USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 77:sc= -0.149 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.604 K(o=-0.75,f=-3.9!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0.819 K(o=0.65,f=-3.1!) USER MOD Set 2.2: A 13 MET CE :methyl -169:sc= -0.174 (180deg=-0.289) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.614! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.194 USER MOD Single : A 9 TYR OH : rot 2:sc= 0.364 USER MOD Single : A 12 HIS : no HD1:sc= -0.986 K(o=-0.99,f=0.029) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.83! C(o=-1.8!,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 147:sc= 0.424 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.34 K(o=-2.3,f=-1.5) USER MOD Single : A 46 SER OG : rot 39:sc= -0.481 USER MOD Single : A 49 SER OG : rot 148:sc= -0.65 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 -26:sc= 0.837 USER MOD Single : A 63 THR OG1 : rot -136:sc= 0.0956 USER MOD Single : A 64 HIS : no HE2:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0723) USER MOD Single : A 68 MET CE :methyl -137:sc= -2.3! (180deg=-4.36!) USER MOD Single : A 69 CYS SG : rot 40:sc= 0.275 USER MOD Single : A 74 TYR OH : rot -31:sc= 1.34 USER MOD Single : A 75 THR OG1 : rot -151:sc= 0.7 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 SER OG : rot 14:sc= 1.25 USER MOD Single : A 86 THR OG1 : rot -13:sc= 0.00118 USER MOD Single : A 91 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-0.72) 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 -104:sc= 0.126 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 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.176 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 Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.0683 X(o=-0.068,f=-0.00081) USER MOD Single : B 9 SER OG : rot -133:sc= 0.482 USER MOD Single : B 12 ASN : amide:sc= -3.77! C(o=-3.8!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.570 -4.496 -10.803 1.00 0.00 N ATOM 2 CA GLY A 1 18.548 -4.534 -12.254 1.00 0.00 C ATOM 3 C GLY A 1 17.699 -5.669 -12.790 1.00 0.00 C ATOM 4 O GLY A 1 18.173 -6.489 -13.577 1.00 0.00 O ATOM 0 H1 GLY A 1 19.163 -3.703 -10.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.602 -4.369 -10.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.960 -5.388 -10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.165 -3.587 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.567 -4.638 -12.627 1.00 0.00 H new ATOM 8 N SER A 2 16.441 -5.717 -12.365 1.00 0.00 N ATOM 9 CA SER A 2 15.526 -6.764 -12.805 1.00 0.00 C ATOM 10 C SER A 2 15.178 -6.597 -14.280 1.00 0.00 C ATOM 11 O SER A 2 14.656 -5.561 -14.693 1.00 0.00 O ATOM 12 CB SER A 2 14.248 -6.741 -11.963 1.00 0.00 C ATOM 13 OG SER A 2 13.394 -5.682 -12.360 1.00 0.00 O ATOM 0 H SER A 2 16.032 -5.044 -11.717 1.00 0.00 H new ATOM 0 HA SER A 2 16.023 -7.725 -12.673 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.725 -7.692 -12.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.505 -6.630 -10.910 1.00 0.00 H new ATOM 0 HG SER A 2 13.634 -5.390 -13.264 1.00 0.00 H new ATOM 19 N SER A 3 15.471 -7.624 -15.071 1.00 0.00 N ATOM 20 CA SER A 3 15.194 -7.591 -16.502 1.00 0.00 C ATOM 21 C SER A 3 13.691 -7.592 -16.764 1.00 0.00 C ATOM 22 O SER A 3 13.075 -8.647 -16.914 1.00 0.00 O ATOM 23 CB SER A 3 15.844 -8.789 -17.197 1.00 0.00 C ATOM 24 OG SER A 3 15.615 -8.753 -18.596 1.00 0.00 O ATOM 0 H SER A 3 15.900 -8.490 -14.745 1.00 0.00 H new ATOM 0 HA SER A 3 15.616 -6.672 -16.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.916 -8.790 -17.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.444 -9.715 -16.783 1.00 0.00 H new ATOM 0 HG SER A 3 16.042 -9.528 -19.017 1.00 0.00 H new ATOM 30 N GLY A 4 13.104 -6.399 -16.819 1.00 0.00 N ATOM 31 CA GLY A 4 11.678 -6.284 -17.063 1.00 0.00 C ATOM 32 C GLY A 4 10.882 -6.138 -15.781 1.00 0.00 C ATOM 33 O GLY A 4 11.202 -6.758 -14.769 1.00 0.00 O ATOM 0 H GLY A 4 13.591 -5.511 -16.699 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.490 -5.423 -17.704 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.332 -7.165 -17.604 1.00 0.00 H new ATOM 37 N SER A 5 9.840 -5.313 -15.825 1.00 0.00 N ATOM 38 CA SER A 5 8.998 -5.081 -14.657 1.00 0.00 C ATOM 39 C SER A 5 7.765 -5.980 -14.690 1.00 0.00 C ATOM 40 O SER A 5 6.999 -5.965 -15.654 1.00 0.00 O ATOM 41 CB SER A 5 8.572 -3.614 -14.591 1.00 0.00 C ATOM 42 OG SER A 5 7.541 -3.425 -13.637 1.00 0.00 O ATOM 0 H SER A 5 9.559 -4.794 -16.657 1.00 0.00 H new ATOM 0 HA SER A 5 9.579 -5.322 -13.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.430 -2.994 -14.331 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.228 -3.287 -15.572 1.00 0.00 H new ATOM 0 HG SER A 5 7.287 -2.479 -13.613 1.00 0.00 H new ATOM 48 N SER A 6 7.582 -6.762 -13.632 1.00 0.00 N ATOM 49 CA SER A 6 6.445 -7.670 -13.540 1.00 0.00 C ATOM 50 C SER A 6 5.152 -6.899 -13.294 1.00 0.00 C ATOM 51 O SER A 6 4.164 -7.080 -14.004 1.00 0.00 O ATOM 52 CB SER A 6 6.667 -8.687 -12.418 1.00 0.00 C ATOM 53 OG SER A 6 6.777 -8.044 -11.160 1.00 0.00 O ATOM 0 H SER A 6 8.207 -6.785 -12.826 1.00 0.00 H new ATOM 0 HA SER A 6 6.357 -8.199 -14.489 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.839 -9.396 -12.396 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.572 -9.261 -12.617 1.00 0.00 H new ATOM 0 HG SER A 6 6.917 -8.716 -10.460 1.00 0.00 H new ATOM 59 N GLY A 7 5.167 -6.038 -12.281 1.00 0.00 N ATOM 60 CA GLY A 7 3.991 -5.252 -11.958 1.00 0.00 C ATOM 61 C GLY A 7 4.262 -4.218 -10.882 1.00 0.00 C ATOM 62 O GLY A 7 5.061 -3.303 -11.080 1.00 0.00 O ATOM 0 H GLY A 7 5.973 -5.871 -11.678 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.634 -4.751 -12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.193 -5.917 -11.626 1.00 0.00 H new ATOM 66 N TRP A 8 3.594 -4.364 -9.744 1.00 0.00 N ATOM 67 CA TRP A 8 3.766 -3.433 -8.633 1.00 0.00 C ATOM 68 C TRP A 8 4.349 -4.141 -7.416 1.00 0.00 C ATOM 69 O TRP A 8 4.097 -3.747 -6.277 1.00 0.00 O ATOM 70 CB TRP A 8 2.427 -2.787 -8.271 1.00 0.00 C ATOM 71 CG TRP A 8 1.244 -3.641 -8.614 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.200 -3.306 -9.429 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.982 -4.969 -8.149 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.695 -4.346 -9.500 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.237 -5.379 -8.724 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.659 -5.854 -7.306 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.791 -6.633 -8.480 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.108 -7.098 -7.064 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.107 -7.478 -7.650 1.00 0.00 C ATOM 0 H TRP A 8 2.929 -5.117 -9.565 1.00 0.00 H new ATOM 0 HA TRP A 8 4.463 -2.656 -8.946 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.413 -2.571 -7.203 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.340 -1.833 -8.790 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.094 -2.362 -9.942 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.559 -4.349 -10.042 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.597 -5.571 -6.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.727 -6.928 -8.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.622 -7.789 -6.412 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.511 -8.458 -7.442 1.00 0.00 H new ATOM 90 N TYR A 9 5.130 -5.186 -7.662 1.00 0.00 N ATOM 91 CA TYR A 9 5.748 -5.951 -6.585 1.00 0.00 C ATOM 92 C TYR A 9 7.215 -5.569 -6.420 1.00 0.00 C ATOM 93 O TYR A 9 8.002 -5.654 -7.363 1.00 0.00 O ATOM 94 CB TYR A 9 5.627 -7.451 -6.861 1.00 0.00 C ATOM 95 CG TYR A 9 5.565 -8.293 -5.607 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.353 -8.543 -4.975 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.716 -8.839 -5.054 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.290 -9.312 -3.829 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.664 -9.610 -3.909 1.00 0.00 C ATOM 100 CZ TYR A 9 5.449 -9.844 -3.301 1.00 0.00 C ATOM 101 OH TYR A 9 5.391 -10.610 -2.159 1.00 0.00 O ATOM 0 H TYR A 9 5.351 -5.524 -8.599 1.00 0.00 H new ATOM 0 HA TYR A 9 5.223 -5.716 -5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.731 -7.632 -7.455 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.478 -7.771 -7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.444 -8.129 -5.387 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.669 -8.657 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.340 -9.496 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.569 -10.027 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 9 4.458 -10.702 -1.874 1.00 0.00 H new ATOM 111 N HIS A 10 7.579 -5.151 -5.211 1.00 0.00 N ATOM 112 CA HIS A 10 8.952 -4.757 -4.919 1.00 0.00 C ATOM 113 C HIS A 10 9.665 -5.833 -4.106 1.00 0.00 C ATOM 114 O HIS A 10 10.654 -6.411 -4.553 1.00 0.00 O ATOM 115 CB HIS A 10 8.974 -3.430 -4.161 1.00 0.00 C ATOM 116 CG HIS A 10 8.709 -2.238 -5.029 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.705 -1.398 -5.479 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.550 -1.751 -5.531 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.171 -0.443 -6.220 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.864 -0.635 -6.268 1.00 0.00 N ATOM 0 H HIS A 10 6.942 -5.077 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 10 9.478 -4.634 -5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.229 -3.463 -3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.946 -3.311 -3.682 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.563 -2.163 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.710 0.358 -6.704 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.197 -0.050 -6.771 1.00 0.00 H new ATOM 129 N GLY A 11 9.154 -6.098 -2.906 1.00 0.00 N ATOM 130 CA GLY A 11 9.754 -7.103 -2.049 1.00 0.00 C ATOM 131 C GLY A 11 10.449 -6.499 -0.846 1.00 0.00 C ATOM 132 O GLY A 11 9.797 -5.988 0.066 1.00 0.00 O ATOM 0 H GLY A 11 8.335 -5.634 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.983 -7.794 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.473 -7.685 -2.625 1.00 0.00 H new ATOM 136 N HIS A 12 11.778 -6.558 -0.840 1.00 0.00 N ATOM 137 CA HIS A 12 12.563 -6.013 0.262 1.00 0.00 C ATOM 138 C HIS A 12 12.256 -4.532 0.467 1.00 0.00 C ATOM 139 O HIS A 12 12.676 -3.687 -0.323 1.00 0.00 O ATOM 140 CB HIS A 12 14.055 -6.205 -0.003 1.00 0.00 C ATOM 141 CG HIS A 12 14.408 -7.582 -0.474 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.882 -8.566 0.368 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.353 -8.138 -1.706 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.104 -9.668 -0.328 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.790 -9.434 -1.589 1.00 0.00 N ATOM 0 H HIS A 12 12.333 -6.978 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 12 12.292 -6.551 1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.379 -5.480 -0.750 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.608 -5.990 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.026 -7.652 -2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.478 -10.601 0.067 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.861 -10.107 -2.352 1.00 0.00 H new ATOM 154 N MET A 13 11.521 -4.226 1.531 1.00 0.00 N ATOM 155 CA MET A 13 11.159 -2.848 1.839 1.00 0.00 C ATOM 156 C MET A 13 10.478 -2.756 3.201 1.00 0.00 C ATOM 157 O MET A 13 9.775 -3.677 3.618 1.00 0.00 O ATOM 158 CB MET A 13 10.238 -2.286 0.755 1.00 0.00 C ATOM 159 CG MET A 13 10.170 -0.767 0.742 1.00 0.00 C ATOM 160 SD MET A 13 8.967 -0.134 -0.442 1.00 0.00 S ATOM 161 CE MET A 13 9.723 -0.627 -1.989 1.00 0.00 C ATOM 0 H MET A 13 11.165 -4.914 2.194 1.00 0.00 H new ATOM 0 HA MET A 13 12.074 -2.256 1.870 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.582 -2.634 -0.219 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.234 -2.685 0.900 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.914 -0.410 1.740 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.155 -0.365 0.503 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.206 -0.143 -2.817 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.772 -0.330 -1.992 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.652 -1.709 -2.100 1.00 0.00 H new ATOM 171 N SER A 14 10.690 -1.639 3.890 1.00 0.00 N ATOM 172 CA SER A 14 10.099 -1.429 5.206 1.00 0.00 C ATOM 173 C SER A 14 9.179 -0.212 5.201 1.00 0.00 C ATOM 174 O SER A 14 9.334 0.695 4.386 1.00 0.00 O ATOM 175 CB SER A 14 11.196 -1.247 6.258 1.00 0.00 C ATOM 176 OG SER A 14 12.170 -0.314 5.822 1.00 0.00 O ATOM 0 H SER A 14 11.267 -0.866 3.558 1.00 0.00 H new ATOM 0 HA SER A 14 9.507 -2.310 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.754 -0.906 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.672 -2.206 6.462 1.00 0.00 H new ATOM 0 HG SER A 14 12.859 -0.214 6.512 1.00 0.00 H new ATOM 182 N GLY A 15 8.216 -0.204 6.118 1.00 0.00 N ATOM 183 CA GLY A 15 7.283 0.905 6.202 1.00 0.00 C ATOM 184 C GLY A 15 7.959 2.248 6.015 1.00 0.00 C ATOM 185 O GLY A 15 7.527 3.060 5.197 1.00 0.00 O ATOM 0 H GLY A 15 8.065 -0.944 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.509 0.783 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.785 0.884 7.172 1.00 0.00 H new ATOM 189 N GLY A 16 9.023 2.485 6.775 1.00 0.00 N ATOM 190 CA GLY A 16 9.742 3.742 6.674 1.00 0.00 C ATOM 191 C GLY A 16 10.182 4.046 5.256 1.00 0.00 C ATOM 192 O GLY A 16 9.943 5.142 4.748 1.00 0.00 O ATOM 0 H GLY A 16 9.400 1.829 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.106 4.551 7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.617 3.710 7.324 1.00 0.00 H new ATOM 196 N GLN A 17 10.826 3.076 4.616 1.00 0.00 N ATOM 197 CA GLN A 17 11.300 3.248 3.247 1.00 0.00 C ATOM 198 C GLN A 17 10.142 3.557 2.304 1.00 0.00 C ATOM 199 O GLN A 17 10.100 4.619 1.685 1.00 0.00 O ATOM 200 CB GLN A 17 12.034 1.991 2.779 1.00 0.00 C ATOM 201 CG GLN A 17 13.125 2.269 1.756 1.00 0.00 C ATOM 202 CD GLN A 17 14.253 3.111 2.321 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.402 3.235 3.536 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.054 3.694 1.438 1.00 0.00 N ATOM 0 H GLN A 17 11.032 2.163 5.022 1.00 0.00 H new ATOM 0 HA GLN A 17 11.991 4.091 3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.476 1.495 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.312 1.298 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.528 1.323 1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.691 2.780 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.893 3.564 0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.831 4.273 1.758 1.00 0.00 H new ATOM 213 N ALA A 18 9.205 2.621 2.200 1.00 0.00 N ATOM 214 CA ALA A 18 8.045 2.793 1.333 1.00 0.00 C ATOM 215 C ALA A 18 7.522 4.224 1.396 1.00 0.00 C ATOM 216 O ALA A 18 7.245 4.838 0.366 1.00 0.00 O ATOM 217 CB ALA A 18 6.949 1.810 1.717 1.00 0.00 C ATOM 0 H ALA A 18 9.226 1.735 2.705 1.00 0.00 H new ATOM 0 HA ALA A 18 8.354 2.592 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.089 1.950 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.322 0.791 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.650 1.984 2.750 1.00 0.00 H new ATOM 223 N GLU A 19 7.388 4.748 2.611 1.00 0.00 N ATOM 224 CA GLU A 19 6.895 6.106 2.806 1.00 0.00 C ATOM 225 C GLU A 19 7.737 7.108 2.022 1.00 0.00 C ATOM 226 O GLU A 19 7.205 7.982 1.337 1.00 0.00 O ATOM 227 CB GLU A 19 6.906 6.468 4.293 1.00 0.00 C ATOM 228 CG GLU A 19 5.600 6.154 5.005 1.00 