USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot 70:sc= 0.138 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -2.29 K(o=-2.1,f=-3.6!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.667 X(o=-0.55,f=-0.26) USER MOD Set 2.2: A 113 SER OG : rot 38:sc= 0.113 USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0659 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -4:sc= 0.391 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 169:sc= -0.764 (180deg=-0.989) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0776 K(o=-0.078,f=-1.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 66:sc= 0.651 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.849 K(o=-0.85,f=-2.5) USER MOD Single : A 49 SER OG : rot -24:sc= -0.698 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -40:sc= -1.54 USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= -0.791 (180deg=-2.4!) USER MOD Single : A 68 MET CE :methyl -113:sc= -1.71! (180deg=-2.5!) USER MOD Single : A 69 CYS SG : rot 30:sc= 0.187 USER MOD Single : A 74 TYR OH : rot -34:sc= 1.78 USER MOD Single : A 75 THR OG1 : rot 147:sc= 1.18 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.631 F(o=-1.4,f=-0.63) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -102:sc= 1.12 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.692 K(o=-0.69,f=-3.8!) USER MOD Single : A 111 TYR OH : rot 66:sc= -0.035 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 45:sc= 0.157 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -169:sc= 0 (180deg=-0.076) USER MOD Single : B 3 ASN : amide:sc= -2.36 K(o=-2.4,f=-5.3!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN :FLIP amide:sc= -2.78! C(o=-3.8!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.068 -3.945 -24.020 1.00 0.00 N ATOM 2 CA GLY A 1 17.058 -4.805 -22.851 1.00 0.00 C ATOM 3 C GLY A 1 15.843 -5.709 -22.805 1.00 0.00 C ATOM 4 O GLY A 1 14.833 -5.435 -23.453 1.00 0.00 O ATOM 0 H1 GLY A 1 17.701 -4.346 -24.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.105 -3.873 -24.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.405 -2.998 -23.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.961 -5.415 -22.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.083 -4.190 -21.951 1.00 0.00 H new ATOM 8 N SER A 2 15.942 -6.792 -22.040 1.00 0.00 N ATOM 9 CA SER A 2 14.843 -7.743 -21.918 1.00 0.00 C ATOM 10 C SER A 2 13.835 -7.278 -20.870 1.00 0.00 C ATOM 11 O SER A 2 14.023 -6.245 -20.229 1.00 0.00 O ATOM 12 CB SER A 2 15.379 -9.128 -21.547 1.00 0.00 C ATOM 13 OG SER A 2 14.405 -10.130 -21.780 1.00 0.00 O ATOM 0 H SER A 2 16.771 -7.032 -21.496 1.00 0.00 H new ATOM 0 HA SER A 2 14.337 -7.802 -22.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.274 -9.344 -22.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.673 -9.139 -20.497 1.00 0.00 H new ATOM 0 HG SER A 2 14.772 -11.006 -21.537 1.00 0.00 H new ATOM 19 N SER A 3 12.766 -8.049 -20.703 1.00 0.00 N ATOM 20 CA SER A 3 11.726 -7.716 -19.737 1.00 0.00 C ATOM 21 C SER A 3 11.773 -8.661 -18.540 1.00 0.00 C ATOM 22 O SER A 3 11.914 -9.873 -18.697 1.00 0.00 O ATOM 23 CB SER A 3 10.347 -7.780 -20.397 1.00 0.00 C ATOM 24 OG SER A 3 10.303 -6.978 -21.565 1.00 0.00 O ATOM 0 H SER A 3 12.597 -8.909 -21.224 1.00 0.00 H new ATOM 0 HA SER A 3 11.905 -6.701 -19.384 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.110 -8.813 -20.652 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.587 -7.443 -19.692 1.00 0.00 H new ATOM 0 HG SER A 3 9.412 -7.037 -21.969 1.00 0.00 H new ATOM 30 N GLY A 4 11.656 -8.094 -17.343 1.00 0.00 N ATOM 31 CA GLY A 4 11.689 -8.899 -16.135 1.00 0.00 C ATOM 32 C GLY A 4 11.238 -8.126 -14.912 1.00 0.00 C ATOM 33 O GLY A 4 12.020 -7.903 -13.988 1.00 0.00 O ATOM 0 H GLY A 4 11.539 -7.093 -17.188 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.049 -9.772 -16.266 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.702 -9.268 -15.975 1.00 0.00 H new ATOM 37 N SER A 5 9.974 -7.717 -14.905 1.00 0.00 N ATOM 38 CA SER A 5 9.421 -6.960 -13.788 1.00 0.00 C ATOM 39 C SER A 5 8.300 -7.736 -13.107 1.00 0.00 C ATOM 40 O SER A 5 7.769 -8.698 -13.664 1.00 0.00 O ATOM 41 CB SER A 5 8.900 -5.604 -14.270 1.00 0.00 C ATOM 42 OG SER A 5 7.799 -5.766 -15.149 1.00 0.00 O ATOM 0 H SER A 5 9.313 -7.897 -15.661 1.00 0.00 H new ATOM 0 HA SER A 5 10.218 -6.797 -13.063 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.600 -5.000 -13.413 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.699 -5.063 -14.778 1.00 0.00 H new ATOM 0 HG SER A 5 7.482 -4.886 -15.442 1.00 0.00 H new ATOM 48 N SER A 6 7.944 -7.313 -11.898 1.00 0.00 N ATOM 49 CA SER A 6 6.887 -7.971 -11.137 1.00 0.00 C ATOM 50 C SER A 6 5.717 -7.021 -10.900 1.00 0.00 C ATOM 51 O SER A 6 5.129 -7.001 -9.820 1.00 0.00 O ATOM 52 CB SER A 6 7.431 -8.473 -9.799 1.00 0.00 C ATOM 53 OG SER A 6 8.235 -9.626 -9.976 1.00 0.00 O ATOM 0 H SER A 6 8.372 -6.518 -11.424 1.00 0.00 H new ATOM 0 HA SER A 6 6.530 -8.821 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.017 -7.687 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.602 -8.703 -9.129 1.00 0.00 H new ATOM 0 HG SER A 6 8.572 -9.926 -9.106 1.00 0.00 H new ATOM 59 N GLY A 7 5.385 -6.234 -11.919 1.00 0.00 N ATOM 60 CA GLY A 7 4.288 -5.291 -11.802 1.00 0.00 C ATOM 61 C GLY A 7 4.510 -4.276 -10.700 1.00 0.00 C ATOM 62 O GLY A 7 5.310 -3.352 -10.850 1.00 0.00 O ATOM 0 H GLY A 7 5.856 -6.233 -12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.158 -4.770 -12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.364 -5.836 -11.609 1.00 0.00 H new ATOM 66 N TRP A 8 3.802 -4.446 -9.589 1.00 0.00 N ATOM 67 CA TRP A 8 3.926 -3.534 -8.458 1.00 0.00 C ATOM 68 C TRP A 8 4.476 -4.257 -7.233 1.00 0.00 C ATOM 69 O TRP A 8 4.218 -3.860 -6.097 1.00 0.00 O ATOM 70 CB TRP A 8 2.568 -2.910 -8.128 1.00 0.00 C ATOM 71 CG TRP A 8 1.407 -3.774 -8.517 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.392 -3.449 -9.370 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.142 -5.106 -8.066 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.489 -4.498 -9.476 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.051 -5.527 -8.687 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.796 -5.987 -7.200 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.600 -6.787 -8.466 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.250 -7.237 -6.981 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.062 -7.629 -7.613 1.00 0.00 C ATOM 0 H TRP A 8 3.137 -5.206 -9.447 1.00 0.00 H new ATOM 0 HA TRP A 8 4.624 -2.744 -8.736 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.519 -2.709 -7.058 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.484 -1.950 -8.637 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.296 -2.505 -9.886 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.332 -4.508 -10.050 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.713 -5.695 -6.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.516 -7.090 -8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.747 -7.924 -6.312 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.339 -8.614 -7.424 1.00 0.00 H new ATOM 90 N TYR A 9 5.236 -5.320 -7.472 1.00 0.00 N ATOM 91 CA TYR A 9 5.823 -6.100 -6.388 1.00 0.00 C ATOM 92 C TYR A 9 7.289 -5.731 -6.182 1.00 0.00 C ATOM 93 O TYR A 9 8.110 -5.870 -7.088 1.00 0.00 O ATOM 94 CB TYR A 9 5.699 -7.596 -6.684 1.00 0.00 C ATOM 95 CG TYR A 9 5.671 -8.458 -5.442 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.552 -8.488 -4.619 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.765 -9.240 -5.091 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.524 -9.274 -3.482 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.744 -10.029 -3.958 1.00 0.00 C ATOM 100 CZ TYR A 9 5.621 -10.043 -3.156 1.00 0.00 C ATOM 101 OH TYR A 9 5.597 -10.828 -2.026 1.00 0.00 O ATOM 0 H TYR A 9 5.460 -5.662 -8.407 1.00 0.00 H new ATOM 0 HA TYR A 9 5.278 -5.870 -5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.789 -7.770 -7.258 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.535 -7.904 -7.311 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.690 -7.888 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.646 -9.230 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.647 -9.286 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.602 -10.632 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 9 4.760 -10.676 -1.540 1.00 0.00 H new ATOM 111 N HIS A 10 7.609 -5.259 -4.982 1.00 0.00 N ATOM 112 CA HIS A 10 8.976 -4.870 -4.653 1.00 0.00 C ATOM 113 C HIS A 10 9.670 -5.958 -3.839 1.00 0.00 C ATOM 114 O HIS A 10 10.819 -6.309 -4.104 1.00 0.00 O ATOM 115 CB HIS A 10 8.982 -3.553 -3.876 1.00 0.00 C ATOM 116 CG HIS A 10 8.578 -2.370 -4.701 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.488 -1.525 -5.302 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.353 -1.891 -5.024 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.840 -0.579 -5.958 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.543 -0.778 -5.805 1.00 0.00 N ATOM 0 H HIS A 10 6.941 -5.136 -4.221 1.00 0.00 H new ATOM 0 HA HIS A 10 9.523 -4.735 -5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.307 -3.640 -3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.981 -3.382 -3.475 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.403 -2.307 -4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.294 0.221 -6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.803 -0.199 -6.202 1.00 0.00 H new ATOM 129 N GLY A 11 8.963 -6.487 -2.844 1.00 0.00 N ATOM 130 CA GLY A 11 9.528 -7.529 -2.006 1.00 0.00 C ATOM 131 C GLY A 11 10.202 -6.973 -0.767 1.00 0.00 C ATOM 132 O GLY A 11 9.553 -6.360 0.080 1.00 0.00 O ATOM 0 H GLY A 11 8.010 -6.213 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.739 -8.219 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.252 -8.103 -2.584 1.00 0.00 H new ATOM 136 N HIS A 12 11.509 -7.192 -0.658 1.00 0.00 N ATOM 137 CA HIS A 12 12.272 -6.710 0.488 1.00 0.00 C ATOM 138 C HIS A 12 12.220 -5.187 0.573 1.00 0.00 C ATOM 139 O HIS A 12 12.929 -4.490 -0.151 1.00 0.00 O ATOM 140 CB HIS A 12 13.724 -7.177 0.393 1.00 0.00 C ATOM 141 CG HIS A 12 13.950 -8.546 0.955 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.845 -9.696 0.201 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.280 -8.947 2.206 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.099 -10.745 0.964 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.366 -10.318 2.185 1.00 0.00 N ATOM 0 H HIS A 12 12.061 -7.700 -1.349 1.00 0.00 H new ATOM 0 HA HIS A 12 11.824 -7.123 1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.033 -7.167 -0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.361 -6.467 0.921 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.445 -8.308 3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.090 -11.776 0.643 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.598 -10.910 2.983 1.00 0.00 H new ATOM 154 N MET A 13 11.374 -4.678 1.464 1.00 0.00 N ATOM 155 CA MET A 13 11.230 -3.238 1.644 1.00 0.00 C ATOM 156 C MET A 13 10.665 -2.916 3.024 1.00 0.00 C ATOM 157 O MET A 13 9.628 -3.450 3.420 1.00 0.00 O ATOM 158 CB MET A 13 10.322 -2.655 0.559 1.00 0.00 C ATOM 159 CG MET A 13 10.504 -1.160 0.353 1.00 0.00 C ATOM 160 SD MET A 13 11.789 -0.777 -0.853 1.00 0.00 S ATOM 161 CE MET A 13 10.805 -0.542 -2.331 1.00 0.00 C ATOM 0 H MET A 13 10.779 -5.241 2.072 1.00 0.00 H new ATOM 0 HA MET A 13 12.219 -2.786 1.562 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.517 -3.170 -0.382 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.283 -2.854 0.821 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.560 -0.725 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.755 -0.694 1.306 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.426 -0.111 -3.117 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.414 -1.503 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.976 0.131 -2.113 1.00 0.00 H new ATOM 171 N SER A 14 11.353 -2.043 3.752 1.00 0.00 N ATOM 172 CA SER A 14 10.921 -1.654 5.088 1.00 0.00 C ATOM 173 C SER A 14 9.888 -0.534 5.022 1.00 0.00 C ATOM 174 O SER A 14 9.910 0.294 4.112 1.00 0.00 O ATOM 175 CB SER A 14 12.122 -1.206 5.925 1.00 0.00 C ATOM 176 OG SER A 14 12.491 0.127 5.615 1.00 0.00 O ATOM 0 H SER A 14 12.212 -1.592 3.439 1.00 0.00 H new ATOM 0 HA SER A 14 10.460 -2.522 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.879 -1.282 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.965 -1.872 5.742 1.00 0.00 H new ATOM 0 HG SER A 14 13.259 0.390 6.164 1.00 0.00 H new ATOM 182 N GLY A 15 8.981 -0.515 5.994 1.00 0.00 N ATOM 183 CA GLY A 15 7.951 0.506 6.028 1.00 0.00 C ATOM 184 C GLY A 15 8.498 1.891 5.742 1.00 0.00 C ATOM 185 O GLY A 15 8.087 2.543 4.783 1.00 0.00 O ATOM 0 H GLY A 15 8.941 -1.189 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.180 0.265 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.473 0.503 7.007 1.00 0.00 H new ATOM 189 N GLY A 16 9.428 2.343 6.578 1.00 0.00 N ATOM 190 CA GLY A 16 10.014 3.657 6.395 1.00 0.00 C ATOM 191 C GLY A 16 10.394 3.927 4.952 1.00 0.00 C ATOM 192 O GLY A 16 10.151 5.016 4.433 1.00 0.00 O ATOM 0 H GLY A 16 9.786 1.822 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.307 4.416 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.900 3.747 7.024 1.00 0.00 H new ATOM 196 N GLN A 17 10.993 2.932 4.304 1.00 0.00 N ATOM 197 CA GLN A 17 11.409 3.069 2.913 1.00 0.00 C ATOM 198 C GLN A 17 10.221 3.414 2.021 1.00 0.00 C ATOM 199 O GLN A 17 10.170 4.493 1.429 1.00 0.00 O ATOM 200 CB GLN A 17 12.067 1.777 2.427 1.00 0.00 C ATOM 201 CG GLN A 17 13.128 1.998 1.360 1.00 0.00 C ATOM 202 CD GLN A 17 14.507 2.228 1.946 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.670 2.310 3.163 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.507 2.334 1.081 1.00 0.00 N ATOM 0 H GLN A 17 11.201 2.024 4.719 1.00 0.00 H new ATOM 0 HA GLN A 17 12.132 3.882 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.520 1.267 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.298 1.114 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.158 1.132 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.850 2.856 0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.326 2.260 0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.457 2.490 1.417 1.00 0.00 H new ATOM 213 N ALA A 18 9.268 2.492 1.929 1.00 0.00 N ATOM 214 CA ALA A 18 8.080 2.701 1.111 1.00 0.00 C ATOM 215 C ALA A 18 7.620 4.154 1.172 1.00 0.00 C ATOM 216 O ALA A 18 7.430 4.797 0.140 1.00 0.00 O ATOM 217 CB ALA A 18 6.962 1.772 1.558 1.00 0.00 C ATOM 0 H ALA A 18 9.296 1.593 2.411 1.00 0.00 H new ATOM 0 HA ALA A 18 8.336 2.472 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.081 1.939 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.287 0.737 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.716 1.974 2.601 1.00 0.00 H new ATOM 223 N GLU A 19 7.440 4.663 2.387 1.00 0.00 N ATOM 224 CA GLU A 19 7.000 6.039 2.580 1.00 0.00 C ATOM 225 C GLU A 19 7.828 7.000 1.731 1.00 0.00 C ATOM 226 O GLU A 19 7.286 7.864 1.042 1.00 0.00 O ATOM 227 CB GLU A 19 7.102 6.428 4.056 1.00 0.00 C ATOM 228 CG GLU A 19 5.831 6.162 4.846 1.00 0.00 C ATOM 229 CD GLU A 19 5.823 6.858 6.193 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.849 6.786 6.901 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.794 7.473 6.537 1.00 0.00 O ATOM 0 H GLU A 19 7.592 4.143 