USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 CYS SG : rot 106:sc= 0.417 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= -1.42 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -1.63! C(o=-3.1!,f=-6.8!) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -10.1! C(o=-12!,f=-12!) USER MOD Set 3.2: A 13 MET CE :methyl 178:sc= -2.31! (180deg=-2.36!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0255 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 52:sc= 0.823 USER MOD Single : A 6 SER OG : rot 40:sc= 0.0613 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.677 USER MOD Single : A 12 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.69) USER MOD Single : A 14 SER OG : rot 180:sc= -1.04 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.76! X(o=-1.8!,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 83:sc= -1.65! USER MOD Single : A 36 SER OG : rot 180:sc= -0.606 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.6!) USER MOD Single : A 49 SER OG : rot -140:sc= 0.637 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 -15:sc= 1.62 USER MOD Single : A 63 THR OG1 : rot 154:sc= 0.0308 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -146:sc= -8.07! (180deg=-11.8!) USER MOD Single : A 75 THR OG1 : rot 151:sc= 1.44 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 16:sc= 0.617 USER MOD Single : A 91 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-0.64) 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 -130:sc= -1.77! 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 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.995 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.162 15.545 -23.352 1.00 0.00 N ATOM 2 CA GLY A 1 3.201 15.756 -21.915 1.00 0.00 C ATOM 3 C GLY A 1 3.816 14.551 -21.201 1.00 0.00 C ATOM 4 O GLY A 1 4.721 13.906 -21.729 1.00 0.00 O ATOM 0 H1 GLY A 1 3.506 16.398 -23.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.767 14.737 -23.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.184 15.349 -23.648 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.781 16.651 -21.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.192 15.928 -21.542 1.00 0.00 H new ATOM 8 N SER A 2 3.299 14.282 -20.010 1.00 0.00 N ATOM 9 CA SER A 2 3.786 13.166 -19.218 1.00 0.00 C ATOM 10 C SER A 2 5.227 13.427 -18.774 1.00 0.00 C ATOM 11 O SER A 2 6.168 13.159 -19.519 1.00 0.00 O ATOM 12 CB SER A 2 3.702 11.855 -20.003 1.00 0.00 C ATOM 13 OG SER A 2 2.852 10.905 -19.367 1.00 0.00 O ATOM 0 H SER A 2 2.548 14.818 -19.575 1.00 0.00 H new ATOM 0 HA SER A 2 3.153 13.072 -18.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.331 12.057 -21.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.701 11.432 -20.111 1.00 0.00 H new ATOM 0 HG SER A 2 2.824 10.083 -19.900 1.00 0.00 H new ATOM 19 N SER A 3 5.354 13.948 -17.563 1.00 0.00 N ATOM 20 CA SER A 3 6.664 14.249 -17.011 1.00 0.00 C ATOM 21 C SER A 3 6.675 13.968 -15.507 1.00 0.00 C ATOM 22 O SER A 3 6.344 14.841 -14.706 1.00 0.00 O ATOM 23 CB SER A 3 7.055 15.703 -17.282 1.00 0.00 C ATOM 24 OG SER A 3 8.046 15.809 -18.301 1.00 0.00 O ATOM 0 H SER A 3 4.571 14.170 -16.948 1.00 0.00 H new ATOM 0 HA SER A 3 7.397 13.607 -17.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.170 16.267 -17.577 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.430 16.155 -16.364 1.00 0.00 H new ATOM 0 HG SER A 3 8.267 16.753 -18.445 1.00 0.00 H new ATOM 30 N GLY A 4 7.060 12.746 -15.169 1.00 0.00 N ATOM 31 CA GLY A 4 7.119 12.339 -13.775 1.00 0.00 C ATOM 32 C GLY A 4 7.505 10.864 -13.651 1.00 0.00 C ATOM 33 O GLY A 4 8.679 10.514 -13.761 1.00 0.00 O ATOM 0 H GLY A 4 7.334 12.025 -15.836 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.844 12.954 -13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.151 12.506 -13.302 1.00 0.00 H new ATOM 37 N SER A 5 6.494 10.038 -13.423 1.00 0.00 N ATOM 38 CA SER A 5 6.713 8.609 -13.282 1.00 0.00 C ATOM 39 C SER A 5 5.372 7.886 -13.133 1.00 0.00 C ATOM 40 O SER A 5 5.050 6.999 -13.921 1.00 0.00 O ATOM 41 CB SER A 5 7.616 8.305 -12.085 1.00 0.00 C ATOM 42 OG SER A 5 8.972 8.110 -12.475 1.00 0.00 O ATOM 0 H SER A 5 5.521 10.332 -13.332 1.00 0.00 H new ATOM 0 HA SER A 5 7.214 8.250 -14.181 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.559 9.126 -11.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.254 7.412 -11.575 1.00 0.00 H new ATOM 0 HG SER A 5 9.266 8.866 -13.025 1.00 0.00 H new ATOM 48 N SER A 6 4.627 8.294 -12.116 1.00 0.00 N ATOM 49 CA SER A 6 3.329 7.696 -11.853 1.00 0.00 C ATOM 50 C SER A 6 2.454 8.672 -11.065 1.00 0.00 C ATOM 51 O SER A 6 2.843 9.817 -10.838 1.00 0.00 O ATOM 52 CB SER A 6 3.473 6.378 -11.091 1.00 0.00 C ATOM 53 OG SER A 6 3.378 5.248 -11.955 1.00 0.00 O ATOM 0 H SER A 6 4.897 9.031 -11.465 1.00 0.00 H new ATOM 0 HA SER A 6 2.852 7.480 -12.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.433 6.360 -10.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.699 6.315 -10.326 1.00 0.00 H new ATOM 0 HG SER A 6 3.846 5.438 -12.795 1.00 0.00 H new ATOM 59 N GLY A 7 1.288 8.184 -10.668 1.00 0.00 N ATOM 60 CA GLY A 7 0.354 8.999 -9.909 1.00 0.00 C ATOM 61 C GLY A 7 -0.602 8.124 -9.096 1.00 0.00 C ATOM 62 O GLY A 7 -1.797 8.071 -9.384 1.00 0.00 O ATOM 0 H GLY A 7 0.968 7.234 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.904 9.661 -9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.216 9.633 -10.588 1.00 0.00 H new ATOM 66 N TRP A 8 -0.041 7.460 -8.097 1.00 0.00 N ATOM 67 CA TRP A 8 -0.828 6.590 -7.240 1.00 0.00 C ATOM 68 C TRP A 8 -1.024 7.298 -5.898 1.00 0.00 C ATOM 69 O TRP A 8 -1.848 6.881 -5.086 1.00 0.00 O ATOM 70 CB TRP A 8 -0.170 5.216 -7.100 1.00 0.00 C ATOM 71 CG TRP A 8 1.282 5.169 -7.580 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.789 4.472 -8.606 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.399 5.880 -7.008 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.147 4.681 -8.737 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.530 5.565 -7.734 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.454 6.761 -5.914 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.797 6.086 -7.445 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.727 7.273 -5.637 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.875 6.965 -6.358 1.00 0.00 C ATOM 0 H TRP A 8 0.950 7.507 -7.861 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.807 6.400 -7.680 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.206 4.912 -6.054 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.752 4.487 -7.664 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.208 3.828 -9.249 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.757 4.264 -9.440 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.582 7.022 -5.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.667 5.824 -8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.824 7.955 -4.805 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.823 7.402 -6.081 1.00 0.00 H new ATOM 90 N TYR A 9 -0.252 8.358 -5.707 1.00 0.00 N ATOM 91 CA TYR A 9 -0.330 9.129 -4.478 1.00 0.00 C ATOM 92 C TYR A 9 -1.684 9.829 -4.354 1.00 0.00 C ATOM 93 O TYR A 9 -1.907 10.870 -4.972 1.00 0.00 O ATOM 94 CB TYR A 9 0.772 10.186 -4.572 1.00 0.00 C ATOM 95 CG TYR A 9 0.955 11.011 -3.296 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.599 10.462 -2.207 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.474 12.303 -3.235 1.00 0.00 C ATOM 98 CE1 TYR A 9 1.771 11.237 -1.006 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.646 13.079 -2.034 1.00 0.00 C ATOM 100 CZ TYR A 9 1.286 12.508 -0.979 1.00 0.00 C ATOM 101 OH TYR A 9 1.449 13.240 0.155 1.00 0.00 O ATOM 0 H TYR A 9 0.431 8.701 -6.383 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.213 8.480 -3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.714 9.693 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.545 10.860 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.974 9.450 -2.255 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.031 12.732 -4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.273 10.819 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.275 14.091 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 9 1.054 14.128 0.031 1.00 0.00 H new ATOM 111 N HIS A 10 -2.553 9.231 -3.553 1.00 0.00 N ATOM 112 CA HIS A 10 -3.880 9.785 -3.341 1.00 0.00 C ATOM 113 C HIS A 10 -3.781 11.030 -2.458 1.00 0.00 C ATOM 114 O HIS A 10 -4.611 11.933 -2.556 1.00 0.00 O ATOM 115 CB HIS A 10 -4.825 8.726 -2.770 1.00 0.00 C ATOM 116 CG HIS A 10 -5.103 7.579 -3.711 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.210 7.539 -4.539 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.405 6.431 -3.946 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.171 6.413 -5.237 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.052 5.727 -4.867 1.00 0.00 N ATOM 0 H HIS A 10 -2.365 8.368 -3.043 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.307 10.093 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.397 8.331 -1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.769 9.202 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.482 6.143 -3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.898 6.095 -5.970 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.760 4.822 -5.237 1.00 0.00 H new ATOM 128 N GLY A 11 -2.759 11.039 -1.615 1.00 0.00 N ATOM 129 CA GLY A 11 -2.540 12.159 -0.715 1.00 0.00 C ATOM 130 C GLY A 11 -2.893 11.781 0.726 1.00 0.00 C ATOM 131 O GLY A 11 -2.505 10.717 1.205 1.00 0.00 O ATOM 0 H GLY A 11 -2.073 10.288 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.498 12.474 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.146 13.008 -1.031 1.00 0.00 H new ATOM 135 N HIS A 12 -3.624 12.675 1.376 1.00 0.00 N ATOM 136 CA HIS A 12 -4.033 12.448 2.752 1.00 0.00 C ATOM 137 C HIS A 12 -5.259 11.534 2.779 1.00 0.00 C ATOM 138 O HIS A 12 -6.391 12.009 2.843 1.00 0.00 O ATOM 139 CB HIS A 12 -4.268 13.777 3.474 1.00 0.00 C ATOM 140 CG HIS A 12 -3.191 14.132 4.471 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.786 15.435 4.705 1.00 0.00 N ATOM 142 CD2 HIS A 12 -2.442 13.342 5.293 1.00 0.00 C ATOM 143 CE1 HIS A 12 -1.835 15.418 5.627 1.00 0.00 C ATOM 144 NE2 HIS A 12 -1.623 14.120 5.990 1.00 0.00 N ATOM 0 H HIS A 12 -3.943 13.557 0.976 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.234 11.942 3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.340 14.573 2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.227 13.734 3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.505 12.266 5.365 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.318 16.280 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.946 13.800 6.683 1.00 0.00 H new ATOM 152 N MET A 13 -4.991 10.237 2.728 1.00 0.00 N ATOM 153 CA MET A 13 -6.059 9.252 2.746 1.00 0.00 C ATOM 154 C MET A 13 -6.092 8.504 4.081 1.00 0.00 C ATOM 155 O MET A 13 -5.047 8.158 4.629 1.00 0.00 O ATOM 156 CB MET A 13 -5.851 8.252 1.606 1.00 0.00 C ATOM 157 CG MET A 13 -7.050 7.312 1.476 1.00 0.00 C ATOM 158 SD MET A 13 -6.722 6.071 0.235 1.00 0.00 S ATOM 159 CE MET A 13 -7.438 6.865 -1.194 1.00 0.00 C ATOM 0 H MET A 13 -4.050 9.846 2.674 1.00 0.00 H new ATOM 0 HA MET A 13 -7.009 9.771 2.617 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.702 8.789 0.669 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.947 7.671 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.254 6.835 2.434 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.941 7.880 1.207 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.288 6.237 -2.072 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.506 7.013 -1.031 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.958 7.831 -1.352 1.00 0.00 H new ATOM 169 N SER A 14 -7.305 8.277 4.565 1.00 0.00 N ATOM 170 CA SER A 14 -7.488 7.577 5.825 1.00 0.00 C ATOM 171 C SER A 14 -7.413 6.066 5.600 1.00 0.00 C ATOM 172 O SER A 14 -8.088 5.531 4.722 1.00 0.00 O ATOM 173 CB SER A 14 -8.822 7.952 6.474 1.00 0.00 C ATOM 174 OG SER A 14 -9.770 6.890 6.397 1.00 0.00 O ATOM 0 H SER A 14 -8.170 8.565 4.107 1.00 0.00 H new ATOM 0 HA SER A 14 -6.688 7.877 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.656 8.215 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.228 8.837 5.984 1.00 0.00 H new ATOM 0 HG SER A 14 -10.608 7.168 6.823 1.00 0.00 H new ATOM 180 N GLY A 15 -6.586 5.420 6.408 1.00 0.00 N ATOM 181 CA GLY A 15 -6.414 3.980 6.308 1.00 0.00 C ATOM 182 C GLY A 15 -7.748 3.287 6.027 1.00 0.00 C ATOM 183 O GLY A 15 -7.925 2.675 4.975 1.00 0.00 O ATOM 0 H GLY A 15 -6.027 5.867 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.706 3.749 5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.989 3.596 7.235 1.00 0.00 H new ATOM 187 N GLY A 16 -8.654 3.406 6.987 1.00 0.00 N ATOM 188 CA GLY A 16 -9.967 2.798 6.856 1.00 0.00 C ATOM 189 C GLY A 16 -10.555 3.056 5.467 1.00 0.00 C ATOM 190 O GLY A 16 -11.247 2.203 4.914 1.00 0.00 O ATOM 0 H GLY A 16 -8.504 3.914 7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.894 1.724 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.635 3.199 7.618 1.00 0.00 H new ATOM 194 N GLN A 17 -10.257 4.236 4.944 1.00 0.00 N ATOM 195 CA GLN A 17 -10.747 4.617 3.630 1.00 0.00 C ATOM 196 C GLN A 17 -10.132 3.720 2.553 1.00 0.00 C ATOM 197 O GLN A 17 -10.844 2.986 1.870 1.00 0.00 O