USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=35 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 66:sc= 0.675 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.152 K(o=0.52,f=-2.1) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -0.21 K(o=-0.21,f=-0.99) USER MOD Set 3.1: A 39 GLN : amide:sc=-0.00311 X(o=-0.0037,f=-0.0027) USER MOD Set 3.2: A 66 LYS NZ :NH3+ -115:sc=-0.000593 (180deg=-0.0977) USER MOD Set 4.1: A 10 HIS : no HD1:sc=-0.00582 K(o=-0.0075,f=-2.4!) USER MOD Set 4.2: A 13 MET CE :methyl -168:sc=-0.00172 (180deg=-0.179) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -10:sc= 0.121 USER MOD Single : A 12 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.53! C(o=-1.5!,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 20:sc= 0.0963 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -29:sc= -0.789 USER MOD Single : A 51 GLN : amide:sc= -0.839 K(o=-0.84,f=-0.27) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -57:sc= 0.753 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -115:sc= -1.75! (180deg=-2.16!) USER MOD Single : A 69 CYS SG : rot 36:sc= 1.07 USER MOD Single : A 74 TYR OH : rot -48:sc= 0.643 USER MOD Single : A 75 THR OG1 : rot -159:sc= 1.03 USER MOD Single : A 81 THR OG1 : rot -160:sc= 0 USER MOD Single : A 84 SER OG : rot 65:sc= 1.24 USER MOD Single : A 86 THR OG1 : rot -28:sc= 0.0596 USER MOD Single : A 91 HIS : no HD1:sc= -0.943 K(o=-0.94,f=-0.39) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00152) USER MOD Single : A 95 THR OG1 : rot -103:sc= 0.844 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 59:sc= -0.23 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0133 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 28:sc= 1.1 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+ -124:sc= 1.09 (180deg=-0.148) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 4 GLN : amide:sc= -0.686 K(o=-0.69,f=-6.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -3.93! C(o=-3.9!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.906 -10.480 -9.066 1.00 0.00 N ATOM 2 CA GLY A 1 11.560 -10.005 -8.803 1.00 0.00 C ATOM 3 C GLY A 1 10.498 -10.942 -9.345 1.00 0.00 C ATOM 4 O GLY A 1 10.148 -11.931 -8.700 1.00 0.00 O ATOM 0 H1 GLY A 1 13.595 -9.805 -8.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.040 -11.409 -8.618 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.049 -10.567 -10.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.423 -9.888 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.432 -9.019 -9.250 1.00 0.00 H new ATOM 8 N SER A 2 9.985 -10.631 -10.530 1.00 0.00 N ATOM 9 CA SER A 2 8.954 -11.451 -11.156 1.00 0.00 C ATOM 10 C SER A 2 9.415 -11.958 -12.518 1.00 0.00 C ATOM 11 O SER A 2 9.731 -11.172 -13.411 1.00 0.00 O ATOM 12 CB SER A 2 7.659 -10.650 -11.307 1.00 0.00 C ATOM 13 OG SER A 2 6.599 -11.474 -11.759 1.00 0.00 O ATOM 0 H SER A 2 10.266 -9.817 -11.077 1.00 0.00 H new ATOM 0 HA SER A 2 8.768 -12.311 -10.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.392 -10.201 -10.350 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.814 -9.832 -12.011 1.00 0.00 H new ATOM 0 HG SER A 2 5.783 -10.939 -11.846 1.00 0.00 H new ATOM 19 N SER A 3 9.449 -13.278 -12.670 1.00 0.00 N ATOM 20 CA SER A 3 9.875 -13.893 -13.923 1.00 0.00 C ATOM 21 C SER A 3 9.041 -13.377 -15.091 1.00 0.00 C ATOM 22 O SER A 3 7.941 -13.864 -15.348 1.00 0.00 O ATOM 23 CB SER A 3 9.760 -15.415 -13.833 1.00 0.00 C ATOM 24 OG SER A 3 10.934 -15.984 -13.281 1.00 0.00 O ATOM 0 H SER A 3 9.187 -13.942 -11.942 1.00 0.00 H new ATOM 0 HA SER A 3 10.917 -13.624 -14.096 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.900 -15.682 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.584 -15.829 -14.826 1.00 0.00 H new ATOM 0 HG SER A 3 10.834 -16.958 -13.233 1.00 0.00 H new ATOM 30 N GLY A 4 9.575 -12.384 -15.798 1.00 0.00 N ATOM 31 CA GLY A 4 8.867 -11.817 -16.931 1.00 0.00 C ATOM 32 C GLY A 4 8.432 -10.386 -16.686 1.00 0.00 C ATOM 33 O GLY A 4 9.157 -9.607 -16.067 1.00 0.00 O ATOM 0 H GLY A 4 10.484 -11.963 -15.606 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.509 -11.853 -17.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.991 -12.427 -17.150 1.00 0.00 H new ATOM 37 N SER A 5 7.246 -10.038 -17.174 1.00 0.00 N ATOM 38 CA SER A 5 6.718 -8.688 -17.010 1.00 0.00 C ATOM 39 C SER A 5 6.691 -8.292 -15.537 1.00 0.00 C ATOM 40 O SER A 5 6.185 -9.032 -14.692 1.00 0.00 O ATOM 41 CB SER A 5 5.310 -8.595 -17.600 1.00 0.00 C ATOM 42 OG SER A 5 4.807 -7.272 -17.512 1.00 0.00 O ATOM 0 H SER A 5 6.632 -10.672 -17.686 1.00 0.00 H new ATOM 0 HA SER A 5 7.374 -7.999 -17.542 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.327 -8.912 -18.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.644 -9.277 -17.070 1.00 0.00 H new ATOM 0 HG SER A 5 3.907 -7.238 -17.897 1.00 0.00 H new ATOM 48 N SER A 6 7.239 -7.119 -15.236 1.00 0.00 N ATOM 49 CA SER A 6 7.283 -6.624 -13.865 1.00 0.00 C ATOM 50 C SER A 6 5.935 -6.038 -13.456 1.00 0.00 C ATOM 51 O SER A 6 5.136 -5.640 -14.302 1.00 0.00 O ATOM 52 CB SER A 6 8.378 -5.566 -13.716 1.00 0.00 C ATOM 53 OG SER A 6 8.677 -5.331 -12.352 1.00 0.00 O ATOM 0 H SER A 6 7.659 -6.493 -15.924 1.00 0.00 H new ATOM 0 HA SER A 6 7.509 -7.465 -13.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.277 -5.893 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.057 -4.637 -14.187 1.00 0.00 H new ATOM 0 HG SER A 6 9.381 -4.652 -12.284 1.00 0.00 H new ATOM 59 N GLY A 7 5.689 -5.990 -12.150 1.00 0.00 N ATOM 60 CA GLY A 7 4.437 -5.452 -11.650 1.00 0.00 C ATOM 61 C GLY A 7 4.643 -4.446 -10.536 1.00 0.00 C ATOM 62 O GLY A 7 5.564 -3.631 -10.588 1.00 0.00 O ATOM 0 H GLY A 7 6.334 -6.314 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.896 -4.977 -12.469 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.813 -6.269 -11.287 1.00 0.00 H new ATOM 66 N TRP A 8 3.782 -4.501 -9.526 1.00 0.00 N ATOM 67 CA TRP A 8 3.873 -3.585 -8.394 1.00 0.00 C ATOM 68 C TRP A 8 4.380 -4.306 -7.150 1.00 0.00 C ATOM 69 O TRP A 8 4.055 -3.925 -6.025 1.00 0.00 O ATOM 70 CB TRP A 8 2.509 -2.952 -8.112 1.00 0.00 C ATOM 71 CG TRP A 8 1.357 -3.825 -8.507 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.378 -3.529 -9.413 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.064 -5.135 -8.009 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.507 -4.576 -9.506 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.108 -5.574 -8.656 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.678 -5.980 -7.081 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.676 -6.820 -8.402 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.112 -7.216 -6.830 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.054 -7.627 -7.489 1.00 0.00 C ATOM 0 H TRP A 8 3.014 -5.169 -9.467 1.00 0.00 H new ATOM 0 HA TRP A 8 4.584 -2.799 -8.651 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.435 -2.724 -7.049 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.438 -2.005 -8.647 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.310 -2.608 -9.973 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.328 -4.606 -10.110 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.578 -5.673 -6.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.576 -7.138 -8.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.577 -7.877 -6.113 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.470 -8.600 -7.272 1.00 0.00 H new ATOM 90 N TYR A 9 5.177 -5.348 -7.358 1.00 0.00 N ATOM 91 CA TYR A 9 5.726 -6.124 -6.252 1.00 0.00 C ATOM 92 C TYR A 9 7.186 -5.756 -6.002 1.00 0.00 C ATOM 93 O TYR A 9 8.056 -6.018 -6.832 1.00 0.00 O ATOM 94 CB TYR A 9 5.609 -7.621 -6.545 1.00 0.00 C ATOM 95 CG TYR A 9 5.654 -8.485 -5.304 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.554 -8.580 -4.461 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.797 -9.204 -4.977 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.591 -9.368 -3.327 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.842 -9.996 -3.845 1.00 0.00 C ATOM 100 CZ TYR A 9 5.736 -10.074 -3.023 1.00 0.00 C ATOM 101 OH TYR A 9 5.778 -10.860 -1.894 1.00 0.00 O ATOM 0 H TYR A 9 5.457 -5.675 -8.283 1.00 0.00 H new ATOM 0 HA TYR A 9 5.152 -5.890 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.674 -7.807 -7.074 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.418 -7.917 -7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.655 -8.029 -4.696 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.664 -9.143 -5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.727 -9.431 -2.682 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.737 -10.550 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 9 4.987 -10.683 -1.343 1.00 0.00 H new ATOM 111 N HIS A 10 7.445 -5.148 -4.849 1.00 0.00 N ATOM 112 CA HIS A 10 8.800 -4.745 -4.485 1.00 0.00 C ATOM 113 C HIS A 10 9.522 -5.868 -3.750 1.00 0.00 C ATOM 114 O HIS A 10 10.595 -6.306 -4.163 1.00 0.00 O ATOM 115 CB HIS A 10 8.763 -3.489 -3.613 1.00 0.00 C ATOM 116 CG HIS A 10 8.380 -2.250 -4.364 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.225 -1.172 -4.515 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.235 -1.924 -5.006 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.615 -0.233 -5.219 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.406 -0.665 -5.529 1.00 0.00 N ATOM 0 H HIS A 10 6.736 -4.923 -4.151 1.00 0.00 H new ATOM 0 HA HIS A 10 9.347 -4.526 -5.402 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.056 -3.643 -2.798 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.744 -3.341 -3.161 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.351 -2.539 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.034 0.724 -5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.712 -0.148 -6.069 1.00 0.00 H new ATOM 129 N GLY A 11 8.927 -6.332 -2.654 1.00 0.00 N ATOM 130 CA GLY A 11 9.529 -7.400 -1.878 1.00 0.00 C ATOM 131 C GLY A 11 10.128 -6.905 -0.577 1.00 0.00 C ATOM 132 O GLY A 11 9.405 -6.481 0.326 1.00 0.00 O ATOM 0 H GLY A 11 8.039 -5.987 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.775 -8.157 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.305 -7.883 -2.471 1.00 0.00 H new ATOM 136 N HIS A 12 11.453 -6.958 -0.479 1.00 0.00 N ATOM 137 CA HIS A 12 12.149 -6.512 0.722 1.00 0.00 C ATOM 138 C HIS A 12 12.224 -4.989 0.773 1.00 0.00 C ATOM 139 O HIS A 12 12.690 -4.350 -0.170 1.00 0.00 O ATOM 140 CB HIS A 12 13.556 -7.106 0.772 1.00 0.00 C ATOM 141 CG HIS A 12 13.574 -8.591 0.962 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.622 -9.389 0.557 1.00 0.00 N ATOM 143 CD2 HIS A 12 12.663 -9.423 1.520 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.356 -10.648 0.855 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.172 -10.696 1.441 1.00 0.00 N ATOM 0 H HIS A 12 12.066 -7.305 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 12 11.586 -6.859 1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.078 -6.860 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.110 -6.637 1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.713 -9.138 1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.997 -11.494 0.654 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.712 -11.541 1.779 1.00 0.00 H new ATOM 154 N MET A 13 11.761 -4.415 1.878 1.00 0.00 N ATOM 155 CA MET A 13 11.777 -2.966 2.051 1.00 0.00 C ATOM 156 C MET A 13 11.323 -2.580 3.455 1.00 0.00 C ATOM 157 O MET A 13 10.376 -3.155 3.991 1.00 0.00 O ATOM 158 CB MET A 13 10.877 -2.297 1.010 1.00 0.00 C ATOM 159 CG MET A 13 10.729 -0.798 1.208 1.00 0.00 C ATOM 160 SD MET A 13 9.230 -0.141 0.451 1.00 0.00 S ATOM 161 CE MET A 13 9.744 -0.011 -1.260 1.00 0.00 C ATOM 0 H MET A 13 11.370 -4.930 2.667 1.00 0.00 H new ATOM 0 HA MET A 13 12.801 -2.620 1.912 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.283 -2.486 0.016 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.890 -2.759 1.044 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.720 -0.576 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.597 -0.292 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.011 0.573 -1.817 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.715 0.481 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.819 -1.008 -1.694 1.00 0.00 H new ATOM 171 N SER A 14 12.006 -1.605 4.046 1.00 0.00 N ATOM 172 CA SER A 14 11.675 -1.146 5.390 1.00 0.00 C ATOM 173 C SER A 14 10.425 -0.272 5.373 1.00 0.00 C ATOM 174 O SER A 14 10.243 0.552 4.478 1.00 0.00 O ATOM 175 CB SER A 14 12.847 -0.368 5.989 1.00 0.00 C ATOM 176 OG SER A 14 12.597 -0.030 7.342 1.00 0.00 O ATOM 0 H SER A 14 12.792 -1.118 3.615 1.00 0.00 H new ATOM 0 HA SER A 14 11.476 -2.022 6.008 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.756 -0.966 5.922 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.019 0.539 5.410 1.00 0.00 H new ATOM 0 HG SER A 14 13.362 0.465 7.702 1.00 0.00 H new ATOM 182 N GLY A 15 9.566 -0.458 6.371 1.00 0.00 N ATOM 183 CA GLY A 15 8.344 0.321 6.453 1.00 0.00 C ATOM 184 C GLY A 15 8.572 1.791 6.166 1.00 0.00 C ATOM 185 O GLY A 15 7.969 2.354 5.254 1.00 0.00 O ATOM 0 H GLY A 15 9.695 -1.134 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.616 -0.075 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.913 0.211 7.448 1.00 0.00 H new ATOM 189 N GLY A 16 9.447 2.416 6.950 1.00 0.00 N ATOM 190 CA GLY A 16 9.736 3.825 6.760 1.00 0.00 C ATOM 191 C GLY A 16 10.183 4.141 5.347 1.00 0.00 C ATOM 192 O GLY A 16 9.975 5.251 4.857 1.00 0.00 O ATOM 0 H GLY A 16 9.960 1.972 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.847 4.410 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.513 4.131 7.460 1.00 0.00 H new ATOM 196 N GLN A 17 10.800 3.163 4.691 1.00 0.00 N ATOM 197 CA GLN A 17 11.278 3.344 3.325 1.00 0.00 C ATOM 198 C GLN A 17 10.122 3.641 2.377 1.00 0.00 C ATOM 199 O GLN A 17 10.046 4.724 1.796 1.00 0.00 O ATOM 200 CB GLN A 17 12.029 2.096 2.857 1.00 0.00 C ATOM 201 CG