3.251 1.00 0.00 H new ATOM 0 HA GLU A 19 5.959 6.108 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.925 5.877 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.349 7.487 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.971 6.494 4.265 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.719 5.088 4.996 1.00 0.00 H new ATOM 238 N THR A 20 9.147 6.842 1.787 1.00 0.00 N ATOM 239 CA THR A 20 10.052 7.695 1.027 1.00 0.00 C ATOM 240 C THR A 20 9.786 7.581 -0.471 1.00 0.00 C ATOM 241 O THR A 20 9.466 8.570 -1.132 1.00 0.00 O ATOM 242 CB THR A 20 11.524 7.341 1.304 1.00 0.00 C ATOM 243 OG1 THR A 20 11.796 7.437 2.707 1.00 0.00 O ATOM 244 CG2 THR A 20 12.458 8.266 0.537 1.00 0.00 C ATOM 0 H THR A 20 9.612 6.131 2.351 1.00 0.00 H new ATOM 0 HA THR A 20 9.867 8.719 1.350 1.00 0.00 H new ATOM 0 HB THR A 20 11.697 6.318 0.970 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.734 7.209 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.492 7.996 0.749 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.269 8.169 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.282 9.297 0.844 1.00 0.00 H new ATOM 252 N LEU A 21 9.920 6.369 -0.999 1.00 0.00 N ATOM 253 CA LEU A 21 9.693 6.125 -2.419 1.00 0.00 C ATOM 254 C LEU A 21 8.356 6.706 -2.865 1.00 0.00 C ATOM 255 O LEU A 21 8.273 7.392 -3.885 1.00 0.00 O ATOM 256 CB LEU A 21 9.734 4.624 -2.712 1.00 0.00 C ATOM 257 CG LEU A 21 11.020 3.898 -2.314 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.935 3.414 -0.875 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.286 2.732 -3.255 1.00 0.00 C ATOM 0 H LEU A 21 10.184 5.541 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 21 10.487 6.620 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.899 4.150 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.574 4.478 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 21 11.851 4.600 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.859 2.900 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.791 4.267 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.095 2.728 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.205 2.227 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.454 2.030 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.390 3.104 -4.274 1.00 0.00 H new ATOM 271 N LEU A 22 7.310 6.429 -2.094 1.00 0.00 N ATOM 272 CA LEU A 22 5.974 6.926 -2.408 1.00 0.00 C ATOM 273 C LEU A 22 5.945 8.450 -2.401 1.00 0.00 C ATOM 274 O LEU A 22 5.738 9.081 -3.438 1.00 0.00 O ATOM 275 CB LEU A 22 4.957 6.380 -1.405 1.00 0.00 C ATOM 276 CG LEU A 22 4.473 4.950 -1.649 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.721 4.426 -0.437 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.594 4.890 -2.891 1.00 0.00 C ATOM 0 H LEU A 22 7.361 5.863 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 22 5.710 6.581 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.397 6.428 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.090 7.040 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 22 5.344 4.315 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.385 3.407 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.380 4.432 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.858 5.062 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.258 3.865 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.728 5.539 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.165 5.223 -3.757 1.00 0.00 H new ATOM 290 N GLN A 23 6.157 9.036 -1.227 1.00 0.00 N ATOM 291 CA GLN A 23 6.155 10.487 -1.087 1.00 0.00 C ATOM 292 C GLN A 23 6.984 11.141 -2.187 1.00 0.00 C ATOM 293 O GLN A 23 6.500 12.017 -2.903 1.00 0.00 O ATOM 294 CB GLN A 23 6.701 10.888 0.285 1.00 0.00 C ATOM 295 CG GLN A 23 5.707 10.688 1.418 1.00 0.00 C ATOM 296 CD GLN A 23 6.303 10.994 2.778 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.523 11.012 2.944 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.443 11.235 3.761 1.00 0.00 N ATOM 0 H GLN A 23 6.332 8.528 -0.360 1.00 0.00 H new ATOM 0 HA GLN A 23 5.126 10.834 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.599 10.306 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.000 11.936 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.840 11.328 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.350 9.658 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.440 11.210 3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.786 11.445 4.698 1.00 0.00 H new ATOM 307 N ALA A 24 8.234 10.709 -2.316 1.00 0.00 N ATOM 308 CA ALA A 24 9.129 11.252 -3.331 1.00 0.00 C ATOM 309 C ALA A 24 8.419 11.383 -4.675 1.00 0.00 C ATOM 310 O ALA A 24 8.596 12.372 -5.387 1.00 0.00 O ATOM 311 CB ALA A 24 10.365 10.375 -3.468 1.00 0.00 C ATOM 0 H ALA A 24 8.650 9.985 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 24 9.437 12.248 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.024 10.792 -4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.891 10.336 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.066 9.368 -3.759 1.00 0.00 H new ATOM 317 N LYS A 25 7.618 10.381 -5.016 1.00 0.00 N ATOM 318 CA LYS A 25 6.881 10.384 -6.274 1.00 0.00 C ATOM 319 C LYS A 25 5.910 11.560 -6.333 1.00 0.00 C ATOM 320 O LYS A 25 5.728 12.174 -7.383 1.00 0.00 O ATOM 321 CB LYS A 25 6.116 9.069 -6.443 1.00 0.00 C ATOM 322 CG LYS A 25 5.440 8.930 -7.797 1.00 0.00 C ATOM 323 CD LYS A 25 6.411 8.435 -8.856 1.00 0.00 C ATOM 324 CE LYS A 25 5.872 8.673 -10.260 1.00 0.00 C ATOM 325 NZ LYS A 25 6.641 7.913 -11.284 1.00 0.00 N ATOM 0 H LYS A 25 7.462 9.555 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 25 7.599 10.487 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.805 8.236 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.362 8.994 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.603 8.237 -7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.029 9.893 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.368 8.944 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.597 7.371 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.823 8.379 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.914 9.738 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.244 8.101 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.637 8.211 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.580 6.895 -11.079 1.00 0.00 H new ATOM 339 N GLY A 26 5.292 11.869 -5.197 1.00 0.00 N ATOM 340 CA GLY A 26 4.350 12.971 -5.143 1.00 0.00 C ATOM 341 C GLY A 26 3.103 12.710 -5.965 1.00 0.00 C ATOM 342 O GLY A 26 2.362 13.637 -6.291 1.00 0.00 O ATOM 0 H GLY A 26 5.427 11.376 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.066 13.152 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.836 13.878 -5.503 1.00 0.00 H new ATOM 346 N GLU A 27 2.874 11.446 -6.302 1.00 0.00 N ATOM 347 CA GLU A 27 1.708 11.067 -7.095 1.00 0.00 C ATOM 348 C GLU A 27 0.607 10.499 -6.206 1.00 0.00 C ATOM 349 O GLU A 27 0.798 9.518 -5.485 1.00 0.00 O ATOM 350 CB GLU A 27 2.100 10.039 -8.159 1.00 0.00 C ATOM 351 CG GLU A 27 2.611 10.663 -9.448 1.00 0.00 C ATOM 352 CD GLU A 27 2.386 9.773 -10.655 1.00 0.00 C ATOM 353 OE1 GLU A 27 1.559 8.842 -10.560 1.00 0.00 O ATOM 354 OE2 GLU A 27 3.037 10.009 -11.694 1.00 0.00 O ATOM 0 H GLU A 27 3.478 10.667 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 27 1.328 11.963 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.870 9.383 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.236 9.414 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.112 11.619 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.676 10.872 -9.349 1.00 0.00 H new ATOM 361 N PRO A 28 -0.576 11.129 -6.254 1.00 0.00 N ATOM 362 CA PRO A 28 -1.733 10.705 -5.460 1.00 0.00 C ATOM 363 C PRO A 28 -2.309 9.377 -5.939 1.00 0.00 C ATOM 364 O PRO A 28 -2.362 9.110 -7.140 1.00 0.00 O ATOM 365 CB PRO A 28 -2.743 11.834 -5.672 1.00 0.00 C ATOM 366 CG PRO A 28 -2.370 12.434 -6.984 1.00 0.00 C ATOM 367 CD PRO A 28 -0.876 12.304 -7.090 1.00 0.00 C ATOM 0 HA PRO A 28 -1.471 10.541 -4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.764 11.454 -5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.688 12.570 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.866 11.916 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.675 13.479 -7.036 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.558 12.155 -8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.368 13.197 -6.726 1.00 0.00 H new ATOM 375 N TRP A 29 -2.741 8.550 -4.994 1.00 0.00 N ATOM 376 CA TRP A 29 -3.315 7.249 -5.320 1.00 0.00 C ATOM 377 C TRP A 29 -2.250 6.308 -5.874 1.00 0.00 C ATOM 378 O TRP A 29 -2.528 5.483 -6.746 1.00 0.00 O ATOM 379 CB TRP A 29 -4.448 7.409 -6.335 1.00 0.00 C ATOM 380 CG TRP A 29 -5.324 8.594 -6.064 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.722 9.542 -6.964 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.909 8.959 -4.810 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.519 10.473 -6.343 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.650 10.139 -5.022 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.881 8.403 -3.528 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.353 10.769 -3.999 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.579 9.031 -2.514 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.308 10.203 -2.755 1.00 0.00 C ATOM 0 H TRP A 29 -2.705 8.757 -3.996 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.715 6.816 -4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.021 7.502 -7.334 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.059 6.506 -6.332 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.450 9.557 -8.009 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.945 11.283 -6.794 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.324 7.499 -3.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.914 11.673 -4.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.562 8.611 -1.519 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.845 10.669 -1.942 1.00 0.00 H new ATOM 399 N THR A 30 -1.030 6.435 -5.363 1.00 0.00 N ATOM 400 CA THR A 30 0.077 5.596 -5.806 1.00 0.00 C ATOM 401 C THR A 30 0.281 4.415 -4.866 1.00 0.00 C ATOM 402 O THR A 30 0.926 4.541 -3.824 1.00 0.00 O ATOM 403 CB THR A 30 1.388 6.399 -5.897 1.00 0.00 C ATOM 404 OG1 THR A 30 1.232 7.492 -6.808 1.00 0.00 O ATOM 405 CG2 THR A 30 2.535 5.511 -6.356 1.00 0.00 C ATOM 0 H THR A 30 -0.783 7.112 -4.641 1.00 0.00 H new ATOM 0 HA THR A 30 -0.183 5.226 -6.798 1.00 0.00 H new ATOM 0 HB THR A 30 1.621 6.785 -4.904 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.584 8.131 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.451 6.100 -6.413 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.671 4.696 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.306 5.100 -7.339 1.00 0.00 H new ATOM 413 N PHE A 31 -0.270 3.265 -5.240 1.00 0.00 N ATOM 414 CA PHE A 31 -0.146 2.059 -4.429 1.00 0.00 C ATOM 415 C PHE A 31 1.122 1.290 -4.785 1.00 0.00 C ATOM 416 O PHE A 31 1.765 1.567 -5.799 1.00 0.00 O ATOM 417 CB PHE A 31 -1.371 1.161 -4.623 1.00 0.00 C ATOM 418 CG PHE A 31 -1.413 0.486 -5.963 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.905 1.150 -7.074 1.00 0.00 C ATOM 420 CD2 PHE A 31 -0.960 -0.815 -6.112 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.945 0.531 -8.310 1.00 0.00 C ATOM 422 CE2 PHE A 31 -0.996 -1.440 -7.344 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.491 -0.766 -8.444 1.00 0.00 C ATOM 0 H PHE A 31 -0.806 3.143 -6.099 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.085 2.360 -3.383 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.382 0.401 -3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.274 1.759 -4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.262 2.164 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.574 -1.347 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.330 1.061 -9.168 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.638 -2.454 -7.447 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.523 -1.253 -9.407 1.00 0.00 H new ATOM 433 N LEU A 32 1.478 0.324 -3.946 1.00 0.00 N ATOM 434 CA LEU A 32 2.671 -0.485 -4.170 1.00 0.00 C ATOM 435 C LEU A 32 2.700 -1.684 -3.228 1.00 0.00 C ATOM 436 O LEU A 32 2.474 -1.548 -2.025 1.00 0.00 O ATOM 437 CB LEU A 32 3.929 0.362 -3.977 1.00 0.00 C ATOM 438 CG LEU A 32 4.484 0.425 -2.553 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.345 -0.794 -2.262 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.280 1.705 -2.347 1.00 0.00 C ATOM 0 H LEU A 32 0.957 0.081 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 32 2.644 -0.853 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.708 -0.027 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.713 1.378 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 32 3.646 0.427 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.731 -0.732 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.744 -1.697 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.178 -0.828 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.667 1.733 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.111 1.734 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.633 2.566 -2.513 1.00 0.00 H new ATOM 452 N VAL A 33 2.983 -2.859 -3.782 1.00 0.00 N ATOM 453 CA VAL A 33 3.047 -4.082 -2.990 1.00 0.00 C ATOM 454 C VAL A 33 4.470 -4.356 -2.516 1.00 0.00 C ATOM 455 O VAL A 33 5.439 -3.976 -3.173 1.00 0.00 O ATOM 456 CB VAL A 33 2.542 -5.296 -3.792 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.561 -6.550 -2.931 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.146 -5.033 -4.335 1.00 0.00 C ATOM 0 H VAL A 33 3.172 -2.990 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 33 2.401 -3.933 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 33 3.211 -5.455 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.201 -7.397 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.580 -6.746 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.916 -6.406 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.805 -5.901 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.462 -4.847 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.168 -4.161 -4.989 1.00 0.00 H new ATOM 468 N ARG A 34 4.588 -5.018 -1.369 1.00 0.00 N ATOM 469 CA ARG A 34 5.892 -5.342 -0.805 1.00 0.00 C ATOM 470 C ARG A 34 5.757 -6.349 0.333 1.00 0.00 C ATOM 471 O ARG A 34 4.964 -6.155 1.255 1.00 0.00 O ATOM 472 CB ARG A 34 6.583 -4.074 -0.300 1.00 0.00 C ATOM 473 CG ARG A 34 5.873 -3.420 0.873 1.00 0.00 C ATOM 474 CD ARG A 34 6.497 -2.079 1.226 1.00 0.00 C ATOM 475 NE ARG A 34 5.718 -1.359 2.230 1.00 0.00 N ATOM 476 CZ ARG A 34 5.684 -1.695 3.514 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.383 -2.733 3.950 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.950 -0.990 4.366 1.00 0.00 N ATOM 0 H ARG A 34 3.796 -5.340 -0.813 1.00 0.00 H new ATOM 0 HA ARG A 34 6.499 -5.789 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.603 -4.319 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.651 -3.357 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.820 -3.279 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.914 -4.081 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.509 -2.237 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.580 -1.470 0.326 1.00 0.00 H new ATOM 0 HE ARG A 34 5.170 -0.554 