ATOM 198 CB GLN A 17 -10.460 6.092 3.344 1.00 0.00 C ATOM 199 CG GLN A 17 -11.730 6.822 2.903 1.00 0.00 C ATOM 200 CD GLN A 17 -11.605 8.329 3.135 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.820 8.837 4.223 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.245 9.015 2.053 1.00 0.00 N ATOM 0 H GLN A 17 -9.683 4.941 5.406 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.828 4.482 3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.055 6.567 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.700 6.174 2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.917 6.627 1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.586 6.435 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.080 8.528 1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.134 10.028 2.105 1.00 0.00 H new ATOM 211 N ALA A 18 -8.815 3.809 2.436 1.00 0.00 N ATOM 212 CA ALA A 18 -8.096 3.015 1.454 1.00 0.00 C ATOM 213 C ALA A 18 -8.726 1.623 1.370 1.00 0.00 C ATOM 214 O ALA A 18 -9.019 1.136 0.279 1.00 0.00 O ATOM 215 CB ALA A 18 -6.613 2.962 1.827 1.00 0.00 C ATOM 0 H ALA A 18 -8.227 4.419 3.005 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.168 3.470 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.074 2.366 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.206 3.973 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.502 2.509 2.812 1.00 0.00 H new ATOM 221 N GLU A 19 -8.917 1.023 2.535 1.00 0.00 N ATOM 222 CA GLU A 19 -9.507 -0.303 2.607 1.00 0.00 C ATOM 223 C GLU A 19 -10.800 -0.353 1.790 1.00 0.00 C ATOM 224 O GLU A 19 -10.962 -1.218 0.930 1.00 0.00 O ATOM 225 CB GLU A 19 -9.759 -0.713 4.059 1.00 0.00 C ATOM 226 CG GLU A 19 -8.627 -1.598 4.584 1.00 0.00 C ATOM 227 CD GLU A 19 -9.182 -2.828 5.306 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.183 -3.379 4.800 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.591 -3.188 6.347 1.00 0.00 O ATOM 0 H GLU A 19 -8.674 1.431 3.438 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.803 -1.017 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.848 0.177 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.706 -1.248 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.993 -1.914 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.999 -1.025 5.266 1.00 0.00 H new ATOM 236 N THR A 20 -11.687 0.585 2.088 1.00 0.00 N ATOM 237 CA THR A 20 -12.960 0.658 1.392 1.00 0.00 C ATOM 238 C THR A 20 -12.745 1.027 -0.077 1.00 0.00 C ATOM 239 O THR A 20 -13.411 0.489 -0.960 1.00 0.00 O ATOM 240 CB THR A 20 -13.853 1.649 2.142 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.609 0.831 3.031 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.907 2.289 1.237 1.00 0.00 C ATOM 0 H THR A 20 -11.549 1.300 2.802 1.00 0.00 H new ATOM 0 HA THR A 20 -13.460 -0.310 1.382 1.00 0.00 H new ATOM 0 HB THR A 20 -13.235 2.429 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.214 1.393 3.558 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.513 2.983 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.413 2.828 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.547 1.512 0.818 1.00 0.00 H new ATOM 250 N LEU A 21 -11.812 1.943 -0.293 1.00 0.00 N ATOM 251 CA LEU A 21 -11.500 2.390 -1.640 1.00 0.00 C ATOM 252 C LEU A 21 -11.012 1.199 -2.468 1.00 0.00 C ATOM 253 O LEU A 21 -11.646 0.820 -3.452 1.00 0.00 O ATOM 254 CB LEU A 21 -10.513 3.558 -1.602 1.00 0.00 C ATOM 255 CG LEU A 21 -11.091 4.911 -1.181 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.672 5.266 0.247 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.709 6.005 -2.180 1.00 0.00 C ATOM 0 H LEU A 21 -11.262 2.388 0.442 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.394 2.775 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.704 3.302 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.071 3.666 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.178 4.835 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.096 6.232 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.036 4.502 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.585 5.317 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.132 6.956 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.623 6.089 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.099 5.750 -3.165 1.00 0.00 H new ATOM 269 N LEU A 22 -9.889 0.642 -2.039 1.00 0.00 N ATOM 270 CA LEU A 22 -9.308 -0.498 -2.728 1.00 0.00 C ATOM 271 C LEU A 22 -10.392 -1.552 -2.963 1.00 0.00 C ATOM 272 O LEU A 22 -10.432 -2.182 -4.020 1.00 0.00 O ATOM 273 CB LEU A 22 -8.093 -1.025 -1.963 1.00 0.00 C ATOM 274 CG LEU A 22 -6.788 -0.251 -2.161 1.00 0.00 C ATOM 275 CD1 LEU A 22 -5.832 -0.478 -0.988 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.142 -0.600 -3.503 1.00 0.00 C ATOM 0 H LEU A 22 -9.366 0.959 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.933 -0.201 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.332 -1.029 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.926 -2.061 -2.256 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.022 0.813 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.913 0.083 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.302 -0.139 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.599 -1.540 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.216 -0.036 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.923 -1.667 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.825 -0.345 -4.313 1.00 0.00 H new ATOM 288 N GLN A 23 -11.243 -1.713 -1.961 1.00 0.00 N ATOM 289 CA GLN A 23 -12.324 -2.681 -2.045 1.00 0.00 C ATOM 290 C GLN A 23 -13.358 -2.233 -3.079 1.00 0.00 C ATOM 291 O GLN A 23 -13.817 -3.035 -3.891 1.00 0.00 O ATOM 292 CB GLN A 23 -12.974 -2.896 -0.677 1.00 0.00 C ATOM 293 CG GLN A 23 -12.127 -3.828 0.192 1.00 0.00 C ATOM 294 CD GLN A 23 -12.749 -3.998 1.580 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.652 -3.280 1.977 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.215 -4.985 2.295 1.00 0.00 N ATOM 0 H GLN A 23 -11.206 -1.190 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.907 -3.635 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.098 -1.937 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.970 -3.319 -0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.037 -4.801 -0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.119 -3.425 0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.461 -5.549 1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.560 -5.178 3.235 1.00 0.00 H new ATOM 305 N ALA A 24 -13.695 -0.953 -3.017 1.00 0.00 N ATOM 306 CA ALA A 24 -14.666 -0.388 -3.938 1.00 0.00 C ATOM 307 C ALA A 24 -14.314 -0.811 -5.366 1.00 0.00 C ATOM 308 O ALA A 24 -15.201 -1.100 -6.168 1.00 0.00 O ATOM 309 CB ALA A 24 -14.703 1.132 -3.773 1.00 0.00 C ATOM 0 H ALA A 24 -13.312 -0.291 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.666 -0.764 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.432 1.555 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.986 1.380 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.717 1.545 -3.987 1.00 0.00 H new ATOM 315 N LYS A 25 -13.018 -0.834 -5.640 1.00 0.00 N ATOM 316 CA LYS A 25 -12.538 -1.217 -6.956 1.00 0.00 C ATOM 317 C LYS A 25 -12.604 -2.739 -7.096 1.00 0.00 C ATOM 318 O LYS A 25 -13.235 -3.255 -8.017 1.00 0.00 O ATOM 319 CB LYS A 25 -11.145 -0.636 -7.209 1.00 0.00 C ATOM 320 CG LYS A 25 -11.022 -0.111 -8.641 1.00 0.00 C ATOM 321 CD LYS A 25 -11.022 1.419 -8.666 1.00 0.00 C ATOM 322 CE LYS A 25 -11.218 1.944 -10.089 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.648 2.225 -10.346 1.00 0.00 N ATOM 0 H LYS A 25 -12.285 -0.593 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.179 -0.797 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.950 0.172 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.390 -1.402 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.103 -0.486 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.849 -0.488 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.817 1.797 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.081 1.793 -8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.632 2.852 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.851 1.211 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.763 2.581 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.200 1.351 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.988 2.941 -9.673 1.00 0.00 H new ATOM 337 N GLY A 26 -11.942 -3.416 -6.168 1.00 0.00 N ATOM 338 CA GLY A 26 -11.918 -4.868 -6.176 1.00 0.00 C ATOM 339 C GLY A 26 -10.686 -5.392 -6.917 1.00 0.00 C ATOM 340 O GLY A 26 -10.301 -6.548 -6.750 1.00 0.00 O ATOM 0 H GLY A 26 -11.419 -2.985 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.917 -5.241 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.822 -5.248 -6.652 1.00 0.00 H new ATOM 344 N GLU A 27 -10.102 -4.515 -7.721 1.00 0.00 N ATOM 345 CA GLU A 27 -8.921 -4.874 -8.489 1.00 0.00 C ATOM 346 C GLU A 27 -7.894 -5.566 -7.590 1.00 0.00 C ATOM 347 O GLU A 27 -7.381 -4.963 -6.649 1.00 0.00 O ATOM 348 CB GLU A 27 -8.315 -3.645 -9.169 1.00 0.00 C ATOM 349 CG GLU A 27 -9.027 -3.342 -10.489 1.00 0.00 C ATOM 350 CD GLU A 27 -10.544 -3.288 -10.294 1.00 0.00 C ATOM 351 OE1 GLU A 27 -11.117 -4.360 -10.002 1.00 0.00 O ATOM 352 OE2 GLU A 27 -11.096 -2.177 -10.440 1.00 0.00 O ATOM 0 H GLU A 27 -10.424 -3.557 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.218 -5.572 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.390 -2.784 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.254 -3.813 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.674 -2.391 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.778 -4.107 -11.224 1.00 0.00 H new ATOM 359 N PRO A 28 -7.618 -6.856 -7.921 1.00 0.00 N ATOM 360 CA PRO A 28 -6.662 -7.637 -7.155 1.00 0.00 C ATOM 361 C PRO A 28 -5.227 -7.212 -7.473 1.00 0.00 C ATOM 362 O PRO A 28 -4.879 -7.010 -8.635 1.00 0.00 O ATOM 363 CB PRO A 28 -6.948 -9.083 -7.524 1.00 0.00 C ATOM 364 CG PRO A 28 -7.735 -9.033 -8.824 1.00 0.00 C ATOM 365 CD PRO A 28 -8.207 -7.603 -9.028 1.00 0.00 C ATOM 0 HA PRO A 28 -6.763 -7.487 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.022 -9.645 -7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.519 -9.581 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.112 -9.352 -9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.585 -9.713 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.877 -7.211 -9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.295 -7.539 -9.014 1.00 0.00 H new ATOM 373 N TRP A 29 -4.432 -7.088 -6.420 1.00 0.00 N ATOM 374 CA TRP A 29 -3.043 -6.691 -6.572 1.00 0.00 C ATOM 375 C TRP A 29 -3.014 -5.205 -6.936 1.00 0.00 C ATOM 376 O TRP A 29 -2.271 -4.795 -7.826 1.00 0.00 O ATOM 377 CB TRP A 29 -2.331 -7.572 -7.600 1.00 0.00 C ATOM 378 CG TRP A 29 -2.477 -9.073 -7.342 1.00 0.00 C ATOM 379 CD1 TRP A 29 -2.862 -10.025 -8.203 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.225 -9.760 -6.098 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.875 -11.270 -7.608 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.476 -11.103 -6.287 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.798 -9.262 -4.854 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.329 -12.060 -5.276 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.656 -10.231 -3.854 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.905 -11.588 -4.028 1.00 0.00 C ATOM 0 H TRP A 29 -4.724 -7.256 -5.457 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.497 -6.832 -5.639 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.723 -7.345 -8.591 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.271 -7.317 -7.610 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.129 -9.841 -9.233 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.130 -12.150 -8.055 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.596 -8.215 -4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.532 -13.107 -5.