GLN A 17 13.092 2.383 1.809 1.00 0.00 C ATOM 202 CD GLN A 17 14.152 1.301 1.740 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.469 0.662 2.743 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.705 1.089 0.552 1.00 0.00 N ATOM 0 H GLN A 17 10.980 2.239 5.083 1.00 0.00 H new ATOM 0 HA GLN A 17 11.958 4.196 3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.499 1.620 3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.313 1.382 2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.617 2.483 0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.567 3.338 2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.412 1.642 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.423 0.373 0.444 1.00 0.00 H new ATOM 213 N ALA A 18 9.224 2.674 2.226 1.00 0.00 N ATOM 214 CA ALA A 18 8.069 2.834 1.349 1.00 0.00 C ATOM 215 C ALA A 18 7.546 4.266 1.385 1.00 0.00 C ATOM 216 O ALA A 18 7.366 4.896 0.344 1.00 0.00 O ATOM 217 CB ALA A 18 6.970 1.858 1.741 1.00 0.00 C ATOM 0 H ALA A 18 9.273 1.772 2.699 1.00 0.00 H new ATOM 0 HA ALA A 18 8.386 2.617 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.114 1.988 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.343 0.837 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.664 2.048 2.770 1.00 0.00 H new ATOM 223 N GLU A 19 7.305 4.772 2.590 1.00 0.00 N ATOM 224 CA GLU A 19 6.801 6.130 2.761 1.00 0.00 C ATOM 225 C GLU A 19 7.571 7.110 1.880 1.00 0.00 C ATOM 226 O GLU A 19 6.977 7.922 1.169 1.00 0.00 O ATOM 227 CB GLU A 19 6.903 6.555 4.227 1.00 0.00 C ATOM 228 CG GLU A 19 5.663 6.234 5.042 1.00 0.00 C ATOM 229 CD GLU A 19 5.640 6.951 6.377 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.201 8.064 6.464 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.061 6.399 7.338 1.00 0.00 O ATOM 0 H GLU A 19 7.450 4.263 3.462 1.00 0.00 H new ATOM 0 HA GLU A 19 5.754 6.143 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.763 6.062 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.090 7.628 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.776 6.509 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.612 5.158 5.211 1.00 0.00 H new ATOM 238 N THR A 20 8.897 7.029 1.932 1.00 0.00 N ATOM 239 CA THR A 20 9.748 7.909 1.141 1.00 0.00 C ATOM 240 C THR A 20 9.498 7.721 -0.350 1.00 0.00 C ATOM 241 O THR A 20 9.006 8.625 -1.027 1.00 0.00 O ATOM 242 CB THR A 20 11.239 7.661 1.436 1.00 0.00 C ATOM 243 OG1 THR A 20 11.496 7.823 2.836 1.00 0.00 O ATOM 244 CG2 THR A 20 12.115 8.617 0.640 1.00 0.00 C ATOM 0 H THR A 20 9.405 6.363 2.514 1.00 0.00 H new ATOM 0 HA THR A 20 9.495 8.931 1.422 1.00 0.00 H new ATOM 0 HB THR A 20 11.480 6.640 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.446 7.662 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.164 8.423 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.939 8.470 -0.426 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.871 9.644 0.910 1.00 0.00 H new ATOM 252 N LEU A 21 9.840 6.542 -0.858 1.00 0.00 N ATOM 253 CA LEU A 21 9.651 6.235 -2.272 1.00 0.00 C ATOM 254 C LEU A 21 8.306 6.753 -2.768 1.00 0.00 C ATOM 255 O LEU A 21 8.215 7.342 -3.846 1.00 0.00 O ATOM 256 CB LEU A 21 9.746 4.725 -2.503 1.00 0.00 C ATOM 257 CG LEU A 21 11.036 4.053 -2.031 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.896 3.582 -0.593 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.395 2.889 -2.944 1.00 0.00 C ATOM 0 H LEU A 21 10.249 5.783 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 21 10.440 6.734 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.906 4.247 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.629 4.533 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 21 11.843 4.785 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.823 3.106 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.686 4.436 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.078 2.865 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.316 2.422 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.589 2.155 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.538 3.255 -3.961 1.00 0.00 H new ATOM 271 N LEU A 22 7.264 6.533 -1.974 1.00 0.00 N ATOM 272 CA LEU A 22 5.922 6.980 -2.331 1.00 0.00 C ATOM 273 C LEU A 22 5.837 8.503 -2.328 1.00 0.00 C ATOM 274 O LEU A 22 5.536 9.119 -3.351 1.00 0.00 O ATOM 275 CB LEU A 22 4.894 6.399 -1.358 1.00 0.00 C ATOM 276 CG LEU A 22 4.481 4.948 -1.605 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.726 4.396 -0.406 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.635 4.842 -2.865 1.00 0.00 C ATOM 0 H LEU A 22 7.322 6.048 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 22 5.703 6.624 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.297 6.474 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.000 7.021 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 22 5.383 4.353 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.440 3.362 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.365 4.436 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.831 4.993 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.350 3.802 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.738 5.451 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.210 5.197 -3.720 1.00 0.00 H new ATOM 290 N GLN A 23 6.106 9.104 -1.174 1.00 0.00 N ATOM 291 CA GLN A 23 6.062 10.555 -1.040 1.00 0.00 C ATOM 292 C GLN A 23 6.872 11.229 -2.143 1.00 0.00 C ATOM 293 O GLN A 23 6.340 12.021 -2.920 1.00 0.00 O ATOM 294 CB GLN A 23 6.594 10.979 0.331 1.00 0.00 C ATOM 295 CG GLN A 23 5.681 10.593 1.483 1.00 0.00 C ATOM 296 CD GLN A 23 6.293 10.893 2.837 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.514 10.928 2.985 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.445 11.111 3.835 1.00 0.00 N ATOM 0 H GLN A 23 6.357 8.609 -0.318 1.00 0.00 H new ATOM 0 HA GLN A 23 5.023 10.871 -1.132 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.573 10.527 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.737 12.060 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.736 11.129 1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.452 9.529 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.440 11.072 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.799 11.317 4.769 1.00 0.00 H new ATOM 307 N ALA A 24 8.160 10.909 -2.204 1.00 0.00 N ATOM 308 CA ALA A 24 9.042 11.481 -3.214 1.00 0.00 C ATOM 309 C ALA A 24 8.347 11.565 -4.568 1.00 0.00 C ATOM 310 O ALA A 24 8.513 12.538 -5.305 1.00 0.00 O ATOM 311 CB ALA A 24 10.320 10.663 -3.324 1.00 0.00 C ATOM 0 H ALA A 24 8.616 10.257 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 24 9.298 12.494 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.969 11.102 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.834 10.661 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.074 9.639 -3.606 1.00 0.00 H new ATOM 317 N LYS A 25 7.568 10.538 -4.892 1.00 0.00 N ATOM 318 CA LYS A 25 6.846 10.494 -6.157 1.00 0.00 C ATOM 319 C LYS A 25 5.865 11.658 -6.265 1.00 0.00 C ATOM 320 O LYS A 25 5.765 12.304 -7.307 1.00 0.00 O ATOM 321 CB LYS A 25 6.096 9.168 -6.295 1.00 0.00 C ATOM 322 CG LYS A 25 5.532 8.928 -7.685 1.00 0.00 C ATOM 323 CD LYS A 25 6.607 8.456 -8.650 1.00 0.00 C ATOM 324 CE LYS A 25 6.291 8.862 -10.080 1.00 0.00 C ATOM 325 NZ LYS A 25 6.703 10.265 -10.363 1.00 0.00 N ATOM 0 H LYS A 25 7.421 9.724 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 25 7.574 10.578 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.771 8.351 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.280 9.145 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.737 8.184 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.083 9.848 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.570 8.874 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.699 7.372 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.800 8.188 -10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.221 8.754 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.470 10.503 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.199 10.911 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.728 10.362 -10.216 1.00 0.00 H new ATOM 339 N GLY A 26 5.143 11.920 -5.180 1.00 0.00 N ATOM 340 CA GLY A 26 4.181 13.007 -5.173 1.00 0.00 C ATOM 341 C GLY A 26 2.935 12.682 -5.971 1.00 0.00 C ATOM 342 O GLY A 26 2.073 13.539 -6.164 1.00 0.00 O ATOM 0 H GLY A 26 5.207 11.399 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.901 13.234 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.647 13.904 -5.582 1.00 0.00 H new ATOM 346 N GLU A 27 2.838 11.441 -6.437 1.00 0.00 N ATOM 347 CA GLU A 27 1.688 11.007 -7.222 1.00 0.00 C ATOM 348 C GLU A 27 0.593 10.451 -6.316 1.00 0.00 C ATOM 349 O GLU A 27 0.792 9.484 -5.581 1.00 0.00 O ATOM 350 CB GLU A 27 2.109 9.948 -8.241 1.00 0.00 C ATOM 351 CG GLU A 27 2.718 10.529 -9.507 1.00 0.00 C ATOM 352 CD GLU A 27 2.504 9.642 -10.718 1.00 0.00 C ATOM 353 OE1 GLU A 27 1.812 8.611 -10.583 1.00 0.00 O ATOM 354 OE2 GLU A 27 3.029 9.978 -11.800 1.00 0.00 O ATOM 0 H GLU A 27 3.542 10.718 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 27 1.293 11.873 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.830 9.275 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.240 9.348 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.282 11.510 -9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.787 10.679 -9.356 1.00 0.00 H new ATOM 361 N PRO A 28 -0.594 11.075 -6.371 1.00 0.00 N ATOM 362 CA PRO A 28 -1.744 10.661 -5.564 1.00 0.00 C ATOM 363 C PRO A 28 -2.318 9.323 -6.017 1.00 0.00 C ATOM 364 O PRO A 28 -2.348 9.022 -7.210 1.00 0.00 O ATOM 365 CB PRO A 28 -2.760 11.783 -5.792 1.00 0.00 C ATOM 366 CG PRO A 28 -2.396 12.361 -7.116 1.00 0.00 C ATOM 367 CD PRO A 28 -0.901 12.234 -7.225 1.00 0.00 C ATOM 0 HA PRO A 28 -1.476 10.516 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.780 11.399 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.704 12.534 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.893 11.827 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.705 13.404 -7.185 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.586 12.069 -8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.395 13.135 -6.877 1.00 0.00 H new ATOM 375 N TRP A 29 -2.775 8.524 -5.058 1.00 0.00 N ATOM 376 CA TRP A 29 -3.349 7.219 -5.360 1.00 0.00 C ATOM 377 C TRP A 29 -2.279 6.259 -5.871 1.00 0.00 C ATOM 378 O TRP A 29 -2.559 5.375 -6.681 1.00 0.00 O ATOM 379 CB TRP A 29 -4.465 7.356 -6.396 1.00 0.00 C ATOM 380 CG TRP A 29 -5.350 8.542 -6.161 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.722 9.482 -7.080 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.973 8.915 -4.927 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.538 10.417 -6.491 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.708 10.092 -5.171 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.982 8.370 -3.641 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.443 10.730 -4.175 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.711 9.005 -2.653 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.435 10.174 -2.924 1.00 0.00 C ATOM 0 H TRP A 29 -2.759 8.758 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.767 6.812 -4.439 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.022 7.433 -7.389 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.072 6.451 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.419 9.489 -8.117 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.951 11.223 -6.961 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.429 7.468 -3.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.000 11.632 -4.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.723 8.593 -1.655 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.997 10.645 -2.131 1.00 0.00 H new ATOM 399 N THR A 30 -1.052 6.437 -5.392 1.00 0.00 N ATOM 400 CA THR A 30 0.059 5.588 -5.801 1.00 0.00 C ATOM 401 C THR A 30 0.222 4.402 -4.857 1.00 0.00 C ATOM 402 O THR A 30 0.844 4.518 -3.801 1.00 0.00 O ATOM 403 CB THR A 30 1.382 6.377 -5.849 1.00 0.00 C ATOM 404 OG1 THR A 30 1.294 7.423 -6.823 1.00 0.00 O ATOM 405 CG2 THR A 30 2.547 5.460 -6.187 1.00 0.00 C ATOM 0 H THR A 30 -0.803 7.162 -4.720 1.00 0.00 H new ATOM 0 HA THR A 30 -0.174 5.223 -6.801 1.00 0.00 H new ATOM 0 HB THR A 30 1.556 6.811 -4.865 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.629 8.083 -6.535 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.470 6.039 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.630 4.682 -5.428 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.377 5.000 -7.161 1.00 0.00 H new ATOM 413 N PHE A 31 -0.340 3.262 -5.245 1.00 0.00 N ATOM 414 CA PHE A 31 -0.257 2.055 -4.432 1.00 0.00 C ATOM 415 C PHE A 31 0.978 1.236 -4.798 1.00 0.00 C ATOM 416 O PHE A 31 1.533 1.382 -5.887 1.00 0.00 O ATOM 417 CB PHE A 31 -1.517 1.205 -4.612 1.00 0.00 C ATOM 418 CG PHE A 31 -1.540 0.432 -5.900 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.857 1.059 -7.094 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.245 -0.921 -5.916 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.878 0.352 -8.281 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.263 -1.634 -7.100 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.582 -0.998 -8.284 1.00 0.00 C ATOM 0 H PHE A 31 -0.857 3.149 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.176 2.356 -3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.598 0.508 -3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.392 1.854 -4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.091 2.113 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.998 -1.425 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.125 0.854 -9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.028 -2.688 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.600 -1.554 -9.210 1.00 0.00 H new ATOM 433 N LEU