1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.949 -3.276 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.355 -2.989 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.412 -0.190 4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.924 -1.249 5.352 1.00 0.00 H new ATOM 492 N GLU A 35 6.536 -7.424 0.263 1.00 0.00 N ATOM 493 CA GLU A 35 6.501 -8.461 1.286 1.00 0.00 C ATOM 494 C GLU A 35 6.464 -7.846 2.683 1.00 0.00 C ATOM 495 O GLU A 35 6.913 -6.719 2.888 1.00 0.00 O ATOM 496 CB GLU A 35 7.718 -9.379 1.156 1.00 0.00 C ATOM 497 CG GLU A 35 7.445 -10.814 1.575 1.00 0.00 C ATOM 498 CD GLU A 35 7.740 -11.058 3.043 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.934 -11.105 3.409 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.777 -11.202 3.825 1.00 0.00 O ATOM 0 H GLU A 35 7.199 -7.599 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 35 5.594 -9.048 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.060 -9.370 0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.530 -8.980 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.402 -11.056 1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.051 -11.487 0.969 1.00 0.00 H new ATOM 507 N SER A 36 5.923 -8.595 3.638 1.00 0.00 N ATOM 508 CA SER A 36 5.822 -8.122 5.015 1.00 0.00 C ATOM 509 C SER A 36 7.024 -8.579 5.836 1.00 0.00 C ATOM 510 O SER A 36 7.594 -9.642 5.585 1.00 0.00 O ATOM 511 CB SER A 36 4.530 -8.629 5.657 1.00 0.00 C ATOM 512 OG SER A 36 4.204 -7.875 6.811 1.00 0.00 O ATOM 0 H SER A 36 5.548 -9.531 3.485 1.00 0.00 H new ATOM 0 HA SER A 36 5.808 -7.032 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.714 -8.568 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.641 -9.680 5.925 1.00 0.00 H new ATOM 0 HG SER A 36 3.373 -8.218 7.202 1.00 0.00 H new ATOM 518 N LEU A 37 7.404 -7.769 6.817 1.00 0.00 N ATOM 519 CA LEU A 37 8.538 -8.090 7.677 1.00 0.00 C ATOM 520 C LEU A 37 8.066 -8.585 9.041 1.00 0.00 C ATOM 521 O LEU A 37 8.402 -9.692 9.461 1.00 0.00 O ATOM 522 CB LEU A 37 9.435 -6.862 7.851 1.00 0.00 C ATOM 523 CG LEU A 37 10.105 -6.335 6.581 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.927 -5.094 6.887 1.00 0.00 C ATOM 525 CD2 LEU A 37 10.976 -7.412 5.952 1.00 0.00 C ATOM 0 H LEU A 37 6.944 -6.886 7.037 1.00 0.00 H new ATOM 0 HA LEU A 37 9.109 -8.886 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.838 -6.059 8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.213 -7.105 8.574 1.00 0.00 H new ATOM 0 HG LEU A 37 9.326 -6.063 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.396 -4.733 5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.277 -4.318 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.698 -5.339 7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.445 -7.020 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.748 -7.715 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.360 -8.274 5.696 1.00 0.00 H new ATOM 537 N SER A 38 7.284 -7.758 9.726 1.00 0.00 N ATOM 538 CA SER A 38 6.767 -8.111 11.043 1.00 0.00 C ATOM 539 C SER A 38 6.265 -9.552 11.061 1.00 0.00 C ATOM 540 O SER A 38 6.776 -10.389 11.804 1.00 0.00 O ATOM 541 CB SER A 38 5.636 -7.160 11.442 1.00 0.00 C ATOM 542 OG SER A 38 6.149 -5.917 11.890 1.00 0.00 O ATOM 0 H SER A 38 6.994 -6.839 9.391 1.00 0.00 H new ATOM 0 HA SER A 38 7.581 -8.019 11.762 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.975 -6.999 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.035 -7.614 12.230 1.00 0.00 H new ATOM 0 HG SER A 38 5.407 -5.327 12.137 1.00 0.00 H new ATOM 548 N GLN A 39 5.260 -9.832 10.237 1.00 0.00 N ATOM 549 CA GLN A 39 4.689 -11.171 10.158 1.00 0.00 C ATOM 550 C GLN A 39 5.149 -11.886 8.893 1.00 0.00 C ATOM 551 O GLN A 39 5.076 -11.351 7.786 1.00 0.00 O ATOM 552 CB GLN A 39 3.161 -11.099 10.191 1.00 0.00 C ATOM 553 CG GLN A 39 2.484 -12.447 9.996 1.00 0.00 C ATOM 554 CD GLN A 39 0.972 -12.347 10.013 1.00 0.00 C ATOM 555 OE1 GLN A 39 0.405 -11.284 9.762 1.00 0.00 O ATOM 556 NE2 GLN A 39 0.308 -13.460 10.309 1.00 0.00 N ATOM 0 H GLN A 39 4.825 -9.150 9.616 1.00 0.00 H new ATOM 0 HA GLN A 39 5.038 -11.739 11.021 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.846 -10.678 11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.821 -10.415 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.805 -12.877 9.047 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.808 -13.129 10.782 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.818 -14.320 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.712 -13.454 10.334 1.00 0.00 H new ATOM 565 N PRO A 40 5.635 -13.126 9.055 1.00 0.00 N ATOM 566 CA PRO A 40 6.116 -13.940 7.936 1.00 0.00 C ATOM 567 C PRO A 40 4.984 -14.399 7.024 1.00 0.00 C ATOM 568 O PRO A 40 3.909 -14.770 7.491 1.00 0.00 O ATOM 569 CB PRO A 40 6.766 -15.143 8.626 1.00 0.00 C ATOM 570 CG PRO A 40 6.081 -15.238 9.945 1.00 0.00 C ATOM 571 CD PRO A 40 5.752 -13.827 10.345 1.00 0.00 C ATOM 0 HA PRO A 40 6.794 -13.383 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.631 -16.054 8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.840 -14.998 8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.178 -15.843 9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.725 -15.713 10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.824 -13.777 10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.534 -13.393 10.969 1.00 0.00 H new ATOM 579 N GLY A 41 5.234 -14.371 5.718 1.00 0.00 N ATOM 580 CA GLY A 41 4.226 -14.787 4.761 1.00 0.00 C ATOM 581 C GLY A 41 3.227 -13.688 4.456 1.00 0.00 C ATOM 582 O GLY A 41 2.796 -13.530 3.314 1.00 0.00 O ATOM 0 H GLY A 41 6.117 -14.068 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.713 -15.098 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.697 -15.657 5.150 1.00 0.00 H new ATOM 586 N ASP A 42 2.857 -12.927 5.481 1.00 0.00 N ATOM 587 CA ASP A 42 1.902 -11.837 5.317 1.00 0.00 C ATOM 588 C ASP A 42 2.455 -10.764 4.385 1.00 0.00 C ATOM 589 O ASP A 42 3.669 -10.627 4.231 1.00 0.00 O ATOM 590 CB ASP A 42 1.559 -11.223 6.676 1.00 0.00 C ATOM 591 CG ASP A 42 0.250 -10.459 6.653 1.00 0.00 C ATOM 592 OD1 ASP A 42 0.132 -9.511 5.849 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.655 -10.808 7.438 1.00 0.00 O ATOM 0 H ASP A 42 3.204 -13.045 6.433 1.00 0.00 H new ATOM 0 HA ASP A 42 0.995 -12.246 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.502 -12.013 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.362 -10.552 6.981 1.00 0.00 H new ATOM 598 N PHE A 43 1.558 -10.005 3.766 1.00 0.00 N ATOM 599 CA PHE A 43 1.956 -8.945 2.847 1.00 0.00 C ATOM 600 C PHE A 43 1.487 -7.583 3.351 1.00 0.00 C ATOM 601 O PHE A 43 0.831 -7.485 4.389 1.00 0.00 O ATOM 602 CB PHE A 43 1.385 -9.208 1.452 1.00 0.00 C ATOM 603 CG PHE A 43 1.755 -10.554 0.898 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.256 -11.715 1.469 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.602 -10.661 -0.194 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.594 -12.955 0.960 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.943 -11.897 -0.706 1.00 0.00 C ATOM 608 CZ PHE A 43 2.439 -13.047 -0.128 1.00 0.00 C ATOM 0 H PHE A 43 0.550 -10.104 3.884 1.00 0.00 H new ATOM 0 HA PHE A 43 3.045 -8.938 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.299 -9.126 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.739 -8.434 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.596 -11.650 2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.000 -9.767 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.197 -13.851 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.603 -11.965 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.705 -14.015 -0.526 1.00 0.00 H new ATOM 618 N VAL A 44 1.830 -6.534 2.610 1.00 0.00 N ATOM 619 CA VAL A 44 1.445 -5.178 2.981 1.00 0.00 C ATOM 620 C VAL A 44 1.176 -4.326 1.745 1.00 0.00 C ATOM 621 O VAL A 44 1.901 -4.406 0.752 1.00 0.00 O ATOM 622 CB VAL A 44 2.532 -4.499 3.833 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.143 -3.063 4.151 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.780 -5.288 5.109 1.00 0.00 C ATOM 0 H VAL A 44 2.374 -6.598 1.749 1.00 0.00 H new ATOM 0 HA VAL A 44 0.531 -5.258 3.570 1.00 0.00 H new ATOM 0 HB VAL A 44 3.459 -4.480 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.924 -2.600 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.022 -2.505 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.204 -3.054 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.552 -4.793 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.858 -5.341 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.108 -6.296 4.855 1.00 0.00 H new ATOM 634 N LEU A 45 0.130 -3.509 1.812 1.00 0.00 N ATOM 635 CA LEU A 45 -0.234 -2.641 0.698 1.00 0.00 C ATOM 636 C LEU A 45 -0.104 -1.172 1.088 1.00 0.00 C ATOM 637 O LEU A 45 -0.884 -0.661 1.891 1.00 0.00 O ATOM 638 CB LEU A 45 -1.666 -2.934 0.245 1.00 0.00 C ATOM 639 CG LEU A 45 -2.249 -1.979 -0.797 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.647 -2.251 -2.166 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.765 -2.101 -0.844 1.00 0.00 C ATOM 0 H LEU A 45 -0.480 -3.430 2.625 1.00 0.00 H new ATOM 0 HA LEU A 45 0.451 -2.842 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.698 -3.945 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.313 -2.922 1.122 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.996 -0.959 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.074 -1.562 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.567 -2.110 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.868 -3.276 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.162 -1.414 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.040 -3.122 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.180 -1.854 0.133 1.00 0.00 H new ATOM 653 N SER A 46 0.888 -0.498 0.513 1.00 0.00 N ATOM 654 CA SER A 46 1.122 0.912 0.802 1.00 0.00 C ATOM 655 C SER A 46 0.544 1.795 -0.299 1.00 0.00 C ATOM 656 O SER A 46 0.616 1.460 -1.482 1.00 0.00 O ATOM 657 CB SER A 46 2.620 1.181 0.953 1.00 0.00 C ATOM 658 OG SER A 46 3.182 0.379 1.976 1.00 0.00 O ATOM 0 H SER A 46 1.542 -0.906 -0.155 1.00 0.00 H new ATOM 0 HA SER A 46 0.620 1.154 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.126 0.979 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.782 2.234 1.182 1.00 0.00 H new ATOM 0 HG SER A 46 3.197 -0.557 1.687 1.00 0.00 H new ATOM 664 N VAL A 47 -0.031 2.926 0.098 1.00 0.00 N ATOM 665 CA VAL A 47 -0.621 3.859 -0.855 1.00 0.00 C ATOM 666 C VAL A 47 -0.373 5.304 -0.434 1.00 0.00 C ATOM 667 O VAL A 47 -0.301 5.612 0.756 1.00 0.00 O ATOM 668 CB VAL A 47 -2.138 3.631 -0.997 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.750 4.673 -1.921 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.420 2.226 -1.504 1.00 0.00 C ATOM 0 H VAL A 47 -0.101 3.218 1.073 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.141 3.676 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.597 3.737 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.822 4.496 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.579 5.668 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.288 4.602 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.496 2.082 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.949 2.089 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.017 1.498 -0.800 1.00 0.00 H new ATOM 680 N LEU A 48 -0.242 6.186 -1.419 1.00 0.00 N ATOM 681 CA LEU A 48 -0.002 7.601 -1.152 1.00 0.00 C ATOM 682 C LEU A 48 -1.273 8.418 -1.361 1.00 0.00 C ATOM 683 O LEU A 48 -1.607 8.788 -2.487 1.00 0.00 O ATOM 684 CB LEU A 48 1.112 8.128 -2.058 1.00 0.00 C ATOM 685 CG LEU A 48 1.706 9.483 -1.670 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.427 9.387 -0.335 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.652 9.979 -2.754 1.00 0.00 C ATOM 0 H LEU A 48 -0.298 5.947 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 48 0.305 7.703 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.916 7.393 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.723 8.201 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 48 0.892 10.200 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.843 10.360 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.723 9.076 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.232 8.656 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.066 10.944 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.462 9.262 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.107 10.087 -3.692 1.00 0.00 H new ATOM 699 N SER A 49 -1.977 8.697 -0.269 1.00 0.00 N ATOM 700 CA SER A 49 -3.213 9.468 -0.332 1.00 0.00 C ATOM 701 C SER A 49 -2.961 10.848 -0.933 1.00 0.00 C ATOM 702 O SER A 49 -1.869 11.402 -0.806 1.00 0.00 O ATOM 703 CB SER A 49 -3.822 9.612 1.065 1.00 0.00 C ATOM 704 OG SER A 49 -2.865 10.097 1.991 1.00 0.00 O ATOM 0 H SER A 49 -1.713 8.401 0.670 1.00 0.00 H new ATOM 0 HA SER A 49 -3.914 8.933 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.672 10.293 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.201 8.647 1.401 1.00 0.00 H new ATOM 0 HG SER A 49 -1.964 9.879 1.674 1.00 0.00 H new ATOM 710 N ASP A 50 -3.978 11.395 -1.589 1.00 0.00 N ATOM 711 CA ASP A 50 -3.869 12.710 -2.210 1.00 0.00 C ATOM 712 C ASP A 50 -3.913 13.814 -1.158 1.00 0.00 C ATOM 713 O ASP A 50 -3.847 14.998 -1.485 1.00 0.00 O ATOM 714 CB ASP A 50 -4.994 12.913 -3.226 1.00 0.00 C ATOM 715 CG ASP A 50 -5.240 14.376 -3.535 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.267 15.082 -3.874 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.404 14.817 -3.436 1.00 0.00 O ATOM 0 H ASP A 50 -4.888 10.948 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.910 12.762 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.746 12.387 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.911 12.467 -2.842 1.00 0.00 H new ATOM 722 N GLN A 51 -4.023 13.415 0.105 1.00 0.00 N ATOM 723 CA GLN A 51 -4.078 14.371 1.205 1.00 0.00 C ATOM 724 C GLN A 51 -2.678 14.685 1.722 1.00 0.00 C ATOM 725 O GLN A 51 -1.986 13.828 2.272 1.00 0.00 O ATOM 726 CB GLN A 51 -4.943 13.825 2.341 1.00 0.00 C ATOM 727 CG GLN A 51 -6.401 13.628 1.954 1.00 0.00 C ATOM 728 CD GLN A 51 -7.058 12.494 2.717 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.491 12.666 3.858 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.137 11.326 2.091 1.00 0.00 N ATOM 0 H GLN A 51 -4.076 12.438 0.392 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.523 15.293 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.532 12.872 2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.890 14.509 3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.950 14.551 2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.465 13.427 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.765 11.228 1.146 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.569 10.527 2.555 1.00 0.00 H new ATOM 739 N PRO A 52 -2.249 15.943 1.543 1.00 0.00 N ATOM 740 CA PRO A 52 -0.927 16.399 1.986 1.00 0.00 C ATOM 741 C PRO A 52 -0.818 16.474 3.505 1.00 0.00 C ATOM 742 O PRO A 52 -1.793 16.779 4.194 1.00 0.00 O ATOM 743 CB PRO A 52 -0.811 17.797 1.372 1.00 0.00 C ATOM 744 CG PRO A 52 -2.218 18.253 1.199 1.00 0.00 C ATOM 745 CD PRO A 52 -3.020 17.018 0.896 1.00 0.00 C ATOM 0 HA PRO A 52 -0.136 15.715 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.254 18.470 2.023 