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.330 -9.902 -2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.772 -12.274 -3.205 1.00 0.00 H new ATOM 397 N THR A 30 -3.832 -4.439 -6.229 1.00 0.00 N ATOM 398 CA THR A 30 -3.909 -3.008 -6.466 1.00 0.00 C ATOM 399 C THR A 30 -3.300 -2.239 -5.292 1.00 0.00 C ATOM 400 O THR A 30 -3.793 -2.322 -4.168 1.00 0.00 O ATOM 401 CB THR A 30 -5.372 -2.651 -6.733 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.744 -3.497 -7.817 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.538 -1.235 -7.291 1.00 0.00 C ATOM 0 H THR A 30 -4.447 -4.783 -5.492 1.00 0.00 H new ATOM 0 HA THR A 30 -3.325 -2.720 -7.340 1.00 0.00 H new ATOM 0 HB THR A 30 -5.942 -2.746 -5.809 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.986 -4.382 -7.473 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.595 -1.033 -7.462 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.142 -0.514 -6.576 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.995 -1.149 -8.232 1.00 0.00 H new ATOM 411 N PHE A 31 -2.237 -1.508 -5.592 1.00 0.00 N ATOM 412 CA PHE A 31 -1.555 -0.725 -4.575 1.00 0.00 C ATOM 413 C PHE A 31 -1.830 0.769 -4.758 1.00 0.00 C ATOM 414 O PHE A 31 -2.361 1.185 -5.786 1.00 0.00 O ATOM 415 CB PHE A 31 -0.056 -0.980 -4.744 1.00 0.00 C ATOM 416 CG PHE A 31 0.614 -0.082 -5.786 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.445 -0.336 -7.111 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.379 0.969 -5.386 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.068 0.497 -8.078 1.00 0.00 C ATOM 420 CE2 PHE A 31 2.001 1.802 -6.353 1.00 0.00 C ATOM 421 CZ PHE A 31 1.832 1.549 -7.679 1.00 0.00 C ATOM 0 H PHE A 31 -1.831 -1.441 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.907 -1.014 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.437 -0.835 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.095 -2.022 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.163 -1.171 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.513 1.170 -4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.935 0.295 -9.131 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.608 2.637 -6.036 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.304 2.183 -8.414 1.00 0.00 H new ATOM 431 N LEU A 32 -1.456 1.536 -3.744 1.00 0.00 N ATOM 432 CA LEU A 32 -1.656 2.974 -3.779 1.00 0.00 C ATOM 433 C LEU A 32 -0.848 3.625 -2.655 1.00 0.00 C ATOM 434 O LEU A 32 -0.663 3.030 -1.594 1.00 0.00 O ATOM 435 CB LEU A 32 -3.148 3.310 -3.738 1.00 0.00 C ATOM 436 CG LEU A 32 -3.816 3.225 -2.364 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.334 4.352 -1.449 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.341 3.206 -2.496 1.00 0.00 C ATOM 0 H LEU A 32 -1.015 1.188 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.286 3.386 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.284 4.320 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.671 2.636 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.521 2.285 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.824 4.268 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.255 4.277 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.579 5.315 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.791 3.145 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.675 4.118 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.644 2.341 -3.086 1.00 0.00 H new ATOM 450 N VAL A 33 -0.388 4.838 -2.925 1.00 0.00 N ATOM 451 CA VAL A 33 0.396 5.576 -1.950 1.00 0.00 C ATOM 452 C VAL A 33 -0.476 6.663 -1.318 1.00 0.00 C ATOM 453 O VAL A 33 -1.206 7.363 -2.019 1.00 0.00 O ATOM 454 CB VAL A 33 1.662 6.131 -2.607 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.659 6.616 -1.552 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.301 5.091 -3.529 1.00 0.00 C ATOM 0 H VAL A 33 -0.544 5.328 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 33 0.726 4.916 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 33 1.376 6.988 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.550 7.006 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.201 7.404 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.937 5.784 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.199 5.510 -3.983 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.566 4.206 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.594 4.815 -4.311 1.00 0.00 H new ATOM 466 N ARG A 34 -0.370 6.771 -0.002 1.00 0.00 N ATOM 467 CA ARG A 34 -1.140 7.762 0.731 1.00 0.00 C ATOM 468 C ARG A 34 -0.340 8.275 1.930 1.00 0.00 C ATOM 469 O ARG A 34 0.665 7.677 2.312 1.00 0.00 O ATOM 470 CB ARG A 34 -2.464 7.175 1.225 1.00 0.00 C ATOM 471 CG ARG A 34 -2.234 5.874 1.996 1.00 0.00 C ATOM 472 CD ARG A 34 -3.548 5.115 2.196 1.00 0.00 C ATOM 473 NE ARG A 34 -3.465 4.269 3.407 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.484 4.746 4.659 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.584 6.065 4.872 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.403 3.904 5.699 1.00 0.00 N ATOM 0 H ARG A 34 0.237 6.189 0.576 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.352 8.587 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.969 7.897 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.122 6.987 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.526 5.246 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.787 6.096 2.965 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.374 5.820 2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.756 4.496 1.323 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.389 3.260 3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.646 6.706 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.598 6.428 5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.327 2.900 5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.417 4.268 6.652 1.00 0.00 H new ATOM 490 N GLU A 35 -0.815 9.378 2.490 1.00 0.00 N ATOM 491 CA GLU A 35 -0.156 9.978 3.637 1.00 0.00 C ATOM 492 C GLU A 35 -0.699 9.377 4.936 1.00 0.00 C ATOM 493 O GLU A 35 -1.877 9.037 5.021 1.00 0.00 O ATOM 494 CB GLU A 35 -0.318 11.500 3.628 1.00 0.00 C ATOM 495 CG GLU A 35 0.973 12.185 3.176 1.00 0.00 C ATOM 496 CD GLU A 35 0.968 13.668 3.554 1.00 0.00 C ATOM 497 OE1 GLU A 35 1.161 13.948 4.757 1.00 0.00 O ATOM 498 OE2 GLU A 35 0.772 14.488 2.631 1.00 0.00 O ATOM 0 H GLU A 35 -1.648 9.872 2.170 1.00 0.00 H new ATOM 0 HA GLU A 35 0.910 9.758 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.134 11.779 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.588 11.847 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.830 11.692 3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.085 12.081 2.097 1.00 0.00 H new ATOM 505 N SER A 36 0.188 9.265 5.914 1.00 0.00 N ATOM 506 CA SER A 36 -0.187 8.712 7.204 1.00 0.00 C ATOM 507 C SER A 36 -0.754 9.813 8.102 1.00 0.00 C ATOM 508 O SER A 36 -0.121 10.851 8.292 1.00 0.00 O ATOM 509 CB SER A 36 1.006 8.036 7.882 1.00 0.00 C ATOM 510 OG SER A 36 0.836 6.625 7.981 1.00 0.00 O ATOM 0 H SER A 36 1.165 9.548 5.839 1.00 0.00 H new ATOM 0 HA SER A 36 -0.954 7.955 7.040 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.914 8.253 7.319 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.142 8.455 8.879 1.00 0.00 H new ATOM 0 HG SER A 36 1.620 6.231 8.418 1.00 0.00 H new ATOM 516 N LEU A 37 -1.940 9.550 8.630 1.00 0.00 N ATOM 517 CA LEU A 37 -2.599 10.507 9.504 1.00 0.00 C ATOM 518 C LEU A 37 -2.039 10.367 10.921 1.00 0.00 C ATOM 519 O LEU A 37 -1.697 11.362 11.557 1.00 0.00 O ATOM 520 CB LEU A 37 -4.118 10.346 9.425 1.00 0.00 C ATOM 521 CG LEU A 37 -4.776 10.814 8.125 1.00 0.00 C ATOM 522 CD1 LEU A 37 -6.266 10.470 8.109 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.530 12.306 7.892 1.00 0.00 C ATOM 0 H LEU A 37 -2.462 8.688 8.470 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.392 11.526 9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.360 9.294 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.565 10.895 10.253 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.313 10.278 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.709 10.814 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.391 9.391 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.762 10.960 8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.008 12.613 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.948 12.877 8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.458 12.492 7.827 1.00 0.00 H new ATOM 535 N SER A 38 -1.962 9.124 11.372 1.00 0.00 N ATOM 536 CA SER A 38 -1.449 8.841 12.702 1.00 0.00 C ATOM 537 C SER A 38 0.034 9.210 12.780 1.00 0.00 C ATOM 538 O SER A 38 0.587 9.348 13.871 1.00 0.00 O ATOM 539 CB SER A 38 -1.650 7.370 13.069 1.00 0.00 C ATOM 540 OG SER A 38 -2.700 7.194 14.016 1.00 0.00 O ATOM 0 H SER A 38 -2.246 8.301 10.840 1.00 0.00 H new ATOM 0 HA SER A 38 -2.006 9.445 13.419 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.875 6.799 12.168 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.723 6.968 13.477 1.00 0.00 H new ATOM 0 HG SER A 38 -2.798 6.241 14.223 1.00 0.00 H new ATOM 546 N GLN A 39 0.636 9.360 11.610 1.00 0.00 N ATOM 547 CA GLN A 39 2.044 9.711 11.532 1.00 0.00 C ATOM 548 C GLN A 39 2.272 10.752 10.435 1.00 0.00 C ATOM 549 O GLN A 39 2.221 10.431 9.248 1.00 0.00 O ATOM 550 CB GLN A 39 2.906 8.469 11.297 1.00 0.00 C ATOM 551 CG GLN A 39 3.195 7.744 12.613 1.00 0.00 C ATOM 552 CD GLN A 39 3.990 8.637 13.567 1.00 0.00 C ATOM 553 OE1 GLN A 39 4.341 9.764 13.257 1.00 0.00 O ATOM 554 NE2 GLN A 39 4.254 8.073 14.742 1.00 0.00 N ATOM 0 H GLN A 39 0.175 9.245 10.708 1.00 0.00 H new ATOM 0 HA GLN A 39 2.343 10.146 12.486 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.397 7.793 10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.844 8.758 10.823 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.257 7.448 13.083 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.754 6.830 12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.931 7.125 14.937 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.780 8.588 15.448 1.00 0.00 H new ATOM 563 N PRO A 40 2.525 12.012 10.881 1.00 0.00 N ATOM 564 CA PRO A 40 2.761 13.102 9.951 1.00 0.00 C ATOM 565 C PRO A 40 4.157 13.004 9.333 1.00 0.00 C ATOM 566 O PRO A 40 5.157 13.239 10.010 1.00 0.00 O ATOM 567 CB PRO A 40 2.561 14.368 10.769 1.00 0.00 C ATOM 568 CG PRO A 40 2.679 13.946 12.224 1.00 0.00 C ATOM 569 CD PRO A 40 2.593 12.429 12.278 1.00 0.00 C ATOM 0 HA PRO A 40 2.081 13.082 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.311 15.118 10.518 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.586 14.812 10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.623 14.290 12.646 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.882 14.395 12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.462 12.001 12.777 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.713 12.102 12.832 1.00 0.00 H new ATOM 577 N GLY A 41 4.181 12.656 8.055 1.00 0.00 N ATOM 578 CA GLY A 41 5.438 12.523 7.338 1.00 0.00 C ATOM 579 C GLY A 41 5.573 11.130 6.720 1.00 0.00 C ATOM 580 O GLY A 41 6.096 10.985 5.616 1.00 0.00 O ATOM 0 H GLY A 41 3.349 12.462 7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.496 13.279 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.270 12.705 8.019 1.00 0.00 H new ATOM 584 N ASP A 42 5.091 10.141 7.458 1.00 0.00 N ATOM 585 CA ASP A 42 5.151 8.765 6.996 1.00 0.00 C ATOM 586 C ASP A 42 4.074 8.541 5.934 1.00 0.00 C ATOM 587 O ASP A 42 3.203 9.388 5.739 1.00 0.00 O ATOM 588 CB ASP A 42 4.894 7.787 8.144 1.00 0.00 C ATOM 589 CG ASP A 42 6.145 7.120 8.719 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.243 7.447 8.218 1.00 0.00 O ATOM 591 OD2 ASP A 42 5.976 6.298 9.645 1.00 0.00 O ATOM 0 H ASP A 42 4.657 10.265 8.373 1.00 0.00 H new ATOM 0 HA ASP A 42 6.147 8.589 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.383 8.319 8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.215 7.010 7.794 1.00 0.00 H new ATOM 596 N PHE A 43 4.167 7.395 5.274 1.00 0.00 N ATOM 597 CA PHE A 43 3.211 7.049 4.236 1.00 0.00 C ATOM 598 C PHE A 43 2.763 5.592 4.367 1.00 0.00 C ATOM 599 O PHE A 43 3.471 4.771 4.950 1.00 0.00 O ATOM 600 CB PHE A 43 3.921 7.234 2.894 1.00 0.00 C ATOM 601 CG PHE A 43 4.331 8.679 2.601 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.388 9.597 2.259 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.638 9.044 2.681 1.00 0.00 C ATOM 604 CE1 PHE A 43 3.768 10.938 1.987 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.019 10.385 2.408 1.00 0.00 C ATOM 606 CZ PHE A 43 5.075 11.303 2.067 1.00 0.00 C ATOM 0 H PHE A 43 4.890 6.695 5.438 1.00 0.00 H new ATOM 0 HA PHE A 43 2.327 7.681 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.810 6.604 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.265 6.884 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.350 9.306 2.194 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.387 8.314 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.019 11.668 1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.057 10.675 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.364 12.323 1.860 1.00 0.00 H new ATOM 616 N VAL A 44 1.591 5.314 3.815 1.00 0.00 N ATOM 617 CA VAL A 44 1.041 3.970 3.862 1.00 0.00 C ATOM 618 C VAL A 44 0.886 3.437 2.436 1.00 0.00 C ATOM 619 O VAL A 44 0.574 4.193 1.517 1.00 0.00 O ATOM 620 CB VAL A 44 -0.272 3.970 4.647 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.872 2.564 4.710 1.00 0.00 C ATOM 622 CG2 VAL A 44 -0.072 4.544 6.051 1.00 0.00 C ATOM 0 H VAL A 44 1.007 5.997 3.333 1.00 0.00 H new ATOM 0 HA VAL A 44 1.719 3.297 4.388 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.977 4.613 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.805 2.591 5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.069 2.207 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.170 1.891 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.021 4.532 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.657 3.940 6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.290 5.569 5.977 1.00 0.00 H new ATOM 632 N LEU A 45 1.111 2.139 2.297 1.00 0.00 N ATOM 633 CA LEU A 45 1.000 1.495 0.998 1.00 0.00 C ATOM 634 C LEU A 45 -0.015 0.354 1.085 1.00 0.00 C ATOM 635 O LEU A 45 0.343 -0.777 1.409 1.00 0.00 O ATOM 636 CB LEU A 45 2.378 1.056 0.499 1.00 0.00 C ATOM 637 CG LEU A 45 2.401 0.317 -0.841 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.817 1.186 -1.956 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.813 -0.170 -1.173 1.00 0.00 C ATOM 0 H LEU A 45 1.370 1.515 3.062 1.00 0.00 H new ATOM 0 HA LEU A 45 0.626 2.198 