A 32 1.402 0.376 -3.879 1.00 0.00 N ATOM 434 CA LEU A 32 2.573 -0.466 -4.103 1.00 0.00 C ATOM 435 C LEU A 32 2.590 -1.643 -3.131 1.00 0.00 C ATOM 436 O LEU A 32 2.470 -1.463 -1.919 1.00 0.00 O ATOM 437 CB LEU A 32 3.853 0.356 -3.950 1.00 0.00 C ATOM 438 CG LEU A 32 4.387 0.509 -2.526 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.260 -0.679 -2.152 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.164 1.810 -2.385 1.00 0.00 C ATOM 0 H LEU A 32 0.954 0.243 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 32 2.520 -0.858 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.631 -0.103 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.673 1.351 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 32 3.539 0.539 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.631 -0.552 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.673 -1.595 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.103 -0.742 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.537 1.902 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.004 1.809 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.508 2.651 -2.609 1.00 0.00 H new ATOM 452 N VAL A 33 2.745 -2.847 -3.672 1.00 0.00 N ATOM 453 CA VAL A 33 2.783 -4.053 -2.854 1.00 0.00 C ATOM 454 C VAL A 33 4.207 -4.377 -2.417 1.00 0.00 C ATOM 455 O VAL A 33 5.163 -4.135 -3.154 1.00 0.00 O ATOM 456 CB VAL A 33 2.202 -5.263 -3.609 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.920 -6.408 -2.648 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.941 -4.865 -4.361 1.00 0.00 C ATOM 0 H VAL A 33 2.846 -3.013 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 33 2.172 -3.856 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 33 2.939 -5.604 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.510 -7.254 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.846 -6.709 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.201 -6.083 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.543 -5.732 -4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.197 -4.498 -3.654 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.178 -4.080 -5.079 1.00 0.00 H new ATOM 468 N ARG A 34 4.341 -4.927 -1.214 1.00 0.00 N ATOM 469 CA ARG A 34 5.650 -5.283 -0.679 1.00 0.00 C ATOM 470 C ARG A 34 5.514 -6.260 0.485 1.00 0.00 C ATOM 471 O ARG A 34 4.868 -5.959 1.487 1.00 0.00 O ATOM 472 CB ARG A 34 6.396 -4.029 -0.221 1.00 0.00 C ATOM 473 CG ARG A 34 5.593 -3.154 0.728 1.00 0.00 C ATOM 474 CD ARG A 34 6.467 -2.100 1.388 1.00 0.00 C ATOM 475 NE ARG A 34 7.143 -2.616 2.575 1.00 0.00 N ATOM 476 CZ ARG A 34 6.521 -2.883 3.718 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.214 -2.686 3.827 1.00 0.00 N ATOM 478 NH2 ARG A 34 7.206 -3.351 4.754 1.00 0.00 N ATOM 0 H ARG A 34 3.560 -5.135 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 34 6.219 -5.767 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.323 -4.327 0.270 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.673 -3.442 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.785 -2.668 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.130 -3.776 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.210 -1.745 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.854 -1.242 1.664 1.00 0.00 H new ATOM 0 HE ARG A 34 8.148 -2.781 2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.684 -2.329 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.739 -2.892 4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.211 -3.506 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.728 -3.556 5.631 1.00 0.00 H new ATOM 492 N GLU A 35 6.125 -7.432 0.342 1.00 0.00 N ATOM 493 CA GLU A 35 6.070 -8.454 1.381 1.00 0.00 C ATOM 494 C GLU A 35 6.353 -7.849 2.753 1.00 0.00 C ATOM 495 O GLU A 35 7.032 -6.829 2.866 1.00 0.00 O ATOM 496 CB GLU A 35 7.074 -9.568 1.085 1.00 0.00 C ATOM 497 CG GLU A 35 6.625 -10.937 1.569 1.00 0.00 C ATOM 498 CD GLU A 35 7.096 -11.239 2.979 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.297 -11.048 3.259 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.260 -11.669 3.802 1.00 0.00 O ATOM 0 H GLU A 35 6.663 -7.697 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 35 5.065 -8.875 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.249 -9.611 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.027 -9.321 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.537 -10.992 1.533 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.005 -11.701 0.891 1.00 0.00 H new ATOM 507 N SER A 36 5.828 -8.487 3.794 1.00 0.00 N ATOM 508 CA SER A 36 6.020 -8.010 5.159 1.00 0.00 C ATOM 509 C SER A 36 7.503 -7.968 5.516 1.00 0.00 C ATOM 510 O SER A 36 8.363 -8.252 4.680 1.00 0.00 O ATOM 511 CB SER A 36 5.272 -8.910 6.145 1.00 0.00 C ATOM 512 OG SER A 36 5.052 -8.244 7.376 1.00 0.00 O ATOM 0 H SER A 36 5.267 -9.335 3.719 1.00 0.00 H new ATOM 0 HA SER A 36 5.619 -6.998 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.317 -9.211 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.845 -9.821 6.318 1.00 0.00 H new ATOM 0 HG SER A 36 5.125 -7.276 7.242 1.00 0.00 H new ATOM 518 N LEU A 37 7.795 -7.612 6.761 1.00 0.00 N ATOM 519 CA LEU A 37 9.174 -7.532 7.231 1.00 0.00 C ATOM 520 C LEU A 37 9.453 -8.599 8.286 1.00 0.00 C ATOM 521 O LEU A 37 10.493 -9.256 8.257 1.00 0.00 O ATOM 522 CB LEU A 37 9.457 -6.143 7.807 1.00 0.00 C ATOM 523 CG LEU A 37 9.727 -5.036 6.788 1.00 0.00 C ATOM 524 CD1 LEU A 37 9.283 -3.688 7.333 1.00 0.00 C ATOM 525 CD2 LEU A 37 11.202 -5.003 6.415 1.00 0.00 C ATOM 0 H LEU A 37 7.096 -7.374 7.464 1.00 0.00 H new ATOM 0 HA LEU A 37 9.833 -7.708 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.606 -5.846 8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.318 -6.216 8.471 1.00 0.00 H new ATOM 0 HG LEU A 37 9.150 -5.248 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.483 -2.913 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.215 -3.717 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.832 -3.467 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.376 -4.209 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.799 -4.816 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.489 -5.961 5.981 1.00 0.00 H new ATOM 537 N SER A 38 8.516 -8.765 9.213 1.00 0.00 N ATOM 538 CA SER A 38 8.663 -9.752 10.278 1.00 0.00 C ATOM 539 C SER A 38 7.601 -10.842 10.158 1.00 0.00 C ATOM 540 O SER A 38 7.746 -11.928 10.718 1.00 0.00 O ATOM 541 CB SER A 38 8.562 -9.075 11.646 1.00 0.00 C ATOM 542 OG SER A 38 7.238 -8.644 11.907 1.00 0.00 O ATOM 0 H SER A 38 7.648 -8.230 9.249 1.00 0.00 H new ATOM 0 HA SER A 38 9.646 -10.213 10.180 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.881 -9.770 12.423 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.239 -8.222 11.683 1.00 0.00 H new ATOM 0 HG SER A 38 7.201 -8.216 12.788 1.00 0.00 H new ATOM 548 N GLN A 39 6.535 -10.541 9.424 1.00 0.00 N ATOM 549 CA GLN A 39 5.448 -11.495 9.231 1.00 0.00 C ATOM 550 C GLN A 39 5.702 -12.370 8.007 1.00 0.00 C ATOM 551 O GLN A 39 5.617 -11.921 6.864 1.00 0.00 O ATOM 552 CB GLN A 39 4.116 -10.758 9.078 1.00 0.00 C ATOM 553 CG GLN A 39 2.910 -11.593 9.479 1.00 0.00 C ATOM 554 CD GLN A 39 2.730 -11.673 10.982 1.00 0.00 C ATOM 555 OE1 GLN A 39 2.906 -12.732 11.584 1.00 0.00 O ATOM 556 NE2 GLN A 39 2.376 -10.550 11.597 1.00 0.00 N ATOM 0 H GLN A 39 6.400 -9.646 8.954 1.00 0.00 H new ATOM 0 HA GLN A 39 5.401 -12.137 10.111 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.139 -9.853 9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.001 -10.443 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.012 -11.166 9.032 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.020 -12.600 9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.241 -9.694 11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.239 -10.543 12.608 1.00 0.00 H new ATOM 565 N PRO A 40 6.022 -13.649 8.251 1.00 0.00 N ATOM 566 CA PRO A 40 6.295 -14.615 7.182 1.00 0.00 C ATOM 567 C PRO A 40 5.041 -14.976 6.393 1.00 0.00 C ATOM 568 O PRO A 40 4.143 -15.641 6.907 1.00 0.00 O ATOM 569 CB PRO A 40 6.825 -15.837 7.935 1.00 0.00 C ATOM 570 CG PRO A 40 6.238 -15.725 9.300 1.00 0.00 C ATOM 571 CD PRO A 40 6.142 -14.253 9.589 1.00 0.00 C ATOM 0 HA PRO A 40 6.991 -14.219 6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.522 -16.764 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.914 -15.838 7.971 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.256 -16.196 9.342 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.865 -16.227 10.037 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.279 -14.022 10.213 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.024 -13.889 10.117 1.00 0.00 H new ATOM 579 N GLY A 41 4.989 -14.533 5.140 1.00 0.00 N ATOM 580 CA GLY A 41 3.840 -14.821 4.300 1.00 0.00 C ATOM 581 C GLY A 41 2.942 -13.615 4.115 1.00 0.00 C ATOM 582 O GLY A 41 2.653 -13.215 2.986 1.00 0.00 O ATOM 0 H GLY A 41 5.720 -13.981 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.184 -15.167 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.265 -15.634 4.743 1.00 0.00 H new ATOM 586 N ASP A 42 2.497 -13.034 5.223 1.00 0.00 N ATOM 587 CA ASP A 42 1.625 -11.866 5.177 1.00 0.00 C ATOM 588 C ASP A 42 2.110 -10.865 4.133 1.00 0.00 C ATOM 589 O ASP A 42 3.244 -10.948 3.660 1.00 0.00 O ATOM 590 CB ASP A 42 1.559 -11.197 6.550 1.00 0.00 C ATOM 591 CG ASP A 42 0.443 -10.175 6.644 1.00 0.00 C ATOM 592 OD1 ASP A 42 0.669 -9.013 6.245 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.654 -10.536 7.118 1.00 0.00 O ATOM 0 H ASP A 42 2.726 -13.353 6.165 1.00 0.00 H new ATOM 0 HA ASP A 42 0.626 -12.201 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.415 -11.959 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.512 -10.711 6.760 1.00 0.00 H new ATOM 598 N PHE A 43 1.245 -9.921 3.778 1.00 0.00 N ATOM 599 CA PHE A 43 1.587 -8.906 2.788 1.00 0.00 C ATOM 600 C PHE A 43 1.151 -7.520 3.257 1.00 0.00 C ATOM 601 O PHE A 43 0.617 -7.365 4.356 1.00 0.00 O ATOM 602 CB PHE A 43 0.929 -9.231 1.445 1.00 0.00 C ATOM 603 CG PHE A 43 1.492 -10.456 0.784 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.132 -11.721 1.218 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.382 -10.343 -0.272 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.648 -12.851 0.612 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.901 -11.469 -0.883 1.00 0.00 C ATOM 608 CZ PHE A 43 2.534 -12.725 -0.439 1.00 0.00 C ATOM 0 H PHE A 43 0.303 -9.837 4.160 1.00 0.00 H new ATOM 0 HA PHE A 43 2.670 -8.905 2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.141 -9.369 1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.048 -8.379 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.440 -11.826 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.674 -9.364 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.358 -13.831 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.592 -11.367 -1.706 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.940 -13.606 -0.913 1.00 0.00 H new ATOM 618 N VAL A 44 1.382 -6.517 2.418 1.00 0.00 N ATOM 619 CA VAL A 44 1.014 -5.145 2.745 1.00 0.00 C ATOM 620 C VAL A 44 0.774 -4.324 1.484 1.00 0.00 C ATOM 621 O VAL A 44 1.399 -4.560 0.448 1.00 0.00 O ATOM 622 CB VAL A 44 2.102 -4.458 3.592 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.648 -3.072 4.023 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.454 -5.313 4.801 1.00 0.00 C ATOM 0 H VAL A 44 1.823 -6.629 1.505 1.00 0.00 H new ATOM 0 HA VAL A 44 0.091 -5.195 3.323 1.00 0.00 H new ATOM 0 HB VAL A 44 2.998 -4.346 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.430 -2.602 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.450 -2.463 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.738 -3.156 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.224 -4.813 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.565 -5.458 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.825 -6.282 4.466 1.00 0.00 H new ATOM 634 N LEU A 45 -0.132 -3.358 1.576 1.00 0.00 N ATOM 635 CA LEU A 45 -0.456 -2.500 0.441 1.00 0.00 C ATOM 636 C LEU A 45 -0.354 -1.028 0.825 1.00 0.00 C ATOM 637 O LEU A 45 -1.268 -0.470 1.432 1.00 0.00 O ATOM 638 CB LEU A 45 -1.862 -2.809 -0.074 1.00 0.00 C ATOM 639 CG LEU A 45 -2.389 -1.893 -1.179 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.709 -2.208 -2.503 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.899 -2.026 -1.308 1.00 0.00 C ATOM 0 H LEU A 45 -0.656 -3.148 2.425 1.00 0.00 H new ATOM 0 HA LEU A 45 0.265 -2.701 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.875 -3.835 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.553 -2.765 0.768 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.157 -0.862 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.097 -1.546 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.634 -2.060 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.909 -3.244 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.256 -1.367 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.154 -3.057 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.370 -1.749 -0.365 1.00 0.00 H new ATOM 653 N SER A 46 0.763 -0.402 0.467 1.00 0.00 N ATOM 654 CA SER A 46 0.985 1.005 0.776 1.00 0.00 C ATOM 655 C SER A 46 0.469 1.896 -0.350 1.00 0.00 C ATOM 656 O SER A 46 0.726 1.641 -1.527 1.00 0.00 O ATOM 657 CB SER A 46 2.473 1.269 1.010 1.00 0.00 C ATOM 658 OG SER A 46 3.026 0.320 1.906 1.00 0.00 O ATOM 0 H SER A 46 1.529 -0.848 -0.038 1.00 0.00 H new ATOM 0 HA SER A 46 0.434 1.243 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.006 1.230 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.608 2.274 1.411 1.00 0.00 H new ATOM 0 HG SER A 46 3.978 0.510 2.037 1.00 0.00 H new ATOM 664 N VAL A 47 -0.260 2.944 0.020 1.00 0.00 N ATOM 665 CA VAL A 47 -0.812 3.875 -0.958 1.00 0.00 C ATOM 666 C VAL A 47 -0.594 5.320 -0.524 1.00 0.00 C ATOM 667 O VAL A 47 -0.685 