0.00 C ATOM 229 CD GLU A 19 5.403 6.990 6.255 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.338 7.053 7.080 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.313 7.582 6.407 1.00 0.00 O ATOM 0 H GLU A 19 7.614 4.253 3.474 1.00 0.00 H new ATOM 0 HA GLU A 19 5.871 6.150 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.716 5.929 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.121 7.531 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.768 6.326 4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.581 5.097 5.272 1.00 0.00 H new ATOM 238 N THR A 20 9.055 6.975 2.128 1.00 0.00 N ATOM 239 CA THR A 20 9.972 7.869 1.431 1.00 0.00 C ATOM 240 C THR A 20 9.771 7.795 -0.078 1.00 0.00 C ATOM 241 O THR A 20 9.547 8.814 -0.736 1.00 0.00 O ATOM 242 CB THR A 20 11.440 7.535 1.757 1.00 0.00 C ATOM 243 OG1 THR A 20 11.656 7.611 3.171 1.00 0.00 O ATOM 244 CG2 THR A 20 12.384 8.490 1.043 1.00 0.00 C ATOM 0 H THR A 20 9.512 6.257 2.690 1.00 0.00 H new ATOM 0 HA THR A 20 9.751 8.879 1.776 1.00 0.00 H new ATOM 0 HB THR A 20 11.645 6.522 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.591 7.396 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.415 8.234 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.237 8.409 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.178 9.512 1.362 1.00 0.00 H new ATOM 252 N LEU A 21 9.851 6.587 -0.624 1.00 0.00 N ATOM 253 CA LEU A 21 9.675 6.381 -2.057 1.00 0.00 C ATOM 254 C LEU A 21 8.341 6.950 -2.531 1.00 0.00 C ATOM 255 O LEU A 21 8.286 7.696 -3.508 1.00 0.00 O ATOM 256 CB LEU A 21 9.753 4.890 -2.391 1.00 0.00 C ATOM 257 CG LEU A 21 11.062 4.189 -2.026 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.991 3.622 -0.616 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.375 3.087 -3.030 1.00 0.00 C ATOM 0 H LEU A 21 10.037 5.735 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 21 10.477 6.907 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.936 4.380 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.585 4.768 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 21 11.866 4.924 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.932 3.127 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.814 4.431 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.176 2.901 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.310 2.599 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.569 2.354 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.471 3.519 -4.026 1.00 0.00 H new ATOM 271 N LEU A 22 7.271 6.594 -1.830 1.00 0.00 N ATOM 272 CA LEU A 22 5.936 7.071 -2.176 1.00 0.00 C ATOM 273 C LEU A 22 5.865 8.593 -2.097 1.00 0.00 C ATOM 274 O LEU A 22 5.598 9.264 -3.094 1.00 0.00 O ATOM 275 CB LEU A 22 4.894 6.451 -1.246 1.00 0.00 C ATOM 276 CG LEU A 22 4.490 5.009 -1.555 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.613 4.449 -0.446 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.771 4.932 -2.895 1.00 0.00 C ATOM 0 H LEU A 22 7.301 5.977 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 22 5.723 6.768 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.278 6.489 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.998 7.071 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 22 5.395 4.404 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.336 3.422 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.161 4.468 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.712 5.055 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.491 3.899 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.875 5.551 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.432 5.291 -3.684 1.00 0.00 H new ATOM 290 N GLN A 23 6.106 9.130 -0.906 1.00 0.00 N ATOM 291 CA GLN A 23 6.070 10.573 -0.697 1.00 0.00 C ATOM 292 C GLN A 23 6.908 11.295 -1.747 1.00 0.00 C ATOM 293 O GLN A 23 6.409 12.160 -2.466 1.00 0.00 O ATOM 294 CB GLN A 23 6.576 10.920 0.703 1.00 0.00 C ATOM 295 CG GLN A 23 5.579 10.604 1.806 1.00 0.00 C ATOM 296 CD GLN A 23 6.138 10.861 3.191 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.354 10.873 3.390 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.253 11.071 4.159 1.00 0.00 N ATOM 0 H GLN A 23 6.328 8.588 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 23 5.036 10.903 -0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.500 10.373 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.821 11.982 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.682 11.207 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.277 9.560 1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.255 11.052 3.950 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.572 11.251 5.111 1.00 0.00 H new ATOM 307 N ALA A 24 8.185 10.934 -1.829 1.00 0.00 N ATOM 308 CA ALA A 24 9.091 11.547 -2.792 1.00 0.00 C ATOM 309 C ALA A 24 8.428 11.687 -4.158 1.00 0.00 C ATOM 310 O ALA A 24 8.526 12.732 -4.803 1.00 0.00 O ATOM 311 CB ALA A 24 10.370 10.731 -2.905 1.00 0.00 C ATOM 0 H ALA A 24 8.615 10.220 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 24 9.340 12.546 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.038 11.200 -3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.861 10.687 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.129 9.721 -3.236 1.00 0.00 H new ATOM 317 N LYS A 25 7.753 10.629 -4.595 1.00 0.00 N ATOM 318 CA LYS A 25 7.074 10.634 -5.885 1.00 0.00 C ATOM 319 C LYS A 25 6.049 11.762 -5.956 1.00 0.00 C ATOM 320 O LYS A 25 5.881 12.396 -6.996 1.00 0.00 O ATOM 321 CB LYS A 25 6.384 9.289 -6.126 1.00 0.00 C ATOM 322 CG LYS A 25 5.624 9.221 -7.438 1.00 0.00 C ATOM 323 CD LYS A 25 6.534 8.829 -8.590 1.00 0.00 C ATOM 324 CE LYS A 25 6.024 9.375 -9.915 1.00 0.00 C ATOM 325 NZ LYS A 25 7.023 9.206 -11.006 1.00 0.00 N ATOM 0 H LYS A 25 7.662 9.757 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 25 7.822 10.797 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.133 8.498 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.694 9.092 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.812 8.499 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.168 10.189 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.540 9.204 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.604 7.743 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.100 8.865 -10.187 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.783 10.432 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.638 9.590 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.896 9.714 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.234 8.195 -11.130 1.00 0.00 H new ATOM 339 N GLY A 26 5.368 12.008 -4.841 1.00 0.00 N ATOM 340 CA GLY A 26 4.370 13.061 -4.798 1.00 0.00 C ATOM 341 C GLY A 26 3.199 12.787 -5.721 1.00 0.00 C ATOM 342 O GLY A 26 2.552 13.716 -6.204 1.00 0.00 O ATOM 0 H GLY A 26 5.490 11.497 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.006 13.171 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.833 14.008 -5.075 1.00 0.00 H new ATOM 346 N GLU A 27 2.927 11.509 -5.967 1.00 0.00 N ATOM 347 CA GLU A 27 1.827 11.117 -6.840 1.00 0.00 C ATOM 348 C GLU A 27 0.675 10.527 -6.033 1.00 0.00 C ATOM 349 O GLU A 27 0.823 9.526 -5.332 1.00 0.00 O ATOM 350 CB GLU A 27 2.308 10.103 -7.879 1.00 0.00 C ATOM 351 CG GLU A 27 2.854 10.741 -9.147 1.00 0.00 C ATOM 352 CD GLU A 27 2.701 9.848 -10.361 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.746 8.610 -10.197 1.00 0.00 O ATOM 354 OE2 GLU A 27 2.536 10.385 -11.477 1.00 0.00 O ATOM 0 H GLU A 27 3.453 10.728 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 27 1.468 12.010 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.083 9.479 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.480 9.444 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.337 11.684 -9.327 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.909 10.978 -9.005 1.00 0.00 H new ATOM 361 N PRO A 28 -0.502 11.161 -6.132 1.00 0.00 N ATOM 362 CA PRO A 28 -1.703 10.717 -5.419 1.00 0.00 C ATOM 363 C PRO A 28 -2.253 9.406 -5.968 1.00 0.00 C ATOM 364 O PRO A 28 -2.219 9.164 -7.175 1.00 0.00 O ATOM 365 CB PRO A 28 -2.699 11.856 -5.657 1.00 0.00 C ATOM 366 CG PRO A 28 -2.251 12.491 -6.928 1.00 0.00 C ATOM 367 CD PRO A 28 -0.753 12.360 -6.950 1.00 0.00 C ATOM 0 HA PRO A 28 -1.502 10.521 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.719 11.480 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.689 12.569 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.699 11.997 -7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.552 13.538 -6.969 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.375 12.240 -7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.267 13.241 -6.531 1.00 0.00 H new ATOM 375 N TRP A 29 -2.758 8.561 -5.076 1.00 0.00 N ATOM 376 CA TRP A 29 -3.315 7.273 -5.473 1.00 0.00 C ATOM 377 C TRP A 29 -2.227 6.355 -6.019 1.00 0.00 C ATOM 378 O TRP A 29 -2.463 5.580 -6.947 1.00 0.00 O ATOM 379 CB TRP A 29 -4.410 7.470 -6.523 1.00 0.00 C ATOM 380 CG TRP A 29 -5.297 8.645 -6.243 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.704 9.594 -7.136 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.885 8.995 -4.987 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.509 10.515 -6.509 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.637 10.169 -5.191 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.852 8.430 -3.709 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.346 10.786 -4.163 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.556 9.044 -2.691 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.296 10.211 -2.923 1.00 0.00 C ATOM 0 H TRP A 29 -2.793 8.745 -4.073 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.749 6.804 -4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.947 7.599 -7.501 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.020 6.568 -6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.433 9.618 -8.181 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.941 11.325 -6.954 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.286 7.530 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.915 11.687 -4.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.536 8.617 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.838 10.665 -2.107 1.00 0.00 H new ATOM 399 N THR A 30 -1.035 6.446 -5.438 1.00 0.00 N ATOM 400 CA THR A 30 0.089 5.624 -5.869 1.00 0.00 C ATOM 401 C THR A 30 0.279 4.427 -4.944 1.00 0.00 C ATOM 402 O THR A 30 0.879 4.543 -3.875 1.00 0.00 O ATOM 403 CB THR A 30 1.395 6.437 -5.911 1.00 0.00 C ATOM 404 OG1 THR A 30 1.266 7.524 -6.836 1.00 0.00 O ATOM 405 CG2 THR A 30 2.569 5.557 -6.317 1.00 0.00 C ATOM 0 H THR A 30 -0.823 7.080 -4.668 1.00 0.00 H new ATOM 0 HA THR A 30 -0.143 5.271 -6.874 1.00 0.00 H new ATOM 0 HB THR A 30 1.584 6.830 -4.912 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.733 8.238 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.481 6.154 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.683 4.747 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.385 5.138 -7.306 1.00 0.00 H new ATOM 413 N PHE A 31 -0.234 3.274 -5.363 1.00 0.00 N ATOM 414 CA PHE A 31 -0.120 2.055 -4.572 1.00 0.00 C ATOM 415 C PHE A 31 1.115 1.256 -4.979 1.00 0.00 C ATOM 416 O PHE A 31 1.691 1.480 -6.044 1.00 0.00 O ATOM 417 CB PHE A 31 -1.375 1.195 -4.738 1.00 0.00 C ATOM 418 CG PHE A 31 -1.438 0.473 -6.053 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.886 1.120 -7.194 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.047 -0.853 -6.149 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.944 0.457 -8.405 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.103 -1.520 -7.359 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.553 -0.864 -8.488 1.00 0.00 C ATOM 0 H PHE A 31 -0.732 3.159 -6.246 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.018 2.339 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.415 0.465 -3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.256 1.829 -4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.193 2.154 -7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.695 -1.371 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.295 0.973 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.795 -2.553 -7.421 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.599 -1.384 -9.434 1.00 0.00 H new ATOM 433 N LEU A 32 1.516 0.322 -4.123 1.00 0.00 N ATOM 434 CA LEU A 32 2.683 -0.511 -4.391 1.00 0.00 C ATOM 435 C LEU A 32 2.743 -1.692 -3.428 1.00 0.00 C ATOM 436 O LEU A 32 2.564 -1.530 -2.220 1.00 0.00 O ATOM 437 CB LEU A 32 3.963 0.319 -4.279 1.00 0.00 C ATOM 438 CG LEU A 32 4.385 0.714 -2.864 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.209 -0.392 -2.224 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.166 2.020 -2.886 1.00 0.00 C ATOM 0 H LEU A 32 1.050 0.123 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 32 2.596 -0.899 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.778 -0.243 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.835 1.229 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 32 3.486 0.861 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.500 -0.093 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.616 -1.305 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.103 -0.572 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.458 2.286 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.058 1.900 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.542 2.810 -3.303 1.00 0.00 H new ATOM 452 N VAL A 33 2.997 -2.878 -3.969 1.00 0.00 N ATOM 453 CA VAL A 33 3.084 -4.087 -3.157 1.00 0.00 C ATOM 454 C VAL A 33 4.520 -4.353 -2.720 1.00 0.00 C ATOM 455 O VAL A 33 5.460 -4.156 -3.489 1.00 0.00 O ATOM 456 CB VAL A 33 2.555 -5.315 -3.920 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.619 -6.556 -3.044 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.134 -5.069 -4.407 1.00 0.00 C ATOM 0 H VAL A 33 3.146 -3.029 -4.967 1.00 0.00 H new ATOM 0 HA VAL A 33 2.464 -3.922 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 33 3.189 -5.481 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.241 -7.414 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.652 -6.741 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.010 -6.404 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.776 -5.947 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.485 -4.877 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.122 -4.206 -5.073 1.00 0.00 H new ATOM 468 N ARG A 34 4.682 -4.803 -1.480 1.00 0.00 N ATOM 469 CA ARG A 34 6.004 -5.096 -0.940 1.00 0.00 C ATOM 470 C ARG A 34 5.929 -6.200 0.110 1.00 0.00 C ATOM 471 O ARG A 34 5.066 -6.179 0.987 1.00 0.00 O ATOM 472 CB ARG A 34 6.619 -3.837 -0.328 1.00 0.00 C ATOM 473 CG ARG A 34 5.805 -3.255 0.816 1.00 0.00 C ATOM 474 CD ARG A 34 6.492 -2.046 1.432 1.00 0.00 C ATOM 475 NE ARG A 34 5.611 -1.318 2.339 1.00 0.00 N ATOM 476 CZ ARG A 34 5.261 -1.765 3.540 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.717 -2.932 3.976 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.455 -1.045 4.309 1.00 0.00 N ATOM 0 H ARG A 34 3.914 -4.973 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 34 6.636 -5.439 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.621 -4.071 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.728 -3.081 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.818 -2.968 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.654 -4.017 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.381 -2.371 1.973 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.828 -1.378 0.639 1.00 0.00 H new ATOM 0 HE ARG A 34 5.244 -0.417 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.338 -3.489 3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.447 -3.273 4.899 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.103 -0.147 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.187 -1.390 5.231 1.00 0.00 H new ATOM 492 N GLU A 35 6.840 -7.164 0.013 1.00 0.00 N ATOM 493 CA GLU A 35 6.876 -8.278 0.955 1.00 0.00 C ATOM 494 C GLU A 35 7.015 -7.774 2.389 1.00 0.00 C ATOM 495 O GLU A 35 7.332 -6.606 2.620 1.00 0.00 O ATOM 496 CB GLU A 35 8.033 -9.220 0.619 1.00 0.00 C ATOM 497 CG GLU A 35 7.696 -10.239 -0.457 1.00 0.00 C ATOM 498 CD GLU A 35 8.746 -11.326 -0.580 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.412 -11.625 0.433 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.901 -11.879 -1.689 1.00 0.00 O ATOM 0 H GLU A 35 7.562 -7.196 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 35 5.936 -8.823 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.889 -8.629 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.336 -9.747 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.732 -10.694 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.592 -9.729 -1.415 1.00 0.00 H new ATOM 507 N SER A 36 6.776 -8.662 3.348 1.00 0.00 N ATOM 508 CA SER A 36 6.870 -8.307 4.759 1.00 0.00 C ATOM 509 C SER A 36 8.276 -8.567 5.292 1.00 0.00 C ATOM 510 O SER A 36 9.153 -9.030 4.562 1.00 0.00 O ATOM 511 CB SER A 36 5.848 -9.101 5.575 1.00 0.00 C ATOM 512 OG SER A 36 6.218 -10.466 5.666 1.00 0.00 O ATOM 0 H SER A 36 6.516 -9.633 3.174 1.00 0.00 H new ATOM 0 HA SER A 36 6.654 -7.243 4.856 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.767 -8.675 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.865 -9.018 5.112 1.00 0.00 H new ATOM 0 HG SER A 36 5.932 -10.825 6.532 1.00 0.00 H new ATOM 518 N LEU A 37 8.482 -8.264 6.568 1.00 0.00 N ATOM 519 CA LEU A 37 9.782 -8.464 7.201 1.00 0.00 C ATOM 520 C LEU A 37 9.688 -9.493 8.324 1.00 0.00 C ATOM 521 O LEU A 37 10.432 -10.474 8.343 1.00 0.00 O ATOM 522 CB LEU A 37 10.312 -7.139 7.752 1.00 0.00 C ATOM 523 CG LEU A 37 10.502 -6.016 6.731 1.00 0.00 C ATOM 524 CD1 LEU A 37 10.404 -4.657 7.409 1.00 0.00 C ATOM 525 CD2 LEU A 37 11.838 -6.164 6.018 1.00 0.00 C ATOM 0 H LEU A 37 7.767 -7.879 7.185 1.00 0.00 H new ATOM 0 HA LEU A 37 10.473 -8.839 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.626 -6.789 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.269 -7.327 8.238 1.00 0.00 H new ATOM 0 HG LEU A 37 9.707 -6.087 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.542 -3.870 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.423 -4.552 7.873 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.177 -4.575 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.956 -5.357 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.647 -6.119 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.870 -7.122 5.500 1.00 0.00 H new ATOM 537 N SER A 38 8.769 -9.263 9.256 1.00 0.00 N ATOM 538 CA SER A 38 8.579 -10.169 10.381 1.00 0.00 C ATOM 539 C SER A 38 7.358 -11.059 10.164 1.00 0.00 C ATOM 540 O SER A 38 7.462 -12.285 10.177 1.00 0.00 O ATOM 541 CB SER A 38 8.420 -9.376 11.681 1.00 0.00 C ATOM 542 OG SER A 38 9.676 -8.928 12.160 1.00 0.00 O ATOM 0 H SER A 38 8.144 -8.457 9.254 1.00 0.00 H new ATOM 0 HA SER A 38 9.462 -10.804 10.455 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.765 -8.521 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.941 -10.000 12.435 1.00 0.00 H new ATOM 0 HG SER A 38 9.548 -8.423 12.990 1.00 0.00 H new ATOM 548 N GLN A 39 6.205 -10.431 9.962 1.00 0.00 N ATOM 549 CA GLN A 39 4.964 -11.165 9.743 1.00 0.00 C ATOM 550 C GLN A 39 5.214 -12.420 8.912 1.00 0.00 C ATOM 551 O GLN A 39 5.839 -12.378 7.852 1.00 0.00 O ATOM 552 CB GLN A 39 3.936 -10.274 9.044 1.00 0.00 C ATOM 553 CG GLN A 39 3.186 -9.352 9.992 1.00 0.00 C ATOM 554 CD GLN A 39 4.106 -8.394 10.723 1.00 0.00 C ATOM 555 OE1 GLN A 39 4.121 -8.346 11.954 1.00 0.00 O ATOM 556 NE2 GLN A 39 4.880 -7.622 9.969 1.00 0.00 N ATOM 0 H GLN A 39 6.104 -9.416 9.945 1.00 0.00 H new ATOM 0 HA GLN A 39 4.573 -11.466 10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.442 -9.672 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.218 -10.904 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.447 -8.782 9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.640 -9.952 10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.836 -7.694 8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.518 -6.957 10.406 1.00 0.00 H new ATOM 565 N PRO A 40 4.716 -13.564 9.403 1.00 0.00 N ATOM 566 CA PRO A 40 4.873 -14.852 8.722 1.00 0.00 C ATOM 567 C PRO A 40 4.054 -14.933 7.438 1.00 0.00 C ATOM 568 O PRO A 40 2.840 -14.736 7.451 1.00 0.00 O ATOM 569 CB PRO A 40 4.356 -15.862 9.750 1.00 0.00 C ATOM 570 CG PRO A 40 3.411 -15.086 10.601 1.00 0.00 C ATOM 571 CD PRO A 40 3.961 -13.688 10.662 1.00 0.00 C ATOM 0 HA PRO A 40 5.904 -15.026 8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.855 -16.700 9.265 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.172 -16.278 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.408 -15.092 10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.337 -15.520 11.598 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.166 -12.946 10.729 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.603 -13.546 11.531 1.00 0.00 H new ATOM 579 N GLY A 41 4.728 -15.224 6.329 1.00 0.00 N ATOM 580 CA GLY A 41 4.046 -15.325 5.052 1.00 0.00 C ATOM 581 C GLY A 41 2.875 -14.369 4.942 1.00 0.00 C ATOM 582 O GLY A 41 1.726 -14.794 4.823 1.00 0.00 O ATOM 0 H GLY A 41 5.733 -15.391 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.754 -15.121 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.691 -16.346 4.913 1.00 0.00 H new ATOM 586 N ASP A 42 3.166 -13.073 4.984 1.00 0.00 N ATOM 587 CA ASP A 42 2.129 -12.053 4.889 1.00 0.00 C ATOM 588 C ASP A 42 2.575 -10.906 3.988 1.00 0.00 C ATOM 589 O ASP A 42 3.764 -10.597 3.902 1.00 0.00 O ATOM 590 CB ASP A 42 1.779 -11.519 6.280 1.00 0.00 C ATOM 591 CG ASP A 42 0.353 -11.010 6.363 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.563 -11.838 6.547 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.154 -9.783 6.245 1.00 0.00 O ATOM 0 H ASP A 42 4.112 -12.705 5.083 1.00 0.00 H new ATOM 0 HA ASP A 42 1.243 -12.512 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.923 -12.310 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.465 -10.713 6.540 1.00 0.00 H new ATOM 598 N PHE A 43 1.614 -10.279 3.318 1.00 0.00 N ATOM 599 CA PHE A 43 1.908 -9.167 2.420 1.00 0.00 C ATOM 600 C PHE A 43 1.399 -7.850 3.001 1.00 0.00 C ATOM 601 O PHE A 43 0.651 -7.838 3.978 1.00 0.00 O ATOM 602 CB PHE A 43 1.277 -9.410 1.049 1.00 0.00 C ATOM 603 CG PHE A 43 1.652 -10.732 0.441 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.278 -11.920 1.049 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.380 -10.786 -0.737 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.621 -13.137 0.493 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.726 -12.001 -1.298 1.00 0.00 C ATOM 608 CZ PHE A 43 2.347 -13.179 -0.682 1.00 0.00 C ATOM 0 H PHE A 43 0.625 -10.521 3.379 1.00 0.00 H new ATOM 0 HA PHE A 43 2.990 -9.100 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.192 -9.357 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.578 -8.610 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.712 -11.894 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.680 -9.869 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.322 -14.055 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.292 -12.030 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.618 -14.129 -1.118 1.00 0.00 H new ATOM 618 N VAL A 44 1.813 -6.744 2.392 1.00 0.00 N ATOM 619 CA VAL A 44 1.400 -5.421 2.847 1.00 0.00 C ATOM 620 C VAL A 44 1.068 -4.514 1.669 1.00 0.00 C ATOM 621 O VAL A 44 1.808 -4.458 0.686 1.00 0.00 O ATOM 622 CB VAL A 44 2.494 -4.754 3.702 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.101 -3.329 4.057 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.761 -5.571 4.957 1.00 0.00 C ATOM 0 H VAL A 44 2.434 -6.737 1.583 1.00 0.00 H new ATOM 0 HA VAL A 44 0.508 -5.561 3.457 1.00 0.00 H new ATOM 0 HB VAL A 44 3.414 -4.716 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.886 -2.875 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.966 -2.751 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.169 -3.339 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.537 -5.085 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.846 -5.643 5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.092 -6.571 4.677 1.00 0.00 H new ATOM 634 N LEU A 45 -0.050 -3.804 1.772 1.00 0.00 N ATOM 635 CA LEU A 45 -0.482 -2.897 0.715 1.00 0.00 C ATOM 636 C LEU A 45 -0.244 -1.444 1.113 1.00 0.00 C ATOM 637 O LEU A 45 -0.740 -0.982 2.141 1.00 0.00 O ATOM 638 CB LEU A 45 -1.963 -3.115 0.401 1.00 0.00 C ATOM 639 CG LEU A 45 -2.640 -2.027 -0.433 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.096 -2.026 -1.852 1.00 0.00 C ATOM 641 CD2 LEU A 45 -4.150 -2.222 -0.438 1.00 0.00 C ATOM 0 H LEU A 45 -0.674 -3.839 2.578 1.00 0.00 H new ATOM 0 HA LEU A 45 0.107 -3.112 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.066 -4.064 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.503 -3.211 1.343 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.420 -1.060 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.590 -1.245 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.023 -1.838 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.285 -2.995 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.616 -1.439 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.390 -3.196 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.527 -2.171 0.584 1.00 0.00 H new ATOM 653 N SER A 46 0.518 -0.728 0.291 1.00 0.00 N ATOM 654 CA SER A 46 0.823 0.674 0.558 1.00 0.00 C ATOM 655 C SER A 46 0.190 1.578 -0.495 1.00 0.00 C ATOM 656 O SER A 46 0.048 1.192 -1.656 1.00 0.00 O ATOM 657 CB SER A 46 2.337 0.890 0.590 1.00 0.00 C ATOM 658 OG SER A 46 3.001 -0.031 -0.258 1.00 0.00 O ATOM 0 H SER A 46 0.935 -1.095 -0.564 1.00 0.00 H new ATOM 0 HA SER A 46 0.405 0.933 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.569 1.908 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.702 0.778 1.611 1.00 0.00 H new ATOM 0 HG SER A 46 2.474 -0.163 -1.074 1.00 0.00 H new ATOM 664 N VAL A 47 -0.188 2.783 -0.081 1.00 0.00 N ATOM 665 CA VAL A 47 -0.805 3.743 -0.988 1.00 0.00 C ATOM 666 C VAL A 47 -0.561 5.174 -0.522 1.00 0.00 C ATOM 667 O VAL A 47 -0.549 5.454 0.677 1.00 0.00 O ATOM 668 CB VAL A 47 -2.322 3.506 -1.109 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.956 4.557 -2.009 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.602 2.105 -1.632 1.00 0.00 C ATOM 0 H VAL A 47 -0.078 3.117 0.876 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.343 3.598 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.767 3.594 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.028 4.374 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.785 5.548 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.509 4.503 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.679 1.955 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.146 1.985 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.183 1.370 -0.945 1.00 0.00 H new ATOM 680 N LEU A 48 -0.367 6.077 -1.477 1.00 0.00 N ATOM 681 CA LEU A 48 -0.123 7.481 -1.165 1.00 0.00 C ATOM 682 C LEU A 48 -1.370 8.321 -1.424 1.00 0.00 C ATOM 683 O LEU A 48 -1.653 8.693 -2.563 1.00 0.00 O ATOM 684 CB LEU A 48 1.046 8.013 -1.995 1.00 0.00 C ATOM 685 CG LEU A 48 1.608 9.370 -1.571 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.270 9.271 -0.205 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.595 9.887 -2.607 1.00 0.00 C ATOM 0 H LEU A 48 -0.374 5.862 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 48 0.128 7.554 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.853 7.281 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.725 8.084 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 48 0.782 10.077 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.664 10.247 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.536 8.947 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.085 8.549 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.984 10.854 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.418 9.180 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.090 9.998 -3.567 1.00 0.00 H new ATOM 699 N SER A 49 -2.109 8.617 -0.361 1.00 0.00 N ATOM 700 CA SER A 49 -3.326 9.413 -0.473 1.00 0.00 C ATOM 701 C SER A 49 -3.028 10.782 -1.075 1.00 0.00 C ATOM 702 O SER A 49 -1.915 11.295 -0.954 1.00 0.00 O ATOM 703 CB SER A 49 -3.982 9.578 0.899 1.00 0.00 C ATOM 704 OG SER A 49 -3.048 10.045 1.857 1.00 0.00 O ATOM 0 H SER A 49 -1.887 8.318 0.588 1.00 0.00 H new ATOM 0 HA SER A 49 -4.014 8.887 -1.135 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.814 10.278 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.396 8.624 1.225 1.00 0.00 H new ATOM 0 HG SER A 49 -3.508 10.607 2.515 1.00 0.00 H new ATOM 710 N ASP A 50 -4.028 11.368 -1.724 1.00 0.00 N ATOM 711 CA ASP A 50 -3.874 12.678 -2.345 1.00 0.00 C ATOM 712 C ASP A 50 -3.882 13.782 -1.292 1.00 0.00 C ATOM 713 O ASP A 50 -3.689 14.955 -1.608 1.00 0.00 O ATOM 714 CB ASP A 50 -4.990 12.919 -3.362 1.00 0.00 C ATOM 715 CG ASP A 50 -6.200 13.593 -2.745 1.00 0.00 C ATOM 716 OD1 ASP A 50 -6.581 13.212 -1.618 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.765 14.501 -3.389 1.00 0.00 O ATOM 0 H ASP A 50 -4.955 10.956 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.914 12.698 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.609 13.537 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.291 11.967 -3.799 1.00 0.00 H new ATOM 722 N GLN A 51 -4.106 13.397 -0.039 1.00 0.00 N ATOM 723 CA GLN A 51 -4.140 14.355 1.059 1.00 0.00 C ATOM 724 C GLN A 51 -2.741 14.594 1.618 1.00 0.00 C ATOM 725 O GLN A 51 -2.117 13.703 2.195 1.00 0.00 O ATOM 726 CB GLN A 51 -5.068 13.857 2.169 1.00 0.00 C ATOM 727 CG GLN A 51 -6.518 13.722 1.736 1.00 0.00 C ATOM 728 CD GLN A 51 -7.298 12.754 2.602 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.665 13.073 3.734 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.558 11.563 2.076 1.00 0.00 N ATOM 0 H GLN A 51 -4.266 12.429 0.240 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.522 15.300 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.712 12.889 2.522 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.012 14.544 3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.996 14.701 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.554 13.386 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.235 11.340 1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.080 10.871 2.613 1.00 0.00 H new ATOM 739 N PRO A 52 -2.236 15.824 1.443 1.00 0.00 N ATOM 740 CA PRO A 52 -0.904 16.208 1.922 1.00 0.00 C ATOM 741 C PRO A 52 -0.838 16.291 3.443 1.00 0.00 C ATOM 742 O PRO A 52 -1.821 16.634 4.100 1.00 0.00 O ATOM 743 CB PRO A 52 -0.690 17.591 1.301 1.00 0.00 C ATOM 744 CG PRO A 52 -2.062 18.124 1.081 1.00 0.00 C ATOM 745 CD