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.011 1.940 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.828 0.412 1.255 1.00 0.00 H new ATOM 0 HG LEU A 45 1.767 -0.566 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.845 0.637 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.785 1.441 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.404 2.099 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.802 -0.692 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.488 0.684 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.156 -0.850 -0.393 1.00 0.00 H new ATOM 651 N SER A 46 -1.262 0.691 0.789 1.00 0.00 N ATOM 652 CA SER A 46 -2.332 -0.292 0.829 1.00 0.00 C ATOM 653 C SER A 46 -2.405 -1.040 -0.504 1.00 0.00 C ATOM 654 O SER A 46 -2.616 -0.431 -1.551 1.00 0.00 O ATOM 655 CB SER A 46 -3.676 0.370 1.140 1.00 0.00 C ATOM 656 OG SER A 46 -4.584 -0.534 1.764 1.00 0.00 O ATOM 0 H SER A 46 -1.555 1.630 0.521 1.00 0.00 H new ATOM 0 HA SER A 46 -2.114 -1.003 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.515 1.229 1.791 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.117 0.747 0.217 1.00 0.00 H new ATOM 0 HG SER A 46 -5.429 -0.074 1.948 1.00 0.00 H new ATOM 662 N VAL A 47 -2.226 -2.350 -0.420 1.00 0.00 N ATOM 663 CA VAL A 47 -2.269 -3.188 -1.607 1.00 0.00 C ATOM 664 C VAL A 47 -3.405 -4.204 -1.467 1.00 0.00 C ATOM 665 O VAL A 47 -3.501 -4.899 -0.457 1.00 0.00 O ATOM 666 CB VAL A 47 -0.906 -3.844 -1.834 1.00 0.00 C ATOM 667 CG1 VAL A 47 -0.991 -4.927 -2.911 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.153 -2.799 -2.190 1.00 0.00 C ATOM 0 H VAL A 47 -2.051 -2.852 0.451 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.477 -2.587 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.605 -4.322 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.008 -5.377 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.700 -5.694 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.325 -4.482 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.113 -3.292 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.141 -2.279 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.243 -2.080 -1.376 1.00 0.00 H new ATOM 678 N LEU A 48 -4.238 -4.257 -2.497 1.00 0.00 N ATOM 679 CA LEU A 48 -5.364 -5.176 -2.502 1.00 0.00 C ATOM 680 C LEU A 48 -4.877 -6.570 -2.902 1.00 0.00 C ATOM 681 O LEU A 48 -4.259 -6.737 -3.952 1.00 0.00 O ATOM 682 CB LEU A 48 -6.489 -4.639 -3.389 1.00 0.00 C ATOM 683 CG LEU A 48 -7.896 -5.151 -3.071 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.308 -4.774 -1.647 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.906 -4.659 -4.110 1.00 0.00 C ATOM 0 H LEU A 48 -4.156 -3.679 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.791 -5.262 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.494 -3.551 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.259 -4.888 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.884 -6.240 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.311 -5.150 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.608 -5.214 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.299 -3.689 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.898 -5.037 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.923 -3.569 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.618 -5.020 -5.097 1.00 0.00 H new ATOM 697 N SER A 49 -5.174 -7.534 -2.044 1.00 0.00 N ATOM 698 CA SER A 49 -4.774 -8.909 -2.295 1.00 0.00 C ATOM 699 C SER A 49 -5.885 -9.648 -3.045 1.00 0.00 C ATOM 700 O SER A 49 -7.036 -9.216 -3.040 1.00 0.00 O ATOM 701 CB SER A 49 -4.442 -9.633 -0.989 1.00 0.00 C ATOM 702 OG SER A 49 -5.432 -10.601 -0.649 1.00 0.00 O ATOM 0 H SER A 49 -5.687 -7.391 -1.174 1.00 0.00 H new ATOM 0 HA SER A 49 -3.874 -8.897 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.473 -10.123 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.355 -8.905 -0.183 1.00 0.00 H new ATOM 0 HG SER A 49 -5.593 -10.579 0.317 1.00 0.00 H new ATOM 708 N ASP A 50 -5.499 -10.750 -3.671 1.00 0.00 N ATOM 709 CA ASP A 50 -6.448 -11.554 -4.424 1.00 0.00 C ATOM 710 C ASP A 50 -7.045 -12.623 -3.506 1.00 0.00 C ATOM 711 O ASP A 50 -7.580 -13.624 -3.980 1.00 0.00 O ATOM 712 CB ASP A 50 -5.763 -12.263 -5.594 1.00 0.00 C ATOM 713 CG ASP A 50 -5.067 -13.577 -5.235 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.622 -13.685 -4.072 1.00 0.00 O ATOM 715 OD2 ASP A 50 -4.995 -14.444 -6.132 1.00 0.00 O ATOM 0 H ASP A 50 -4.543 -11.105 -3.673 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.222 -10.890 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.508 -12.462 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.027 -11.586 -6.029 1.00 0.00 H new ATOM 720 N GLN A 51 -6.932 -12.375 -2.210 1.00 0.00 N ATOM 721 CA GLN A 51 -7.453 -13.304 -1.222 1.00 0.00 C ATOM 722 C GLN A 51 -8.669 -12.701 -0.516 1.00 0.00 C ATOM 723 O GLN A 51 -8.542 -11.728 0.226 1.00 0.00 O ATOM 724 CB GLN A 51 -6.372 -13.696 -0.213 1.00 0.00 C ATOM 725 CG GLN A 51 -5.281 -14.538 -0.878 1.00 0.00 C ATOM 726 CD GLN A 51 -5.492 -16.027 -0.598 1.00 0.00 C ATOM 727 OE1 GLN A 51 -6.115 -16.746 -1.362 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.939 -16.449 0.535 1.00 0.00 N ATOM 0 H GLN A 51 -6.487 -11.544 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.769 -14.211 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.931 -12.798 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.821 -14.257 0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.286 -14.362 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.303 -14.230 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.431 -15.794 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.023 -17.428 0.810 1.00 0.00 H new ATOM 737 N PRO A 52 -9.852 -13.319 -0.778 1.00 0.00 N ATOM 738 CA PRO A 52 -11.090 -12.854 -0.176 1.00 0.00 C ATOM 739 C PRO A 52 -11.167 -13.255 1.298 1.00 0.00 C ATOM 740 O PRO A 52 -10.289 -13.954 1.802 1.00 0.00 O ATOM 741 CB PRO A 52 -12.194 -13.472 -1.019 1.00 0.00 C ATOM 742 CG PRO A 52 -11.549 -14.626 -1.770 1.00 0.00 C ATOM 743 CD PRO A 52 -10.041 -14.474 -1.652 1.00 0.00 C ATOM 0 HA PRO A 52 -11.173 -11.767 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.014 -13.823 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.613 -12.741 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.870 -15.580 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.853 -14.618 -2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.585 -15.369 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.582 -14.312 -2.627 1.00 0.00 H new ATOM 751 N LYS A 53 -12.227 -12.796 1.948 1.00 0.00 N ATOM 752 CA LYS A 53 -12.431 -13.099 3.355 1.00 0.00 C ATOM 753 C LYS A 53 -13.350 -14.315 3.482 1.00 0.00 C ATOM 754 O LYS A 53 -13.089 -15.215 4.279 1.00 0.00 O ATOM 755 CB LYS A 53 -12.938 -11.863 4.100 1.00 0.00 C ATOM 756 CG LYS A 53 -11.870 -10.768 4.137 1.00 0.00 C ATOM 757 CD LYS A 53 -12.504 -9.390 4.336 1.00 0.00 C ATOM 758 CE LYS A 53 -12.560 -9.021 5.820 1.00 0.00 C ATOM 759 NZ LYS A 53 -13.931 -8.617 6.202 1.00 0.00 N ATOM 0 H LYS A 53 -12.953 -12.217 1.527 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.486 -13.363 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.836 -11.483 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.219 -12.137 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.166 -10.969 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.300 -10.779 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.930 -8.640 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.511 -9.385 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.243 -9.871 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.864 -8.207 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.951 -8.370 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.220 -7.792 5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.587 -9.404 6.025 1.00 0.00 H new ATOM 773 N ALA A 54 -14.409 -14.302 2.685 1.00 0.00 N ATOM 774 CA ALA A 54 -15.369 -15.393 2.699 1.00 0.00 C ATOM 775 C ALA A 54 -15.334 -16.115 1.350 1.00 0.00 C ATOM 776 O ALA A 54 -15.655 -17.299 1.268 1.00 0.00 O ATOM 777 CB ALA A 54 -16.758 -14.846 3.031 1.00 0.00 C ATOM 0 H ALA A 54 -14.623 -13.554 2.026 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.112 -16.120 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.478 -15.664 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.736 -14.369 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.051 -14.115 2.278 1.00 0.00 H new ATOM 783 N GLY A 55 -14.940 -15.371 0.327 1.00 0.00 N ATOM 784 CA GLY A 55 -14.859 -15.925 -1.014 1.00 0.00 C ATOM 785 C GLY A 55 -15.622 -15.054 -2.014 1.00 0.00 C ATOM 786 O GLY A 55 -15.428 -13.841 -2.061 1.00 0.00 O ATOM 0 H GLY A 55 -14.673 -14.389 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.815 -16.003 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.269 -16.935 -1.019 1.00 0.00 H new ATOM 790 N PRO A 56 -16.497 -15.726 -2.809 1.00 0.00 N ATOM 791 CA PRO A 56 -17.291 -15.027 -3.806 1.00 0.00 C ATOM 792 C PRO A 56 -18.432 -14.248 -3.150 1.00 0.00 C ATOM 793 O PRO A 56 -19.392 -14.840 -2.659 1.00 0.00 O ATOM 794 CB PRO A 56 -17.780 -16.112 -4.751 1.00 0.00 C ATOM 795 CG PRO A 56 -17.632 -17.422 -3.994 1.00 0.00 C ATOM 796 CD PRO A 56 -16.754 -17.163 -2.781 1.00 0.00 C ATOM 0 HA PRO A 56 -16.718 -14.274 -4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.818 -15.942 -5.038 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.193 -16.123 -5.670 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.608 -17.797 -3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.185 -18.184 -4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.255 -17.458 -1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.826 -17.732 -2.835 1.00 0.00 H new ATOM 804 N GLY A 57 -18.290 -12.930 -3.162 1.00 0.00 N ATOM 805 CA GLY A 57 -19.297 -12.063 -2.574 1.00 0.00 C ATOM 806 C GLY A 57 -18.724 -11.279 -1.392 1.00 0.00 C ATOM 807 O GLY A 57 -19.406 -10.436 -0.812 1.00 0.00 O ATOM 0 H GLY A 57 -17.493 -12.442 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.670 -11.370 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.146 -12.660 -2.242 1.00 0.00 H new ATOM 811 N SER A 58 -17.475 -11.586 -1.070 1.00 0.00 N ATOM 812 CA SER A 58 -16.802 -10.920 0.032 1.00 0.00 C ATOM 813 C SER A 58 -15.689 -10.017 -0.503 1.00 0.00 C ATOM 814 O SER A 58 -15.150 -10.263 -1.581 1.00 0.00 O ATOM 815 CB SER A 58 -16.231 -11.936 1.023 1.00 0.00 C ATOM 816 OG SER A 58 -15.373 -12.879 0.386 1.00 0.00 O ATOM 0 H SER A 58 -16.912 -12.287 -1.553 1.00 0.00 H new ATOM 0 HA SER A 58 -17.534 -10.309 0.560 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.678 -11.411 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.049 -12.464 1.513 1.00 0.00 H new ATOM 0 HG SER A 58 -15.502 -12.835 -0.584 1.00 0.00 H new ATOM 822 N PRO A 59 -15.370 -8.964 0.296 1.00 0.00 N ATOM 823 CA PRO A 59 -14.330 -8.023 -0.087 1.00 0.00 C ATOM 824 C PRO A 59 -12.941 -8.634 0.104 1.00 0.00 C ATOM 825 O PRO A 59 -12.698 -9.341 1.081 1.00 0.00 O ATOM 826 CB PRO A 59 -14.567 -6.800 0.785 1.00 0.00 C ATOM 827 CG PRO A 59 -15.432 -7.274 1.941 1.00 0.00 C ATOM 828 CD PRO A 59 -15.987 -8.642 1.579 1.00 0.00 C ATOM 0 HA PRO A 59 -14.371 -7.757 -1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.624 -6.389 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.065 -6.010 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.846 -7.331 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.243 -6.569 2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.736 -9.384 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.074 -8.621 1.501 1.00 0.00 H new ATOM 836 N LEU A 60 -12.064 -8.339 -0.844 1.00 0.00 N ATOM 837 CA LEU A 60 -10.705 -8.850 -0.793 1.00 0.00 C ATOM 838 C LEU A 60 -9.926 -8.108 0.296 1.00 0.00 C ATOM 839 O LEU A 60 -9.846 -6.881 0.279 1.00 0.00 O ATOM 840 CB LEU A 60 -10.052 -8.776 -2.174 1.00 0.00 C ATOM 841 CG LEU A 60 -10.622 -9.718 -3.237 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.029 -9.414 -4.614 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.421 -11.181 -2.836 1.00 0.00 C ATOM 0 H LEU A 60 -12.268 -7.752 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.705 -9.906 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.138 -7.753 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.988 -8.987 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.696 -9.547 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.451 -10.098 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.266 -8.388 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.947 -9.540 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.835 -11.830 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.356 -11.384 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.929 -11.372 -1.891 1.00 0.00 H new ATOM 855 N ARG A 61 -9.373 -8.884 1.216 1.00 0.00 N ATOM 856 CA ARG A 61 -8.603 -8.316 2.310 1.00 0.00 C ATOM 857 C ARG A 61 -7.662 -7.228 1.788 1.00 0.00 C ATOM 858 O ARG A 61 -7.363 -7.181 0.596 1.00 0.00 O ATOM 859 CB ARG A 61 -7.782 -9.392 3.023 1.00 0.00 C ATOM 860 CG ARG A 61 -8.394 -9.737 4.382 1.00 0.00 C ATOM 861 CD ARG A 61 -7.754 -10.998 4.967 1.00 0.00 C ATOM 862 NE ARG A 61 -7.214 -10.714 6.315 1.00 0.00 N ATOM 863 CZ ARG A 61 -6.035 -10.118 6.541 1.00 0.00 C