5.646 0.661 1.00 0.00 O ATOM 668 CB VAL A 47 -2.319 3.636 -1.171 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.892 4.669 -2.129 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.568 2.226 -1.683 1.00 0.00 C ATOM 0 H VAL A 47 -0.482 3.170 0.990 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.287 3.697 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.826 3.744 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.957 4.485 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.747 5.668 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.383 4.596 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.638 2.075 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.050 2.087 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.195 1.504 -0.957 1.00 0.00 H new ATOM 680 N LEU A 48 -0.306 6.184 -1.491 1.00 0.00 N ATOM 681 CA LEU A 48 -0.073 7.597 -1.210 1.00 0.00 C ATOM 682 C LEU A 48 -1.337 8.415 -1.456 1.00 0.00 C ATOM 683 O LEU A 48 -1.627 8.805 -2.587 1.00 0.00 O ATOM 684 CB LEU A 48 1.068 8.129 -2.077 1.00 0.00 C ATOM 685 CG LEU A 48 1.603 9.513 -1.707 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.298 9.472 -0.355 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.553 10.022 -2.782 1.00 0.00 C ATOM 0 H LEU A 48 -0.228 5.931 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 48 0.203 7.693 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.893 7.419 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.728 8.158 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 48 0.761 10.201 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.672 10.465 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.590 9.151 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.131 8.770 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.924 11.008 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.392 9.333 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.024 10.090 -3.733 1.00 0.00 H new ATOM 699 N SER A 49 -2.087 8.673 -0.388 1.00 0.00 N ATOM 700 CA SER A 49 -3.321 9.443 -0.488 1.00 0.00 C ATOM 701 C SER A 49 -3.071 10.781 -1.179 1.00 0.00 C ATOM 702 O SER A 49 -1.950 11.290 -1.183 1.00 0.00 O ATOM 703 CB SER A 49 -3.914 9.678 0.903 1.00 0.00 C ATOM 704 OG SER A 49 -2.948 10.224 1.784 1.00 0.00 O ATOM 0 H SER A 49 -1.861 8.360 0.556 1.00 0.00 H new ATOM 0 HA SER A 49 -4.030 8.871 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.766 10.354 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.288 8.737 1.306 1.00 0.00 H new ATOM 0 HG SER A 49 -2.055 9.916 1.522 1.00 0.00 H new ATOM 710 N ASP A 50 -4.124 11.343 -1.761 1.00 0.00 N ATOM 711 CA ASP A 50 -4.021 12.623 -2.455 1.00 0.00 C ATOM 712 C ASP A 50 -4.011 13.780 -1.462 1.00 0.00 C ATOM 713 O ASP A 50 -3.960 14.945 -1.853 1.00 0.00 O ATOM 714 CB ASP A 50 -5.182 12.788 -3.438 1.00 0.00 C ATOM 715 CG ASP A 50 -5.408 14.236 -3.826 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.458 14.870 -4.329 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.536 14.734 -3.628 1.00 0.00 O ATOM 0 H ASP A 50 -5.058 10.934 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.082 12.635 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.982 12.201 -4.335 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.092 12.388 -2.992 1.00 0.00 H new ATOM 722 N GLN A 51 -4.061 13.449 -0.175 1.00 0.00 N ATOM 723 CA GLN A 51 -4.059 14.462 0.874 1.00 0.00 C ATOM 724 C GLN A 51 -2.657 14.653 1.444 1.00 0.00 C ATOM 725 O GLN A 51 -2.002 13.706 1.876 1.00 0.00 O ATOM 726 CB GLN A 51 -5.027 14.071 1.992 1.00 0.00 C ATOM 727 CG GLN A 51 -6.449 13.836 1.510 1.00 0.00 C ATOM 728 CD GLN A 51 -6.693 12.400 1.090 1.00 0.00 C ATOM 729 OE1 GLN A 51 -6.947 11.531 1.925 1.00 0.00 O ATOM 730 NE2 GLN A 51 -6.618 12.143 -0.210 1.00 0.00 N ATOM 0 H GLN A 51 -4.103 12.488 0.166 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.384 15.405 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.662 13.166 2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.033 14.857 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.146 14.102 2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.657 14.497 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.405 12.894 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.774 11.195 -0.552 1.00 0.00 H new ATOM 739 N PRO A 52 -2.185 15.909 1.444 1.00 0.00 N ATOM 740 CA PRO A 52 -0.855 16.254 1.958 1.00 0.00 C ATOM 741 C PRO A 52 -0.765 16.115 3.473 1.00 0.00 C ATOM 742 O PRO A 52 -1.780 16.139 4.171 1.00 0.00 O ATOM 743 CB PRO A 52 -0.684 17.718 1.544 1.00 0.00 C ATOM 744 CG PRO A 52 -2.074 18.241 1.422 1.00 0.00 C ATOM 745 CD PRO A 52 -2.911 17.088 0.944 1.00 0.00 C ATOM 0 HA PRO A 52 -0.082 15.593 1.566 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.115 18.276 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.145 17.802 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.436 18.615 2.380 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.118 19.073 0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.924 17.135 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.996 17.077 -0.143 1.00 0.00 H new ATOM 753 N LYS A 53 0.455 15.971 3.978 1.00 0.00 N ATOM 754 CA LYS A 53 0.679 15.829 5.412 1.00 0.00 C ATOM 755 C LYS A 53 0.196 17.066 6.163 1.00 0.00 C ATOM 756 O LYS A 53 -0.519 16.960 7.159 1.00 0.00 O ATOM 757 CB LYS A 53 2.164 15.594 5.697 1.00 0.00 C ATOM 758 CG LYS A 53 2.558 14.128 5.704 1.00 0.00 C ATOM 759 CD LYS A 53 3.961 13.929 6.252 1.00 0.00 C ATOM 760 CE LYS A 53 3.952 13.765 7.764 1.00 0.00 C ATOM 761 NZ LYS A 53 5.298 13.412 8.292 1.00 0.00 N ATOM 0 H LYS A 53 1.305 15.949 3.415 1.00 0.00 H new ATOM 0 HA LYS A 53 0.108 14.968 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.756 16.117 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.414 16.033 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.848 13.563 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.503 13.731 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.411 13.049 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.583 14.782 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.612 14.691 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.238 12.989 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.249 13.309 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.613 12.515 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.974 14.165 8.050 1.00 0.00 H new ATOM 775 N ALA A 54 0.589 18.238 5.676 1.00 0.00 N ATOM 776 CA ALA A 54 0.192 19.495 6.299 1.00 0.00 C ATOM 777 C ALA A 54 -0.542 20.392 5.307 1.00 0.00 C ATOM 778 O ALA A 54 -1.635 20.881 5.589 1.00 0.00 O ATOM 779 CB ALA A 54 1.412 20.213 6.860 1.00 0.00 C ATOM 0 H ALA A 54 1.182 18.344 4.853 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.491 19.267 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.102 21.150 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.894 19.582 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.114 20.422 6.053 1.00 0.00 H new ATOM 785 N GLY A 55 0.068 20.605 4.145 1.00 0.00 N ATOM 786 CA GLY A 55 -0.542 21.443 3.129 1.00 0.00 C ATOM 787 C GLY A 55 0.204 21.392 1.811 1.00 0.00 C ATOM 788 O GLY A 55 0.817 20.386 1.458 1.00 0.00 O ATOM 0 H GLY A 55 0.974 20.212 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.573 21.126 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.576 22.473 3.484 1.00 0.00 H new ATOM 792 N PRO A 56 0.155 22.500 1.056 1.00 0.00 N ATOM 793 CA PRO A 56 0.824 22.603 -0.244 1.00 0.00 C ATOM 794 C PRO A 56 2.343 22.642 -0.112 1.00 0.00 C ATOM 795 O PRO A 56 2.937 23.710 0.023 1.00 0.00 O ATOM 796 CB PRO A 56 0.302 23.927 -0.809 1.00 0.00 C ATOM 797 CG PRO A 56 -0.073 24.728 0.390 1.00 0.00 C ATOM 798 CD PRO A 56 -0.558 23.739 1.414 1.00 0.00 C ATOM 0 HA PRO A 56 0.615 21.742 -0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.065 24.433 -1.401 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.555 23.768 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.781 25.291 0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.851 25.452 0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.320 24.061 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.639 23.609 1.366 1.00 0.00 H new ATOM 806 N GLY A 57 2.966 21.468 -0.154 1.00 0.00 N ATOM 807 CA GLY A 57 4.411 21.390 -0.038 1.00 0.00 C ATOM 808 C GLY A 57 4.868 20.138 0.683 1.00 0.00 C ATOM 809 O GLY A 57 5.955 19.623 0.419 1.00 0.00 O ATOM 0 H GLY A 57 2.496 20.570 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.854 21.414 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.777 22.267 0.496 1.00 0.00 H new ATOM 813 N SER A 58 4.037 19.646 1.597 1.00 0.00 N ATOM 814 CA SER A 58 4.366 18.449 2.363 1.00 0.00 C ATOM 815 C SER A 58 4.133 17.192 1.532 1.00 0.00 C ATOM 816 O SER A 58 3.306 17.164 0.619 1.00 0.00 O ATOM 817 CB SER A 58 3.528 18.391 3.643 1.00 0.00 C ATOM 818 OG SER A 58 2.167 18.132 3.348 1.00 0.00 O ATOM 0 H SER A 58 3.132 20.057 1.825 1.00 0.00 H new ATOM 0 HA SER A 58 5.422 18.497 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.916 17.613 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.614 19.335 4.181 1.00 0.00 H new ATOM 0 HG SER A 58 1.828 18.820 2.738 1.00 0.00 H new ATOM 824 N PRO A 59 4.879 16.125 1.852 1.00 0.00 N ATOM 825 CA PRO A 59 4.773 14.844 1.147 1.00 0.00 C ATOM 826 C PRO A 59 3.456 14.132 1.436 1.00 0.00 C ATOM 827 O PRO A 59 3.148 13.815 2.586 1.00 0.00 O ATOM 828 CB PRO A 59 5.950 14.036 1.700 1.00 0.00 C ATOM 829 CG PRO A 59 6.215 14.624 3.043 1.00 0.00 C ATOM 830 CD PRO A 59 5.885 16.086 2.926 1.00 0.00 C ATOM 0 HA PRO A 59 4.797 14.971 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.703 12.977 1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.824 14.116 1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.602 14.145 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.256 14.481 3.334 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.490 16.485 3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.765 16.677 2.674 1.00 0.00 H new ATOM 838 N LEU A 60 2.682 13.880 0.385 1.00 0.00 N ATOM 839 CA LEU A 60 1.398 13.205 0.526 1.00 0.00 C ATOM 840 C LEU A 60 1.455 12.149 1.625 1.00 0.00 C ATOM 841 O LEU A 60 2.494 11.527 1.849 1.00 0.00 O ATOM 842 CB LEU A 60 0.992 12.556 -0.799 1.00 0.00 C ATOM 843 CG LEU A 60 0.466 13.504 -1.877 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.046 12.725 -3.114 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.696 14.327 -1.342 1.00 0.00 C ATOM 0 H LEU A 60 2.922 14.133 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 60 0.653 13.951 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.855 12.025 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.225 11.809 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 60 1.269 14.186 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.326 13.416 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.903 12.181 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.741 12.019 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.058 14.996 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.502 13.661 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.362 14.914 -0.487 1.00 0.00 H new ATOM 857 N ARG A 61 0.332 11.949 2.306 1.00 0.00 N ATOM 858 CA ARG A 61 0.254 10.967 3.381 1.00 0.00 C ATOM 859 C ARG A 61 0.290 9.547 2.825 1.00 0.00 C ATOM 860 O ARG A 61 -0.186 9.291 1.718 1.00 0.00 O ATOM 861 CB ARG A 61 -1.022 11.174 4.198 1.00 0.00 C ATOM 862 CG ARG A 61 -0.946 10.599 5.604 1.00 0.00 C ATOM 863 CD ARG A 61 -0.414 11.622 6.595 1.00 0.00 C ATOM 864 NE ARG A 61 -0.689 11.238 7.977 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.126 11.825 9.028 1.00 0.00 C ATOM 866 NH1 ARG A 61 0.737 12.816 8.855 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.427 11.419 10.256 1.00 0.00 N ATOM 0 H ARG A 61 -0.537 12.454 2.133 1.00 0.00 H new ATOM 0 HA ARG A 61 1.119 11.106 4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.233 12.241 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.859 10.715 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.936 10.268 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.301 9.720 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.661 11.735 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.866 12.593 6.392 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.349 10.478 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.971 13.130 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.167 13.264 9.664 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.090 10.656 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.005 11.870 11.062 1.00 0.00 H new ATOM 881 N VAL A 62 0.858 8.627 3.598 1.00 0.00 N ATOM 882 CA VAL A 62 0.955 7.233 3.183 1.00 0.00 C ATOM 883 C VAL A 62 0.079 6.338 4.052 1.00 0.00 C ATOM 884 O VAL A 62 0.051 6.474 5.275 1.00 0.00 O ATOM 885 CB VAL A 62 2.409 6.728 3.250 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.504 5.302 2.728 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.330 7.652 2.466 1.00 0.00 C ATOM 0 H VAL A 62 1.258 8.822 4.516 1.00 0.00 H new ATOM 0 HA VAL A 62 0.607 7.185 2.151 1.00 0.00 H new ATOM 0 HB VAL A 62 2.728 6.731 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.538 4.963 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.875 4.650 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.167 5.271 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.353 7.281 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.013 7.682 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.284 8.656 2.889 1.00 0.00 H new ATOM 897 N THR A 63 -0.639 5.421 3.410 1.00 0.00 N ATOM 898 CA THR A 63 -1.519 4.503 4.123 1.00 0.00 C ATOM 899 C THR A 63 -1.006 3.070 4.034 1.00 0.00 C ATOM 900 O THR A 63 -0.940 2.489 2.950 1.00 0.00 O ATOM 901 CB THR A 63 -2.955 4.558 3.570 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.492 