PRO A 52 -2.924 16.934 0.764 1.00 0.00 C ATOM 0 HA PRO A 52 -0.144 15.478 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.116 18.238 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.137 17.523 0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.425 18.644 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.074 18.844 0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.941 17.064 1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.996 16.765 -0.310 1.00 0.00 H new ATOM 753 N LYS A 53 0.327 15.976 3.998 1.00 0.00 N ATOM 754 CA LYS A 53 0.523 16.015 5.442 1.00 0.00 C ATOM 755 C LYS A 53 0.064 17.352 6.017 1.00 0.00 C ATOM 756 O LYS A 53 -0.651 17.395 7.016 1.00 0.00 O ATOM 757 CB LYS A 53 1.997 15.781 5.784 1.00 0.00 C ATOM 758 CG LYS A 53 2.367 14.313 5.900 1.00 0.00 C ATOM 759 CD LYS A 53 3.631 14.120 6.721 1.00 0.00 C ATOM 760 CE LYS A 53 3.326 14.062 8.210 1.00 0.00 C ATOM 761 NZ LYS A 53 4.569 14.065 9.030 1.00 0.00 N ATOM 0 H LYS A 53 1.151 15.690 3.469 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.078 15.222 5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.618 16.244 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.227 16.281 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.545 13.765 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.511 13.893 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.128 13.200 6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.324 14.938 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.706 14.914 8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.749 13.163 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.319 14.025 10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.149 13.238 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.107 14.935 8.841 1.00 0.00 H new ATOM 775 N ALA A 54 0.480 18.440 5.377 1.00 0.00 N ATOM 776 CA ALA A 54 0.108 19.778 5.823 1.00 0.00 C ATOM 777 C ALA A 54 -0.632 20.536 4.725 1.00 0.00 C ATOM 778 O ALA A 54 -1.725 21.056 4.946 1.00 0.00 O ATOM 779 CB ALA A 54 1.343 20.550 6.260 1.00 0.00 C ATOM 0 H ALA A 54 1.075 18.422 4.548 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.564 19.677 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.051 21.547 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.829 20.024 7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.035 20.634 5.422 1.00 0.00 H new ATOM 785 N GLY A 55 -0.028 20.595 3.542 1.00 0.00 N ATOM 786 CA GLY A 55 -0.644 21.293 2.429 1.00 0.00 C ATOM 787 C GLY A 55 0.173 21.191 1.156 1.00 0.00 C ATOM 788 O GLY A 55 0.800 20.169 0.876 1.00 0.00 O ATOM 0 H GLY A 55 0.877 20.172 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.638 20.883 2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.774 22.343 2.690 1.00 0.00 H new ATOM 792 N PRO A 56 0.173 22.270 0.360 1.00 0.00 N ATOM 793 CA PRO A 56 0.914 22.321 -0.904 1.00 0.00 C ATOM 794 C PRO A 56 2.424 22.359 -0.689 1.00 0.00 C ATOM 795 O PRO A 56 3.014 23.429 -0.546 1.00 0.00 O ATOM 796 CB PRO A 56 0.433 23.625 -1.545 1.00 0.00 C ATOM 797 CG PRO A 56 -0.005 24.471 -0.400 1.00 0.00 C ATOM 798 CD PRO A 56 -0.552 23.522 0.632 1.00 0.00 C ATOM 0 HA PRO A 56 0.736 21.438 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.231 24.106 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.387 23.445 -2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.829 25.046 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.765 25.188 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.369 23.881 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.629 23.393 0.529 1.00 0.00 H new ATOM 806 N GLY A 57 3.043 21.183 -0.667 1.00 0.00 N ATOM 807 CA GLY A 57 4.479 21.106 -0.470 1.00 0.00 C ATOM 808 C GLY A 57 4.884 19.914 0.376 1.00 0.00 C ATOM 809 O GLY A 57 5.933 19.311 0.149 1.00 0.00 O ATOM 0 H GLY A 57 2.577 20.283 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.973 21.044 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.827 22.022 0.008 1.00 0.00 H new ATOM 813 N SER A 58 4.051 19.574 1.355 1.00 0.00 N ATOM 814 CA SER A 58 4.331 18.451 2.241 1.00 0.00 C ATOM 815 C SER A 58 4.153 17.124 1.509 1.00 0.00 C ATOM 816 O SER A 58 3.383 17.012 0.553 1.00 0.00 O ATOM 817 CB SER A 58 3.414 18.498 3.464 1.00 0.00 C ATOM 818 OG SER A 58 2.083 18.157 3.118 1.00 0.00 O ATOM 0 H SER A 58 3.177 20.061 1.554 1.00 0.00 H new ATOM 0 HA SER A 58 5.367 18.529 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.783 17.810 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.435 19.497 3.900 1.00 0.00 H new ATOM 0 HG SER A 58 1.927 18.365 2.173 1.00 0.00 H new ATOM 824 N PRO A 59 4.879 16.094 1.967 1.00 0.00 N ATOM 825 CA PRO A 59 4.819 14.755 1.371 1.00 0.00 C ATOM 826 C PRO A 59 3.487 14.062 1.638 1.00 0.00 C ATOM 827 O PRO A 59 3.128 13.806 2.788 1.00 0.00 O ATOM 828 CB PRO A 59 5.959 14.007 2.064 1.00 0.00 C ATOM 829 CG PRO A 59 6.140 14.711 3.364 1.00 0.00 C ATOM 830 CD PRO A 59 5.815 16.156 3.101 1.00 0.00 C ATOM 0 HA PRO A 59 4.910 14.787 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.709 12.957 2.214 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.871 14.036 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.482 14.296 4.128 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.161 14.601 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.361 16.631 3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.708 16.730 2.854 1.00 0.00 H new ATOM 838 N LEU A 60 2.759 13.759 0.569 1.00 0.00 N ATOM 839 CA LEU A 60 1.466 13.093 0.688 1.00 0.00 C ATOM 840 C LEU A 60 1.495 12.039 1.790 1.00 0.00 C ATOM 841 O LEU A 60 2.544 11.465 2.086 1.00 0.00 O ATOM 842 CB LEU A 60 1.079 12.447 -0.643 1.00 0.00 C ATOM 843 CG LEU A 60 0.676 13.406 -1.764 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.488 12.651 -3.071 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.594 14.157 -1.391 1.00 0.00 C ATOM 0 H LEU A 60 3.041 13.964 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 60 0.721 13.844 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.920 11.847 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.251 11.761 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 60 1.477 14.132 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.201 13.350 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.422 12.160 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.294 11.902 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.867 14.835 -2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.403 13.445 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.424 14.730 -0.479 1.00 0.00 H new ATOM 857 N ARG A 61 0.338 11.786 2.392 1.00 0.00 N ATOM 858 CA ARG A 61 0.231 10.799 3.459 1.00 0.00 C ATOM 859 C ARG A 61 0.260 9.382 2.895 1.00 0.00 C ATOM 860 O ARG A 61 -0.240 9.129 1.798 1.00 0.00 O ATOM 861 CB ARG A 61 -1.057 11.017 4.256 1.00 0.00 C ATOM 862 CG ARG A 61 -0.955 10.581 5.709 1.00 0.00 C ATOM 863 CD ARG A 61 -0.458 11.712 6.596 1.00 0.00 C ATOM 864 NE ARG A 61 -0.614 11.404 8.014 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.642 12.328 8.969 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.527 13.611 8.656 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.788 11.970 10.237 1.00 0.00 N ATOM 0 H ARG A 61 -0.539 12.251 2.159 1.00 0.00 H new ATOM 0 HA ARG A 61 1.087 10.924 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.322 12.074 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.868 10.469 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.931 10.245 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.278 9.730 5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.593 11.906 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.006 12.625 6.361 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.707 10.426 8.287 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.417 13.890 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.549 14.319 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.879 10.984 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.809 12.681 10.968 1.00 0.00 H new ATOM 881 N VAL A 62 0.849 8.462 3.651 1.00 0.00 N ATOM 882 CA VAL A 62 0.942 7.070 3.227 1.00 0.00 C ATOM 883 C VAL A 62 0.058 6.172 4.086 1.00 0.00 C ATOM 884 O VAL A 62 -0.074 6.383 5.292 1.00 0.00 O ATOM 885 CB VAL A 62 2.394 6.558 3.296 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.481 5.126 2.793 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.318 7.469 2.502 1.00 0.00 C ATOM 0 H VAL A 62 1.269 8.655 4.560 1.00 0.00 H new ATOM 0 HA VAL A 62 0.598 7.031 2.193 1.00 0.00 H new ATOM 0 HB VAL A 62 2.716 6.571 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.514 4.783 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.851 4.485 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.140 5.082 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.339 7.093 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.000 7.491 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.278 8.477 2.915 1.00 0.00 H new ATOM 897 N THR A 63 -0.547 5.170 3.456 1.00 0.00 N ATOM 898 CA THR A 63 -1.420 4.241 4.161 1.00 0.00 C ATOM 899 C THR A 63 -0.887 2.816 4.079 1.00 0.00 C ATOM 900 O THR A 63 -0.842 2.219 3.003 1.00 0.00 O ATOM 901 CB THR A 63 -2.852 4.274 3.593 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.380 5.603 3.672 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.758 3.318 4.353 1.00 0.00 C ATOM 0 H THR A 63 -0.448 4.981 2.458 1.00 0.00 H new ATOM 0 HA THR A 63 -1.443 4.559 5.203 1.00 0.00 H new ATOM 0 HB THR A 63 -2.812 3.960 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.301 5.570 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.763 3.359 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.370 2.303 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.791 3.606 5.404 1.00 0.00 H new ATOM 911 N HIS A 64 -0.482 2.274 5.224 1.00 0.00 N ATOM 912 CA HIS A 64 0.048 0.915 5.282 1.00 0.00 C ATOM 913 C HIS A 64 -1.021 -0.065 5.755 1.00 0.00 C ATOM 914 O HIS A 64 -1.407 -0.061 6.924 1.00 0.00 O ATOM 915 CB HIS A 64 1.258 0.858 6.213 1.00 0.00 C ATOM 916 CG HIS A 64 2.261 1.940 5.960 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.004 2.022 4.801 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.643 2.990 6.724 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.799 3.075 4.864 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.599 3.680 6.020 1.00 0.00 N ATOM 0 H HIS A 64 -0.511 2.754 6.123 1.00 0.00 H new ATOM 0 HA HIS A 64 0.358 0.628 4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.915 0.926 7.245 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.745 -0.111 6.103 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.948 1.371 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.266 3.239 7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.495 3.388 4.099 1.00 0.00 H new ATOM 929 N ILE A 65 -1.496 -0.903 4.839 1.00 0.00 N ATOM 930 CA ILE A 65 -2.519 -1.888 5.163 1.00 0.00 C ATOM 931 C ILE A 65 -1.954 -3.304 5.117 1.00 0.00 C ATOM 932 O ILE A 65 -1.667 -3.837 4.044 1.00 0.00 O ATOM 933 CB ILE A 65 -3.717 -1.795 4.199 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.323 -0.390 4.238 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.764 -2.840 4.552 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.055 -0.012 2.970 1.00 0.00 C ATOM 0 H ILE A 65 -1.188 -0.919 3.867 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.859 -1.667 6.175 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.365 -1.990 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.013 -0.324 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.529 0.334 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.604 -2.761 3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.325 -3.835 4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.115 -2.674 5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.458 0.996 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.364 -0.045 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.871 -0.714 2.798 1.00 0.00 H new ATOM 948 N LYS A 66 -1.796 -3.910 6.289 1.00 0.00 N ATOM 949 CA LYS A 66 -1.267 -5.266 6.384 1.00 0.00 C ATOM 950 C LYS A 66 -2.224 -6.269 5.748 1.00 0.00 C ATOM 951 O LYS A 66 -3.288 -6.559 6.296 1.00 0.00 O ATOM 952 CB LYS A 66 -1.020 -5.637 7.848 1.00 0.00 C ATOM 953 CG LYS A 66 0.355 -5.237 8.353 1.00 0.00 C ATOM 954 CD LYS A 66 0.722 -5.985 9.624 1.00 0.00 C ATOM 955 CE LYS A 66 2.075 -5.543 10.160 1.00 0.00 C ATOM 956 NZ LYS A 66 1.972 -4.295 10.965 1.00 0.00 N ATOM 0 H LYS A 66 -2.027 -3.484 7.186 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.322 -5.300 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.779 -5.159 8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.143 -6.714 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.099 -5.439 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.376 -4.164 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.044 -5.815 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.741 -7.056 9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.499 -6.337 10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.761 -5.383 9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.922 -3.897 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.381 -3.604 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.541 -4.511 11.887 1.00 0.00 H new ATOM 970 N VAL A 67 -1.839 -6.797 4.591 1.00 0.00 N ATOM 971 CA VAL A 67 -2.661 -7.770 3.882 1.00 0.00 C ATOM 972 C VAL A 67 -2.514 -9.160 4.489 1.00 0.00 C ATOM 973 O VAL A 67 -1.444 -9.765 4.429 1.00 0.00 O ATOM 974 CB VAL A 67 -2.295 -7.833 2.388 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.131 -8.886 1.676 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.474 -6.469 1.738 1.00 0.00 C ATOM 0 H VAL A 67 -0.962 -6.567 4.124 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.695 -7.441 3.981 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.246 -8.117 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.858 -8.915 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.947 -9.862 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.188 -8.636 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.211 -6.532 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.513 -6.153 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.827 -5.743 2.231 1.00 0.00 H new ATOM 986 N MET A 68 -3.596 -9.662 5.076 1.00 0.00 N ATOM 987 CA MET A 68 -3.587 -10.983 5.693 1.00 0.00 C ATOM 988 C MET A 68 -3.824 -12.072 4.651 1.00 0.00 C ATOM 989 O MET A 68 -4.438 -11.826 3.612 1.00 0.00 O ATOM 990 CB MET A 68 -4.655 -11.067 6.786 1.00 0.00 C ATOM 991 CG MET A 68 -4.240 -10.409 8.092 1.00 0.00 C ATOM 992 SD MET A 68 -5.646 -10.037 9.159 1.00 0.00 S ATOM 993 CE MET A 68 -6.609 -8.970 8.090 1.00 0.00 C ATOM 0 H MET A 68 -4.490 -9.174 5.137 1.00 0.00 H new ATOM 0 HA MET A 68 -2.606 -11.140 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.570 -10.596 6.426 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.889 -12.115 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.550 -11.066 8.622 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.700 -9.488 7.875 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.984 -8.123 8.664 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.981 -8.608 7.276 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.449 -9.530 7.678 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.333 -13.273 4.935 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.490 -14.399 4.021 1.00 0.00 C ATOM 1005 C CYS A 69 -4.158 -15.578 4.721 1.00 0.00 C ATOM 1006 O CYS A 69 -3.823 -15.907 5.859 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.131 -14.824 3.463 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.170 -16.365 2.519 1.00 0.00 S ATOM 0 H CYS A 69 -2.823 -13.492 5.791 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.128 -14.080 3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.748 -14.029 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.429 -14.935 4.290 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.249 -16.403 1.794 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.103 -16.211 4.034 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.818 -17.353 4.591 1.00 0.00 C ATOM 1016 C GLU A 70 -5.836 -18.518 3.607 1.00 0.00 C ATOM 1017 O GLU A 70 -6.829 -18.749 2.918 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.251 -16.957 4.955 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.366 -16.252 6.296 1.00 0.00 C ATOM 1020 CD GLU A 70 -6.951 -17.134 7.456 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.686 -18.095 7.763 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -5.889 -16.863 8.058 1.00 0.00 O ATOM 0 H GLU A 70 -5.391 -15.952 3.090 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.295 -17.671 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.648 -16.305 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.874 -17.852 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.745 -15.356 6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.395 -15.925 6.443 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.727 -19.250 3.544 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.634 -20.382 2.642 1.00 0.00 C ATOM 1031 C GLY A 71 -4.441 -19.958 1.199 1.00 0.00 C ATOM 1032 O GLY A 71 -5.234 -20.314 0.328 1.00 0.00 O ATOM 0 H GLY A 71 -3.891 -19.078 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.802 -21.017 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.540 -20.983 2.723 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.382 -19.193 0.946 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.106 -18.732 -0.402 1.00 0.00 C ATOM 1038 C GLY A 72 -3.856 -17.460 -0.744 1.00 0.00 C ATOM 1039 O GLY A 72 -3.306 -16.558 -1.376 1.00 0.00 O ATOM 0 H GLY A 72 -2.711 -18.885 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.035 -18.560 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.378 -19.513 -1.113 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.115 -17.387 -0.326 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.943 -16.216 -0.595 1.00 0.00 C ATOM 1045 C ARG A 73 -5.564 -15.060 0.326 1.00 0.00 C ATOM 1046 O ARG A 73 -4.998 -15.268 1.399 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.423 -16.559 -0.417 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.071 -17.130 -1.668 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.260 -18.014 -1.326 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.839 -18.635 -2.514 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.550 -19.757 -2.484 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.768 -20.377 -1.333 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.044 -20.261 -3.608 1.00 0.00 N ATOM 0 H ARG A 73 -5.585 -18.124 0.200 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.770 -15.909 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.525 -17.278 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.962 -15.660 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.396 -16.315 -2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.336 -17.708 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.946 -18.790 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.021 -17.419 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.689 -18.183 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.390 -19.993 -0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.314 -21.238 -1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.878 -19.787 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.590 -21.122 -3.584 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.879 -13.842 -0.102 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.569 -12.653 0.681 1.00 0.00 C ATOM 1069 C TYR A 74 -6.841 -11.895 1.048 1.00 0.00 C ATOM 1070 O TYR A 74 -7.809 -11.876 0.287 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.622 -11.737 -0.096 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.357 -12.425 -0.556 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.594 -13.180 0.325 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.925 -12.317 -1.873 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.437 -13.810 -0.092 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.769 -12.944 -2.298 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.029 -13.689 -1.404 1.00 0.00 C ATOM 1078 OH TYR A 74 0.123 -14.315 -1.823 1.00 0.00 O ATOM 0 H TYR A 74 -6.349 -13.653 -0.987 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.080 -12.973 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.146 -11.339 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.356 -10.887 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.910 -13.276 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.502 -11.734 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.855 -14.394 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.447 -12.851 -3.325 1.00 0.00 H new ATOM 0 HH TYR A 74 0.759 -14.363 -1.079 1.00 0.00 H new ATOM 1088 N THR A 75 -6.832 -11.269 2.221 1.00 0.00 N ATOM 1089 CA THR A 75 -7.984 -10.509 2.690 1.00 0.00 C ATOM 1090 C THR A 75 -7.551 -9.210 3.359 1.00 0.00 C ATOM 1091 O THR A 75 -6.362 -8.982 3.584 1.00 0.00 O ATOM 1092 CB THR A 75 -8.830 -11.327 3.684 1.00 0.00 C ATOM 1093 OG1 THR A 75 -9.988 -10.581 4.074 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.015 -11.689 4.918 1.00 0.00 C ATOM 0 H THR A 75 -6.040 -11.273 2.863 1.00 0.00 H new ATOM 0 HA THR A 75 -8.588 -10.279 1.813 1.00 0.00 H new ATOM 0 HB THR A 75 -9.141 -12.247 3.190 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.258 -10.845 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.633 -12.266 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.150 -12.283 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.678 -10.778 5.411 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.522 -8.359 3.675 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.240 -7.083 4.321 1.00 0.00 C ATOM 1104 C VAL A 76 -9.193 -6.833 5.484 1.00 0.00 C ATOM 1105 O VAL A 76 -10.312 -6.357 5.293 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.348 -5.914 3.323 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.299 -6.046 2.231 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.747 -5.851 2.727 1.00 0.00 C ATOM 0 H VAL A 76 -9.511 -8.530 3.494 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.219 -7.137 4.698 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.164 -4.983 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.391 -5.212 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.305 -6.038 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.448 -6.983 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.806 -5.020 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.962 -6.783 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.476 -5.705 3.524 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.742 -7.158 6.693 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.567 -6.961 7.870 1.00 0.00 C ATOM 1120 C GLY A 77 -11.017 -7.330 7.631 1.00 0.00 C ATOM 1121 O GLY A 77 -11.916 -6.797 8.280 1.00 0.00 O ATOM 0 H GLY A 77 -7.820 -7.554 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.173 -7.561 8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.507 -5.918 8.181 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.247 -8.244 6.693 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.600 -8.667 6.384 1.00 0.00 C ATOM 1127 C GLY A 78 -12.696 -10.157 6.121 1.00 0.00 C ATOM 1128 O GLY A 78 -11.680 -10.848 6.044 1.00 0.00 O ATOM 0 H GLY A 78 -10.520 -8.699 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.258 -8.404 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.957 -8.123 5.509 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.921 -10.653 5.983 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.147 -12.072 5.729 1.00 0.00 C ATOM 1134 C LEU A 79 -13.893 -12.409 4.264 1.00 0.00 C ATOM 1135 O LEU A 79 -13.527 -13.536 3.931 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.576 -12.458 6.112 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.793 -12.867 7.570 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -15.693 -11.655 8.484 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.142 -13.552 7.736 1.00 0.00 C ATOM 0 H LEU A 79 -14.772 -10.094 6.043 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.447 -12.641 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.230 -11.615 5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.892 -13.283 5.473 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.012 -13.574 7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.850 -11.965 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.705 -11.206 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.453 -10.925 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.280 -13.836 8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.937 -12.868 7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.177 -14.443 7.109 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.088 -11.424 3.392 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.879 -11.617 1.962 1.00 0.00 C ATOM 1153 C GLU A 80 -12.464 -12.116 1.682 1.00 0.00 C ATOM 1154 O GLU A 80 -11.585 -12.041 2.541 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.130 -10.311 1.206 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.597 -10.055 0.905 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.928 -8.576 0.836 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.572 -7.936 -0.175 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.543 -8.061 1.793 1.00 0.00 O ATOM 0 H GLU A 80 -14.390 -10.485 3.651 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.587 -12.370 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.738 -9.480 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.573 -10.331 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.858 -10.527 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.210 -10.525 1.674 1.00 0.00 H new ATOM 1166 N THR A 81 -12.250 -12.626 0.473 1.00 0.00 N ATOM 1167 CA THR A 81 -10.944 -13.139 0.079 1.00 0.00 C ATOM 1168 C THR A 81 -10.657 -12.843 -1.389 1.00 0.00 C ATOM 1169 O THR A 81 -11.561 -12.501 -2.151 1.00 0.00 O ATOM 1170 CB THR A 81 -10.842 -14.657 0.315 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.768 -15.348 -0.530 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.124 -14.999 1.771 1.00 0.00 C ATOM 0 H THR A 81 -12.965 -12.695 -0.251 1.00 0.00 H new ATOM 0 HA THR A 81 -10.205 -12.632 0.700 1.00 0.00 H new ATOM 0 HB THR A 81 -9.827 -14.972 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.812 -16.291 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.046 -16.077 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.399 -14.495 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.129 -14.670 2.034 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.395 -12.981 -1.779 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.990 -12.729 -3.158 1.00 0.00 C ATOM 1182 C PHE A 82 -7.912 -13.717 -3.597 1.00 0.00 C ATOM 1183 O PHE A 82 -7.067 -14.124 -2.800 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.474 -11.295 -3.306 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.492 -10.252 -2.944 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.616 -9.812 -1.635 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.325 -9.712 -3.910 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.552 -8.852 -1.299 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.263 -8.752 -3.580 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.376 -8.321 -2.273 1.00 0.00 C ATOM 0 H PHE A 82 -8.635 -13.266 -1.161 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.863 -12.862 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.594 -11.167 -2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.154 -11.137 -4.336 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.975 -10.224 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.240 -10.045 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.639 -8.517 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.906 -8.340 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.107 -7.570 -2.012 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.951 -14.096 -4.869 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.979 -15.036 -5.416 1.00 0.00 C ATOM 1202 C ASP A 83 -5.558 -14.629 -5.039 1.00 0.00 C ATOM 1203 O ASP A 83 -4.768 -15.451 -4.571 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.112 -15.114 -6.937 1.00 0.00 C ATOM 1205 CG ASP A 83 -6.511 -16.383 -7.507 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -7.242 -17.390 -7.614 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.309 -16.370 -7.846 1.00 0.00 O ATOM 0 H ASP A 83 -8.645 -13.767 -5.541 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.182 -16.019 -4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.166 -15.060 -7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.622 -14.250 -7.386 1.00 0.00 H new ATOM 1212 N SER A 84 -5.238 -13.355 -5.244 1.00 0.00 N ATOM 1213 CA SER A 84 -3.910 -12.839 -4.931 1.00 0.00 C ATOM 1214 C SER A 84 -3.903 -11.313 -4.940 1.00 0.00 C ATOM 1215 O SER A 84 -4.938 -10.678 -5.147 1.00 0.00 O ATOM 1216 CB SER A 84 -2.883 -13.371 -5.933 1.00 0.00 C ATOM 1217 OG SER A 84 -2.482 -14.689 -5.600 1.00 0.00 O ATOM 0 H SER A 84 -5.881 -12.661 -5.626 1.00 0.00 H new ATOM 0 HA SER A 84 -3.642 -13.180 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.309 -13.360 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.012 -12.716 -5.949 1.00 0.00 H new ATOM 0 HG SER A 84 -3.104 -15.064 -4.942 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.731 -10.732 -4.715 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.588 -9.281 -4.696 1.00 0.00 C ATOM 1225 C LEU A 85 -3.262 -8.652 -5.911 1.00 0.00 C ATOM 1226 O LEU A 85 -3.804 -7.549 -5.834 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.108 -8.895 -4.664 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.486 -8.740 -3.276 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.194 -7.646 -2.493 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.534 -10.058 -2.519 1.00 0.00 C ATOM 0 H LEU A 85 -1.865 -11.243 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.075 -8.904 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.544 -9.651 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.986 -7.955 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 85 0.559 -8.453 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.738 -7.550 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.105 -6.700 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.248 -7.902 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.087 -9.928 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.571 -10.376 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.021 -10.816 -3.072 1.00 0.00 H new ATOM 1242 N THR A 86 -3.226 -9.362 -7.035 1.00 0.00 N ATOM 1243 CA THR A 86 -3.834 -8.874 -8.267 1.00 0.00 C ATOM 1244 C THR A 86 -5.347 -8.755 -8.123 1.00 0.00 C ATOM 1245 O THR A 86 -5.913 -7.674 -8.290 1.00 0.00 O ATOM 1246 CB THR A 86 -3.514 -9.798 -9.456 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.096 -9.931 -9.606 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.117 -9.255 -10.742 1.00 0.00 C ATOM 0 H THR A 86 -2.782 -10.277 -7.117 1.00 0.00 H new ATOM 0 HA THR A 86 -3.411 -7.888 -8.459 1.00 0.00 H new ATOM 0 HB THR A 86 -3.951 -10.776 -9.254 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.644 -9.252 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.877 -9.925 -11.568 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.199 -9.184 -10.635 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.707 -8.266 -10.947 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.996 -9.872 -7.814 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.445 -9.892 -7.646 1.00 0.00 C ATOM 1258 C ASP A 87 -7.878 -8.930 -6.544 1.00 0.00 C ATOM 1259 O ASP A 87 -8.862 -8.203 -6.691 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.922 -11.308 -7.320 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.375 -11.531 -7.695 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.810 -10.986 -8.730 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.075 -12.251 -6.953 1.00 0.00 O ATOM 0 H ASP A 87 -5.542 -10.775 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.899 -9.570 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.299 -12.029 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.792 -11.496 -6.254 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.139 -8.932 -5.440 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.447 -8.059 -4.312 1.00 0.00 C ATOM 1270 C LEU A 88 -7.293 -6.592 -4.700 1.00 0.00 C ATOM 1271 O LEU A 88 -8.259 -5.829 -4.680 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.535 -8.384 -3.128 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.798 -7.598 -1.843 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.414 -8.422 -0.625 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.038 -6.280 -1.859 1.00 0.00 C ATOM 0 H LEU A 88 -6.323 -9.528 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.484 -8.231 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.627 -9.447 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.503 -8.210 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.864 -7.379 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.608 -7.846 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.003 -9.339 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.354 -8.673 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.237 -5.734 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.969 -6.477 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.363 -5.683 -2.711 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.073 -6.205 -5.057 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.794 -4.829 -5.454 1.00 0.00 C ATOM 1289 C VAL A 89 -6.757 -4.363 -6.538 1.00 0.00 C ATOM 1290 O VAL A 89 -7.505 -3.405 -6.347 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.349 -4.676 -5.966 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.091 -3.246 -6.415 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.356 -5.093 -4.891 1.00 0.00 C ATOM 0 H VAL A 89 -5.262 -6.824 -5.080 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.926 -4.210 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.215 -5.332 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.066 -3.157 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.780 -2.987 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.242 -2.568 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.340 -4.979 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.488 -4.464 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.528 -6.135 -4.622 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.735 -5.048 -7.677 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.608 -4.704 -8.794 1.00 0.00 C ATOM 1305 C GLU A 90 -9.027 -4.427 -8.308 1.00 0.00 C ATOM 1306 O GLU A 90 -9.557 -3.331 -8.495 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.620 -5.832 -9.827 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.405 -5.837 -10.738 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.673 -6.518 -12.066 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.402 -7.532 -12.075 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.155 -6.038 -13.096 1.00 0.00 O ATOM 0 H GLU A 90 -6.122 -5.845 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.220 -3.799 -9.261 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.678 -6.788 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.520 -5.746 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.087 -4.810 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.581 -6.342 -10.235 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.639 -5.429 -7.684 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.998 -5.295 -7.171 1.00 0.00 C ATOM 1320 C HIS A 91 -11.133 -4.041 -6.312 1.00 0.00 C ATOM 1321 O HIS A 91 -12.228 -3.503 -6.149 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.383 -6.530 -6.356 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.687 -6.389 -5.635 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.850 -7.001 -6.055 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -13.011 -5.702 -4.514 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.831 -6.695 -5.225 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.348 -5.908 -4.281 1.00 0.00 N ATOM 0 H HIS A 91 -9.215 -6.342 -7.522 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.674 -5.206 -8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.436 -7.392 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.596 -6.736 -5.630 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -12.342 -5.103 -3.914 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.854 -7.031 -5.305 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.882 -5.517 -3.505 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.013 -3.581 -5.765 1.00 0.00 N ATOM 1337 CA PHE A 92 -10.007 -2.393 -4.921 1.00 0.00 C ATOM 1338 C PHE A 92 -9.684 -1.146 -5.740 1.00 0.00 C ATOM 1339 O PHE A 92 -10.079 -0.035 -5.382 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.988 -2.550 -3.789 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.575 -3.122 -2.531 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.680 -2.535 -1.936 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -9.022 -4.248 -1.942 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.221 -3.059 -0.778 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.559 -4.777 -0.784 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.661 -4.183 -0.201 1.00 0.00 C ATOM 0 H PHE A 92 -9.098 -4.013 -5.891 1.00 0.00 H new ATOM 0 HA PHE A 92 -11.002 -2.278 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.177 -3.194 -4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.551 -1.577 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.124 -1.657 -2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.161 -4.718 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.081 -2.590 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.117 -5.654 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 92 -11.084 -4.596 0.703 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.965 -1.338 -6.840 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.589 -0.231 -7.712 1.00 0.00 C ATOM 1358 C LYS A 93 -9.820 0.389 -8.367 1.00 0.00 C ATOM 1359 O LYS A 93 -9.773 1.516 -8.858 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.614 -0.712 -8.788 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.329 -1.297 -8.228 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.163 -1.100 -9.183 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.246 -2.051 -10.367 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.156 -1.806 -11.352 1.00 0.00 N ATOM 0 H LYS A 93 -8.630 -2.251 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.102 0.530 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.108 -1.464 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.368 0.124 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.101 -0.826 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.466 -2.361 -8.035 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.155 -0.071 -9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.225 -1.260 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.190 -3.080 -10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.212 -1.936 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.247 -2.474 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.225 -0.832 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.234 -1.941 -10.890 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.922 -0.355 -8.367 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.166 0.121 -8.958 1.00 0.00 C ATOM 1380 C LYS A 94 -13.179 0.480 -7.876 1.00 0.00 C ATOM 1381 O LYS A 94 -13.907 1.467 -7.995 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.753 -0.944 -9.889 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.850 -2.320 -9.253 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.281 -3.370 -10.262 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.040 -4.506 -9.595 1.00 0.00 C ATOM 1386 NZ LYS A 94 -13.890 -5.787 -10.340 1.00 0.00 N ATOM 0 H LYS A 94 -10.978 -1.290 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.945 1.018 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.747 -0.629 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.137 -1.010 -10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.884 -2.595 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.563 -2.292 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.910 -2.908 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.404 -3.768 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.678 -4.635 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.097 -4.247 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.422 -6.536 -9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.259 -5.672 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.884 -6.048 -10.382 1.00 0.00 H new ATOM 1400 N THR A 95 -13.222 -0.326 -6.819 1.00 0.00 N ATOM 1401 CA THR A 95 -14.144 -0.092 -5.716 1.00 0.00 C ATOM 1402 C THR A 95 -13.581 0.926 -4.734 1.00 0.00 C ATOM 1403 O THR A 95 -14.209 1.946 -4.453 1.00 0.00 O ATOM 1404 CB THR A 95 -14.459 -1.397 -4.961 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.248 -1.984 -4.471 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.177 -2.387 -5.867 1.00 0.00 C ATOM 0 H THR A 95 -12.628 -1.147 -6.705 1.00 0.00 H new ATOM 0 HA THR A 95 -15.064 0.299 -6.151 1.00 0.00 H new ATOM 0 HB THR A 95 -15.112 -1.157 -4.122 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.000 -2.744 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.389 -3.301 -5.312 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.112 -1.949 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.545 -2.621 -6.723 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.390 0.644 -4.212 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.762 1.547 -3.267 1.00 0.00 C ATOM 1416 C GLY A 96 -11.694 0.967 -1.868 1.00 0.00 C ATOM 1417 O GLY A 96 -12.465 0.072 -1.523 1.00 0.00 O ATOM 0 H GLY A 96 -11.850 -0.194 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.754 1.782 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.317 2.485 -3.242 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.767 1.475 -1.062 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.602 1.000 0.305 1.00 0.00 C ATOM 1423 C ILE A 97 -10.888 2.110 1.311 1.00 0.00 C ATOM 1424 O ILE A 97 -10.443 3.244 1.141 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.180 0.459 0.545 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.924 -0.769 -0.329 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.983 0.119 2.015 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.458 -1.021 -0.604 1.00 0.00 C ATOM 0 H ILE A 97 -10.119 2.215 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.319 0.191 0.447 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.463 1.233 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.350 -1.646 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.447 -0.645 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.973 -0.262 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.128 1.015 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.706 -0.640 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.352 -1.907 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.031 -0.160 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.933 -1.177 0.338 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.632 1.774 2.361 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.976 2.744 3.394 1.00 0.00 C ATOM 1442 C GLU A 98 -11.225 2.447 4.689 1.00 0.00 C ATOM 1443 O GLU A 98 -10.918 1.293 4.990 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.484 2.733 3.652 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.909 3.622 4.809 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.342 4.101 4.680 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.141 3.408 4.017 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.664 5.168 5.242 1.00 0.00 O ATOM 0 H GLU A 98 -12.007 0.839 2.518 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.682 3.733 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.001 3.055 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.802 1.710 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.796 3.074 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.245 4.485 4.863 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.932 3.497 5.449 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.215 3.349 6.711 1.00 0.00 C ATOM 1457 C GLU A 99 -11.148 3.577 7.897 1.00 0.00 C ATOM 1458 O GLU A 99 -12.100 4.354 7.812 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.043 4.331 6.775 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.010 4.118 5.681 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.857 5.098 5.770 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.393 5.368 6.898 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.417 5.595 4.712 1.00 0.00 O ATOM 0 H GLU A 99 -11.179 4.458 5.214 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.830 2.330 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.428 5.348 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.556 4.240 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.623 3.101 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.491 4.216 4.708 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.870 2.893 9.002 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.683 3.020 10.204 1.00 0.00 C ATOM 1472 C ALA A 100 -11.925 4.485 10.550 1.00 0.00 C ATOM 1473 O ALA A 100 -13.061 4.897 10.788 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.017 2.304 11.370 1.00 0.00 C ATOM 0 H ALA A 100 -10.087 2.245 9.089 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.649 2.555 10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.636 