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.284 17.768 0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.583 18.743 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.296 18.978 0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.030 17.086 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.115 16.854 -0.177 1.00 0.00 H new ATOM 753 N LYS A 53 0.373 16.194 4.022 1.00 0.00 N ATOM 754 CA LYS A 53 0.611 16.231 5.461 1.00 0.00 C ATOM 755 C LYS A 53 0.124 17.548 6.059 1.00 0.00 C ATOM 756 O LYS A 53 -0.709 17.558 6.964 1.00 0.00 O ATOM 757 CB LYS A 53 2.101 16.043 5.756 1.00 0.00 C ATOM 758 CG LYS A 53 2.542 14.590 5.759 1.00 0.00 C ATOM 759 CD LYS A 53 3.987 14.447 6.205 1.00 0.00 C ATOM 760 CE LYS A 53 4.089 14.266 7.712 1.00 0.00 C ATOM 761 NZ LYS A 53 5.432 14.652 8.228 1.00 0.00 N ATOM 0 H LYS A 53 1.189 15.939 3.466 1.00 0.00 H new ATOM 0 HA LYS A 53 0.051 15.416 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.682 16.589 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.329 16.485 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.897 14.014 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.426 14.171 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.441 13.593 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.551 15.330 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.325 14.869 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.887 13.226 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.461 14.514 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.160 14.060 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.615 15.652 8.007 1.00 0.00 H new ATOM 775 N ALA A 54 0.651 18.655 5.547 1.00 0.00 N ATOM 776 CA ALA A 54 0.267 19.977 6.028 1.00 0.00 C ATOM 777 C ALA A 54 -0.566 20.719 4.988 1.00 0.00 C ATOM 778 O ALA A 54 -1.719 21.069 5.237 1.00 0.00 O ATOM 779 CB ALA A 54 1.504 20.784 6.392 1.00 0.00 C ATOM 0 H ALA A 54 1.345 18.663 4.799 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.346 19.849 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.204 21.769 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.058 20.267 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.138 20.895 5.512 1.00 0.00 H new ATOM 785 N GLY A 55 0.027 20.957 3.822 1.00 0.00 N ATOM 786 CA GLY A 55 -0.675 21.658 2.763 1.00 0.00 C ATOM 787 C GLY A 55 -0.004 21.492 1.414 1.00 0.00 C ATOM 788 O GLY A 55 0.606 20.463 1.123 1.00 0.00 O ATOM 0 H GLY A 55 0.980 20.677 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.699 21.289 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.732 22.718 3.009 1.00 0.00 H new ATOM 792 N PRO A 56 -0.116 22.522 0.562 1.00 0.00 N ATOM 793 CA PRO A 56 0.479 22.509 -0.778 1.00 0.00 C ATOM 794 C PRO A 56 2.002 22.578 -0.738 1.00 0.00 C ATOM 795 O PRO A 56 2.585 23.655 -0.849 1.00 0.00 O ATOM 796 CB PRO A 56 -0.098 23.766 -1.433 1.00 0.00 C ATOM 797 CG PRO A 56 -0.420 24.672 -0.297 1.00 0.00 C ATOM 798 CD PRO A 56 -0.828 23.780 0.842 1.00 0.00 C ATOM 0 HA PRO A 56 0.252 21.589 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.621 24.224 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.988 23.534 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.443 25.280 -0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.224 25.359 -0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.538 24.200 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.908 23.633 0.870 1.00 0.00 H new ATOM 806 N GLY A 57 2.639 21.422 -0.579 1.00 0.00 N ATOM 807 CA GLY A 57 4.088 21.376 -0.528 1.00 0.00 C ATOM 808 C GLY A 57 4.602 20.203 0.284 1.00 0.00 C ATOM 809 O GLY A 57 5.693 19.694 0.029 1.00 0.00 O ATOM 0 H GLY A 57 2.178 20.517 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.482 21.313 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.463 22.304 -0.097 1.00 0.00 H new ATOM 813 N SER A 58 3.814 19.774 1.265 1.00 0.00 N ATOM 814 CA SER A 58 4.198 18.658 2.121 1.00 0.00 C ATOM 815 C SER A 58 4.048 17.330 1.383 1.00 0.00 C ATOM 816 O SER A 58 3.268 17.201 0.440 1.00 0.00 O ATOM 817 CB SER A 58 3.348 18.646 3.392 1.00 0.00 C ATOM 818 OG SER A 58 2.169 17.880 3.210 1.00 0.00 O ATOM 0 H SER A 58 2.906 20.182 1.486 1.00 0.00 H new ATOM 0 HA SER A 58 5.245 18.786 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.929 18.235 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.083 19.667 3.666 1.00 0.00 H new ATOM 0 HG SER A 58 1.804 18.048 2.316 1.00 0.00 H new ATOM 824 N PRO A 59 4.814 16.321 1.821 1.00 0.00 N ATOM 825 CA PRO A 59 4.785 14.986 1.217 1.00 0.00 C ATOM 826 C PRO A 59 3.481 14.249 1.502 1.00 0.00 C ATOM 827 O PRO A 59 3.169 13.937 2.652 1.00 0.00 O ATOM 828 CB PRO A 59 5.961 14.269 1.886 1.00 0.00 C ATOM 829 CG PRO A 59 6.142 14.970 3.188 1.00 0.00 C ATOM 830 CD PRO A 59 5.767 16.405 2.940 1.00 0.00 C ATOM 0 HA PRO A 59 4.856 15.029 0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.747 13.210 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.861 14.331 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.511 14.529 3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.172 14.890 3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.313 16.860 3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.637 17.009 2.682 1.00 0.00 H new ATOM 838 N LEU A 60 2.721 13.972 0.448 1.00 0.00 N ATOM 839 CA LEU A 60 1.449 13.271 0.585 1.00 0.00 C ATOM 840 C LEU A 60 1.525 12.214 1.680 1.00 0.00 C ATOM 841 O LEU A 60 2.574 11.607 1.899 1.00 0.00 O ATOM 842 CB LEU A 60 1.059 12.620 -0.743 1.00 0.00 C ATOM 843 CG LEU A 60 0.545 13.565 -1.830 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.256 12.799 -3.112 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.700 14.299 -1.353 1.00 0.00 C ATOM 0 H LEU A 60 2.963 14.222 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 60 0.688 14.000 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.927 12.089 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.290 11.873 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 60 1.320 14.302 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.109 13.488 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.170 12.320 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.501 12.039 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.052 14.967 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.480 13.576 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.461 14.881 -0.463 1.00 0.00 H new ATOM 857 N ARG A 61 0.407 11.996 2.365 1.00 0.00 N ATOM 858 CA ARG A 61 0.348 11.010 3.437 1.00 0.00 C ATOM 859 C ARG A 61 0.363 9.593 2.874 1.00 0.00 C ATOM 860 O ARG A 61 -0.091 9.352 1.754 1.00 0.00 O ATOM 861 CB ARG A 61 -0.910 11.220 4.282 1.00 0.00 C ATOM 862 CG ARG A 61 -0.744 10.807 5.735 1.00 0.00 C ATOM 863 CD ARG A 61 -0.184 11.944 6.577 1.00 0.00 C ATOM 864 NE ARG A 61 0.337 11.471 7.857 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.420 11.269 8.930 1.00 0.00 C ATOM 866 NH1 ARG A 61 -1.725 11.497 8.876 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.128 10.838 10.059 1.00 0.00 N ATOM 0 H ARG A 61 -0.470 12.489 2.197 1.00 0.00 H new ATOM 0 HA ARG A 61 1.228 11.142 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.193 12.272 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.731 10.653 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.707 10.495 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.079 9.946 5.796 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.611 12.446 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.965 12.683 6.754 1.00 0.00 H new ATOM 0 HE ARG A 61 1.337 11.286 7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.149 11.828 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.304 11.341 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.132 10.661 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.454 10.683 10.882 1.00 0.00 H new ATOM 881 N VAL A 62 0.888 8.656 3.657 1.00 0.00 N ATOM 882 CA VAL A 62 0.962 7.261 3.237 1.00 0.00 C ATOM 883 C VAL A 62 0.095 6.374 4.122 1.00 0.00 C ATOM 884 O VAL A 62 0.118 6.488 5.349 1.00 0.00 O ATOM 885 CB VAL A 62 2.411 6.741 3.270 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.494 5.349 2.664 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.339 7.703 2.543 1.00 0.00 C ATOM 0 H VAL A 62 1.269 8.837 4.586 1.00 0.00 H new ATOM 0 HA VAL A 62 0.592 7.219 2.212 1.00 0.00 H new ATOM 0 HB VAL A 62 2.731 6.678 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.526 4.999 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.861 4.667 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.155 5.382 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.359 7.320 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.021 7.800 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.302 8.679 3.026 1.00 0.00 H new ATOM 897 N THR A 63 -0.670 5.486 3.494 1.00 0.00 N ATOM 898 CA THR A 63 -1.545 4.579 4.224 1.00 0.00 C ATOM 899 C THR A 63 -0.997 3.157 4.212 1.00 0.00 C ATOM 900 O THR A 63 -1.043 2.471 3.190 1.00 0.00 O ATOM 901 CB THR A 63 -2.967 4.573 3.633 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.567 5.865 3.784 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.833 3.523 4.315 1.00 0.00 C ATOM 0 H THR A 63 -0.701 5.376 2.480 1.00 0.00 H new ATOM 0 HA THR A 63 -1.588 4.941 5.251 1.00 0.00 H new ATOM 0 HB THR A 63 -2.894 4.329 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.541 5.784 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.833 3.538 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.390 2.537 4.172 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.897 3.741 5.381 1.00 0.00 H new ATOM 911 N HIS A 64 -0.476 2.718 5.355 1.00 0.00 N ATOM 912 CA HIS A 64 0.080 1.376 5.475 1.00 0.00 C ATOM 913 C HIS A 64 -0.968 0.396 5.993 1.00 0.00 C ATOM 914 O HIS A 64 -1.434 0.513 7.128 1.00 0.00 O ATOM 915 CB HIS A 64 1.291 1.385 6.409 1.00 0.00 C ATOM 916 CG HIS A 64 2.335 2.389 6.027 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.292 2.149 5.064 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.568 3.641 6.483 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.069 3.210 4.944 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.651 4.130 5.794 1.00 0.00 N ATOM 0 H HIS A 64 -0.428 3.273 6.210 1.00 0.00 H new ATOM 0 HA HIS A 64 0.396 1.051 4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.954 1.592 7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.740 0.392 6.418 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.385 1.286 4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.007 4.159 7.246 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.904 3.308 4.266 1.00 0.00 H new ATOM 929 N ILE A 65 -1.338 -0.566 5.155 1.00 0.00 N ATOM 930 CA ILE A 65 -2.331 -1.565 5.529 1.00 0.00 C ATOM 931 C ILE A 65 -1.791 -2.977 5.334 1.00 0.00 C ATOM 932 O ILE A 65 -1.235 -3.302 4.284 1.00 0.00 O ATOM 933 CB ILE A 65 -3.625 -1.404 4.711 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.201 0.000 4.898 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.644 -2.458 5.119 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.021 0.479 3.720 1.00 0.00 C ATOM 0 H ILE A 65 -0.965 -0.675 4.212 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.556 -1.408 6.584 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.390 -1.543 3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.824 0.012 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.383 0.700 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.554 -2.331 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.232 -3.451 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.877 -2.348 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.398 1.482 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.397 0.499 2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.860 -0.199 3.561 1.00 0.00 H new ATOM 948 N LYS A 66 -1.961 -3.816 6.350 1.00 0.00 N ATOM 949 CA LYS A 66 -1.493 -5.196 6.291 1.00 0.00 C ATOM 950 C LYS A 66 -2.457 -6.062 5.485 1.00 0.00 C ATOM 951 O LYS A 66 -3.674 -5.897 5.569 1.00 0.00 O ATOM 952 CB LYS A 66 -1.340 -5.765 7.703 1.00 0.00 C ATOM 953 CG LYS A 66 -0.138 -5.216 8.453 1.00 0.00 C ATOM 954 CD LYS A 66 -0.239 -5.490 9.944 1.00 0.00 C ATOM 955 CE LYS A 66 -1.073 -4.434 10.650 1.00 0.00 C ATOM 956 NZ LYS A 66 -2.533 -4.707 10.528 1.00 0.00 N ATOM 0 H LYS A 66 -2.420 -3.564 7.225 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.522 -5.204 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.243 -5.548 8.273 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.255 -6.850 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.774 -5.666 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.062 -4.142 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.682 -6.473 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.760 -5.516 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.797 -4.398 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.850 -3.454 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.015 -4.413 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.920 -4.174 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.684 -5.724 10.374 1.00 0.00 H new ATOM 970 N VAL A 67 -1.903 -6.985 4.704 1.00 0.00 N ATOM 971 CA VAL A 67 -2.713 -7.879 3.885 1.00 0.00 C ATOM 972 C VAL A 67 -2.596 -9.321 4.365 1.00 0.00 C ATOM 973 O VAL A 67 -1.559 -9.961 4.191 1.00 0.00 O ATOM 974 CB VAL A 67 -2.303 -7.807 2.403 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.195 -8.703 1.557 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.353 -6.370 1.905 1.00 0.00 C ATOM 0 H VAL A 67 -0.897 -7.133 4.622 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.747 -7.550 3.984 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.277 -8.164 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.890 -8.639 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.104 -9.734 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.231 -8.379 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.060 -6.338 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.367 -5.983 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.668 -5.758 2.492 1.00 0.00 H new ATOM 986 N MET A 68 -3.666 -9.827 4.967 1.00 0.00 N ATOM 987 CA MET A 68 -3.684 -11.196 5.471 1.00 0.00 C ATOM 988 C MET A 68 -3.826 -12.194 4.327 1.00 0.00 C ATOM 989 O MET A 68 -4.254 -11.837 3.228 1.00 0.00 O ATOM 990 CB MET A 68 -4.828 -11.380 6.469 1.00 0.00 C ATOM 991 CG MET A 68 -4.508 -10.866 7.863 1.00 0.00 C ATOM 992 SD MET A 68 -5.966 -10.769 8.921 1.00 0.00 S ATOM 993 CE MET A 68 -6.786 -9.332 8.236 1.00 0.00 C ATOM 0 H MET A 68 -4.532 -9.310 5.118 1.00 0.00 H new ATOM 0 HA MET A 68 -2.737 -11.383 5.977 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.712 -10.864 6.095 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.079 -12.439 6.530 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.770 -11.521 8.327 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.054 -9.878 7.786 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.774 -8.524 8.967 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.266 -9.012 7.333 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.818 -9.584 7.990 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.465 -13.445 4.590 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.552 -14.495 3.581 1.00 0.00 C ATOM 1005 C CYS A 69 -4.308 -15.705 4.118 