ATOM 864 NH1 ARG A 61 -5.266 -9.741 5.510 1.00 0.00 N ATOM 865 NH2 ARG A 61 -5.625 -9.900 7.798 1.00 0.00 N ATOM 0 H ARG A 61 -9.443 -9.902 1.227 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.307 -7.882 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.734 -10.288 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.758 -9.043 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.256 -8.902 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.468 -9.887 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.493 -11.798 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.955 -11.347 4.313 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.774 -10.989 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.578 -9.908 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.369 -9.287 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.210 -10.188 8.582 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.728 -9.446 7.970 1.00 0.00 H new ATOM 879 N VAL A 62 -7.222 -6.381 2.707 1.00 0.00 N ATOM 880 CA VAL A 62 -6.321 -5.297 2.354 1.00 0.00 C ATOM 881 C VAL A 62 -5.035 -5.421 3.174 1.00 0.00 C ATOM 882 O VAL A 62 -5.040 -6.001 4.259 1.00 0.00 O ATOM 883 CB VAL A 62 -7.023 -3.951 2.544 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.112 -2.794 2.126 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.346 -3.910 1.778 1.00 0.00 C ATOM 0 H VAL A 62 -7.472 -6.423 3.695 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.043 -5.358 1.302 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.246 -3.836 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.635 -1.849 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.207 -2.805 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.844 -2.903 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.825 -2.943 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.156 -4.058 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.002 -4.701 2.142 1.00 0.00 H new ATOM 895 N THR A 63 -3.964 -4.867 2.624 1.00 0.00 N ATOM 896 CA THR A 63 -2.674 -4.909 3.291 1.00 0.00 C ATOM 897 C THR A 63 -2.023 -3.524 3.280 1.00 0.00 C ATOM 898 O THR A 63 -1.615 -3.034 2.228 1.00 0.00 O ATOM 899 CB THR A 63 -1.825 -5.985 2.611 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.237 -7.198 3.236 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.341 -5.869 2.964 1.00 0.00 C ATOM 0 H THR A 63 -3.964 -4.387 1.724 1.00 0.00 H new ATOM 0 HA THR A 63 -2.781 -5.175 4.343 1.00 0.00 H new ATOM 0 HB THR A 63 -1.947 -5.915 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.080 -7.950 2.627 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.216 -6.656 2.456 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.033 -4.896 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.214 -5.973 4.042 1.00 0.00 H new ATOM 909 N HIS A 64 -1.947 -2.932 4.463 1.00 0.00 N ATOM 910 CA HIS A 64 -1.352 -1.614 4.603 1.00 0.00 C ATOM 911 C HIS A 64 0.151 -1.752 4.853 1.00 0.00 C ATOM 912 O HIS A 64 0.568 -2.200 5.920 1.00 0.00 O ATOM 913 CB HIS A 64 -2.063 -0.810 5.694 1.00 0.00 C ATOM 914 CG HIS A 64 -3.539 -0.608 5.445 1.00 0.00 C ATOM 915 ND1 HIS A 64 -4.033 0.423 4.665 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.621 -1.316 5.879 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.355 0.331 4.639 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.717 -0.747 5.393 1.00 0.00 N ATOM 0 H HIS A 64 -2.288 -3.341 5.333 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.481 -1.054 3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.932 -1.319 6.649 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.583 0.165 5.784 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.475 1.133 4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.591 -2.191 6.511 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.027 0.993 4.113 1.00 0.00 H new ATOM 926 N ILE A 65 0.923 -1.359 3.851 1.00 0.00 N ATOM 927 CA ILE A 65 2.371 -1.433 3.949 1.00 0.00 C ATOM 928 C ILE A 65 2.927 -0.049 4.290 1.00 0.00 C ATOM 929 O ILE A 65 3.050 0.807 3.415 1.00 0.00 O ATOM 930 CB ILE A 65 2.964 -2.037 2.674 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.493 -3.480 2.480 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.490 -1.926 2.673 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.533 -3.589 1.294 1.00 0.00 C ATOM 0 H ILE A 65 0.573 -0.988 2.967 1.00 0.00 H new ATOM 0 HA ILE A 65 2.664 -2.102 4.758 1.00 0.00 H new ATOM 0 HB ILE A 65 2.599 -1.463 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.354 -4.128 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.998 -3.830 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.886 -2.363 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.778 -0.876 2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.894 -2.460 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.214 -4.625 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.662 -2.958 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.038 -3.262 0.385 1.00 0.00 H new ATOM 945 N LYS A 66 3.248 0.127 5.563 1.00 0.00 N ATOM 946 CA LYS A 66 3.788 1.393 6.031 1.00 0.00 C ATOM 947 C LYS A 66 5.132 1.653 5.347 1.00 0.00 C ATOM 948 O LYS A 66 5.790 0.720 4.889 1.00 0.00 O ATOM 949 CB LYS A 66 3.862 1.412 7.559 1.00 0.00 C ATOM 950 CG LYS A 66 2.463 1.485 8.174 1.00 0.00 C ATOM 951 CD LYS A 66 2.475 0.993 9.623 1.00 0.00 C ATOM 952 CE LYS A 66 1.073 1.052 10.233 1.00 0.00 C ATOM 953 NZ LYS A 66 0.992 0.183 11.429 1.00 0.00 N ATOM 0 H LYS A 66 3.145 -0.586 6.285 1.00 0.00 H new ATOM 0 HA LYS A 66 3.126 2.214 5.757 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.373 0.517 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.453 2.267 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.099 2.512 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.772 0.881 7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.849 -0.030 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.158 1.604 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.831 2.079 10.505 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.335 0.736 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.034 0.234 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.202 -0.799 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.683 0.503 12.138 1.00 0.00 H new ATOM 967 N VAL A 67 5.499 2.925 5.299 1.00 0.00 N ATOM 968 CA VAL A 67 6.752 3.319 4.679 1.00 0.00 C ATOM 969 C VAL A 67 7.518 4.242 5.629 1.00 0.00 C ATOM 970 O VAL A 67 7.061 5.343 5.933 1.00 0.00 O ATOM 971 CB VAL A 67 6.483 3.956 3.314 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.725 4.682 2.793 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.996 2.912 2.308 1.00 0.00 C ATOM 0 H VAL A 67 4.950 3.696 5.679 1.00 0.00 H new ATOM 0 HA VAL A 67 7.379 2.446 4.497 1.00 0.00 H new ATOM 0 HB VAL A 67 5.691 4.695 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.506 5.126 1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.009 5.466 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.546 3.972 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.812 3.391 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.756 2.139 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.073 2.460 2.671 1.00 0.00 H new ATOM 983 N MET A 68 8.670 3.759 6.071 1.00 0.00 N ATOM 984 CA MET A 68 9.504 4.527 6.980 1.00 0.00 C ATOM 985 C MET A 68 10.424 5.477 6.211 1.00 0.00 C ATOM 986 O MET A 68 11.271 5.034 5.436 1.00 0.00 O ATOM 987 CB MET A 68 10.348 3.573 7.828 1.00 0.00 C ATOM 988 CG MET A 68 9.475 2.803 8.820 1.00 0.00 C ATOM 989 SD MET A 68 10.025 1.108 8.931 1.00 0.00 S ATOM 990 CE MET A 68 8.981 0.361 7.691 1.00 0.00 C ATOM 0 H MET A 68 9.045 2.845 5.817 1.00 0.00 H new ATOM 0 HA MET A 68 8.855 5.122 7.623 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.873 2.872 7.179 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.108 4.137 8.369 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.523 3.275 9.802 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.433 2.836 8.502 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.723 -0.653 7.996 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.070 0.950 7.579 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.512 0.330 6.739 1.00 0.00 H new ATOM 1000 N CYS A 69 10.226 6.764 6.451 1.00 0.00 N ATOM 1001 CA CYS A 69 11.028 7.780 5.790 1.00 0.00 C ATOM 1002 C CYS A 69 12.045 8.320 6.797 1.00 0.00 C ATOM 1003 O CYS A 69 11.742 9.234 7.562 1.00 0.00 O ATOM 1004 CB CYS A 69 10.158 8.895 5.205 1.00 0.00 C ATOM 1005 SG CYS A 69 11.155 9.944 4.085 1.00 0.00 S ATOM 0 H CYS A 69 9.522 7.127 7.094 1.00 0.00 H new ATOM 0 HA CYS A 69 11.555 7.338 4.945 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.317 8.464 4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.740 9.501 6.009 1.00 0.00 H new ATOM 0 HG CYS A 69 10.832 9.691 2.851 1.00 0.00 H new ATOM 1011 N GLU A 70 13.232 7.731 6.765 1.00 0.00 N ATOM 1012 CA GLU A 70 14.296 8.141 7.665 1.00 0.00 C ATOM 1013 C GLU A 70 15.576 8.426 6.879 1.00 0.00 C ATOM 1014 O GLU A 70 16.058 7.571 6.138 1.00 0.00 O ATOM 1015 CB GLU A 70 14.539 7.084 8.744 1.00 0.00 C ATOM 1016 CG GLU A 70 14.893 5.733 8.118 1.00 0.00 C ATOM 1017 CD GLU A 70 16.327 5.328 8.464 1.00 0.00 C ATOM 1018 OE1 GLU A 70 17.241 5.835 7.779 1.00 0.00 O ATOM 1019 OE2 GLU A 70 16.477 4.519 9.405 1.00 0.00 O ATOM 0 H GLU A 70 13.480 6.973 6.129 1.00 0.00 H new ATOM 0 HA GLU A 70 13.988 9.059 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.347 7.408 9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.648 6.980 9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.200 4.971 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.778 5.788 7.036 1.00 0.00 H new ATOM 1026 N GLY A 71 16.092 9.633 7.066 1.00 0.00 N ATOM 1027 CA GLY A 71 17.307 10.041 6.383 1.00 0.00 C ATOM 1028 C GLY A 71 17.096 10.088 4.869 1.00 0.00 C ATOM 1029 O GLY A 71 17.939 9.619 4.106 1.00 0.00 O ATOM 0 H GLY A 71 15.690 10.341 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.617 11.023 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.112 9.346 6.620 1.00 0.00 H new ATOM 1033 N GLY A 72 15.966 10.660 4.479 1.00 0.00 N ATOM 1034 CA GLY A 72 15.633 10.774 3.069 1.00 0.00 C ATOM 1035 C GLY A 72 15.576 9.396 2.405 1.00 0.00 C ATOM 1036 O GLY A 72 15.690 9.286 1.186 1.00 0.00 O ATOM 0 H GLY A 72 15.270 11.049 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.671 11.275 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.375 11.394 2.565 1.00 0.00 H new ATOM 1040 N ARG A 73 15.399 8.381 3.238 1.00 0.00 N ATOM 1041 CA ARG A 73 15.325 7.015 2.747 1.00 0.00 C ATOM 1042 C ARG A 73 13.972 6.396 3.104 1.00 0.00 C ATOM 1043 O ARG A 73 13.486 6.559 4.222 1.00 0.00 O ATOM 1044 CB ARG A 73 16.444 6.156 3.340 1.00 0.00 C ATOM 1045 CG ARG A 73 17.814 6.619 2.840 1.00 0.00 C ATOM 1046 CD ARG A 73 18.217 5.866 1.570 1.00 0.00 C ATOM 1047 NE ARG A 73 19.632 5.443 1.660 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.670 6.290 1.673 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.458 7.611 1.601 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.921 5.816 1.757 1.00 0.00 N ATOM 0 H ARG A 73 15.305 8.477 4.249 1.00 0.00 H new ATOM 0 HA ARG A 73 15.440 7.044 1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.412 6.212 4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.288 5.112 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.789 7.690 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.562 6.457 3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.576 4.995 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.074 6.504 0.698 1.00 0.00 H new ATOM 0 HE ARG A 73 19.830 4.444 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.506 7.972 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.248 8.256 1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 73 22.083 4.810 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.711 6.461 1.767 1.00 0.00 H new ATOM 1064 N TYR A 74 13.403 5.697 2.132 1.00 0.00 N ATOM 1065 CA TYR A 74 12.116 5.053 2.330 1.00 0.00 C ATOM 1066 C TYR A 74 12.267 3.531 2.384 1.00 0.00 C ATOM 1067 O TYR A 74 13.016 2.950 1.601 1.00 0.00 O ATOM 1068 CB TYR A 74 11.266 5.425 1.113 1.00 0.00 C ATOM 1069 CG TYR A 74 10.907 6.910 1.036 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.899 7.418 1.829 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.591 7.742 0.173 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.560 8.816 1.757 1.00 0.00 C ATOM 1073 CE2 TYR A 74 11.253 9.140 0.100 1.00 0.00 C ATOM 1074 CZ TYR A 74 10.254 9.608 0.896 1.00 0.00 C ATOM 1075 OH TYR A 74 9.935 10.928 0.828 1.00 0.00 O ATOM 0 H TYR A 74 13.810 5.563 1.206 1.00 0.00 H new ATOM 0 HA TYR A 74 11.666 5.376 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.804 5.144 0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.347 4.840 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.364 6.767 2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.380 7.344 -0.448 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.773 9.226 2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.780 9.802 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 74 10.513 11.371 0.172 1.00 0.00 H new ATOM 1085 N THR A 75 11.544 2.930 3.317 1.00 0.00 N ATOM 1086 CA THR A 75 11.589 1.487 3.485 1.00 0.00 C ATOM 1087 