2.407 12.262 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.901 1.247 11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.037 2.744 11.555 1.00 0.00 H new ATOM 1480 N SER A 101 -10.852 5.268 10.576 1.00 0.00 N ATOM 1481 CA SER A 101 -10.948 6.687 10.897 1.00 0.00 C ATOM 1482 C SER A 101 -11.988 7.374 10.018 1.00 0.00 C ATOM 1483 O SER A 101 -12.832 8.124 10.506 1.00 0.00 O ATOM 1484 CB SER A 101 -9.588 7.365 10.721 1.00 0.00 C ATOM 1485 OG SER A 101 -9.461 8.484 11.582 1.00 0.00 O ATOM 0 H SER A 101 -9.905 4.944 10.379 1.00 0.00 H new ATOM 0 HA SER A 101 -11.260 6.778 11.938 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.792 6.650 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.468 7.683 9.685 1.00 0.00 H new ATOM 0 HG SER A 101 -8.583 8.899 11.452 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.922 7.110 8.716 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.863 7.710 7.789 1.00 0.00 C ATOM 1493 C GLY A 102 -12.195 8.186 6.514 1.00 0.00 C ATOM 1494 O GLY A 102 -12.638 9.155 5.898 1.00 0.00 O ATOM 0 H GLY A 102 -11.234 6.491 8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.637 6.984 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.358 8.552 8.273 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.126 7.505 6.116 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.396 7.864 4.907 1.00 0.00 C ATOM 1500 C ALA A 103 -10.714 6.900 3.768 1.00 0.00 C ATOM 1501 O ALA A 103 -11.146 5.771 3.999 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.900 7.886 5.179 1.00 0.00 C ATOM 0 H ALA A 103 -10.746 6.700 6.614 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.713 8.862 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.368 8.156 4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.682 8.619 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.576 6.899 5.510 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.499 7.355 2.538 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.764 6.533 1.362 1.00 0.00 C ATOM 1510 C PHE A 104 -9.541 6.474 0.453 1.00 0.00 C ATOM 1511 O PHE A 104 -9.217 7.442 -0.235 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.963 7.086 0.588 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.273 6.477 0.998 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.624 5.205 0.576 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.155 7.178 1.805 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.829 4.644 0.952 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.362 6.621 2.185 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.699 5.352 1.758 1.00 0.00 C ATOM 0 H PHE A 104 -10.142 8.288 2.329 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.992 5.522 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.012 8.165 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.809 6.914 -0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.948 4.646 -0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.896 8.171 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.091 3.652 0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.040 7.178 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.641 4.914 2.054 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.863 5.331 0.457 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.675 5.143 -0.368 1.00 0.00 C ATOM 1530 C VAL A 105 -8.051 4.762 -1.795 1.00 0.00 C ATOM 1531 O VAL A 105 -8.887 3.884 -2.015 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.752 4.056 0.216 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.587 3.785 -0.723 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.255 4.465 1.594 1.00 0.00 C ATOM 0 H VAL A 105 -9.116 4.521 1.023 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.143 6.094 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.324 3.134 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.946 3.015 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.968 3.446 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.011 4.700 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.604 3.686 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.698 5.399 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.106 4.603 2.261 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.429 5.426 -2.762 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.700 5.158 -4.170 1.00 0.00 C ATOM 1546 C TYR A 106 -6.435 4.700 -4.890 1.00 0.00 C ATOM 1547 O TYR A 106 -5.360 5.271 -4.706 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.263 6.408 -4.850 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.507 6.950 -4.185 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.536 6.101 -3.795 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.657 8.310 -3.948 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.676 6.591 -3.189 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.792 8.810 -3.340 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.799 7.947 -2.963 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.933 8.440 -2.359 1.00 0.00 O ATOM 0 H TYR A 106 -6.734 6.154 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.439 4.358 -4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.497 7.184 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.490 6.175 -5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.442 5.039 -3.969 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.872 8.989 -4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.467 5.917 -2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.890 9.871 -3.161 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.861 9.413 -2.272 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.573 3.665 -5.712 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.443 3.128 -6.462 1.00 0.00 C ATOM 1567 C LEU A 107 -5.627 3.354 -7.959 1.00 0.00 C ATOM 1568 O LEU A 107 -6.306 2.579 -8.635 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.280 1.634 -6.176 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.331 1.223 -4.704 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.759 0.907 -4.288 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.423 0.028 -4.453 1.00 0.00 C ATOM 0 H LEU A 107 -7.456 3.181 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.543 3.653 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.062 1.095 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.327 1.307 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.975 2.058 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.776 0.616 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.383 1.789 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.143 0.089 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.471 -0.251 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.749 -0.812 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.397 0.290 -4.712 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.017 4.417 -8.471 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.113 4.744 -9.889 1.00 0.00 C ATOM 1586 C ARG A 108 -3.952 4.131 -10.668 1.00 0.00 C ATOM 1587 O ARG A 108 -4.146 3.552 -11.736 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.128 6.261 -10.085 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.264 6.958 -9.355 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.695 8.226 -10.075 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.561 9.095 -10.379 1.00 0.00 N ATOM 1592 CZ ARG A 108 -5.595 10.051 -11.301 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.698 10.261 -12.004 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -4.521 10.801 -11.518 1.00 0.00 N ATOM 0 H ARG A 108 -4.451 5.067 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.045 4.326 -10.270 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.179 6.673 -9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.203 6.481 -11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.113 6.280 -9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.950 7.203 -8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.207 7.961 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.412 8.768 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.696 8.961 -9.855 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.525 9.688 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.720 10.996 -12.711 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.671 10.643 -10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.546 11.535 -12.226 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.746 4.266 -10.125 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.554 3.727 -10.770 1.00 0.00 C ATOM 1610 C GLN A 109 -0.540 3.256 -9.733 1.00 0.00 C ATOM 1611 O GLN A 109 -0.381 3.853 -8.668 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.918 4.782 -11.679 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.250 5.917 -10.918 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.216 7.030 -10.564 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.322 7.103 -11.100 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.803 7.905 -9.654 1.00 0.00 N ATOM 0 H GLN A 109 -2.569 4.743 -9.241 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.855 2.871 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.179 4.300 -12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.685 5.196 -12.333 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.196 5.524 -10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.563 6.324 -11.520 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.122 7.807 -9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.411 8.675 -9.374 1.00 0.00 H new ATOM 1625 N PRO A 110 0.161 2.157 -10.049 1.00 0.00 N ATOM 1626 CA PRO A 110 1.172 1.580 -9.157 1.00 0.00 C ATOM 1627 C PRO A 110 2.413 2.459 -9.041 1.00 0.00 C ATOM 1628 O PRO A 110 2.395 3.629 -9.424 1.00 0.00 O ATOM 1629 CB PRO A 110 1.520 0.249 -9.828 1.00 0.00 C ATOM 1630 CG PRO A 110 1.199 0.456 -11.268 1.00 0.00 C ATOM 1631 CD PRO A 110 0.023 1.393 -11.300 1.00 0.00 C ATOM 0 HA PRO A 110 0.802 1.475 -8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.572 -0.002 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.938 -0.571 -9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.050 0.880 -11.800 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.958 -0.489 -11.754 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.052 2.044 -12.174 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.922 0.851 -11.338 1.00 0.00 H new ATOM 1639 N TYR A 111 3.490 1.887 -8.513 1.00 0.00 N ATOM 1640 CA TYR A 111 4.739 2.620 -8.345 1.00 0.00 C ATOM 1641 C TYR A 111 5.930 1.772 -8.781 1.00 0.00 C ATOM 1642 O TYR A 111 6.250 0.761 -8.154 1.00 0.00 O ATOM 1643 CB TYR A 111 4.911 3.051 -6.888 1.00 0.00 C ATOM 1644 CG TYR A 111 6.211 3.774 -6.620 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.377 5.106 -6.981 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.276 3.125 -6.007 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.563 5.770 -6.739 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.466 3.782 -5.758 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.604 5.104 -6.127 1.00 0.00 C ATOM 1650 OH TYR A 111 9.789 5.762 -5.883 1.00 0.00 O ATOM 0 H TYR A 111 3.523 0.919 -8.194 1.00 0.00 H new ATOM 0 HA TYR A 111 4.697 3.508 -8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.080 3.699 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.856 2.170 -6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.563 5.631 -7.459 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.172 2.089 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.675 6.805 -7.027 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.283 3.264 -5.278 1.00 0.00 H new ATOM 0 HH TYR A 111 10.418 5.151 -5.445 1.00 0.00 H new ATOM 1660 N TYR A 112 6.584 2.191 -9.859 1.00 0.00 N ATOM 1661 CA TYR A 112 7.738 1.469 -10.380 1.00 0.00 C ATOM 1662 C TYR A 112 9.040 2.104 -9.900 1.00 0.00 C ATOM 1663 O TYR A 112 9.086 3.295 -9.591 1.00 0.00 O ATOM 1664 CB TYR A 112 7.704 1.447 -11.909 1.00 0.00 C ATOM 1665 CG TYR A 112 6.336 1.147 -12.480 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.627 0.021 -12.079 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.753 1.988 -13.420 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.377 -0.257 -12.598 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.504 1.718 -13.943 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.820 0.594 -13.530 1.00 0.00 C ATOM 1671 OH TYR A 112 2.575 0.321 -14.049 1.00 0.00 O ATOM 0 H TYR A 112 6.335 3.026 -10.388 1.00 0.00 H new ATOM 0 HA TYR A 112 7.693 0.446 -10.006 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.042 2.412 -12.286 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.411 0.699 -12.269 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.060 -0.648 -11.350 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.286 2.868 -13.747 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.839 -1.136 -12.276 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.065 2.383 -14.672 1.00 0.00 H new ATOM 0 HH TYR A 112 2.328 1.019 -14.691 1.00 0.00 H new ATOM 1681 N SER A 113 10.096 1.300 -9.839 1.00 0.00 N ATOM 1682 CA SER A 113 11.398 1.780 -9.393 1.00 0.00 C ATOM 1683 C SER A 113 12.277 2.152 -10.583 1.00 0.00 C ATOM 1684 O SER A 113 12.958 1.303 -11.156 1.00 0.00 O ATOM 1685 CB SER A 113 12.095 0.715 -8.544 1.00 0.00 C ATOM 1686 OG SER A 113 13.415 1.109 -8.214 1.00 0.00 O ATOM 0 H SER A 113 10.075 0.312 -10.093 1.00 0.00 H new ATOM 0 HA SER A 113 11.240 2.672 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.525 0.543 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.119 -0.229 -9.088 1.00 0.00 H new ATOM 0 HG SER A 113 13.838 0.412 -7.670 1.00 0.00 H new ATOM 1692 N GLY A 114 12.256 3.430 -10.950 1.00 0.00 N ATOM 1693 CA GLY A 114 13.053 3.895 -12.070 1.00 0.00 C ATOM 1694 C GLY A 114 14.055 4.958 -11.667 1.00 0.00 C ATOM 1695 O GLY A 114 13.867 5.679 -10.687 1.00 0.00 O ATOM 0 H GLY A 114 11.701 4.152 -10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.582 3.050 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.393 4.295 -12.840 1.00 0.00 H new ATOM 1699 N PRO A 115 15.149 5.066 -12.435 1.00 0.00 N ATOM 1700 CA PRO A 115 16.207 6.047 -12.170 1.00 0.00 C ATOM 1701 C PRO A 115 15.753 7.477 -12.445 1.00 0.00 C ATOM 1702 O PRO A 115 16.459 8.433 -12.126 1.00 0.00 O ATOM 1703 CB PRO A 115 17.317 5.642 -13.143 1.00 0.00 C ATOM 1704 CG PRO A 115 16.612 4.938 -14.251 1.00 0.00 C ATOM 1705 CD PRO A 115 15.440 4.241 -13.618 1.00 0.00 C ATOM 0 HA PRO A 115 16.515 6.043 -11.124 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.859 6.513 -13.510 1.00 0.00 H new ATOM 0 HB3 PRO A 115 18.047 4.991 -12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 115 16.281 5.643 -15.014 1.00 0.00 H new ATOM 0 HG3 PRO A 115 17.272 4.223 -14.742 1.00 0.00 H new ATOM 0 HD2 PRO A 115 14.587 4.195 -14.295 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.684 3.215 -13.342 1.00 0.00 H new ATOM 1713 N SER A 116 14.573 7.614 -13.037 1.00 0.00 N ATOM 1714 CA SER A 116 14.026 8.928 -13.358 1.00 0.00 C ATOM 1715 C SER A 116 12.637 9.102 -12.750 1.00 0.00 C ATOM 1716 O SER A 116 11.883 8.140 -12.613 1.00 0.00 O ATOM 1717 CB SER A 116 13.959 9.120 -14.874 1.00 0.00 C ATOM 1718 OG SER A 116 13.639 10.460 -15.206 1.00 0.00 O ATOM 0 H SER A 116 13.976 6.832 -13.305 1.00 0.00 H new ATOM 0 HA SER A 116 14.687 9.683 