1.00 0.00 C ATOM 1006 O CYS A 69 -3.930 -16.282 5.137 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.152 -14.912 3.128 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.139 -16.227 1.887 1.00 0.00 S ATOM 0 H CYS A 69 -3.109 -13.757 5.494 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.100 -14.099 2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.638 -14.040 2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.584 -15.242 3.998 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.214 -16.149 1.161 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.380 -16.081 3.427 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.190 -17.223 3.838 1.00 0.00 C ATOM 1016 C GLU A 70 -5.992 -18.401 2.889 1.00 0.00 C ATOM 1017 O GLU A 70 -6.679 -18.518 1.875 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.670 -16.834 3.884 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.107 -16.260 5.222 1.00 0.00 C ATOM 1020 CD GLU A 70 -9.601 -16.014 5.289 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -10.359 -16.996 5.432 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -10.013 -14.838 5.200 1.00 0.00 O ATOM 0 H GLU A 70 -5.707 -15.613 2.582 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.868 -17.525 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.869 -16.102 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.275 -17.712 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.819 -16.945 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.580 -15.323 5.401 1.00 0.00 H new ATOM 1029 N GLY A 71 -5.046 -19.272 3.227 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.773 -20.429 2.396 1.00 0.00 C ATOM 1031 C GLY A 71 -4.564 -20.062 0.941 1.00 0.00 C ATOM 1032 O GLY A 71 -5.323 -20.488 0.070 1.00 0.00 O ATOM 0 H GLY A 71 -4.464 -19.197 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.885 -20.939 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.602 -21.132 2.474 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.533 -19.266 0.674 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.248 -18.853 -0.688 1.00 0.00 C ATOM 1038 C GLY A 72 -3.952 -17.564 -1.063 1.00 0.00 C ATOM 1039 O GLY A 72 -3.395 -16.730 -1.776 1.00 0.00 O ATOM 0 H GLY A 72 -2.890 -18.900 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.172 -18.724 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.552 -19.643 -1.375 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.180 -17.401 -0.582 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.963 -16.206 -0.872 1.00 0.00 C ATOM 1045 C ARG A 73 -5.509 -15.035 -0.007 1.00 0.00 C ATOM 1046 O ARG A 73 -4.678 -15.196 0.888 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.451 -16.477 -0.644 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.032 -17.521 -1.584 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.179 -18.278 -0.935 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.105 -18.822 -1.925 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.922 -19.986 -2.540 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -8.854 -20.723 -2.267 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.809 -20.414 -3.428 1.00 0.00 N ATOM 0 H ARG A 73 -5.654 -18.082 0.011 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.805 -15.944 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.598 -16.805 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.004 -15.545 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.384 -17.036 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.251 -18.223 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.780 -19.090 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.718 -17.612 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.937 -18.279 -2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.171 -20.397 -1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.716 -21.616 -2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.632 -19.850 -3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.668 -21.307 -3.900 1.00 0.00 H new ATOM 1067 N TYR A 74 -6.060 -13.857 -0.278 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.709 -12.658 0.474 1.00 0.00 C ATOM 1069 C TYR A 74 -6.959 -11.876 0.865 1.00 0.00 C ATOM 1070 O TYR A 74 -7.976 -11.915 0.171 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.775 -11.769 -0.348 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.452 -12.422 -0.677 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.682 -13.015 0.317 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.970 -12.446 -1.980 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.471 -13.613 0.021 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.762 -13.042 -2.284 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.016 -13.624 -1.280 1.00 0.00 C ATOM 1078 OH TYR A 74 0.189 -14.218 -1.579 1.00 0.00 O ATOM 0 H TYR A 74 -6.751 -13.707 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.196 -12.968 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.275 -11.492 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.589 -10.846 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.036 -13.008 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.550 -11.991 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.885 -14.069 0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.403 -13.052 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 74 0.810 -14.092 -0.832 1.00 0.00 H new ATOM 1088 N THR A 75 -6.877 -11.162 1.985 1.00 0.00 N ATOM 1089 CA THR A 75 -8.000 -10.371 2.471 1.00 0.00 C ATOM 1090 C THR A 75 -7.522 -9.217 3.344 1.00 0.00 C ATOM 1091 O THR A 75 -6.368 -9.184 3.769 1.00 0.00 O ATOM 1092 CB THR A 75 -8.989 -11.235 3.277 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.237 -10.548 3.416 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.426 -11.559 4.653 1.00 0.00 C ATOM 0 H THR A 75 -6.044 -11.116 2.572 1.00 0.00 H new ATOM 0 HA THR A 75 -8.509 -9.972 1.594 1.00 0.00 H new ATOM 0 HB THR A 75 -9.147 -12.169 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.969 -11.199 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.141 -12.170 5.204 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.490 -12.106 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.243 -10.633 5.199 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.418 -8.270 3.607 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.088 -7.114 4.432 1.00 0.00 C ATOM 1104 C VAL A 76 -9.127 -6.905 5.528 1.00 0.00 C ATOM 1105 O VAL A 76 -10.094 -6.165 5.348 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.986 -5.831 3.585 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.764 -5.885 2.680 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.254 -5.630 2.770 1.00 0.00 C ATOM 0 H VAL A 76 -9.377 -8.281 3.261 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.119 -7.318 4.889 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.874 -4.980 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.708 -4.971 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.865 -5.980 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.843 -6.744 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.165 -4.719 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.399 -6.482 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.108 -5.544 3.441 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.920 -7.562 6.665 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.848 -7.435 7.774 1.00 0.00 C ATOM 1120 C GLY A 77 -11.132 -8.206 7.546 1.00 0.00 C ATOM 1121 O GLY A 77 -11.464 -9.113 8.310 1.00 0.00 O ATOM 0 H GLY A 77 -8.127 -8.180 6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.370 -7.792 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.083 -6.382 7.929 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.859 -7.845 6.494 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.108 -8.518 6.188 1.00 0.00 C ATOM 1127 C GLY A 78 -12.928 -10.010 5.989 1.00 0.00 C ATOM 1128 O GLY A 78 -11.804 -10.513 5.985 1.00 0.00 O ATOM 0 H GLY A 78 -11.606 -7.098 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.818 -8.345 6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.540 -8.084 5.286 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.038 -10.722 5.823 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.999 -12.166 5.623 1.00 0.00 C ATOM 1134 C LEU A 79 -13.771 -12.506 4.154 1.00 0.00 C ATOM 1135 O LEU A 79 -13.444 -13.644 3.815 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.301 -12.804 6.111 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.341 -13.204 7.586 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -15.568 -11.984 8.465 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -16.425 -14.246 7.826 1.00 0.00 C ATOM 0 H LEU A 79 -14.976 -10.322 5.823 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.167 -12.566 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.117 -12.106 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.495 -13.692 5.509 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.378 -13.642 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.593 -12.289 9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.757 -11.271 8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.516 -11.516 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.440 -14.519 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.394 -13.834 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -16.218 -15.131 7.225 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.945 -11.513 3.288 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.756 -11.709 1.855 1.00 0.00 C ATOM 1153 C GLU A 80 -12.384 -12.309 1.564 1.00 0.00 C ATOM 1154 O GLU A 80 -11.551 -12.449 2.459 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.912 -10.380 1.113 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.350 -10.048 0.751 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.608 -8.555 0.692 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.653 -7.800 0.413 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.762 -8.142 0.924 1.00 0.00 O ATOM 0 H GLU A 80 -14.216 -10.566 3.553 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.518 -12.405 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.508 -9.579 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.315 -10.411 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.589 -10.492 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.019 -10.500 1.484 1.00 0.00 H new ATOM 1166 N THR A 81 -12.157 -12.666 0.303 1.00 0.00 N ATOM 1167 CA THR A 81 -10.888 -13.253 -0.107 1.00 0.00 C ATOM 1168 C THR A 81 -10.647 -13.055 -1.599 1.00 0.00 C ATOM 1169 O THR A 81 -11.591 -12.938 -2.381 1.00 0.00 O ATOM 1170 CB THR A 81 -10.837 -14.759 0.213 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.892 -15.442 -0.471 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.958 -14.998 1.711 1.00 0.00 C ATOM 0 H THR A 81 -12.836 -12.559 -0.451 1.00 0.00 H new ATOM 0 HA THR A 81 -10.107 -12.742 0.456 1.00 0.00 H new ATOM 0 HB THR A 81 -9.876 -15.147 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.851 -16.399 -0.263 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.920 -16.068 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.136 -14.502 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.906 -14.595 2.068 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.377 -13.016 -1.989 1.00 0.00 N ATOM 1181 CA PHE A 82 -9.012 -12.831 -3.388 1.00 0.00 C ATOM 1182 C PHE A 82 -7.987 -13.873 -3.826 1.00 0.00 C ATOM 1183 O PHE A 82 -7.244 -14.412 -3.006 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.452 -11.424 -3.610 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.382 -10.332 -3.164 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.348 -9.865 -1.860 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.287 -9.771 -4.049 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.203 -8.861 -1.447 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.144 -8.765 -3.642 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.101 -8.310 -2.339 1.00 0.00 C ATOM 0 H PHE A 82 -8.583 -13.110 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.911 -12.956 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.508 -11.328 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.231 -11.292 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.646 -10.290 -1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.324 -10.123 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.169 -8.508 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.846 -8.336 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.769 -7.524 -2.018 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.954 -14.154 -5.125 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.022 -15.131 -5.673 1.00 0.00 C ATOM 1202 C ASP A 83 -5.584 -14.775 -5.307 1.00 0.00 C ATOM 1203 O ASP A 83 -4.810 -15.633 -4.882 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.168 -15.211 -7.193 1.00 0.00 C ATOM 1205 CG ASP A 83 -6.294 -16.289 -7.803 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -6.338 -17.436 -7.313 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.564 -15.984 -8.770 1.00 0.00 O ATOM 0 H ASP A 83 -8.563 -13.718 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.259 -16.103 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.210 -15.407 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.910 -14.247 -7.631 1.00 0.00 H new ATOM 1212 N SER A 84 -5.233 -13.503 -5.474 1.00 0.00 N ATOM 1213 CA SER A 84 -3.887 -13.034 -5.166 1.00 0.00 C ATOM 1214 C SER A 84 -3.843 -11.511 -5.107 1.00 0.00 C ATOM 1215 O SER A 84 -4.871 -10.843 -5.231 1.00 0.00 O ATOM 1216 CB SER A 84 -2.895 -13.544 -6.212 1.00 0.00 C ATOM 1217 OG SER A 84 -3.339 -13.249 -7.524 1.00 0.00 O ATOM 0 H SER A 84 -5.862 -12.779 -5.821 1.00 0.00 H new ATOM 0 HA SER A 84 -3.607 -13.426 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.919 -13.089 -6.044 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.767 -14.621 -6.102 1.00 0.00 H new ATOM 0 HG SER A 84 -2.686 -13.584 -8.173 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.646 -10.967 -4.916 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.466 -9.522 -4.840 1.00 0.00 C ATOM 1225 C LEU A 85 -3.125 -8.828 -6.028 1.00 0.00 C ATOM 1226 O LEU A 85 -3.637 -7.714 -5.906 1.00 0.00 O ATOM 1227 CB LEU A 85 -0.977 -9.175 -4.794 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.360 -9.052 -3.401 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.177 -8.105 -2.537 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.252 -10.420 -2.742 1.00 0.00 C ATOM 0 H LEU A 85 -1.786 -11.505 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.943 -9.169 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.429 -9.939 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.828 -8.232 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 85 0.644 -8.641 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.722 -8.030 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.202 -7.119 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.194 -8.486 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.189 -10.313 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.245 -10.859 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.377 -11.069 -3.351 1.00 0.00 H new ATOM 1242 N THR A 86 -3.110 -9.493 -7.179 1.00 0.00 N ATOM 1243 CA THR A 86 -3.706 -8.941 -8.389 1.00 0.00 C ATOM 1244 C THR A 86 -5.218 -8.803 -8.243 1.00 0.00 C ATOM 1245 O THR A 86 -5.770 -7.715 -8.410 1.00 0.00 O ATOM 1246 CB THR A 86 -3.399 -9.819 -9.617 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.990 -10.059 -9.707 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.888 -9.153 -10.894 1.00 0.00 C ATOM 0 H THR A 86 -2.691 -10.415 -7.298 1.00 0.00 H new ATOM 0 HA THR A 86 -3.266 -7.955 -8.537 1.00 0.00 H new ATOM 0 HB THR A 86 -3.922 -10.768 -9.498 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.803 -10.619 -10.489 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.660 -9.791 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.965 -8.998 -10.834 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.389 -8.192 -11.017 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.881 -9.910 -7.931 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.329 -9.911 -7.760 1.00 0.00 C ATOM 1258 C ASP A 87 -7.741 -9.001 -6.607 1.00 0.00 C ATOM 1259 O ASP A 87 -8.748 -8.295 -6.689 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.833 -11.334 -7.508 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.338 -11.450 -7.663 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.834 -11.279 -8.795 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.018 -11.713 -6.649 1.00 0.00 O ATOM 0 H ASP A 87 -5.439 -10.819 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.779 -9.531 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.345 -12.018 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.549 -11.645 -6.503 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.958 -9.022 -5.534 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.243 -8.200 -4.363 1.00 0.00 C ATOM 1270 C LEU A 88 -7.090 -6.717 -4.690 1.00 0.00 C ATOM 1271 O LEU A 88 -8.034 -5.940 -4.553 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.311 -8.578 -3.211 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.428 -7.728 -1.946 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.101 -8.558 -0.714 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.515 -6.514 -2.032 1.00 0.00 C ATOM 0 H LEU A 88 -6.121 -9.599 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.275 -8.383 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.499 -9.618 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.283 -8.522 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.457 -7.378 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.189 -7.937 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.796 -9.394 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.083 -8.939 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.612 -5.921 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.482 -6.843 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.797 -5.907 -2.893 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.894 -6.332 -5.124 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.618 -4.944 -5.474 1.00 0.00 C ATOM 1289 C VAL A 89 -6.573 -4.449 -6.553 1.00 0.00 C ATOM 1290 O VAL A 89 -7.291 -3.469 -6.357 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.168 -4.766 -5.964 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.906 -3.315 -6.339 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.185 -5.238 -4.904 1.00 0.00 C ATOM 0 H VAL A 89 -5.101 -6.962 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.762 -4.355 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.026 -5.378 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.877 -3.208 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.588 -3.016 -7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.065 -2.680 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.166 -5.105 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.324 -4.655 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.359 -6.293 -4.690 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.576 -5.133 -7.692 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.443 -4.762 -8.804 1.00 0.00 C ATOM 1305 C GLU A 90 -8.855 -4.449 -8.312 1.00 0.00 C ATOM 1306 O GLU A 90 -9.392 -3.373 -8.575 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.491 -5.885 -9.841 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.221 -6.003 -10.669 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.262 -5.155 -11.925 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.378 -4.834 -12.386 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.181 -4.814 -12.447 1.00 0.00 O ATOM 0 H GLU A 90 -5.988 -5.947 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.031 -3.866 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.672 -6.831 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.336 -5.716 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.367 -5.704 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.067 -7.046 -10.945 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.449 -5.400 -7.598 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.797 -5.228 -7.069 1.00 0.00 C ATOM 1320 C HIS A 91 -10.885 -3.974 -6.204 1.00 0.00 C ATOM 1321 O HIS A 91 -11.963 -3.403 -6.026 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.209 -6.453 -6.253 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.502 -6.278 -5.518 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.785 -5.627 -4.366 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.696 -6.809 -5.959 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.130 -5.774 -4.134 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.657 -6.491 -5.111 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.018 -6.297 -7.373 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.479 -5.117 -7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.293 -7.311 -6.920 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.421 -6.683 -5.535 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.825 -7.394 -6.858 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.670 -5.370 -3.290 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.639 -6.754 -5.196 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.746 -3.550 -5.668 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.695 -2.365 -4.819 1.00 0.00 C ATOM 1338 C PHE A 92 -9.347 -1.124 -5.638 1.00 0.00 C ATOM 1339 O PHE A 92 -9.584 0.005 -5.208 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.668 -2.555 -3.701 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.256 -3.113 -2.436 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.389 -2.547 -1.875 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.675 -4.203 -1.809 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.931 -3.059 -0.711 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.213 -4.720 -0.645 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.343 -4.147 -0.096 1.00 0.00 C ATOM 0 H PHE A 92 -8.846 -4.009 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.681 -2.224 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.880 -3.222 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.199 -1.596 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.854 -1.697 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.791 -4.654 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.814 -2.608 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.750 -5.570 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.766 -4.549 0.813 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.783 -1.343 -6.821 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.402 -0.245 -7.702 1.00 0.00 C ATOM 1358 C LYS A 93 -9.631 0.377 -8.358 1.00 0.00 C ATOM 1359 O LYS A 93 -9.565 1.478 -8.904 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.433 -0.740 -8.777 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.154 -1.337 -8.215 1.00 0.00 C ATOM 1362 CD LYS A 93 -4.989 -1.167 -9.176 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.064 -2.161 -10.323 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.123 -1.812 -11.423 1.00 0.00 N ATOM 0 H LYS A 93 -8.580 -2.271 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.908 0.517 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.935 -1.489 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.178 0.091 -9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.915 -0.859 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.306 -2.397 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.988 -0.152 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.050 -1.300 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.835 -3.160 -9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.082 -2.191 -10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.205 -2.514 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.357 -0.869 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.149 -1.809 -11.059 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.751 -0.336 -8.300 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.996 0.147 -8.886 1.00 0.00 C ATOM 1380 C LYS A 94 -12.973 0.588 -7.801 1.00 0.00 C ATOM 1381 O LYS A 94 -13.709 1.561 -7.971 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.634 -0.944 -9.749 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.905 -2.234 -8.996 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.131 -3.398 -9.946 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.602 -3.550 -10.303 1.00 0.00 C ATOM 1386 NZ LYS A 94 -14.786 -4.118 -11.668 1.00 0.00 N ATOM 0 H LYS A 94 -10.822 -1.250 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.764 1.008 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.572 -0.569 -10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.979 -1.157 -10.594 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.064 -2.457 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.781 -2.108 -8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.549 -3.245 -10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.770 -4.319 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.088 -4.196 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.092 -2.578 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.802 -4.206 -11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.344 -3.489 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.341 -5.057 -11.716 1.00 0.00 H new ATOM 1400 N THR A 95 -12.974 -0.132 -6.683 1.00 0.00 N ATOM 1401 CA THR A 95 -13.860 0.185 -5.571 1.00 0.00 C ATOM 1402 C THR A 95 -13.184 1.128 -4.581 1.00 0.00 C ATOM 1403 O THR A 95 -13.614 2.266 -4.401 1.00 0.00 O ATOM 1404 CB THR A 95 -14.305 -1.088 -4.827 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.166 -1.763 -4.285 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.060 -2.024 -5.760 1.00 0.00 C ATOM 0 H THR A 95 -12.370 -0.939 -6.524 1.00 0.00 H new ATOM 0 HA THR A 95 -14.737 0.675 -5.995 1.00 0.00 H new ATOM 0 HB THR A 95 -14.971 -0.794 -4.016 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.939 -2.529 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.364 -2.916 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.944 -1.517 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.413 -2.310 -6.589 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.122 0.646 -3.942 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.403 1.460 -2.979 1.00 0.00 C ATOM 1416 C GLY A 96 -11.414 0.856 -1.589 1.00 0.00 C ATOM 1417 O GLY A 96 -12.284 0.049 -1.262 1.00 0.00 O ATOM 0 H GLY A 96 -11.747 -0.293 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.372 1.584 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.848 2.454 -2.944 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.444 1.246 -0.770 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.344 0.738 0.593 1.00 0.00 C ATOM 1423 C ILE A 97 -10.838 1.769 1.602 1.00 0.00 C ATOM 1424 O ILE A 97 -10.524 2.955 1.496 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.896 0.346 0.943 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.399 -0.751 -0.001 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.807 -0.112 2.391 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.892 -0.807 -0.122 1.00 0.00 C ATOM 0 H ILE A 97 -9.716 1.912 -1.026 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.975 -0.149 0.646 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.258 1.221 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.763 -1.716 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.829 -0.591 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.778 -0.386 2.623 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.125 0.697 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.455 -0.976 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.611 -1.607 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.522 0.144 -0.505 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.455 -0.998 0.858 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.611 1.309 2.580 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.148 2.192 3.610 1.00 0.00 C ATOM 1442 C GLU A 98 -11.457 1.949 4.948 1.00 0.00 C ATOM 1443 O GLU A 98 -11.543 0.859 5.513 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.656 1.983 3.755 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.273 2.780 4.893 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.788 2.711 4.898 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.336 1.671 4.480 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.425 3.698 5.321 1.00 0.00 O ATOM 0 H GLU A 98 -11.880 0.330 2.681 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.959 3.222 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.145 2.261 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.854 0.923 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.893 2.404 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.961 3.821 4.814 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.772 2.973 5.448 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.066 2.870 6.721 1.00 0.00 C ATOM 1457 C GLU A 99 -10.990 3.214 7.885 1.00 0.00 C ATOM 1458 O GLU A 99 -11.961 3.953 7.723 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.848 3.796 6.729 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.759 3.380 5.755 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.774 2.400 6.364 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -7.187 1.265 6.681 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.593 2.770 6.526 1.00 0.00 O ATOM 0 H GLU A 99 -10.691 3.882 4.992 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.731 1.840 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.171 4.809 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.431 3.825 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -8.217 2.929 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.222 4.266 5.416 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.679 2.674 9.059 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.479 2.925 10.251 1.00 0.00 C ATOM 1472 C ALA A 100 -11.588 4.420 10.534 1.00 0.00 C ATOM 1473 O ALA A 100 -12.687 4.969 10.610 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.883 2.201 11.449 1.00 0.00 C ATOM 0 H ALA A 100 -9.879 2.060 9.210 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.483 2.541 10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.491 2.398 12.332 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.863 