C THR A 75 10.305 0.987 4.150 1.00 0.00 C ATOM 1088 O THR A 75 9.650 1.730 4.880 1.00 0.00 O ATOM 1089 CB THR A 75 12.855 1.141 4.270 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.666 -0.219 4.653 1.00 0.00 O ATOM 1091 CG2 THR A 75 12.943 1.893 5.600 1.00 0.00 C ATOM 0 H THR A 75 10.924 3.416 3.965 1.00 0.00 H new ATOM 0 HA THR A 75 11.638 0.978 2.522 1.00 0.00 H new ATOM 0 HB THR A 75 13.731 1.370 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.537 -0.662 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.860 1.611 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.948 2.967 5.411 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.084 1.638 6.220 1.00 0.00 H new ATOM 1099 N VAL A 76 9.984 -0.269 3.876 1.00 0.00 N ATOM 1100 CA VAL A 76 8.791 -0.876 4.439 1.00 0.00 C ATOM 1101 C VAL A 76 9.168 -1.659 5.698 1.00 0.00 C ATOM 1102 O VAL A 76 8.334 -2.359 6.272 1.00 0.00 O ATOM 1103 CB VAL A 76 8.096 -1.740 3.384 1.00 0.00 C ATOM 1104 CG1 VAL A 76 7.787 -0.926 2.126 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.934 -2.974 3.047 1.00 0.00 C ATOM 0 H VAL A 76 10.530 -0.883 3.271 1.00 0.00 H new ATOM 0 HA VAL A 76 8.076 -0.109 4.735 1.00 0.00 H new ATOM 0 HB VAL A 76 7.149 -2.083 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.293 -1.563 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.132 -0.094 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.715 -0.540 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.417 -3.570 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.903 -2.661 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.080 -3.572 3.947 1.00 0.00 H new ATOM 1115 N GLY A 77 10.425 -1.515 6.091 1.00 0.00 N ATOM 1116 CA GLY A 77 10.923 -2.200 7.272 1.00 0.00 C ATOM 1117 C GLY A 77 12.015 -3.206 6.903 1.00 0.00 C ATOM 1118 O GLY A 77 12.152 -4.244 7.549 1.00 0.00 O ATOM 0 H GLY A 77 11.114 -0.934 5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.319 -1.471 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.102 -2.715 7.771 1.00 0.00 H new ATOM 1122 N GLY A 78 12.765 -2.862 5.866 1.00 0.00 N ATOM 1123 CA GLY A 78 13.841 -3.722 5.404 1.00 0.00 C ATOM 1124 C GLY A 78 15.130 -2.924 5.197 1.00 0.00 C ATOM 1125 O GLY A 78 15.144 -1.705 5.367 1.00 0.00 O ATOM 0 H GLY A 78 12.649 -2.000 5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.014 -4.517 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.552 -4.202 4.469 1.00 0.00 H new ATOM 1129 N LEU A 79 16.182 -3.643 4.833 1.00 0.00 N ATOM 1130 CA LEU A 79 17.473 -3.017 4.601 1.00 0.00 C ATOM 1131 C LEU A 79 17.386 -2.122 3.363 1.00 0.00 C ATOM 1132 O LEU A 79 17.848 -0.983 3.383 1.00 0.00 O ATOM 1133 CB LEU A 79 18.574 -4.076 4.519 1.00 0.00 C ATOM 1134 CG LEU A 79 19.236 -4.460 5.844 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.249 -5.979 6.030 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.637 -3.857 5.952 1.00 0.00 C ATOM 0 H LEU A 79 16.167 -4.653 4.693 1.00 0.00 H new ATOM 0 HA LEU A 79 17.742 -2.375 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.152 -4.976 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.347 -3.716 3.840 1.00 0.00 H new ATOM 0 HG LEU A 79 18.642 -4.041 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.725 -6.225 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.226 -6.354 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 79 19.806 -6.441 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.085 -4.145 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.255 -4.225 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.571 -2.770 5.897 1.00 0.00 H new ATOM 1148 N GLU A 80 16.790 -2.673 2.315 1.00 0.00 N ATOM 1149 CA GLU A 80 16.637 -1.938 1.071 1.00 0.00 C ATOM 1150 C GLU A 80 15.855 -0.645 1.310 1.00 0.00 C ATOM 1151 O GLU A 80 14.884 -0.633 2.065 1.00 0.00 O ATOM 1152 CB GLU A 80 15.957 -2.801 0.006 1.00 0.00 C ATOM 1153 CG GLU A 80 16.845 -3.980 -0.395 1.00 0.00 C ATOM 1154 CD GLU A 80 16.091 -5.305 -0.263 1.00 0.00 C ATOM 1155 OE1 GLU A 80 14.983 -5.386 -0.835 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.639 -6.206 0.408 1.00 0.00 O ATOM 0 H GLU A 80 16.408 -3.619 2.302 1.00 0.00 H new ATOM 0 HA GLU A 80 17.629 -1.676 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.005 -3.171 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.735 -2.194 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.184 -3.851 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.735 -4.000 0.234 1.00 0.00 H new ATOM 1163 N THR A 81 16.307 0.412 0.653 1.00 0.00 N ATOM 1164 CA THR A 81 15.662 1.708 0.785 1.00 0.00 C ATOM 1165 C THR A 81 15.461 2.346 -0.591 1.00 0.00 C ATOM 1166 O THR A 81 15.748 1.727 -1.615 1.00 0.00 O ATOM 1167 CB THR A 81 16.506 2.562 1.733 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.842 2.374 1.274 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.522 2.010 3.160 1.00 0.00 C ATOM 0 H THR A 81 17.112 0.398 0.027 1.00 0.00 H new ATOM 0 HA THR A 81 14.664 1.611 1.213 1.00 0.00 H new ATOM 0 HB THR A 81 16.121 3.582 1.742 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.456 2.895 1.833 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.135 2.653 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.505 1.981 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.938 1.002 3.156 1.00 0.00 H new ATOM 1177 N PHE A 82 14.969 3.576 -0.571 1.00 0.00 N ATOM 1178 CA PHE A 82 14.726 4.305 -1.804 1.00 0.00 C ATOM 1179 C PHE A 82 14.675 5.813 -1.549 1.00 0.00 C ATOM 1180 O PHE A 82 14.427 6.248 -0.426 1.00 0.00 O ATOM 1181 CB PHE A 82 13.368 3.844 -2.336 1.00 0.00 C ATOM 1182 CG PHE A 82 13.167 2.327 -2.298 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.567 1.562 -3.348 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.587 1.745 -1.214 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.381 0.154 -3.313 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.401 0.338 -1.179 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.801 -0.428 -2.229 1.00 0.00 C ATOM 0 H PHE A 82 14.732 4.086 0.280 1.00 0.00 H new ATOM 0 HA PHE A 82 15.529 4.111 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.580 4.319 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.256 4.190 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.026 2.025 -4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.268 2.353 -0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.700 -0.454 -4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.942 -0.124 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.658 -1.498 -2.202 1.00 0.00 H new ATOM 1197 N ASP A 83 14.915 6.568 -2.611 1.00 0.00 N ATOM 1198 CA ASP A 83 14.899 8.018 -2.516 1.00 0.00 C ATOM 1199 C ASP A 83 13.523 8.538 -2.936 1.00 0.00 C ATOM 1200 O ASP A 83 13.041 9.534 -2.399 1.00 0.00 O ATOM 1201 CB ASP A 83 15.944 8.642 -3.444 1.00 0.00 C ATOM 1202 CG ASP A 83 17.398 8.336 -3.080 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.745 8.558 -1.900 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.129 7.888 -3.989 1.00 0.00 O ATOM 0 H ASP A 83 15.121 6.203 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 83 15.123 8.291 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.759 8.294 -4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.806 9.723 -3.447 1.00 0.00 H new ATOM 1209 N SER A 84 12.929 7.840 -3.893 1.00 0.00 N ATOM 1210 CA SER A 84 11.618 8.219 -4.391 1.00 0.00 C ATOM 1211 C SER A 84 10.634 7.062 -4.207 1.00 0.00 C ATOM 1212 O SER A 84 10.973 5.907 -4.462 1.00 0.00 O ATOM 1213 CB SER A 84 11.685 8.629 -5.864 1.00 0.00 C ATOM 1214 OG SER A 84 12.793 9.484 -6.130 1.00 0.00 O ATOM 0 H SER A 84 13.332 7.014 -4.336 1.00 0.00 H new ATOM 0 HA SER A 84 11.270 9.079 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.758 7.737 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.761 9.136 -6.142 1.00 0.00 H new ATOM 0 HG SER A 84 12.802 9.722 -7.081 1.00 0.00 H new ATOM 1220 N LEU A 85 9.435 7.412 -3.765 1.00 0.00 N ATOM 1221 CA LEU A 85 8.399 6.417 -3.544 1.00 0.00 C ATOM 1222 C LEU A 85 8.280 5.527 -4.783 1.00 0.00 C ATOM 1223 O LEU A 85 7.905 4.359 -4.679 1.00 0.00 O ATOM 1224 CB LEU A 85 7.086 7.090 -3.142 1.00 0.00 C ATOM 1225 CG LEU A 85 6.718 7.013 -1.659 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.212 5.616 -1.292 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.893 7.446 -0.780 1.00 0.00 C ATOM 0 H LEU A 85 9.158 8.371 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 85 8.666 5.769 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.137 8.140 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.279 6.640 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 85 5.902 7.711 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.957 5.588 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.327 5.382 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.991 4.881 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.605 7.382 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.745 6.791 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.167 8.474 -1.019 1.00 0.00 H new ATOM 1239 N THR A 86 8.605 6.112 -5.926 1.00 0.00 N ATOM 1240 CA THR A 86 8.539 5.386 -7.183 1.00 0.00 C ATOM 1241 C THR A 86 9.569 4.254 -7.201 1.00 0.00 C ATOM 1242 O THR A 86 9.219 3.096 -7.421 1.00 0.00 O ATOM 1243 CB THR A 86 8.724 6.393 -8.320 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.462 7.047 -8.413 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.893 5.715 -9.681 1.00 0.00 C ATOM 0 H THR A 86 8.915 7.080 -6.008 1.00 0.00 H new ATOM 0 HA THR A 86 7.570 4.903 -7.310 1.00 0.00 H new ATOM 0 HB THR A 86 9.594 7.016 -8.114 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.944 6.876 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.021 6.474 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.771 5.069 -9.659 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.008 5.118 -9.902 1.00 0.00 H new ATOM 1253 N ASP A 87 10.817 4.630 -6.965 1.00 0.00 N ATOM 1254 CA ASP A 87 11.900 3.661 -6.951 1.00 0.00 C ATOM 1255 C ASP A 87 11.617 2.602 -5.884 1.00 0.00 C ATOM 1256 O ASP A 87 12.215 1.527 -5.896 1.00 0.00 O ATOM 1257 CB ASP A 87 13.233 4.329 -6.612 1.00 0.00 C ATOM 1258 CG ASP A 87 14.320 4.183 -7.678 1.00 0.00 C ATOM 1259 OD1 ASP A 87 14.376 3.091 -8.285 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.071 5.165 -7.863 1.00 0.00 O ATOM 0 H ASP A 87 11.103 5.592 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 87 11.964 3.213 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.056 5.390 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.604 3.910 -5.677 1.00 0.00 H new ATOM 1265 N LEU A 88 10.704 2.942 -4.985 1.00 0.00 N ATOM 1266 CA LEU A 88 10.335 2.034 -3.913 1.00 0.00 C ATOM 1267 C LEU A 88 9.217 1.108 -4.397 1.00 0.00 C ATOM 1268 O LEU A 88 9.324 -0.112 -4.282 1.00 0.00 O ATOM 1269 CB LEU A 88 9.980 2.817 -2.647 1.00 0.00 C ATOM 1270 CG LEU A 88 9.531 1.982 -1.446 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.853 2.694 -0.131 1.00 0.00 C ATOM 1272 CD2 LEU A 88 8.048 1.620 -1.553 1.00 0.00 C ATOM 0 H LEU A 88 10.209 3.834 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 88 11.180 1.400 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.849 3.405 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.186 3.523 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 88 10.092 1.048 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.523 2.079 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.928 2.858 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.337 3.654 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.755 1.027 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.452 2.532 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.879 1.043 -2.462 1.00 0.00 H new ATOM 1284 N VAL A 89 8.171 1.723 -4.928 1.00 0.00 N ATOM 1285 CA VAL A 89 7.035 0.969 -5.430 1.00 0.00 C ATOM 1286 C VAL A 89 7.466 0.161 -6.655 1.00 0.00 C ATOM 1287 O VAL A 89 7.044 -0.981 -6.830 1.00 0.00 O ATOM 1288 CB VAL A 89 5.866 1.914 -5.719 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.977 1.361 -6.835 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.052 2.182 -4.452 1.00 0.00 C ATOM 0 H VAL A 89 8.086 2.735 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 89 6.685 0.260 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 89 6.279 2.864 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.154 2.051 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.565 1.245 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.577 0.392 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.228 2.856 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.655 1.242 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.693 2.639 -3.698 1.00 0.00 H new ATOM 1300 N GLU A 90 8.302 0.785 -7.472 1.00 0.00 N ATOM 1301 CA GLU A 90 8.795 0.137 -8.676 1.00 0.00 C ATOM 1302 C GLU A 90 9.701 -1.041 -8.312 1.00 0.00 C ATOM 1303 O GLU A 90 10.012 -1.875 -9.161 1.00 0.00 O ATOM 1304 CB GLU A 90 9.529 1.135 -9.574 1.00 0.00 C ATOM 1305 CG GLU A 90 8.542 2.066 -10.281 1.00 0.00 C ATOM 1306 CD GLU A 90 9.145 2.627 -11.570 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.844 3.658 -11.467 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.892 2.014 -12.629 1.00 0.00 O ATOM 0 H GLU A 90 8.650 1.732 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 