5.875 3.731 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.848 3.552 4.281 1.00 0.00 C ATOM 0 H THR A 63 -0.628 5.295 2.398 1.00 0.00 H new ATOM 0 HA THR A 63 -1.528 4.819 5.166 1.00 0.00 H new ATOM 0 HB THR A 63 -2.922 4.306 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.405 5.902 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.857 3.609 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.453 2.547 4.133 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.874 3.778 5.347 1.00 0.00 H new ATOM 911 N HIS A 64 -0.645 2.503 5.181 1.00 0.00 N ATOM 912 CA HIS A 64 -0.139 1.135 5.232 1.00 0.00 C ATOM 913 C HIS A 64 -1.226 0.173 5.701 1.00 0.00 C ATOM 914 O HIS A 64 -1.562 0.129 6.885 1.00 0.00 O ATOM 915 CB HIS A 64 1.070 1.051 6.163 1.00 0.00 C ATOM 916 CG HIS A 64 2.113 2.091 5.888 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.002 2.005 4.838 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.404 3.245 6.532 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.795 3.060 4.848 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.453 3.829 5.867 1.00 0.00 N ATOM 0 H HIS A 64 -0.693 2.969 6.087 1.00 0.00 H new ATOM 0 HA HIS A 64 0.167 0.848 4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.732 1.152 7.194 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.521 0.063 6.071 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.041 1.245 4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.904 3.634 7.407 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.588 3.261 4.143 1.00 0.00 H new ATOM 929 N ILE A 65 -1.771 -0.597 4.765 1.00 0.00 N ATOM 930 CA ILE A 65 -2.818 -1.560 5.083 1.00 0.00 C ATOM 931 C ILE A 65 -2.265 -2.981 5.123 1.00 0.00 C ATOM 932 O ILE A 65 -1.562 -3.412 4.209 1.00 0.00 O ATOM 933 CB ILE A 65 -3.968 -1.497 4.061 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.646 -0.126 4.105 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.979 -2.602 4.334 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.260 0.288 2.786 1.00 0.00 C ATOM 0 H ILE A 65 -1.505 -0.573 3.781 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.202 -1.295 6.068 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.555 -1.645 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.423 -0.138 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.914 0.623 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.786 -2.545 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.488 -3.572 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.388 -2.481 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.722 1.269 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.484 0.333 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.017 -0.440 2.492 1.00 0.00 H new ATOM 948 N LYS A 66 -2.590 -3.706 6.188 1.00 0.00 N ATOM 949 CA LYS A 66 -2.129 -5.080 6.349 1.00 0.00 C ATOM 950 C LYS A 66 -2.973 -6.037 5.513 1.00 0.00 C ATOM 951 O LYS A 66 -4.197 -6.074 5.639 1.00 0.00 O ATOM 952 CB LYS A 66 -2.184 -5.488 7.822 1.00 0.00 C ATOM 953 CG LYS A 66 -1.138 -6.522 8.206 1.00 0.00 C ATOM 954 CD LYS A 66 -1.297 -6.967 9.649 1.00 0.00 C ATOM 955 CE LYS A 66 -0.283 -8.039 10.017 1.00 0.00 C ATOM 956 NZ LYS A 66 1.113 -7.522 9.971 1.00 0.00 N ATOM 0 H LYS A 66 -3.172 -3.364 6.953 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.097 -5.135 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.051 -4.601 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.174 -5.886 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.220 -7.386 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.142 -6.104 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.177 -6.109 10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.306 -7.350 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.498 -8.414 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.381 -8.882 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.640 -8.011 9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.099 -6.501 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.577 -7.693 10.886 1.00 0.00 H new ATOM 970 N VAL A 67 -2.310 -6.811 4.659 1.00 0.00 N ATOM 971 CA VAL A 67 -2.999 -7.771 3.804 1.00 0.00 C ATOM 972 C VAL A 67 -2.803 -9.196 4.309 1.00 0.00 C ATOM 973 O VAL A 67 -1.826 -9.859 3.961 1.00 0.00 O ATOM 974 CB VAL A 67 -2.505 -7.680 2.349 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.324 -8.594 1.449 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.563 -6.243 1.855 1.00 0.00 C ATOM 0 H VAL A 67 -1.297 -6.792 4.541 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.059 -7.521 3.836 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.467 -8.010 2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.961 -8.516 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.227 -9.624 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.372 -8.297 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.210 -6.198 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.591 -5.883 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.930 -5.616 2.483 1.00 0.00 H new ATOM 986 N MET A 68 -3.737 -9.661 5.131 1.00 0.00 N ATOM 987 CA MET A 68 -3.668 -11.010 5.682 1.00 0.00 C ATOM 988 C MET A 68 -3.741 -12.055 4.573 1.00 0.00 C ATOM 989 O MET A 68 -4.039 -11.733 3.423 1.00 0.00 O ATOM 990 CB MET A 68 -4.801 -11.233 6.685 1.00 0.00 C ATOM 991 CG MET A 68 -4.551 -10.588 8.038 1.00 0.00 C ATOM 992 SD MET A 68 -6.032 -10.530 9.065 1.00 0.00 S ATOM 993 CE MET A 68 -6.918 -9.172 8.303 1.00 0.00 C ATOM 0 H MET A 68 -4.551 -9.124 5.431 1.00 0.00 H new ATOM 0 HA MET A 68 -2.712 -11.117 6.195 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.727 -10.837 6.268 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.947 -12.304 6.824 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.772 -11.142 8.562 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.177 -9.575 7.890 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.998 -8.347 9.011 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.380 -8.839 7.416 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.917 -9.503 8.018 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.467 -13.306 4.927 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.500 -14.398 3.960 1.00 0.00 C ATOM 1005 C CYS A 69 -4.194 -15.623 4.548 1.00 0.00 C ATOM 1006 O CYS A 69 -3.857 -16.072 5.643 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.081 -14.762 3.521 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.010 -16.010 2.214 1.00 0.00 S ATOM 0 H CYS A 69 -3.220 -13.589 5.875 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.066 -14.064 3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.577 -13.860 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.526 -15.125 4.386 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.009 -15.843 1.399 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.165 -16.156 3.813 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.908 -17.327 4.264 1.00 0.00 C ATOM 1016 C GLU A 70 -5.799 -18.464 3.250 1.00 0.00 C ATOM 1017 O GLU A 70 -6.683 -18.652 2.417 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.378 -16.969 4.490 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.643 -16.300 5.828 1.00 0.00 C ATOM 1020 CD GLU A 70 -9.048 -16.552 6.339 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -10.009 -16.131 5.662 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.187 -17.169 7.415 1.00 0.00 O ATOM 0 H GLU A 70 -5.455 -15.796 2.904 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.474 -17.661 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.709 -16.306 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.979 -17.876 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.923 -16.665 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.483 -15.226 5.731 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.707 -19.217 3.330 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.502 -20.324 2.415 1.00 0.00 C ATOM 1031 C GLY A 71 -4.317 -19.865 0.982 1.00 0.00 C ATOM 1032 O GLY A 71 -5.033 -20.307 0.084 1.00 0.00 O ATOM 0 H GLY A 71 -3.961 -19.080 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.626 -20.892 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.356 -20.999 2.470 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.354 -18.974 0.766 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.096 -18.469 -0.569 1.00 0.00 C ATOM 1038 C GLY A 72 -3.897 -17.220 -0.881 1.00 0.00 C ATOM 1039 O GLY A 72 -3.467 -16.381 -1.672 1.00 0.00 O ATOM 0 H GLY A 72 -2.748 -18.593 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.033 -18.251 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.335 -19.242 -1.299 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.064 -17.097 -0.258 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.927 -15.942 -0.475 1.00 0.00 C ATOM 1045 C ARG A 73 -5.386 -14.714 0.251 1.00 0.00 C ATOM 1046 O ARG A 73 -4.394 -14.796 0.975 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.349 -16.245 0.002 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.933 -17.517 -0.589 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.254 -17.882 0.068 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.920 -18.986 -0.617 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.072 -19.512 -0.218 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.684 -19.036 0.858 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.616 -20.516 -0.894 1.00 0.00 N ATOM 0 H ARG A 73 -5.434 -17.782 0.401 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.947 -15.730 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.349 -16.327 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.995 -15.406 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.083 -17.386 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.225 -18.336 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.078 -18.155 1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.909 -17.011 0.073 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.475 -19.375 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.270 -18.264 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.569 -19.442 1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.149 -20.885 -1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.501 -20.918 -0.585 1.00 0.00 H new ATOM 1067 N TYR A 74 -6.044 -13.577 0.052 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.627 -12.331 0.685 1.00 0.00 C ATOM 1069 C TYR A 74 -6.837 -11.484 1.069 1.00 0.00 C ATOM 1070 O TYR A 74 -7.839 -11.450 0.353 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.712 -11.541 -0.251 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.471 -12.298 -0.667 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.577 -12.780 0.282 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.192 -12.531 -2.008 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.442 -13.471 -0.093 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -2.060 -13.223 -2.392 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.188 -13.691 -1.431 1.00 0.00 C ATOM 1078 OH TYR A 74 -0.058 -14.379 -1.810 1.00 0.00 O ATOM 0 H TYR A 74 -6.868 -13.492 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.078 -12.580 1.593 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.273 -11.262 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.415 -10.615 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.774 -12.611 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.872 -12.165 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.757 -13.837 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.859 -13.397 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 74 0.720 -14.017 -1.336 1.00 0.00 H new ATOM 1088 N THR A 75 -6.735 -10.800 2.203 1.00 0.00 N ATOM 1089 CA THR A 75 -7.820 -9.952 2.684 1.00 0.00 C ATOM 1090 C THR A 75 -7.287 -8.812 3.545 1.00 0.00 C ATOM 1091 O THR A 75 -6.153 -8.861 4.023 1.00 0.00 O ATOM 1092 CB THR A 75 -8.845 -10.760 3.500 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.040 -9.993 3.683 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.273 -11.149 4.856 1.00 0.00 C ATOM 0 H THR A 75 -5.913 -10.816 2.806 1.00 0.00 H new ATOM 0 HA THR A 75 -8.312 -9.539 1.803 1.00 0.00 H new ATOM 0 HB THR A 75 -9.079 -11.670 2.948 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.540 -10.344 4.449 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.016 -11.719 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.380 -11.758 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.013 -10.249 5.413 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.111 -7.788 3.739 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.721 -6.636 4.545 1.00 0.00 C ATOM 1104 C VAL A 76 -8.760 -6.345 5.622 1.00 0.00 C ATOM 1105 O VAL A 76 -9.664 -5.535 5.425 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.535 -5.380 3.673 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.408 -5.586 2.674 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.832 -5.027 2.962 1.00 0.00 C ATOM 0 H VAL A 76 -9.052 -7.732 3.350 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.771 -6.885 5.018 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.266 -4.546 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.291 -4.688 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.479 -5.785 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.644 -6.432 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.681 -4.137 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.135 -5.858 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.610 -4.833 3.700 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.622 -7.011 6.765 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.555 -6.809 7.858 1.00 0.00 C ATOM 1120 C GLY A 77 -10.885 -7.496 7.621 1.00 0.00 C ATOM 1121 O GLY A 77 -11.394 -8.198 8.493 1.00 