1.129 11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.867 2.557 11.621 1.00 0.00 H new ATOM 1480 N SER A 101 -10.440 5.072 10.692 1.00 0.00 N ATOM 1481 CA SER A 101 -10.407 6.504 10.971 1.00 0.00 C ATOM 1482 C SER A 101 -11.533 7.227 10.238 1.00 0.00 C ATOM 1483 O SER A 101 -12.206 8.086 10.805 1.00 0.00 O ATOM 1484 CB SER A 101 -9.056 7.093 10.563 1.00 0.00 C ATOM 1485 OG SER A 101 -8.090 6.906 11.583 1.00 0.00 O ATOM 0 H SER A 101 -9.522 4.632 10.632 1.00 0.00 H new ATOM 0 HA SER A 101 -10.547 6.644 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.713 6.621 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.168 8.157 10.354 1.00 0.00 H new ATOM 0 HG SER A 101 -7.234 7.290 11.298 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.729 6.872 8.972 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.773 7.496 8.180 1.00 0.00 C ATOM 1493 C GLY A 102 -12.263 8.005 6.846 1.00 0.00 C ATOM 1494 O GLY A 102 -12.850 8.911 6.254 1.00 0.00 O ATOM 0 H GLY A 102 -11.184 6.164 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.574 6.777 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.204 8.325 8.741 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.166 7.423 6.373 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.577 7.823 5.101 1.00 0.00 C ATOM 1500 C ALA A 103 -10.804 6.759 4.033 1.00 0.00 C ATOM 1501 O ALA A 103 -11.114 5.610 4.343 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.090 8.097 5.270 1.00 0.00 C ATOM 0 H ALA A 103 -10.667 6.673 6.852 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.068 8.739 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.664 8.395 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.948 8.898 5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.592 7.195 5.624 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.646 7.150 2.772 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.835 6.229 1.657 1.00 0.00 C ATOM 1510 C PHE A 104 -9.634 6.263 0.715 1.00 0.00 C ATOM 1511 O PHE A 104 -9.438 7.226 -0.026 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.110 6.581 0.888 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.325 5.845 1.376 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.663 4.611 0.846 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.129 6.388 2.365 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.782 3.933 1.292 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.248 5.714 2.817 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.575 4.484 2.280 1.00 0.00 C ATOM 0 H PHE A 104 -10.388 8.098 2.497 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.930 5.221 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.288 7.653 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.961 6.360 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.045 4.173 0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.878 7.350 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.036 2.973 0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.866 6.148 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.448 3.955 2.632 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.833 5.203 0.750 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.652 5.109 -0.099 1.00 0.00 C ATOM 1530 C VAL A 105 -8.028 4.702 -1.520 1.00 0.00 C ATOM 1531 O VAL A 105 -8.897 3.855 -1.725 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.636 4.095 0.461 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.538 3.823 -0.555 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.049 4.599 1.770 1.00 0.00 C ATOM 0 H VAL A 105 -8.981 4.397 1.358 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.195 6.098 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.155 3.157 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.830 3.105 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.978 3.416 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.018 4.753 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.333 3.871 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.544 5.550 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.849 4.738 2.498 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.367 5.311 -2.498 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.633 5.014 -3.901 1.00 0.00 C ATOM 1546 C TYR A 106 -6.365 4.544 -4.608 1.00 0.00 C ATOM 1547 O TYR A 106 -5.267 5.029 -4.329 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.197 6.248 -4.607 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.417 6.829 -3.928 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.427 6.005 -3.448 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.560 8.202 -3.770 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.543 6.532 -2.827 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.672 8.737 -3.150 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.661 7.898 -2.680 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.771 8.428 -2.064 1.00 0.00 O ATOM 0 H TYR A 106 -6.643 6.013 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.369 4.211 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.422 7.013 -4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.454 5.984 -5.633 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.338 4.935 -3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.788 8.862 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.319 5.877 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.767 9.807 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.697 9.405 -2.041 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.524 3.598 -5.526 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.393 3.061 -6.276 1.00 0.00 C ATOM 1567 C LEU A 107 -5.604 3.233 -7.777 1.00 0.00 C ATOM 1568 O LEU A 107 -6.248 2.405 -8.423 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.192 1.581 -5.944 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.354 1.195 -4.473 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.800 0.830 -4.174 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.427 0.042 -4.119 1.00 0.00 C ATOM 0 H LEU A 107 -7.425 3.186 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.501 3.616 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.901 0.998 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.193 1.289 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.083 2.054 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.897 0.558 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.443 1.684 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.098 -0.014 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.556 -0.219 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.667 -0.821 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.393 0.339 -4.295 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.057 4.313 -8.326 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.185 4.593 -9.751 1.00 0.00 C ATOM 1586 C ARG A 108 -4.023 3.984 -10.531 1.00 0.00 C ATOM 1587 O ARG A 108 -4.212 3.440 -11.620 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.239 6.102 -9.993 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.339 6.804 -9.214 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.819 8.056 -9.933 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.546 7.739 -11.158 1.00 0.00 N ATOM 1592 CZ ARG A 108 -7.854 8.640 -12.084 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -7.497 9.907 -11.925 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.519 8.275 -13.173 1.00 0.00 N ATOM 0 H ARG A 108 -4.521 5.008 -7.806 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.113 4.142 -10.102 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.278 6.540 -9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.385 6.286 -11.057 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.177 6.122 -9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.971 7.070 -8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.463 8.631 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.963 8.687 -10.173 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.833 6.772 -11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.985 10.192 -11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.735 10.597 -12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.794 7.301 -13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.755 8.968 -13.883 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.824 4.078 -9.966 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.632 3.537 -10.609 1.00 0.00 C ATOM 1610 C GLN A 109 -0.599 3.111 -9.572 1.00 0.00 C ATOM 1611 O GLN A 109 -0.427 3.749 -8.533 1.00 0.00 O ATOM 1612 CB GLN A 109 -1.024 4.573 -11.558 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.465 5.795 -10.846 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.495 6.894 -10.680 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.569 6.851 -11.281 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.172 7.890 -9.862 1.00 0.00 N ATOM 0 H GLN A 109 -2.652 4.523 -9.065 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.927 2.658 -11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.228 4.102 -12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.785 4.894 -12.269 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.092 5.500 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.386 6.181 -11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.271 7.886 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.825 8.659 -9.712 1.00 0.00 H new ATOM 1625 N PRO A 110 0.106 2.007 -9.858 1.00 0.00 N ATOM 1626 CA PRO A 110 1.135 1.470 -8.961 1.00 0.00 C ATOM 1627 C PRO A 110 2.371 2.363 -8.898 1.00 0.00 C ATOM 1628 O PRO A 110 2.338 3.516 -9.325 1.00 0.00 O ATOM 1629 CB PRO A 110 1.483 0.119 -9.588 1.00 0.00 C ATOM 1630 CG PRO A 110 1.138 0.270 -11.030 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.045 1.196 -11.077 1.00 0.00 C ATOM 0 HA PRO A 110 0.782 1.399 -7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.539 -0.118 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.915 -0.689 -9.128 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.977 0.680 -11.591 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.897 -0.695 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.035 1.814 -11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.986 0.646 -11.079 1.00 0.00 H new ATOM 1639 N TYR A 111 3.459 1.820 -8.364 1.00 0.00 N ATOM 1640 CA TYR A 111 4.705 2.567 -8.243 1.00 0.00 C ATOM 1641 C TYR A 111 5.881 1.757 -8.778 1.00 0.00 C ATOM 1642 O TYR A 111 6.226 0.707 -8.234 1.00 0.00 O ATOM 1643 CB TYR A 111 4.957 2.948 -6.783 1.00 0.00 C ATOM 1644 CG TYR A 111 6.276 3.654 -6.560 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.455 4.974 -6.956 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.341 3.001 -5.953 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.658 5.623 -6.754 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.547 3.643 -5.747 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.700 4.953 -6.150 1.00 0.00 C ATOM 1650 OH TYR A 111 9.901 5.595 -5.947 1.00 0.00 O ATOM 0 H TYR A 111 3.503 0.865 -8.008 1.00 0.00 H new ATOM 0 HA TYR A 111 4.612 3.475 -8.838 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.147 3.592 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.929 2.046 -6.171 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.640 5.501 -7.430 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.225 1.975 -5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.781 6.649 -7.068 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.365 3.122 -5.273 1.00 0.00 H new ATOM 0 HH TYR A 111 9.779 6.320 -5.299 1.00 0.00 H new ATOM 1660 N TYR A 112 6.493 2.251 -9.849 1.00 0.00 N ATOM 1661 CA TYR A 112 7.629 1.572 -10.462 1.00 0.00 C ATOM 1662 C TYR A 112 8.945 2.208 -10.022 1.00 0.00 C ATOM 1663 O TYR A 112 9.064 3.432 -9.959 1.00 0.00 O ATOM 1664 CB TYR A 112 7.514 1.613 -11.985 1.00 0.00 C ATOM 1665 CG TYR A 112 6.131 1.276 -12.497 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.462 0.142 -12.054 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.493 2.091 -13.425 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.200 -0.171 -12.520 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.231 1.788 -13.894 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.588 0.655 -13.439 1.00 0.00 C ATOM 1671 OH TYR A 112 2.330 0.349 -13.905 1.00 0.00 O ATOM 0 H TYR A 112 6.221 3.119 -10.311 1.00 0.00 H new ATOM 0 HA TYR A 112 7.620 0.533 -10.133 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.790 2.608 -12.335 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.232 0.914 -12.414 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.937 -0.506 -11.333 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.994 2.977 -13.785 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.695 -1.058 -12.166 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.749 2.434 -14.613 1.00 0.00 H new ATOM 0 HH TYR A 112 2.043 1.033 -14.545 1.00 0.00 H new ATOM 1681 N SER A 113 9.929 1.369 -9.720 1.00 0.00 N ATOM 1682 CA SER A 113 11.235 1.847 -9.284 1.00 0.00 C ATOM 1683 C SER A 113 12.293 1.587 -10.353 1.00 0.00 C ATOM 1684 O SER A 113 12.948 2.512 -10.831 1.00 0.00 O ATOM 1685 CB SER A 113 11.640 1.167 -7.974 1.00 0.00 C ATOM 1686 OG SER A 113 11.150 1.886 -6.855 1.00 0.00 O ATOM 0 H SER A 113 9.847 0.354 -9.769 1.00 0.00 H new ATOM 0 HA SER A 113 11.165 2.922 -9.120 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.253 0.148 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.726 1.096 -7.918 1.00 0.00 H new ATOM 0 HG SER A 113 10.259 2.241 -7.059 1.00 0.00 H new ATOM 1692 N GLY A 114 12.454 0.320 -10.721 1.00 0.00 N ATOM 1693 CA GLY A 114 13.434 -0.039 -11.730 1.00 0.00 C ATOM 1694 C GLY A 114 13.932 -1.462 -11.571 1.00 0.00 C ATOM 1695 O GLY A 114 13.646 -2.137 -10.582 1.00 0.00 O ATOM 0 H GLY A 114 11.924 -0.464 -10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.993 0.080 -12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 114 14.279 0.647 -11.673 1.00 0.00 H new ATOM 1699 N PRO A 115 14.698 -1.940 -12.565 1.00 0.00 N ATOM 1700 CA PRO A 115 15.254 -3.296 -12.555 1.00 0.00 C ATOM 1701 C PRO A 115 16.342 -3.469 -11.501 1.00 0.00 C ATOM 1702 O PRO A 115 16.537 -4.562 -10.970 1.00 0.00 O ATOM 1703 CB PRO A 115 15.841 -3.449 -13.960 1.00 0.00 C ATOM 1704 CG PRO A 115 16.137 -2.057 -14.401 1.00 0.00 C ATOM 1705 CD PRO A 115 15.080 -1.190 -13.773 1.00 0.00 C ATOM 0 HA PRO A 115 14.500 -4.044 -12.310 1.00 0.00 H new ATOM 0 HB2 PRO A 115 16.743 -4.061 -13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.135 -3.936 -14.633 1.00 0.00 H new ATOM 0 HG2 PRO A 115 17.133 -1.750 -14.083 1.00 0.00 H new ATOM 0 HG3 PRO A 115 16.111 -1.978 -15.488 1.00 0.00 H new ATOM 0 HD2 PRO A 115 15.466 -0.201 -13.527 1.00 0.00 H new ATOM 0 HD3 PRO A 115 14.231 -1.044 -14.441 1.00 0.00 H new ATOM 1713 N SER A 116 17.049 -2.383 -11.204 1.00 0.00 N ATOM 1714 CA SER A 116 18.121 -2.416 -10.215 1.00 0.00 C ATOM 1715 C SER A 116 17.560 -2.290 -8.802 1.00 0.00 C ATOM 1716 O SER A 116 16.356 -2.117 -8.613 1.00 0.00 O ATOM 1717 CB SER A 116 19.123 -1.291 -10.481 1.00 0.00 C ATOM 1718 OG SER A 116 18.478 -0.031 -10.516 1.00 0.00 O ATOM 0 H SER A 116 16.899 -1.470 -11.634 1.00 0.00 H new ATOM 0 HA SER A 116 18.632 -3.375 