 H new ATOM 0 HD2 LYS A 84 5.858 3.014 -13.696 1.00 1.00 H new ATOM 0 HD3 LYS A 84 6.033 3.469 -15.380 1.00 1.00 H new ATOM 0 HE2 LYS A 84 7.800 4.274 -13.029 1.00 1.00 H new ATOM 0 HE3 LYS A 84 8.276 3.460 -14.506 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 8.889 5.568 -15.046 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 7.273 5.675 -15.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 7.730 6.301 -14.045 1.00 1.00 H new ATOM 1339 N SER A 85 2.693 6.028 -10.588 1.00 1.00 N ATOM 1340 CA SER A 85 1.542 5.330 -10.015 1.00 1.00 C ATOM 1341 C SER A 85 0.282 5.626 -10.821 1.00 1.00 C ATOM 1342 O SER A 85 -0.599 4.775 -10.948 1.00 1.00 O ATOM 1343 CB SER A 85 1.323 5.745 -8.556 1.00 1.00 C ATOM 1344 OG SER A 85 1.130 7.152 -8.487 1.00 1.00 O ATOM 0 H SER A 85 3.143 6.696 -9.962 1.00 1.00 H new ATOM 0 HA SER A 85 1.749 4.260 -10.051 1.00 1.00 H new ATOM 0 HB2 SER A 85 0.456 5.228 -8.146 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.182 5.455 -7.951 1.00 1.00 H new ATOM 0 HG SER A 85 1.936 7.575 -8.124 1.00 1.00 H new ATOM 1350 N ASN A 86 0.203 6.835 -11.367 1.00 1.00 N ATOM 1351 CA ASN A 86 -0.955 7.227 -12.164 1.00 1.00 C ATOM 1352 C ASN A 86 -1.179 6.239 -13.305 1.00 1.00 C ATOM 1353 O ASN A 86 -2.256 6.259 -13.877 1.00 1.00 O ATOM 1354 CB ASN A 86 -0.749 8.633 -12.733 1.00 1.00 C ATOM 1355 CG ASN A 86 0.476 8.656 -13.642 1.00 1.00 C ATOM 1356 OD1 ASN A 86 1.043 7.608 -13.951 1.00 1.00 O ATOM 1357 ND2 ASN A 86 0.920 9.798 -14.093 1.00 1.00 N ATOM 0 H ASN A 86 0.920 7.555 -11.274 1.00 1.00 H new ATOM 0 HA ASN A 86 -1.834 7.224 -11.519 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -1.633 8.940 -13.292 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -0.622 9.348 -11.920 1.00 1.00 H new ATOM 0 HD21 ASN A 86 1.738 9.823 -14.702 1.00 1.00 H new ATOM 0 HD22 ASN A 86 0.449 10.666 -13.836 1.00 1.00 H new TER 1364 ASN A 86