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.916 8.850 -15.320 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.211 8.449 -15.296 1.00 0.00 H new ATOM 0 HG SER A 116 13.604 10.556 -16.181 1.00 0.00 H new ATOM 1724 N SER A 117 12.308 10.338 -12.388 1.00 0.00 N ATOM 1725 CA SER A 117 11.012 10.640 -11.790 1.00 0.00 C ATOM 1726 C SER A 117 10.470 11.968 -12.311 1.00 0.00 C ATOM 1727 O SER A 117 11.164 12.983 -12.294 1.00 0.00 O ATOM 1728 CB SER A 117 11.128 10.685 -10.266 1.00 0.00 C ATOM 1729 OG SER A 117 11.264 9.382 -9.725 1.00 0.00 O ATOM 0 H SER A 117 12.920 11.146 -12.498 1.00 0.00 H new ATOM 0 HA SER A 117 10.316 9.849 -12.070 1.00 0.00 H new ATOM 0 HB2 SER A 117 11.988 11.292 -9.982 1.00 0.00 H new ATOM 0 HB3 SER A 117 10.245 11.166 -9.845 1.00 0.00 H new ATOM 0 HG SER A 117 11.338 9.439 -8.749 1.00 0.00 H new ATOM 1735 N GLY A 118 9.224 11.950 -12.773 1.00 0.00 N ATOM 1736 CA GLY A 118 8.608 13.158 -13.292 1.00 0.00 C ATOM 1737 C GLY A 118 9.544 13.946 -14.187 1.00 0.00 C ATOM 1738 O GLY A 118 9.870 15.086 -13.857 1.00 0.00 O ATOM 0 H GLY A 118 8.630 11.121 -12.797 1.00 0.00 H new ATOM 0 HA2 GLY A 118 7.711 12.893 -13.852 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.290 13.787 -12.460 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 11.588 10.655 14.826 1.00 0.00 N ATOM 1744 CA MET B 1 12.287 9.708 15.687 1.00 0.00 C ATOM 1745 C MET B 1 11.391 8.522 16.030 1.00 0.00 C ATOM 1746 O MET B 1 10.710 8.523 17.056 1.00 0.00 O ATOM 1747 CB MET B 1 12.751 10.399 16.970 1.00 0.00 C ATOM 1748 CG MET B 1 13.418 9.457 17.960 1.00 0.00 C ATOM 1749 SD MET B 1 15.123 9.074 17.516 1.00 0.00 S ATOM 1750 CE MET B 1 15.798 8.635 19.115 1.00 0.00 C ATOM 0 H1 MET B 1 12.217 11.453 14.606 1.00 0.00 H new ATOM 0 H2 MET B 1 11.308 10.181 13.944 1.00 0.00 H new ATOM 0 H3 MET B 1 10.740 11.007 15.314 1.00 0.00 H new ATOM 0 HA MET B 1 13.158 9.338 15.147 1.00 0.00 H new ATOM 0 HB2 MET B 1 13.449 11.196 16.712 1.00 0.00 H new ATOM 0 HB3 MET B 1 11.893 10.870 17.450 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.398 9.906 18.953 1.00 0.00 H new ATOM 0 HG3 MET B 1 12.845 8.531 18.017 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.850 8.372 19.006 1.00 0.00 H new ATOM 0 HE2 MET B 1 15.704 9.482 19.795 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.251 7.783 19.519 1.00 0.00 H new ATOM 1760 N ASP B 2 11.394 7.513 15.166 1.00 0.00 N ATOM 1761 CA ASP B 2 10.583 6.321 15.379 1.00 0.00 C ATOM 1762 C ASP B 2 11.250 5.379 16.375 1.00 0.00 C ATOM 1763 O ASP B 2 12.414 5.013 16.216 1.00 0.00 O ATOM 1764 CB ASP B 2 10.346 5.596 14.053 1.00 0.00 C ATOM 1765 CG ASP B 2 9.463 6.389 13.109 1.00 0.00 C ATOM 1766 OD1 ASP B 2 9.727 7.595 12.921 1.00 0.00 O ATOM 1767 OD2 ASP B 2 8.509 5.802 12.558 1.00 0.00 O ATOM 0 H ASP B 2 11.950 7.497 14.311 1.00 0.00 H new ATOM 0 HA ASP B 2 9.623 6.634 15.790 1.00 0.00 H new ATOM 0 HB2 ASP B 2 11.305 5.402 13.572 1.00 0.00 H new ATOM 0 HB3 ASP B 2 9.886 4.628 14.249 1.00 0.00 H new ATOM 1772 N ASN B 3 10.505 4.991 17.406 1.00 0.00 N ATOM 1773 CA ASN B 3 11.026 4.092 18.430 1.00 0.00 C ATOM 1774 C ASN B 3 10.704 2.639 18.093 1.00 0.00 C ATOM 1775 O ASN B 3 11.576 1.772 18.149 1.00 0.00 O ATOM 1776 CB ASN B 3 10.442 4.452 19.798 1.00 0.00 C ATOM 1777 CG ASN B 3 10.776 5.872 20.213 1.00 0.00 C ATOM 1778 OD1 ASN B 3 11.935 6.201 20.462 1.00 0.00 O ATOM 1779 ND2 ASN B 3 9.757 6.721 20.289 1.00 0.00 N ATOM 0 H ASN B 3 9.540 5.285 17.554 1.00 0.00 H new ATOM 0 HA ASN B 3 12.109 4.207 18.463 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.359 4.329 19.772 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.823 3.758 20.547 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.920 7.690 20.563 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.812 6.404 20.073 1.00 0.00 H new ATOM 1786 N GLN B 4 9.448 2.382 17.745 1.00 0.00 N ATOM 1787 CA GLN B 4 9.012 1.035 17.400 1.00 0.00 C ATOM 1788 C GLN B 4 8.890 0.872 15.889 1.00 0.00 C ATOM 1789 O GLN B 4 9.451 -0.055 15.307 1.00 0.00 O ATOM 1790 CB GLN B 4 7.670 0.722 18.068 1.00 0.00 C ATOM 1791 CG GLN B 4 7.789 0.406 19.550 1.00 0.00 C ATOM 1792 CD GLN B 4 7.761 1.649 20.417 1.00 0.00 C ATOM 1793 OE1 GLN B 4 8.738 1.970 21.094 1.00 0.00 O ATOM 1794 NE2 GLN B 4 6.639 2.359 20.400 1.00 0.00 N ATOM 0 H GLN B 4 8.714 3.089 17.695 1.00 0.00 H new ATOM 0 HA GLN B 4 9.763 0.334 17.764 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.002 1.573 17.939 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.209 -0.125 17.560 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.973 -0.255 19.843 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.718 -0.136 19.728 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.853 2.057 19.824 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.563 3.206 20.963 1.00 0.00 H new ATOM 1803 N GLY B 5 8.151 1.780 15.258 1.00 0.00 N ATOM 1804 CA GLY B 5 7.970 1.718 13.819 1.00 0.00 C ATOM 1805 C GLY B 5 6.769 2.518 13.352 1.00 0.00 C ATOM 1806 O GLY B 5 6.023 3.064 14.165 1.00 0.00 O ATOM 0 H GLY B 5 7.675 2.557 15.717 1.00 0.00 H new ATOM 0 HA2 GLY B 5 8.867 2.093 13.326 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.851 0.678 13.515 1.00 0.00 H new ATOM 1810 N VAL B 6 6.583 2.591 12.038 1.00 0.00 N ATOM 1811 CA VAL B 6 5.466 3.332 11.464 1.00 0.00 C ATOM 1812 C VAL B 6 4.143 2.622 11.728 1.00 0.00 C ATOM 1813 O VAL B 6 4.072 1.392 11.708 1.00 0.00 O ATOM 1814 CB VAL B 6 5.639 3.521 9.946 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.909 4.304 9.646 1.00 0.00 C ATOM 1816 CG2 VAL B 6 5.656 2.173 9.239 1.00 0.00 C ATOM 0 H VAL B 6 7.191 2.146 11.351 1.00 0.00 H new ATOM 0 HA VAL B 6 5.454 4.310 11.946 1.00 0.00 H new ATOM 0 HB VAL B 6 4.790 4.093 9.570 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.014 4.428 8.568 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.853 5.284 10.120 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.771 3.762 10.035 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.779 2.326 8.167 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.484 1.574 9.617 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.717 1.652 9.426 1.00 0.00 H new ATOM 1826 N ILE B 7 3.097 3.403 11.975 1.00 0.00 N ATOM 1827 CA ILE B 7 1.776 2.850 12.242 1.00 0.00 C ATOM 1828 C ILE B 7 1.137 2.311 10.966 1.00 0.00 C ATOM 1829 O ILE B 7 1.395 2.812 9.871 1.00 0.00 O ATOM 1830 CB ILE B 7 0.840 3.901 12.866 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.522 4.581 14.055 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.469 3.256 13.298 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.607 3.705 15.286 1.00 0.00 C ATOM 0 H ILE B 7 3.139 4.422 11.996 1.00 0.00 H new ATOM 0 HA ILE B 7 1.914 2.033 12.950 1.00 0.00 H new ATOM 0 HB ILE B 7 0.618 4.659 12.115 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.528 4.882 13.763 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.977 5.491 14.304 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.120 4.012 13.737 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.960 2.814 12.431 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.266 2.479 14.035 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.102 4.252 16.088 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.603 3.425 15.603 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.178 2.806 15.054 1.00 0.00 H new HETATM 1845 N PTR B 8 0.302 1.288 11.115 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.372 0.681 9.974 1.00 0.00 C HETATM 1847 C PTR B 8 -1.876 0.936 10.032 1.00 0.00 C HETATM 1848 O PTR B 8 -2.588 0.334 10.837 1.00 0.00 O HETATM 1849 CB PTR B 8 -0.100 -0.824 9.935 1.00 0.00 C HETATM 1850 CG PTR B 8 1.218 -1.184 9.289 1.00 0.00 C HETATM 1851 CD1 PTR B 8 1.262 -1.973 8.147 1.00 0.00 C HETATM 1852 CD2 PTR B 8 2.421 -0.736 9.821 1.00 0.00 C HETATM 1853 CE1 PTR B 8 2.465 -2.305 7.554 1.00 0.00 C HETATM 1854 CE2 PTR B 8 3.629 -1.061 9.234 1.00 0.00 C HETATM 1855 CZ PTR B 8 3.645 -1.846 8.101 1.00 0.00 C HETATM 1856 OH PTR B 8 4.846 -2.174 7.513 1.00 0.00 O HETATM 1857 P PTR B 8 5.839 -3.316 8.031 1.00 0.00 P HETATM 1858 O1P PTR B 8 6.275 -4.161 6.897 1.00 0.00 O HETATM 1859 O2P PTR B 8 7.031 -2.703 8.660 1.00 0.00 O HETATM 1860 O3P PTR B 8 5.155 -4.169 9.028 1.00 0.00 O HETATM 0 HE2 PTR B 8 4.563 -0.699 9.664 1.00 0.00 H new HETATM 0 HE1 PTR B 8 2.481 -2.926 6.659 1.00 0.00 H new HETATM 0 HD2 PTR B 8 2.412 -0.117 10.718 1.00 0.00 H new HETATM 0 HD1 PTR B 8 0.332 -2.337 7.711 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.115 -1.214 10.953 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -0.907 -1.317 9.393 1.00 0.00 H new HETATM 0 HA PTR B 8 0.022 1.138 9.066 1.00 0.00 H new ATOM 1869 N SER B 9 -2.352 1.831 9.173 1.00 0.00 N ATOM 1870 CA SER B 9 -3.770 2.169 9.128 1.00 0.00 C ATOM 1871 C SER B 9 -4.628 0.908 9.145 1.00 0.00 C ATOM 1872 O SER B 9 -4.115 -0.207 9.066 1.00 0.00 O ATOM 1873 CB SER B 9 -4.079 2.993 7.876 1.00 0.00 C ATOM 1874 OG SER B 9 -3.872 4.375 8.112 1.00 0.00 O ATOM 0 H SER B 9 -1.777 2.335 8.498 1.00 0.00 H new ATOM 0 HA SER B 9 -4.007 2.761 10.012 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.445 2.662 7.053 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.112 2.823 7.571 1.00 0.00 H new ATOM 0 HG SER B 9 -4.641 4.883 7.778 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.940 1.096 9.251 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.872 -0.025 9.278 1.00 0.00 C ATOM 1882 C ASP B 10 -8.090 0.260 8.405 1.00 0.00 C ATOM 1883 O ASP B 10 -8.161 1.293 7.738 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.315 -0.313 10.714 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.435 -1.341 11.396 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.212 -1.334 11.149 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.970 -2.154 12.178 1.00 0.00 O ATOM 0 H ASP B 10 -6.381 2.013 9.320 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.360 -0.901 8.881 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.299 0.613 11.289 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.346 -0.667 10.709 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.046 -0.663 8.412 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.261 -0.512 7.620 1.00 0.00 C ATOM 1894 C LEU B 11 -11.465 -0.235 8.515 1.00 0.00 C ATOM 1895 O LEU B 11 -11.325 -0.077 9.727 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.510 -1.770 6.787 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.442 -2.108 5.746 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.850 -3.331 4.940 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.197 -0.920 4.828 1.00 0.00 C ATOM 0 H LEU B 11 -9.003 -1.524 8.958 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.125 0.338 6.952 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.608 -2.617 7.466 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.466 -1.659 6.275 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.513 -2.336 6.268 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.078 -3.556 4.204 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.974 -4.183 5.609 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.792 -3.132 4.428 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.434 -1.179 4.094 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.122 -0.661 4.314 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.859 -0.068 5.418 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.646 -0.179 7.910 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.875 0.076 8.653 1.00 0.00 C ATOM 1913 C ASN B 12 -14.388 -1.199 9.312 1.00 0.00 C ATOM 1914 O ASN B 12 -14.702 -1.213 10.503 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.947 0.651 7.724 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.798 -0.431 7.086 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.938 -0.659 7.493 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -15.247 -1.102 6.082 1.00 0.00 N ATOM 0 H ASN B 12 -12.779 -0.307 6.907 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.653 0.802 9.435 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.588 1.328 8.288 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.469 1.242 6.943 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.771 -1.841 5.614 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.299 -0.879 5.779 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.469 -2.271 8.531 1.00 0.00 N ATOM 1926 CA LEU B 13 -14.943 -3.554 9.039 1.00 0.00 C ATOM 1927 C LEU B 13 -14.362 -3.840 10.420 1.00 0.00 C ATOM 1928 O LEU B 13 -15.081 -4.145 11.372 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.566 -4.678 8.072 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.372 -4.270 6.611 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -12.926 -3.872 6.357 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.788 -5.399 5.681 1.00 0.00 C ATOM 0 H LEU B 13 -14.213 -2.277 7.544 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.029 -3.505 9.124 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.644 -5.140 8.425 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.342 -5.442 8.115 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.007 -3.408 6.407 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.806 -3.585 5.312 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.662 -3.030 6.998 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -12.272 -4.715 6.579 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.643 -5.090 4.646 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -14.181 -6.281 5.885 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.839 -5.637 5.845 1.00 0.00 H new ATOM 1944 N PRO B 14 -13.030 -3.740 10.535 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.323 -3.982 11.796 1.00 0.00 C ATOM 1946 C PRO B 14 -12.593 -2.893 12.829 1.00 0.00 C ATOM 1947 O PRO B 14 -12.789 -1.724 12.499 1.00 0.00 O ATOM 1948 CB PRO B 14 -10.849 -3.975 11.385 1.00 0.00 C ATOM 1949 CG PRO B 14 -10.805 -3.143 10.150 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.110 -3.381 9.442 1.00 0.00 C ATOM 0 HA PRO B 14 -12.642 -4.910 12.270 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.221 -3.553 12.170 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.486 -4.985 11.195 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.681 -2.088 10.395 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -9.962 -3.425 9.519 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.446 -2.491 8.909 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.028 -4.181 8.706 1.00 0.00 H new ATOM 1958 N PRO B 15 -12.603 -3.284 14.113 1.00 0.00 N ATOM 1959 CA PRO B 15 -12.847 -2.355 15.222 1.00 0.00 C ATOM 1960 C PRO B 15 -11.692 -1.381 15.425 1.00 0.00 C ATOM 1961 O PRO B 15 -10.525 -1.749 15.293 1.00 0.00 O ATOM 1962 CB PRO B 15 -12.988 -3.279 16.433 1.00 0.00 C ATOM 1963 CG PRO B 15 -12.220 -4.503 16.068 1.00 0.00 C ATOM 1964 CD PRO B 15 -12.378 -4.662 14.581 1.00 0.00 C ATOM 0 HA PRO B 15 -13.720 -1.727 15.045 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -12.587 -2.814 17.334 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.034 -3.513 16.633 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -11.170 -4.400 16.340 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -12.602 -5.376 16.597 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -11.489 -5.101 14.127 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.217 -5.313 14.333 1.00 0.00 H new TER 1972 PRO B 15