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 116 19.888 -1.290 -9.704 1.00 0.00 H new ATOM 0 HB3 SER A 116 19.631 -1.469 -11.429 1.00 0.00 H new ATOM 0 HG SER A 116 19.140 0.671 -10.686 1.00 0.00 H new ATOM 1724 N SER A 117 18.444 -2.377 -7.812 1.00 0.00 N ATOM 1725 CA SER A 117 18.038 -2.276 -6.415 1.00 0.00 C ATOM 1726 C SER A 117 19.053 -1.469 -5.612 1.00 0.00 C ATOM 1727 O SER A 117 20.235 -1.812 -5.559 1.00 0.00 O ATOM 1728 CB SER A 117 17.880 -3.670 -5.806 1.00 0.00 C ATOM 1729 OG SER A 117 19.041 -4.454 -6.020 1.00 0.00 O ATOM 0 H SER A 117 19.445 -2.517 -7.952 1.00 0.00 H new ATOM 0 HA SER A 117 17.078 -1.760 -6.377 1.00 0.00 H new ATOM 0 HB2 SER A 117 17.688 -3.584 -4.737 1.00 0.00 H new ATOM 0 HB3 SER A 117 17.015 -4.167 -6.246 1.00 0.00 H new ATOM 0 HG SER A 117 19.838 -3.918 -5.825 1.00 0.00 H new ATOM 1735 N GLY A 118 18.585 -0.395 -4.984 1.00 0.00 N ATOM 1736 CA GLY A 118 19.464 0.445 -4.192 1.00 0.00 C ATOM 1737 C GLY A 118 19.405 1.902 -4.607 1.00 0.00 C ATOM 1738 O GLY A 118 20.212 2.694 -4.126 1.00 0.00 O ATOM 0 H GLY A 118 17.612 -0.091 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 118 19.192 0.359 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 118 20.488 0.085 -4.287 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 9.531 8.368 25.628 1.00 0.00 N ATOM 1744 CA MET B 1 8.727 7.643 24.651 1.00 0.00 C ATOM 1745 C MET B 1 9.468 7.515 23.324 1.00 0.00 C ATOM 1746 O MET B 1 9.936 8.508 22.765 1.00 0.00 O ATOM 1747 CB MET B 1 7.388 8.352 24.435 1.00 0.00 C ATOM 1748 CG MET B 1 6.434 8.221 25.612 1.00 0.00 C ATOM 1749 SD MET B 1 4.928 9.188 25.395 1.00 0.00 S ATOM 1750 CE MET B 1 4.174 9.006 27.009 1.00 0.00 C ATOM 0 H1 MET B 1 9.095 8.283 26.568 1.00 0.00 H new ATOM 0 H2 MET B 1 10.490 7.967 25.654 1.00 0.00 H new ATOM 0 H3 MET B 1 9.582 9.371 25.360 1.00 0.00 H new ATOM 0 HA MET B 1 8.542 6.642 25.041 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.573 9.409 24.243 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.910 7.945 23.544 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.171 7.172 25.747 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.940 8.543 26.522 1.00 0.00 H new ATOM 0 HE1 MET B 1 3.230 9.550 27.033 1.00 0.00 H new ATOM 0 HE2 MET B 1 3.989 7.950 27.207 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.843 9.407 27.770 1.00 0.00 H new ATOM 1760 N ASP B 2 9.571 6.289 22.824 1.00 0.00 N ATOM 1761 CA ASP B 2 10.256 6.032 21.563 1.00 0.00 C ATOM 1762 C ASP B 2 9.649 4.826 20.851 1.00 0.00 C ATOM 1763 O ASP B 2 9.495 3.758 21.442 1.00 0.00 O ATOM 1764 CB ASP B 2 11.748 5.801 21.804 1.00 0.00 C ATOM 1765 CG ASP B 2 12.007 4.688 22.801 1.00 0.00 C ATOM 1766 OD1 ASP B 2 12.036 3.511 22.383 1.00 0.00 O ATOM 1767 OD2 ASP B 2 12.181 4.994 24.000 1.00 0.00 O ATOM 0 H ASP B 2 9.189 5.457 23.273 1.00 0.00 H new ATOM 0 HA ASP B 2 10.132 6.908 20.926 1.00 0.00 H new ATOM 0 HB2 ASP B 2 12.233 5.558 20.858 1.00 0.00 H new ATOM 0 HB3 ASP B 2 12.202 6.723 22.167 1.00 0.00 H new ATOM 1772 N ASN B 3 9.307 5.006 19.580 1.00 0.00 N ATOM 1773 CA ASN B 3 8.716 3.933 18.789 1.00 0.00 C ATOM 1774 C ASN B 3 9.259 3.946 17.363 1.00 0.00 C ATOM 1775 O ASN B 3 9.555 5.005 16.812 1.00 0.00 O ATOM 1776 CB ASN B 3 7.192 4.066 18.767 1.00 0.00 C ATOM 1777 CG ASN B 3 6.530 3.001 17.914 1.00 0.00 C ATOM 1778 OD1 ASN B 3 6.691 2.981 16.693 1.00 0.00 O ATOM 1779 ND2 ASN B 3 5.781 2.112 18.553 1.00 0.00 N ATOM 0 H ASN B 3 9.429 5.884 19.076 1.00 0.00 H new ATOM 0 HA ASN B 3 8.984 2.984 19.253 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.810 4.001 19.786 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.922 5.051 18.387 1.00 0.00 H new ATOM 0 HD21 ASN B 3 5.310 1.373 18.031 1.00 0.00 H new ATOM 0 HD22 ASN B 3 5.676 2.168 19.566 1.00 0.00 H new ATOM 1786 N GLN B 4 9.385 2.762 16.773 1.00 0.00 N ATOM 1787 CA GLN B 4 9.892 2.637 15.411 1.00 0.00 C ATOM 1788 C GLN B 4 8.819 2.083 14.480 1.00 0.00 C ATOM 1789 O GLN B 4 7.737 1.698 14.921 1.00 0.00 O ATOM 1790 CB GLN B 4 11.126 1.733 15.385 1.00 0.00 C ATOM 1791 CG GLN B 4 12.422 2.462 15.697 1.00 0.00 C ATOM 1792 CD GLN B 4 13.493 1.540 16.244 1.00 0.00 C ATOM 1793 OE1 GLN B 4 13.592 0.378 15.845 1.00 0.00 O ATOM 1794 NE2 GLN B 4 14.304 2.053 17.162 1.00 0.00 N ATOM 0 H GLN B 4 9.143 1.876 17.216 1.00 0.00 H new ATOM 0 HA GLN B 4 10.172 3.631 15.061 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.990 0.927 16.106 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.207 1.271 14.401 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.791 2.944 14.791 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.224 3.253 16.421 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.186 3.020 17.463 1.00 0.00 H new ATOM 0 HE22 GLN B 4 15.045 1.480 17.566 1.00 0.00 H new ATOM 1803 N GLY B 5 9.127 2.045 13.187 1.00 0.00 N ATOM 1804 CA GLY B 5 8.179 1.536 12.212 1.00 0.00 C ATOM 1805 C GLY B 5 7.044 2.505 11.947 1.00 0.00 C ATOM 1806 O GLY B 5 6.801 3.419 12.736 1.00 0.00 O ATOM 0 H GLY B 5 10.016 2.358 12.797 1.00 0.00 H new ATOM 0 HA2 GLY B 5 8.700 1.327 11.278 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.770 0.590 12.567 1.00 0.00 H new ATOM 1810 N VAL B 6 6.348 2.308 10.832 1.00 0.00 N ATOM 1811 CA VAL B 6 5.232 3.172 10.464 1.00 0.00 C ATOM 1812 C VAL B 6 3.912 2.615 10.983 1.00 0.00 C ATOM 1813 O VAL B 6 3.727 1.401 11.064 1.00 0.00 O ATOM 1814 CB VAL B 6 5.139 3.347 8.936 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.154 4.372 8.453 1.00 0.00 C ATOM 1816 CG2 VAL B 6 5.340 2.013 8.234 1.00 0.00 C ATOM 0 H VAL B 6 6.537 1.558 10.168 1.00 0.00 H new ATOM 0 HA VAL B 6 5.418 4.143 10.923 1.00 0.00 H new ATOM 0 HB VAL B 6 4.143 3.714 8.690 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.073 4.482 7.372 1.00 0.00 H new ATOM 0 HG12 VAL B 6 5.958 5.332 8.931 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.159 4.038 8.710 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.271 2.155 7.156 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.323 1.614 8.485 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.570 1.312 8.557 1.00 0.00 H new ATOM 1826 N ILE B 7 2.995 3.512 11.334 1.00 0.00 N ATOM 1827 CA ILE B 7 1.690 3.109 11.843 1.00 0.00 C ATOM 1828 C ILE B 7 0.825 2.521 10.734 1.00 0.00 C ATOM 1829 O ILE B 7 0.941 2.906 9.570 1.00 0.00 O ATOM 1830 CB ILE B 7 0.946 4.296 12.484 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.850 5.007 13.495 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.334 3.820 13.154 1.00 0.00 C ATOM 1833 CD1 ILE B 7 2.037 4.236 14.783 1.00 0.00 C ATOM 0 H ILE B 7 3.132 4.521 11.275 1.00 0.00 H new ATOM 0 HA ILE B 7 1.868 2.348 12.603 1.00 0.00 H new ATOM 0 HB ILE B 7 0.680 5.005 11.700 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.825 5.180 13.040 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.427 5.985 13.724 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.848 4.670 13.602 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.982 3.354 12.411 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.090 3.094 13.929 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.688 4.798 15.452 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.069 4.085 15.261 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.489 3.268 14.565 1.00 0.00 H new HETATM 1845 N PTR B 8 -0.046 1.589 11.104 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.932 0.946 10.140 1.00 0.00 C HETATM 1847 C PTR B 8 -2.393 1.253 10.454 1.00 0.00 C HETATM 1848 O PTR B 8 -2.947 0.755 11.435 1.00 0.00 O HETATM 1849 CB PTR B 8 -0.706 -0.567 10.138 1.00 0.00 C HETATM 1850 CG PTR B 8 0.526 -0.995 9.373 1.00 0.00 C HETATM 1851 CD1 PTR B 8 0.420 -1.773 8.227 1.00 0.00 C HETATM 1852 CD2 PTR B 8 1.795 -0.621 9.796 1.00 0.00 C HETATM 1853 CE1 PTR B 8 1.543 -2.167 7.524 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.923 -1.009 9.099 1.00 0.00 C HETATM 1855 CZ PTR B 8 2.792 -1.782 7.965 1.00 0.00 C HETATM 1856 OH PTR B 8 3.913 -2.172 7.268 1.00 0.00 O HETATM 1857 P PTR B 8 5.231 -2.795 7.927 1.00 0.00 P HETATM 1858 O1P PTR B 8 4.863 -3.842 8.905 1.00 0.00 O HETATM 1859 O2P PTR B 8 6.085 -3.396 6.878 1.00 0.00 O HETATM 1860 O3P PTR B 8 5.998 -1.737 8.623 1.00 0.00 O HETATM 0 HE2 PTR B 8 3.911 -0.706 9.444 1.00 0.00 H new HETATM 0 HE1 PTR B 8 1.442 -2.778 6.627 1.00 0.00 H new HETATM 0 HD2 PTR B 8 1.903 -0.011 10.693 1.00 0.00 H new HETATM 0 HD1 PTR B 8 -0.566 -2.078 7.876 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.623 -0.915 11.168 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.579 -1.056 9.706 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.701 1.342 9.151 1.00 0.00 H new ATOM 1869 N SER B 9 -3.012 2.076 9.614 1.00 0.00 N ATOM 1870 CA SER B 9 -4.407 2.453 9.802 1.00 0.00 C ATOM 1871 C SER B 9 -5.333 1.275 9.511 1.00 0.00 C ATOM 1872 O SER B 9 -5.504 0.874 8.360 1.00 0.00 O ATOM 1873 CB SER B 9 -4.766 3.633 8.896 1.00 0.00 C ATOM 1874 OG SER B 9 -4.523 4.868 9.546 1.00 0.00 O ATOM 0 H SER B 9 -2.569 2.495 8.796 1.00 0.00 H new ATOM 0 HA SER B 9 -4.539 2.749 10.843 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.182 3.581 7.977 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.816 3.570 8.610 1.00 0.00 H new ATOM 0 HG SER B 9 -4.759 5.606 8.945 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.927 0.725 10.566 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.835 -0.407 10.425 1.00 0.00 C ATOM 1882 C ASP B 10 -7.984 -0.068 9.481 1.00 0.00 C ATOM 1883 O ASP B 10 -8.140 1.079 9.062 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.386 -0.819 11.792 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.545 -1.890 12.457 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -6.266 -2.916 11.802 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.167 -1.704 13.632 1.00 0.00 O ATOM 0 H ASP B 10 -5.796 1.045 11.526 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.275 -1.240 10.001 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.433 0.056 12.440 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.406 -1.184 11.674 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.786 -1.074 9.148 1.00 0.00 N ATOM 1893 CA LEU B 11 -9.921 -0.883 8.251 1.00 0.00 C ATOM 1894 C LEU B 11 -11.227 -0.805 9.035 1.00 0.00 C ATOM 1895 O LEU B 11 -11.223 -0.770 10.265 1.00 0.00 O ATOM 1896 CB LEU B 11 -9.990 -2.024 7.234 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.255 -1.793 5.915 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -7.797 -1.443 6.171 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.361 -3.021 5.022 1.00 0.00 C ATOM 0 H LEU B 11 -8.671 -2.030 9.485 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.780 0.059 7.721 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.586 -2.923 7.699 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.038 -2.223 7.012 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.725 -0.954 5.402 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.289 -1.282 5.220 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -7.741 -0.535 6.771 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.315 -2.261 6.706 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.832 -2.838 4.087 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.917 -3.878 5.528 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.410 -3.228 4.810 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.343 -0.780 8.315 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.657 -0.707 8.943 1.00 0.00 C ATOM 1913 C ASN B 12 -14.217 -2.104 9.195 1.00 0.00 C ATOM 1914 O ASN B 12 -14.560 -2.454 10.325 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.623 0.091 8.064 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.351 -0.784 7.063 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -14.747 -0.978 5.897 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.444 -1.280 7.335 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.364 -0.809 7.296 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.546 -0.200 9.902 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.352 0.598 8.697 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.070 0.865 7.531 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.872 -1.104 8.244 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.922 -1.867 6.651 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.308 -2.900 8.134 1.00 0.00 N ATOM 1926 CA LEU B 13 -14.826 -4.258 8.239 1.00 0.00 C ATOM 1927 C LEU B 13 -14.294 -4.949 9.491 1.00 0.00 C ATOM 1928 O LEU B 13 -15.050 -5.485 10.303 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.446 -5.067 6.998 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.238 -4.266 5.712 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -12.784 -3.844 5.576 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.676 -5.078 4.501 1.00 0.00 C ATOM 0 H LEU B 13 -14.029 -2.627 7.192 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.912 -4.201 8.311 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.529 -5.615 7.213 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.225 -5.808 6.819 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.852 -3.367 5.763 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.655 -3.275 4.655 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.504 -3.224 6.428 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.149 -4.730 5.547 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.521 -4.492 3.595 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.089 -5.995 4.446 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.733 -5.329 4.594 1.00 0.00 H new ATOM 1944 N PRO B 14 -12.963 -4.934 9.656 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.301 -5.552 10.808 1.00 0.00 C ATOM 1946 C PRO B 14 -12.567 -4.794 12.104 1.00 0.00 C ATOM 1947 O PRO B 14 -12.988 -3.638 12.100 1.00 0.00 O ATOM 1948 CB PRO B 14 -10.816 -5.484 10.444 1.00 0.00 C ATOM 1949 CG PRO B 14 -10.711 -4.336 9.499 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.002 -4.314 8.728 1.00 0.00 C ATOM 0 HA PRO B 14 -12.662 -6.564 10.991 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.198 -5.327 11.328 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.479 -6.411 9.980 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.562 -3.400 10.037 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -9.859 -4.458 8.830 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.296 -3.298 8.465 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -11.924 -4.875 7.797 1.00 0.00 H new ATOM 1958 N PRO B 15 -12.316 -5.459 13.242 1.00 0.00 N ATOM 1959 CA PRO B 15 -12.519 -4.866 14.567 1.00 0.00 C ATOM 1960 C PRO B 15 -11.509 -3.765 14.871 1.00 0.00 C ATOM 1961 O PRO B 15 -10.308 -4.020 14.965 1.00 0.00 O ATOM 1962 CB PRO B 15 -12.325 -6.049 15.519 1.00 0.00 C ATOM 1963 CG PRO B 15 -11.448 -6.994 14.773 1.00 0.00 C ATOM 1964 CD PRO B 15 -11.812 -6.840 13.322 1.00 0.00 C ATOM 0 HA PRO B 15 -13.494 -4.387 14.654 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -11.862 -5.733 16.454 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -13.278 -6.512 15.775 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -10.396 -6.763 14.938 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -11.605 -8.019 15.108 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -10.949 -6.991 12.673 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -12.570 -7.563 13.019 1.00 0.00 H new TER 1972 PRO B 15