0.00 O ATOM 0 H GLY A 77 -7.881 -7.686 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.115 -7.186 8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.721 -5.741 7.997 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.451 -7.292 6.435 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.726 -7.903 6.107 1.00 0.00 C ATOM 1127 C GLY A 78 -12.620 -9.403 5.923 1.00 0.00 C ATOM 1128 O GLY A 78 -11.522 -9.943 5.772 1.00 0.00 O ATOM 0 H GLY A 78 -11.049 -6.715 5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.443 -7.687 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.116 -7.455 5.193 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.762 -10.082 5.938 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.793 -11.531 5.773 1.00 0.00 C ATOM 1134 C LEU A 79 -13.560 -11.919 4.317 1.00 0.00 C ATOM 1135 O LEU A 79 -13.099 -13.022 4.025 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.135 -12.089 6.253 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.197 -12.515 7.721 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -14.419 -13.803 7.937 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.663 -11.410 8.620 1.00 0.00 C ATOM 0 H LEU A 79 -14.679 -9.652 6.063 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.991 -11.958 6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.902 -11.334 6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.391 -12.949 5.634 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.239 -12.697 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.475 -14.090 8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.847 -14.594 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.377 -13.650 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.715 -11.731 9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.627 -11.196 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -15.264 -10.511 8.487 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.880 -11.004 3.407 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.704 -11.252 1.981 1.00 0.00 C ATOM 1153 C GLU A 80 -12.333 -11.861 1.701 1.00 0.00 C ATOM 1154 O GLU A 80 -11.477 -11.926 2.583 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.868 -9.952 1.192 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.312 -9.627 0.846 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.543 -8.142 0.643 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.100 -7.349 1.500 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.169 -7.773 -0.373 1.00 0.00 O ATOM 0 H GLU A 80 -14.262 -10.085 3.632 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.469 -11.960 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.448 -9.130 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.289 -10.021 0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.594 -10.162 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.963 -9.986 1.643 1.00 0.00 H new ATOM 1166 N THR A 81 -12.133 -12.307 0.464 1.00 0.00 N ATOM 1167 CA THR A 81 -10.869 -12.913 0.065 1.00 0.00 C ATOM 1168 C THR A 81 -10.675 -12.837 -1.444 1.00 0.00 C ATOM 1169 O THR A 81 -11.635 -12.669 -2.196 1.00 0.00 O ATOM 1170 CB THR A 81 -10.788 -14.386 0.508 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.786 -15.157 -0.170 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.980 -14.511 2.012 1.00 0.00 C ATOM 0 H THR A 81 -12.831 -12.260 -0.278 1.00 0.00 H new ATOM 0 HA THR A 81 -10.078 -12.348 0.559 1.00 0.00 H new ATOM 0 HB THR A 81 -9.799 -14.765 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.948 -15.988 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.919 -15.560 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.202 -13.947 2.526 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.957 -14.115 2.288 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.426 -12.961 -1.882 1.00 0.00 N ATOM 1181 CA PHE A 82 -9.106 -12.905 -3.304 1.00 0.00 C ATOM 1182 C PHE A 82 -8.084 -13.978 -3.674 1.00 0.00 C ATOM 1183 O PHE A 82 -7.182 -14.286 -2.894 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.565 -11.522 -3.673 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.497 -10.400 -3.316 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.449 -9.815 -2.060 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.420 -9.929 -4.234 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.306 -8.783 -1.729 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.280 -8.897 -3.909 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.221 -8.322 -2.654 1.00 0.00 C ATOM 0 H PHE A 82 -8.620 -13.101 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.022 -13.091 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.612 -11.367 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.367 -11.492 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.734 -10.170 -1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.469 -10.374 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.260 -8.337 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.997 -8.541 -4.634 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.889 -7.513 -2.397 1.00 0.00 H new ATOM 1200 N ASP A 83 -8.235 -14.543 -4.866 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.327 -15.581 -5.340 1.00 0.00 C ATOM 1202 C ASP A 83 -5.874 -15.184 -5.097 1.00 0.00 C ATOM 1203 O ASP A 83 -5.030 -16.031 -4.804 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.554 -15.846 -6.829 1.00 0.00 C ATOM 1205 CG ASP A 83 -6.873 -17.117 -7.301 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -5.798 -17.449 -6.762 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -7.418 -17.777 -8.210 1.00 0.00 O ATOM 0 H ASP A 83 -8.977 -14.300 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.534 -16.494 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.624 -15.917 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.180 -15.001 -7.407 1.00 0.00 H new ATOM 1212 N SER A 84 -5.590 -13.892 -5.221 1.00 0.00 N ATOM 1213 CA SER A 84 -4.238 -13.383 -5.019 1.00 0.00 C ATOM 1214 C SER A 84 -4.219 -11.858 -5.066 1.00 0.00 C ATOM 1215 O SER A 84 -5.228 -11.222 -5.374 1.00 0.00 O ATOM 1216 CB SER A 84 -3.295 -13.949 -6.082 1.00 0.00 C ATOM 1217 OG SER A 84 -2.762 -15.199 -5.678 1.00 0.00 O ATOM 0 H SER A 84 -6.278 -13.178 -5.460 1.00 0.00 H new ATOM 0 HA SER A 84 -3.898 -13.703 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.832 -14.066 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.483 -13.245 -6.264 1.00 0.00 H new ATOM 0 HG SER A 84 -3.485 -15.858 -5.616 1.00 0.00 H new ATOM 1223 N LEU A 85 -3.065 -11.278 -4.757 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.912 -9.827 -4.764 1.00 0.00 C ATOM 1225 C LEU A 85 -3.607 -9.212 -5.974 1.00 0.00 C ATOM 1226 O LEU A 85 -4.551 -8.433 -5.834 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.429 -9.450 -4.765 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.776 -9.289 -3.392 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.589 -8.342 -2.523 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.623 -10.641 -2.712 1.00 0.00 C ATOM 0 H LEU A 85 -2.221 -11.790 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.379 -9.433 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.881 -10.213 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.313 -8.514 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 85 0.217 -8.861 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.109 -8.239 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.646 -7.366 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.595 -8.741 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.156 -10.507 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.605 -11.098 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.002 -11.289 -3.327 1.00 0.00 H new ATOM 1242 N THR A 86 -3.135 -9.568 -7.165 1.00 0.00 N ATOM 1243 CA THR A 86 -3.710 -9.051 -8.400 1.00 0.00 C ATOM 1244 C THR A 86 -5.232 -8.996 -8.318 1.00 0.00 C ATOM 1245 O THR A 86 -5.845 -7.986 -8.664 1.00 0.00 O ATOM 1246 CB THR A 86 -3.304 -9.913 -9.612 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.878 -9.942 -9.736 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.917 -9.367 -10.893 1.00 0.00 C ATOM 0 H THR A 86 -2.356 -10.212 -7.300 1.00 0.00 H new ATOM 0 HA THR A 86 -3.319 -8.042 -8.532 1.00 0.00 H new ATOM 0 HB THR A 86 -3.676 -10.925 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.501 -9.115 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.617 -9.991 -11.735 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.004 -9.372 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.570 -8.347 -11.056 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.833 -10.086 -7.856 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.284 -10.161 -7.726 1.00 0.00 C ATOM 1258 C ASP A 87 -7.783 -9.206 -6.646 1.00 0.00 C ATOM 1259 O ASP A 87 -8.821 -8.562 -6.802 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.715 -11.591 -7.396 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.221 -11.759 -7.408 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.901 -10.981 -8.111 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.721 -12.669 -6.714 1.00 0.00 O ATOM 0 H ASP A 87 -5.339 -10.930 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.724 -9.867 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.270 -12.277 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.329 -11.866 -6.414 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.037 -9.118 -5.550 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.403 -8.242 -4.443 1.00 0.00 C ATOM 1270 C LEU A 88 -7.250 -6.776 -4.836 1.00 0.00 C ATOM 1271 O LEU A 88 -8.232 -6.038 -4.917 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.540 -8.547 -3.218 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.866 -7.754 -1.952 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.535 -8.568 -0.711 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.112 -6.432 -1.942 1.00 0.00 C ATOM 0 H LEU A 88 -6.175 -9.643 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.449 -8.426 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.630 -9.609 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.497 -8.364 -3.479 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.935 -7.540 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.774 -7.987 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.120 -9.487 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.473 -8.814 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.356 -5.881 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.040 -6.625 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.400 -5.842 -2.813 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.011 -6.360 -5.079 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.729 -4.983 -5.467 1.00 0.00 C ATOM 1289 C VAL A 89 -6.695 -4.507 -6.545 1.00 0.00 C ATOM 1290 O VAL A 89 -7.404 -3.517 -6.363 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.285 -4.829 -5.982 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.997 -3.379 -6.336 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.294 -5.342 -4.948 1.00 0.00 C ATOM 0 H VAL A 89 -5.187 -6.957 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.855 -4.371 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.173 -5.427 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.973 -3.289 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.687 -3.050 -7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.125 -2.756 -5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.279 -5.226 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.404 -4.772 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.489 -6.396 -4.749 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.718 -5.217 -7.668 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.598 -4.867 -8.776 1.00 0.00 C ATOM 1305 C GLU A 90 -8.993 -4.509 -8.271 1.00 0.00 C ATOM 1306 O GLU A 90 -9.465 -3.388 -8.460 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.686 -6.024 -9.773 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.525 -6.073 -10.753 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.807 -6.962 -11.949 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.497 -7.989 -11.774 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.339 -6.631 -13.057 1.00 0.00 O ATOM 0 H GLU A 90 -6.137 -6.039 -7.835 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.177 -3.996 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.726 -6.964 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.618 -5.941 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.304 -5.063 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.635 -6.435 -10.238 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.647 -5.470 -7.627 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.989 -5.258 -7.095 1.00 0.00 C ATOM 1320 C HIS A 91 -11.034 -4.009 -6.221 1.00 0.00 C ATOM 1321 O HIS A 91 -12.093 -3.409 -6.031 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.439 -6.476 -6.288 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.640 -6.216 -5.433 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.923 -6.545 -5.817 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -12.748 -5.659 -4.204 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.768 -6.199 -4.863 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.081 -5.659 -3.872 1.00 0.00 N ATOM 0 H HIS A 91 -9.270 -6.403 -7.461 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.669 -5.118 -7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.661 -7.294 -6.973 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.616 -6.806 -5.654 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.937 -5.284 -3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.839 -6.334 -4.889 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.476 -5.301 -3.002 