90 7.941 -0.246 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.225 1.724 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.121 0.597 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.625 1.523 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.269 2.886 -9.616 1.00 0.00 H new ATOM 1315 N HIS A 91 10.098 -1.073 -7.048 1.00 0.00 N ATOM 1316 CA HIS A 91 10.961 -2.135 -6.561 1.00 0.00 C ATOM 1317 C HIS A 91 10.111 -3.339 -6.150 1.00 0.00 C ATOM 1318 O HIS A 91 10.356 -4.459 -6.597 1.00 0.00 O ATOM 1319 CB HIS A 91 11.860 -1.630 -5.431 1.00 0.00 C ATOM 1320 CG HIS A 91 12.469 -2.729 -4.593 1.00 0.00 C ATOM 1321 ND1 HIS A 91 13.704 -3.287 -4.872 1.00 0.00 N ATOM 1322 CD2 HIS A 91 12.001 -3.365 -3.481 1.00 0.00 C ATOM 1323 CE1 HIS A 91 13.958 -4.217 -3.963 1.00 0.00 C ATOM 1324 NE2 HIS A 91 12.901 -4.264 -3.102 1.00 0.00 N ATOM 0 H HIS A 91 9.837 -0.380 -6.346 1.00 0.00 H new ATOM 0 HA HIS A 91 11.628 -2.461 -7.359 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.661 -1.028 -5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.279 -0.973 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS A 91 11.058 -3.170 -2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.846 -4.830 -3.913 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.816 -4.887 -2.299 1.00 0.00 H new ATOM 1332 N PHE A 92 9.129 -3.068 -5.303 1.00 0.00 N ATOM 1333 CA PHE A 92 8.242 -4.115 -4.826 1.00 0.00 C ATOM 1334 C PHE A 92 7.174 -4.446 -5.871 1.00 0.00 C ATOM 1335 O PHE A 92 6.410 -5.396 -5.704 1.00 0.00 O ATOM 1336 CB PHE A 92 7.557 -3.582 -3.566 1.00 0.00 C ATOM 1337 CG PHE A 92 8.484 -3.472 -2.354 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.794 -4.581 -1.631 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.999 -2.264 -1.999 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.655 -4.478 -0.506 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.860 -2.161 -0.875 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.169 -3.270 -0.152 1.00 0.00 C ATOM 0 H PHE A 92 8.928 -2.138 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 92 8.811 -5.023 -4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.138 -2.599 -3.781 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.722 -4.236 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.385 -5.540 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.753 -1.383 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.901 -5.359 0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.269 -1.202 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.823 -3.191 0.704 1.00 0.00 H new ATOM 1352 N LYS A 93 7.155 -3.645 -6.925 1.00 0.00 N ATOM 1353 CA LYS A 93 6.193 -3.841 -7.997 1.00 0.00 C ATOM 1354 C LYS A 93 6.496 -5.158 -8.714 1.00 0.00 C ATOM 1355 O LYS A 93 5.656 -5.677 -9.447 1.00 0.00 O ATOM 1356 CB LYS A 93 6.171 -2.625 -8.926 1.00 0.00 C ATOM 1357 CG LYS A 93 4.921 -1.776 -8.690 1.00 0.00 C ATOM 1358 CD LYS A 93 4.893 -0.568 -9.628 1.00 0.00 C ATOM 1359 CE LYS A 93 4.495 -0.984 -11.045 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.114 -0.545 -11.346 1.00 0.00 N ATOM 0 H LYS A 93 7.790 -2.858 -7.060 1.00 0.00 H new ATOM 0 HA LYS A 93 5.184 -3.923 -7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.062 -2.020 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.199 -2.956 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.030 -2.383 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.897 -1.437 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.188 0.173 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.875 -0.094 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.187 -0.548 -11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.569 -2.067 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.860 -0.836 -12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.456 -0.981 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.054 0.490 -11.269 1.00 0.00 H new ATOM 1374 N LYS A 94 7.699 -5.660 -8.477 1.00 0.00 N ATOM 1375 CA LYS A 94 8.124 -6.907 -9.091 1.00 0.00 C ATOM 1376 C LYS A 94 8.273 -7.978 -8.009 1.00 0.00 C ATOM 1377 O LYS A 94 7.565 -8.984 -8.025 1.00 0.00 O ATOM 1378 CB LYS A 94 9.391 -6.691 -9.921 1.00 0.00 C ATOM 1379 CG LYS A 94 10.167 -5.468 -9.429 1.00 0.00 C ATOM 1380 CD LYS A 94 11.371 -5.183 -10.329 1.00 0.00 C ATOM 1381 CE LYS A 94 12.140 -3.953 -9.844 1.00 0.00 C ATOM 1382 NZ LYS A 94 12.439 -3.048 -10.976 1.00 0.00 N ATOM 0 H LYS A 94 8.393 -5.226 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 94 7.369 -7.264 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.024 -7.576 -9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.125 -6.560 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.509 -4.599 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.505 -5.635 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.033 -6.049 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.034 -5.025 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.554 -3.424 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.068 -4.263 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.961 -2.218 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.017 -3.551 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.550 -2.738 -11.417 1.00 0.00 H new ATOM 1396 N THR A 95 9.198 -7.726 -7.095 1.00 0.00 N ATOM 1397 CA THR A 95 9.449 -8.657 -6.008 1.00 0.00 C ATOM 1398 C THR A 95 8.146 -8.985 -5.276 1.00 0.00 C ATOM 1399 O THR A 95 7.797 -10.154 -5.115 1.00 0.00 O ATOM 1400 CB THR A 95 10.518 -8.046 -5.100 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.889 -6.892 -4.550 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.704 -7.485 -5.887 1.00 0.00 C ATOM 0 H THR A 95 9.783 -6.890 -7.085 1.00 0.00 H new ATOM 0 HA THR A 95 9.825 -9.610 -6.382 1.00 0.00 H new ATOM 0 HB THR A 95 10.873 -8.801 -4.399 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.477 -6.116 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.433 -7.063 -5.195 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.170 -8.285 -6.462 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.355 -6.706 -6.565 1.00 0.00 H new ATOM 1410 N GLY A 96 7.461 -7.933 -4.852 1.00 0.00 N ATOM 1411 CA GLY A 96 6.204 -8.095 -4.141 1.00 0.00 C ATOM 1412 C GLY A 96 6.393 -7.880 -2.638 1.00 0.00 C ATOM 1413 O GLY A 96 7.485 -7.535 -2.189 1.00 0.00 O ATOM 0 H GLY A 96 7.753 -6.965 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.471 -7.385 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.806 -9.093 -4.322 1.00 0.00 H new ATOM 1417 N ILE A 97 5.312 -8.094 -1.901 1.00 0.00 N ATOM 1418 CA ILE A 97 5.345 -7.927 -0.458 1.00 0.00 C ATOM 1419 C ILE A 97 4.911 -9.233 0.211 1.00 0.00 C ATOM 1420 O ILE A 97 4.116 -9.987 -0.348 1.00 0.00 O ATOM 1421 CB ILE A 97 4.511 -6.715 -0.040 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.142 -5.415 -0.544 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.293 -6.696 1.475 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.068 -4.429 -1.009 1.00 0.00 C ATOM 0 H ILE A 97 4.408 -8.381 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 97 6.360 -7.717 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 97 3.529 -6.799 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.736 -4.963 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.823 -5.632 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.697 -5.824 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.769 -7.602 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.257 -6.648 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.543 -3.514 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.491 -4.875 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.404 -4.195 -0.177 1.00 0.00 H new ATOM 1436 N GLU A 98 5.452 -9.460 1.399 1.00 0.00 N ATOM 1437 CA GLU A 98 5.130 -10.661 2.151 1.00 0.00 C ATOM 1438 C GLU A 98 4.248 -10.316 3.352 1.00 0.00 C ATOM 1439 O GLU A 98 4.607 -9.466 4.166 1.00 0.00 O ATOM 1440 CB GLU A 98 6.402 -11.386 2.595 1.00 0.00 C ATOM 1441 CG GLU A 98 6.065 -12.608 3.452 1.00 0.00 C ATOM 1442 CD GLU A 98 7.328 -13.204 4.077 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.014 -13.963 3.358 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.579 -12.888 5.260 1.00 0.00 O ATOM 0 H GLU A 98 6.111 -8.832 1.859 1.00 0.00 H new ATOM 0 HA GLU A 98 4.574 -11.336 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.972 -11.697 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.035 -10.703 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.365 -12.324 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.568 -13.360 2.840 1.00 0.00 H new ATOM 1451 N GLU A 99 3.110 -10.991 3.424 1.00 0.00 N ATOM 1452 CA GLU A 99 2.174 -10.766 4.512 1.00 0.00 C ATOM 1453 C GLU A 99 2.697 -11.402 5.802 1.00 0.00 C ATOM 1454 O GLU A 99 3.798 -11.949 5.827 1.00 0.00 O ATOM 1455 CB GLU A 99 0.785 -11.303 4.160 1.00 0.00 C ATOM 1456 CG GLU A 99 -0.013 -10.274 3.357 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.500 -10.336 3.711 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.790 -10.476 4.919 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -2.313 -10.241 2.767 1.00 0.00 O ATOM 0 H GLU A 99 2.815 -11.694 2.746 1.00 0.00 H new ATOM 0 HA GLU A 99 2.083 -9.691 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.882 -12.223 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.246 -11.554 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.371 -9.274 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.119 -10.458 2.291 1.00 0.00 H new ATOM 1466 N ALA A 100 1.881 -11.309 6.842 1.00 0.00 N ATOM 1467 CA ALA A 100 2.248 -11.868 8.132 1.00 0.00 C ATOM 1468 C ALA A 100 1.661 -13.275 8.259 1.00 0.00 C ATOM 1469 O ALA A 100 2.014 -14.019 9.173 1.00 0.00 O ATOM 1470 CB ALA A 100 1.771 -10.935 9.247 1.00 0.00 C ATOM 0 H ALA A 100 0.968 -10.855 6.818 1.00 0.00 H new ATOM 0 HA ALA A 100 3.331 -11.953 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.046 -11.354 10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.239 -9.958 9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.688 -10.828 9.193 1.00 0.00 H new ATOM 1476 N SER A 101 0.774 -13.597 7.329 1.00 0.00 N ATOM 1477 CA SER A 101 0.134 -14.902 7.325 1.00 0.00 C ATOM 1478 C SER A 101 0.975 -15.894 6.519 1.00 0.00 C ATOM 1479 O SER A 101 0.663 -17.083 6.473 1.00 0.00 O ATOM 1480 CB SER A 101 -1.282 -14.819 6.753 1.00 0.00 C ATOM 1481 OG SER A 101 -2.275 -14.925 7.770 1.00 0.00 O ATOM 0 H SER A 101 0.483 -12.977 6.573 1.00 0.00 H new ATOM 0 HA SER A 101 0.060 -15.250 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.404 -13.874 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.425 -15.615 6.022 1.00 0.00 H new ATOM 0 HG SER A 101 -3.166 -14.866 7.365 1.00 0.00 H new ATOM 1487 N GLY A 102 2.024 -15.369 5.904 1.00 0.00 N ATOM 1488 CA GLY A 102 2.912 -16.194 5.102 1.00 0.00 C ATOM 1489 C GLY A 102 2.580 -16.070 3.613 1.00 0.00 C ATOM 1490 O GLY A 102 3.260 -16.655 2.771 1.00 0.00 O ATOM 0 H GLY A 102 2.279 -14.382 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.946 -15.895 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.826 -17.235 5.412 1.00 0.00 H new ATOM 1494 N ALA A 103 1.535 -15.305 3.335 1.00 0.00 N ATOM 1495 CA ALA A 103 1.105 -15.096 1.962 1.00 0.00 C ATOM 1496 C ALA A 103 1.865 -13.908 1.370 1.00 0.00 C ATOM 1497 O ALA A 103 2.292 -13.014 2.098 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.411 -14.896 1.927 1.00 0.00 C ATOM 0 H ALA A 103 0.973 -14.822 4.036 1.00 0.00 H new ATOM 0 HA ALA A 103 1.332 -15.969 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.734 -14.739 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.904 -15.780 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.677 -14.026 2.527 1.00 0.00 H new ATOM 1504 N PHE A 104 2.009 -13.936 0.053 1.00 0.00 N ATOM 1505 CA PHE A 104 2.710 -12.872 -0.646 1.00 0.00 C ATOM 1506 C PHE A 104 1.729 -11.976 -1.405 1.00 0.00 C ATOM 1507 O PHE A 104 0.595 -12.375 -1.670 1.00 0.00 O ATOM 1508 CB PHE A 104 3.652 -13.540 -1.649 1.00 0.00 C ATOM 1509 CG PHE A 104 5.075 -13.744 -1.126 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.355 -14.793 -0.306 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.061 -12.876 -1.480 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.675 -14.981 0.180 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.381 -13.065 -0.995 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.661 -14.114 -0.175 1.00 0.00 C ATOM 0 H PHE A 104 1.652 -14.679 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 104 3.251 -12.251 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.238 -14.508 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.692 -12.934 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.573 -15.483 -0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.839 -12.043 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.897 -15.813 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.164 -12.376 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.666 -14.258 0.194 1.00 0.00 H new ATOM 1524 N VAL A 105 2.200 -10.782 -1.733 1.00 0.00 N ATOM 1525 CA VAL A 105 1.378 -9.826 -2.456 1.00 0.00 C ATOM 1526 C VAL A 105 2.225 -9.143 -3.531 1.00 0.00 C ATOM 1527 O VAL A 105 3.450 -9.094 -3.424 1.00 0.00 O ATOM 1528 CB VAL A 105 0.742 -8.837 -1.478 1.00 0.00 C ATOM 1529 CG1 VAL A 105 0.143 -7.640 -2.219 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.311 -9.526 -0.608 1.00 0.00 C ATOM 0 H VAL A 105 3.140 -10.455 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 105 0.557 -10.334 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 105 1.528 -8.465 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.303 -6.953 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.928 -7.126 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.624 -7.987 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.747 -8.800 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.093 -9.941 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.157 -10.329 -0.038 1.00 0.00 H new ATOM 1540 N TYR A 106 1.540 -8.632 -4.544 1.00 0.00 N ATOM 1541 CA TYR A 106 2.214 -7.953 -5.637 1.00 0.00 C ATOM 1542 C TYR A 106 1.406 -6.744 -6.114 1.00 0.00 C ATOM 1543 O TYR A 106 0.178 -6.749 -6.048 1.00 0.00 O ATOM 1544 CB TYR A 106 2.304 -8.972 -6.775 1.00 0.00 C ATOM 1545 CG TYR A 106 2.857 -10.333 -6.349 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.220 -10.554 -6.348 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.995 -11.340 -5.965 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.741 -11.835 -5.946 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.516 -12.621 -5.564 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.863 -12.805 -5.575 1.00 0.00 C ATOM 1551 OH TYR A 106 4.355 -14.015 -5.196 1.00 0.00 O ATOM 0 H TYR A 106 0.525 -8.675 -4.630 1.00 0.00 H new ATOM 0 HA TYR A 106 3.193 -7.593 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.311 -9.112 -7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.936 -8.565 -7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.895 -9.766 -6.649 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.929 -11.167 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.805 -12.021 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.852 -13.417 -5.261 1.00 0.00 H new ATOM 0 HH TYR A 106 3.613 -14.609 -4.957 1.00 0.00 H new ATOM 1561 N LEU A 107 2.128 -5.737 -6.583 1.00 0.00 N ATOM 1562 CA LEU A 107 1.494 -4.525 -7.071 1.00 0.00 C ATOM 1563 C LEU A 107 1.351 -4.605 -8.592 1.00 0.00 C ATOM 1564 O LEU A 107 2.304 -4.343 -9.323 1.00 0.00 O ATOM 1565 CB LEU A 107 2.258 -3.290 -6.589 1.00 0.00 C ATOM 1566 CG LEU A 107 2.669 -3.288 -5.116 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.803 -4.283 -4.861 1.00 0.00 C ATOM 1568 CD2 LEU A 107 3.030 -1.876 -4.649 1.00 0.00 C ATOM 0 H LEU A 107 3.147 -5.736 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 107 0.488 -4.430 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.157 -3.183 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.641 -2.411 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 107 1.815 -3.615 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.076 -4.261 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.474 -5.287 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.669 -4.011 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.319 -1.903 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.861 -1.497 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.168 -1.221 -4.772 1.00 0.00 H new ATOM 1580 N ARG A 108 0.152 -4.968 -9.023 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.129 -5.086 -10.444 1.00 0.00 C ATOM 1582 C ARG A 108 -0.454 -3.713 -11.036 1.00 0.00 C ATOM 1583 O ARG A 108 0.249 -3.234 -11.924 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.302 -6.034 -10.697 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.866 -7.495 -10.563 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.763 -8.414 -11.394 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.011 -9.620 -11.804 1.00 0.00 N ATOM 1588 CZ ARG A 108 -0.127 -9.649 -12.810 1.00 0.00 C ATOM 1589 NH1 ARG A 108 0.122 -8.537 -13.515 1.00 0.00 N ATOM 1590 NH2 ARG A 108 0.509 -10.789 -13.111 1.00 0.00 N ATOM 0 H ARG A 108 -0.636 -5.184 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 108 0.761 -5.492 -10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.103 -5.824 -9.989 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.705 -5.861 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.169 -7.600 -10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.903 -7.795 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.640 -8.702 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.124 -7.884 -12.275 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.176 -10.484 -11.288 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.362 -7.669 -13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.795 -8.559 -14.281 1.00 0.00 H new ATOM 0 HH21 ARG A 108 0.320 -11.635 -12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 108 1.182 -10.811 -13.877 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.521 -3.120 -10.521 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.948 -1.812 -10.988 1.00 0.00 C ATOM 1606 C GLN A 109 -2.329 -0.923 -9.803 1.00 0.00 C ATOM 1607 O GLN A 109 -2.927 -1.394 -8.836 1.00 0.00 O ATOM 1608 CB GLN A 109 -3.109 -1.935 -11.977 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.405 -2.311 -11.256 1.00 0.00 C ATOM 1610 CD GLN A 109 -5.002 -3.595 -11.836 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.700 -3.589 -12.836 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.690 -4.693 -11.153 1.00 0.00 N ATOM 0 H GLN A 109 -2.102 -3.521 -9.785 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.114 -1.346 -11.513 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -3.243 -0.991 -12.505 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.874 -2.690 -12.727 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.208 -2.445 -10.192 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.125 -1.498 -11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.100 -4.627 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.040 -5.601 -11.459 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.958 0.380 -9.918 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.255 1.339 -8.868 1.00 0.00 C ATOM 1623 C PRO A 110 -3.735 1.724 -8.879 1.00 0.00 C ATOM 1624 O PRO A 110 -4.403 1.607 -9.905 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.333 2.517 -9.138 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.891 2.376 -10.586 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.249 0.973 -11.048 1.00 0.00 C ATOM 0 HA PRO A 110 -2.083 0.936 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.850 3.463 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.476 2.505 -8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.385 3.121 -11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.182 2.545 -10.676 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.875 0.998 -11.940 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.357 0.400 -11.301 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.206 2.175 -7.725 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.595 2.577 -7.589 1.00 0.00 C ATOM 1637 C TYR A 111 -5.738 4.097 -7.693 1.00 0.00 C ATOM 1638 O TYR A 111 -4.832 4.837 -7.314 1.00 0.00 O ATOM 1639 CB TYR A 111 -6.029 2.131 -6.191 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.408 2.644 -5.774 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.546 2.100 -6.335 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.515 3.652 -4.837 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.844 2.583 -5.942 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.814 4.135 -4.445 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.914 3.576 -5.016 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.140 4.033 -4.646 1.00 0.00 O ATOM 0 H TYR A 111 -3.649 2.271 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.202 2.132 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -6.031 1.042 -6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.291 2.474 -5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.463 1.312 -7.069 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.625 4.078 -4.398 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.742 2.166 -6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.912 4.924 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.796 3.309 -4.723 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.884 4.517 -8.209 1.00 0.00 N ATOM 1657 CA TYR A 112 -7.158 5.935 -8.368 1.00 0.00 C ATOM 1658 C TYR A 112 -8.509 6.305 -7.753 1.00 0.00 C ATOM 1659 O TYR A 112 -9.387 5.455 -7.617 1.00 0.00 O ATOM 1660 CB TYR A 112 -7.211 6.188 -9.876 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.862 6.035 -10.581 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -5.222 4.812 -10.589 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.285 7.120 -11.209 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.952 4.668 -11.252 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -4.015 6.976 -11.873 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.411 5.757 -11.861 1.00 0.00 C ATOM 1667 OH TYR A 112 -2.212 5.621 -12.488 1.00 0.00 O ATOM 0 H TYR A 112 -7.633 3.900 -8.522 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.393 6.532 -7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.924 5.497 -10.325 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.589 7.195 -10.052 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.674 3.963 -10.098 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.786 8.077 -11.203 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.441 3.717 -11.265 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.553 7.817 -12.369 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.948 6.480 -12.879 1.00 0.00 H new ATOM 1677 N SER A 113 -8.633 7.576 -7.397 1.00 0.00 N ATOM 1678 CA SER A 113 -9.862 8.069 -6.799 1.00 0.00 C ATOM 1679 C SER A 113 -10.252 9.405 -7.433 1.00 0.00 C ATOM 1680 O SER A 113 -9.399 10.261 -7.661 1.00 0.00 O ATOM 1681 CB SER A 113 -9.714 8.223 -5.284 1.00 0.00 C ATOM 1682 OG SER A 113 -10.899 8.736 -4.682 1.00 0.00 O ATOM 0 H SER A 113 -7.903 8.279 -7.511 1.00 0.00 H new ATOM 0 HA SER A 113 -10.651 7.341 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.473 7.256 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.879 8.889 -5.067 1.00 0.00 H new ATOM 0 HG SER A 113 -10.765 8.818 -3.715 1.00 0.00 H new ATOM 1688 N GLY A 114 -11.543 9.542 -7.700 1.00 0.00 N ATOM 1689 CA GLY A 114 -12.057 10.760 -8.303 1.00 0.00 C ATOM 1690 C GLY A 114 -12.703 11.663 -7.250 1.00 0.00 C ATOM 1691 O GLY A 114 -12.008 12.377 -6.528 1.00 0.00 O ATOM 0 H GLY A 114 -12.248 8.830 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.247 11.295 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.789 10.509 -9.071 1.00 0.00 H new ATOM 1695 N PRO A 115 -14.060 11.601 -7.194 1.00 0.00 N ATOM 1696 CA PRO A 115 -14.807 12.405 -6.241 1.00 0.00 C ATOM 1697 C PRO A 115 -14.688 11.831 -4.828 1.00 0.00 C ATOM 1698 O PRO A 115 -14.259 10.692 -4.650 1.00 0.00 O ATOM 1699 CB PRO A 115 -16.235 12.407 -6.763 1.00 0.00 C ATOM 1700 CG PRO A 115 -16.330 11.231 -7.722 1.00 0.00 C ATOM 1701 CD PRO A 115 -14.916 10.768 -8.032 1.00 0.00 C ATOM 0 HA PRO A 115 -14.426 13.423 -6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -16.949 12.304 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -16.464 13.344 -7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -16.908 10.421 -7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -16.845 11.525 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -14.787 9.710 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -14.680 10.896 -9.089 1.00 0.00 H new ATOM 1709 N SER A 116 -15.075 12.647 -3.858 1.00 0.00 N ATOM 1710 CA SER A 116 -15.017 12.235 -2.466 1.00 0.00 C ATOM 1711 C SER A 116 -16.039 11.126 -2.205 1.00 0.00 C ATOM 1712 O SER A 116 -17.071 11.059 -2.871 1.00 0.00 O ATOM 1713 CB SER A 116 -15.268 13.419 -1.530 1.00 0.00 C ATOM 1714 OG SER A 116 -14.129 14.268 -1.426 1.00 0.00 O ATOM 0 H SER A 116 -15.430 13.591 -4.009 1.00 0.00 H new ATOM 0 HA SER A 116 -14.016 11.853 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.118 13.996 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.536 13.048 -0.540 1.00 0.00 H new ATOM 0 HG SER A 116 -14.330 15.012 -0.821 1.00 0.00 H new ATOM 1720 N SER A 117 -15.716 10.284 -1.234 1.00 0.00 N ATOM 1721 CA SER A 117 -16.593 9.182 -0.877 1.00 0.00 C ATOM 1722 C SER A 117 -16.796 9.145 0.639 1.00 0.00 C ATOM 1723 O SER A 117 -15.839 8.974 1.393 1.00 0.00 O ATOM 1724 CB SER A 117 -16.029 7.848 -1.370 1.00 0.00 C ATOM 1725 OG SER A 117 -17.009 7.075 -2.058 1.00 0.00 O ATOM 0 H SER A 117 -14.859 10.343 -0.684 1.00 0.00 H new ATOM 0 HA SER A 117 -17.556 9.340 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.184 8.035 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 117 -15.649 7.279 -0.521 1.00 0.00 H new ATOM 0 HG SER A 117 -16.609 6.232 -2.358 1.00 0.00 H new ATOM 1731 N GLY A 118 -18.048 9.308 1.040 1.00 0.00 N ATOM 1732 CA GLY A 118 -18.389 9.295 2.452 1.00 0.00 C ATOM 1733 C GLY A 118 -18.624 10.715 2.972 1.00 0.00 C ATOM 1734 O GLY A 118 -18.949 11.616 2.201 1.00 0.00 O ATOM 0 H GLY A 118 -18.839 9.450 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.285 8.694 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.586 8.824 3.019 1.00 0.00 H new TER 1738 GLY A 118