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.879 -3.621 -5.691 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.787 -2.443 -4.834 1.00 0.00 C ATOM 1338 C PHE A 92 -9.410 -1.208 -5.647 1.00 0.00 C ATOM 1339 O PHE A 92 -9.605 -0.076 -5.204 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.758 -2.672 -3.726 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.351 -3.227 -2.462 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.504 -2.679 -1.925 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.755 -4.295 -1.812 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.051 -3.187 -0.761 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.298 -4.808 -0.649 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.448 -4.253 -0.123 1.00 0.00 C ATOM 0 H PHE A 92 -8.993 -4.105 -5.839 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.765 -2.275 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.991 -3.356 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.262 -1.728 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.981 -1.846 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.855 -4.732 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.950 -2.750 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.824 -5.642 -0.152 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.875 -4.652 0.785 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.870 -1.435 -6.840 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.466 -0.342 -7.717 1.00 0.00 C ATOM 1358 C LYS A 93 -9.684 0.366 -8.301 1.00 0.00 C ATOM 1359 O LYS A 93 -9.597 1.512 -8.740 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.578 -0.869 -8.847 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.267 -1.463 -8.364 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.172 -1.322 -9.408 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.182 -2.485 -10.387 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.251 -2.259 -11.527 1.00 0.00 N ATOM 0 H LYS A 93 -8.702 -2.366 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.900 0.376 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.127 -1.627 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.365 -0.055 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.959 -0.967 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.410 -2.517 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.304 -0.386 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.202 -1.269 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.902 -3.401 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.193 -2.631 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.287 -3.074 -12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.533 -1.399 -12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.282 -2.145 -11.167 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.819 -0.324 -8.302 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.057 0.239 -8.828 1.00 0.00 C ATOM 1380 C LYS A 94 -13.013 0.605 -7.698 1.00 0.00 C ATOM 1381 O LYS A 94 -13.666 1.648 -7.736 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.730 -0.755 -9.778 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.950 -2.127 -9.166 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.411 -3.134 -10.206 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.247 -4.239 -9.580 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.639 -3.788 -9.298 1.00 0.00 N ATOM 0 H LYS A 94 -10.907 -1.275 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.809 1.147 -9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.691 -0.349 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.118 -0.860 -10.674 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.024 -2.474 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.693 -2.057 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.995 -2.625 -10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.543 -3.569 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.272 -5.099 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.777 -4.570 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.046 -4.372 -8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.627 -2.792 -8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.216 -3.885 -10.158 1.00 0.00 H new ATOM 1400 N THR A 95 -13.090 -0.259 -6.691 1.00 0.00 N ATOM 1401 CA THR A 95 -13.966 -0.026 -5.549 1.00 0.00 C ATOM 1402 C THR A 95 -13.305 0.893 -4.527 1.00 0.00 C ATOM 1403 O THR A 95 -13.916 1.849 -4.052 1.00 0.00 O ATOM 1404 CB THR A 95 -14.353 -1.348 -4.859 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.193 -1.956 -4.279 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.992 -2.308 -5.850 1.00 0.00 C ATOM 0 H THR A 95 -12.556 -1.127 -6.643 1.00 0.00 H new ATOM 0 HA THR A 95 -14.867 0.452 -5.934 1.00 0.00 H new ATOM 0 HB THR A 95 -15.076 -1.125 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.893 -2.696 -4.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.257 -3.234 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.891 -1.854 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.287 -2.524 -6.653 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.053 0.596 -4.194 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.330 1.406 -3.231 1.00 0.00 C ATOM 1416 C GLY A 96 -11.414 0.847 -1.825 1.00 0.00 C ATOM 1417 O GLY A 96 -12.245 -0.016 -1.541 1.00 0.00 O ATOM 0 H GLY A 96 -11.526 -0.191 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.284 1.473 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.730 2.420 -3.240 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.550 1.338 -0.942 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.530 0.881 0.443 1.00 0.00 C ATOM 1423 C ILE A 97 -11.034 1.967 1.387 1.00 0.00 C ATOM 1424 O ILE A 97 -10.763 3.151 1.187 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.114 0.456 0.875 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.549 -0.578 -0.101 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.138 -0.100 2.290 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.040 -0.548 -0.206 1.00 0.00 C ATOM 0 H ILE A 97 -9.855 2.052 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.192 0.017 0.501 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.466 1.332 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.864 -1.573 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.977 -0.406 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.130 -0.396 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.504 0.665 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.797 -0.968 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.709 -1.307 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.719 0.435 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.603 -0.750 0.772 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.767 1.555 2.417 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.307 2.493 3.393 1.00 0.00 C ATOM 1442 C GLU A 98 -11.720 2.235 4.778 1.00 0.00 C ATOM 1443 O GLU A 98 -12.259 1.449 5.555 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.832 2.387 3.446 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.449 3.078 4.650 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.946 3.275 4.506 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.650 2.282 4.228 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.412 4.422 4.672 1.00 0.00 O ATOM 0 H GLU A 98 -12.000 0.578 2.596 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.031 3.500 3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.250 2.819 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.114 1.334 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.248 2.489 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.971 4.047 4.793 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.611 2.904 5.078 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.950 2.747 6.369 1.00 0.00 C ATOM 1457 C GLU A 99 -10.914 3.045 7.513 1.00 0.00 C ATOM 1458 O GLU A 99 -11.906 3.751 7.336 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.732 3.669 6.459 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.761 3.509 5.302 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.727 4.617 5.251 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.830 4.631 6.121 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.814 5.469 4.343 1.00 0.00 O ATOM 0 H GLU A 99 -10.152 3.559 4.446 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.620 1.712 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.072 4.704 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.206 3.472 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.254 2.548 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.318 3.493 4.365 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.614 2.500 8.689 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.452 2.709 9.863 1.00 0.00 C ATOM 1472 C ALA A 100 -11.624 4.194 10.158 1.00 0.00 C ATOM 1473 O ALA A 100 -12.740 4.712 10.162 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.859 1.993 11.068 1.00 0.00 C ATOM 0 H ALA A 100 -9.797 1.911 8.853 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.437 2.292 9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.495 2.157 11.938 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.796 0.925 10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.861 2.384 11.269 1.00 0.00 H new ATOM 1480 N SER A 101 -10.509 4.876 10.407 1.00 0.00 N ATOM 1481 CA SER A 101 -10.537 6.303 10.709 1.00 0.00 C ATOM 1482 C SER A 101 -11.616 7.009 9.894 1.00 0.00 C ATOM 1483 O SER A 101 -12.284 7.919 10.385 1.00 0.00 O ATOM 1484 CB SER A 101 -9.171 6.932 10.422 1.00 0.00 C ATOM 1485 OG SER A 101 -8.330 6.865 11.560 1.00 0.00 O ATOM 0 H SER A 101 -9.576 4.463 10.405 1.00 0.00 H new ATOM 0 HA SER A 101 -10.770 6.422 11.767 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.698 6.417 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.302 7.972 10.123 1.00 0.00 H new ATOM 0 HG SER A 101 -7.463 7.272 11.351 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.781 6.583 8.646 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.780 7.186 7.782 1.00 0.00 C ATOM 1493 C GLY A 102 -12.184 7.732 6.500 1.00 0.00 C ATOM 1494 O GLY A 102 -12.730 8.658 5.899 1.00 0.00 O ATOM 0 H GLY A 102 -11.241 5.831 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.541 6.444 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.281 7.992 8.318 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.061 7.159 6.079 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.391 7.595 4.860 1.00 0.00 C ATOM 1500 C ALA A 103 -10.636 6.612 3.720 1.00 0.00 C ATOM 1501 O ALA A 103 -10.802 5.413 3.944 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.900 7.759 5.108 1.00 0.00 C ATOM 0 H ALA A 103 -10.596 6.392 6.564 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.807 8.560 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.412 8.085 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.741 8.504 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.477 6.806 5.425 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.656 7.129 2.495 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.882 6.298 1.318 1.00 0.00 C ATOM 1510 C PHE A 104 -9.648 6.279 0.420 1.00 0.00 C ATOM 1511 O PHE A 104 -9.363 7.250 -0.282 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.092 6.806 0.532 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.384 6.158 0.935 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.765 4.942 0.390 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.220 6.764 1.859 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.955 4.344 0.759 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.411 6.170 2.233 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.779 4.957 1.682 1.00 0.00 C ATOM 0 H PHE A 104 -10.518 8.119 2.292 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.079 5.281 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.177 7.884 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.924 6.632 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.125 4.456 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.938 7.712 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.241 3.397 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.053 6.653 2.955 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.708 4.490 1.973 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.919 5.168 0.450 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.715 5.022 -0.361 1.00 0.00 C ATOM 1530 C VAL A 105 -8.059 4.587 -1.781 1.00 0.00 C ATOM 1531 O VAL A 105 -8.835 3.651 -1.985 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.744 4.000 0.256 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.503 3.850 -0.612 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.367 4.410 1.671 1.00 0.00 C ATOM 0 H VAL A 105 -9.140 4.356 1.027 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.232 5.999 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.245 3.033 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.828 3.123 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.793 3.507 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.998 4.812 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.680 3.676 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.885 5.388 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.265 4.461 2.287 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.479 5.270 -2.762 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.725 4.954 -4.163 1.00 0.00 C ATOM 1546 C TYR A 106 -6.443 4.496 -4.852 1.00 0.00 C ATOM 1547 O TYR A 106 -5.369 5.058 -4.630 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.298 6.174 -4.888 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.584 6.688 -4.283 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.499 5.818 -3.702 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.886 8.044 -4.291 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.676 6.284 -3.148 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -11.058 8.519 -3.738 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.950 7.635 -3.168 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.122 8.104 -2.617 1.00 0.00 O ATOM 0 H TYR A 106 -6.835 6.046 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.449 4.140 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.557 6.973 -4.879 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.475 5.916 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.286 4.759 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.191 8.739 -4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.377 5.594 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.275 9.577 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.161 9.079 -2.712 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.563 3.472 -5.690 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.415 2.937 -6.414 1.00 0.00 C ATOM 1567 C LEU A 107 -5.573 3.143 -7.916 1.00 0.00 C ATOM 1568 O LEU A 107 -6.231 2.353 -8.595 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.243 1.448 -6.107 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.399 1.042 -4.641 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.848 0.696 -4.334 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.487 -0.132 -4.312 1.00 0.00 C ATOM 0 H LEU A 107 -7.444 2.996 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.526 3.475 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.970 0.890 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.254 1.140 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.109 1.887 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.940 0.409 -3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.478 1.563 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.166 -0.133 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.612 -0.407 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.746 -0.982 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.450 0.151 -4.492 1.00 0.00 H new ATOM 1584 N ARG A 108 -4.967 4.208 -8.430 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.039 4.518 -9.852 1.00 0.00 C ATOM 1586 C ARG A 108 -3.871 3.889 -10.606 1.00 0.00 C ATOM 1587 O ARG A 108 -4.061 3.247 -11.639 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.044 6.032 -10.067 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.173 6.747 -9.345 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.510 8.072 -10.009 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.335 8.696 -10.612 1.00 0.00 N ATOM 1592 CZ ARG A 108 -5.399 9.713 -11.464 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.574 10.220 -11.810 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -4.286 10.228 -11.969 1.00 0.00 N ATOM 0 H ARG A 108 -4.420 4.872 -7.882 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.967 4.100 -10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.092 6.441 -9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.119 6.238 -11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.058 6.111 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.890 6.921 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.268 7.911 -10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.941 8.748 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.415 8.331 -10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.432 9.829 -11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.620 11.001 -12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.380 9.843 -11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.336 11.009 -12.623 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.665 4.080 -10.082 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.466 3.533 -10.707 1.00 0.00 C ATOM 1610 C GLN A 109 -0.473 3.056 -9.653 1.00 0.00 C ATOM 1611 O GLN A 109 -0.323 3.656 -8.588 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.809 4.583 -11.605 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.167 5.726 -10.837 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.176 6.763 -10.384 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.157 7.037 -11.076 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.940 7.348 -9.215 1.00 0.00 N ATOM 0 H GLN A 109 -2.492 4.609 -9.227 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.761 2.678 -11.315 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.051 4.099 -12.220 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.559 4.989 -12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.354 5.327 -9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.584 6.205 -11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.115 7.091 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.584 8.054 -8.859 1.00 0.00 H new ATOM 1625 N PRO A 110 0.224 1.949 -9.954 1.00 0.00 N ATOM 1626 CA PRO A 110 1.216 1.367 -9.046 1.00 0.00 C ATOM 1627 C PRO A 110 2.463 2.235 -8.914 1.00 0.00 C ATOM 1628 O PRO A 110 2.460 3.404 -9.300 1.00 0.00 O ATOM 1629 CB PRO A 110 1.561 0.030 -9.707 1.00 0.00 C ATOM 1630 CG PRO A 110 1.264 0.236 -11.152 1.00 0.00 C ATOM 1631 CD PRO A 110 0.097 1.183 -11.204 1.00 0.00 C ATOM 0 HA PRO A 110 0.831 1.269 -8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.608 -0.231 -9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.965 -0.783 -9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.127 0.651 -11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 110 1.022 -0.709 -11.639 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.144 1.831 -12.079 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.852 0.649 -11.254 1.00 0.00 H new ATOM 1639 N TYR A 111 3.526 1.656 -8.368 1.00 0.00 N ATOM 1640 CA TYR A 111 4.780 2.378 -8.185 1.00 0.00 C ATOM 1641 C TYR A 111 5.975 1.480 -8.490 1.00 0.00 C ATOM 1642 O TYR A 111 6.165 0.443 -7.853 1.00 0.00 O ATOM 1643 CB TYR A 111 4.880 2.912 -6.755 1.00 0.00 C ATOM 1644 CG TYR A 111 6.190 3.610 -6.460 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.361 4.957 -6.751 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.253 2.921 -5.892 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.556 5.599 -6.484 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.451 3.554 -5.621 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.597 4.893 -5.918 1.00 0.00 C ATOM 1650 OH TYR A 111 9.789 5.528 -5.650 1.00 0.00 O ATOM 0 H TYR A 111 3.545 0.689 -8.044 1.00 0.00 H new ATOM 0 HA TYR A 111 4.793 3.217 -8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.059 3.607 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.754 2.084 -6.057 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.547 5.512 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.142 1.873 -5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.674 6.647 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.268 3.003 -5.179 1.00 0.00 H new ATOM 0 HH TYR A 111 9.631 6.273 -5.033 1.00 0.00 H new ATOM 1660 N TYR A 112 6.777 1.886 -9.468 1.00 0.00 N ATOM 1661 CA TYR A 112 7.954 1.119 -9.859 1.00 0.00 C ATOM 1662 C TYR A 112 9.228 1.763 -9.322 1.00 0.00 C ATOM 1663 O TYR A 112 9.319 2.985 -9.208 1.00 0.00 O ATOM 1664 CB TYR A 112 8.030 1.006 -11.383 1.00 0.00 C ATOM 1665 CG TYR A 112 6.708 0.664 -12.032 1.00 0.00 C ATOM 1666 CD1 TYR A 112 6.021 -0.494 -11.687 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.146 1.499 -12.991 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.813 -0.810 -12.278 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.937 1.191 -13.585 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.276 0.035 -13.226 1.00 0.00 C ATOM 1671 OH TYR A 112 3.073 -0.276 -13.818 1.00 0.00 O ATOM 0 H TYR A 112 6.634 2.742 -10.004 1.00 0.00 H new ATOM 0 HA TYR A 112 7.865 0.121 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.392 1.950 -11.791 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.762 0.243 -11.646 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.439 -1.158 -10.944 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.663 2.403 -13.276 1.00 0.00 H new ATOM 0 HE1 TYR A 112 4.292 -1.714 -11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.512 1.852 -14.326 1.00 0.00 H new ATOM 0 HH TYR A 112 2.835 0.423 -14.462 1.00 0.00 H new ATOM 1681 N SER A 113 10.210 0.930 -8.993 1.00 0.00 N ATOM 1682 CA SER A 113 11.480 1.416 -8.463 1.00 0.00 C ATOM 1683 C SER A 113 12.639 0.996 -9.361 1.00 0.00 C ATOM 1684 O SER A 113 12.467 0.204 -10.287 1.00 0.00 O ATOM 1685 CB SER A 113 11.700 0.888 -7.045 1.00 0.00 C ATOM 1686 OG SER A 113 12.679 1.653 -6.363 1.00 0.00 O ATOM 0 H SER A 113 10.151 -0.084 -9.084 1.00 0.00 H new ATOM 0 HA SER A 113 11.442 2.505 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.761 0.918 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.013 -0.155 -7.086 1.00 0.00 H new ATOM 0 HG SER A 113 12.800 1.297 -5.458 1.00 0.00 H new ATOM 1692 N GLY A 114 13.822 1.532 -9.079 1.00 0.00 N ATOM 1693 CA GLY A 114 14.994 1.202 -9.869 1.00 0.00 C ATOM 1694 C GLY A 114 15.643 2.426 -10.484 1.00 0.00 C ATOM 1695 O GLY A 114 16.482 3.084 -9.869 1.00 0.00 O ATOM 0 H GLY A 114 13.990 2.189 -8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 114 15.720 0.688 -9.239 1.00 0.00 H new ATOM 0 HA3 GLY A 114 14.711 0.508 -10.661 1.00 0.00 H new ATOM 1699 N PRO A 115 15.255 2.745 -11.728 1.00 0.00 N ATOM 1700 CA PRO A 115 15.794 3.900 -12.452 1.00 0.00 C ATOM 1701 C PRO A 115 15.327 5.225 -11.861 1.00 0.00 C ATOM 1702 O PRO A 115 15.910 6.275 -12.131 1.00 0.00 O ATOM 1703 CB PRO A 115 15.237 3.720 -13.868 1.00 0.00 C ATOM 1704 CG PRO A 115 13.997 2.914 -13.688 1.00 0.00 C ATOM 1705 CD PRO A 115 14.260 2.004 -12.520 1.00 0.00 C ATOM 0 HA PRO A 115 16.882 3.938 -12.407 1.00 0.00 H new ATOM 0 HB2 PRO A 115 15.020 4.682 -14.333 1.00 0.00 H new ATOM 0 HB3 PRO A 115 15.952 3.208 -14.512 1.00 0.00 H new ATOM 0 HG2 PRO A 115 13.138 3.557 -13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 115 13.771 2.340 -14.587 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.352 1.812 -11.947 1.00 0.00 H new ATOM 0 HD3 PRO A 115 14.643 1.036 -12.843 1.00 0.00 H new ATOM 1713 N SER A 116 14.272 5.169 -11.055 1.00 0.00 N ATOM 1714 CA SER A 116 13.725 6.367 -10.428 1.00 0.00 C ATOM 1715 C SER A 116 14.731 6.980 -9.458 1.00 0.00 C ATOM 1716 O SER A 116 15.002 6.425 -8.393 1.00 0.00 O ATOM 1717 CB SER A 116 12.426 6.034 -9.690 1.00 0.00 C ATOM 1718 OG SER A 116 12.677 5.212 -8.562 1.00 0.00 O ATOM 0 H SER A 116 13.779 4.307 -10.821 1.00 0.00 H new ATOM 0 HA SER A 116 13.513 7.094 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.938 6.955 -9.371 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.739 5.527 -10.367 1.00 0.00 H new ATOM 0 HG SER A 116 13.583 5.382 -8.228 1.00 0.00 H new ATOM 1724 N SER A 117 15.282 8.130 -9.836 1.00 0.00 N ATOM 1725 CA SER A 117 16.261 8.818 -9.003 1.00 0.00 C ATOM 1726 C SER A 117 17.372 7.866 -8.570 1.00 0.00 C ATOM 1727 O SER A 117 17.683 7.753 -7.386 1.00 0.00 O ATOM 1728 CB SER A 117 15.582 9.419 -7.771 1.00 0.00 C ATOM 1729 OG SER A 117 16.263 10.579 -7.328 1.00 0.00 O ATOM 0 H SER A 117 15.067 8.604 -10.713 1.00 0.00 H new ATOM 0 HA SER A 117 16.703 9.620 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.548 9.669 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.556 8.681 -6.970 1.00 0.00 H new ATOM 0 HG SER A 117 15.808 10.945 -6.541 1.00 0.00 H new ATOM 1735 N GLY A 118 17.967 7.181 -9.542 1.00 0.00 N ATOM 1736 CA GLY A 118 19.037 6.247 -9.244 1.00 0.00 C ATOM 1737 C GLY A 118 19.896 5.942 -10.455 1.00 0.00 C ATOM 1738 O GLY A 118 19.623 4.967 -11.154 1.00 0.00 O ATOM 0 H GLY A 118 17.727 7.256 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY A 118 19.664 6.658 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 118 18.610 5.320 -8.863 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 19.764 -0.097 18.402 1.00 0.00 N ATOM 1744 CA MET B 1 19.083 0.935 17.629 1.00 0.00 C ATOM 1745 C MET B 1 18.261 0.317 16.503 1.00 0.00 C ATOM 1746 O MET B 1 18.229 0.839 15.388 1.00 0.00 O ATOM 1747 CB MET B 1 20.098 1.924 17.053 1.00 0.00 C ATOM 1748 CG MET B 1 21.094 1.285 16.098 1.00 0.00 C ATOM 1749 SD MET B 1 22.450 0.463 16.957 1.00 0.00 S ATOM 1750 CE MET B 1 23.828 1.508 16.496 1.00 0.00 C ATOM 0 H1 MET B 1 19.503 -0.008 19.405 1.00 0.00 H new ATOM 0 H2 MET B 1 19.482 -1.035 18.053 1.00 0.00 H new ATOM 0 H3 MET B 1 20.793 0.016 18.301 1.00 0.00 H new ATOM 0 HA MET B 1 18.407 1.468 18.297 1.00 0.00 H new ATOM 0 HB2 MET B 1 19.564 2.718 16.531 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.642 2.392 17.873 1.00 0.00 H new ATOM 0 HG2 MET B 1 20.576 0.561 15.469 1.00 0.00 H new ATOM 0 HG3 MET B 1 21.499 2.050 15.436 1.00 0.00 H new ATOM 0 HE1 MET B 1 24.742 1.127 16.952 1.00 0.00 H new ATOM 0 HE2 MET B 1 23.937 1.509 15.411 1.00 0.00 H new ATOM 0 HE3 MET B 1 23.646 2.525 16.843 1.00 0.00 H new ATOM 1760 N ASP B 2 17.600 -0.796 16.800 1.00 0.00 N ATOM 1761 CA ASP B 2 16.778 -1.484 15.812 1.00 0.00 C ATOM 1762 C ASP B 2 15.533 -0.667 15.477 1.00 0.00 C ATOM 1763 O ASP B 2 15.103 0.177 16.261 1.00 0.00 O ATOM 1764 CB ASP B 2 16.372 -2.866 16.328 1.00 0.00 C ATOM 1765 CG ASP B 2 15.662 -3.691 15.272 1.00 0.00 C ATOM 1766 OD1 ASP B 2 14.470 -3.424 15.014 1.00 0.00 O ATOM 1767 OD2 ASP B 2 16.297 -4.606 14.707 1.00 0.00 O ATOM 0 H ASP B 2 17.617 -1.241 17.718 1.00 0.00 H new ATOM 0 HA ASP B 2 17.369 -1.603 14.904 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.260 -3.400 16.666 1.00 0.00 H new ATOM 0 HB3 ASP B 2 15.720 -2.751 17.194 1.00 0.00 H new ATOM 1772 N ASN B 3 14.960 -0.925 14.306 1.00 0.00 N ATOM 1773 CA ASN B 3 13.766 -0.213 13.867 1.00 0.00 C ATOM 1774 C ASN B 3 12.525 -1.088 14.013 1.00 0.00 C ATOM 1775 O ASN B 3 12.537 -2.264 13.649 1.00 0.00 O ATOM 1776 CB ASN B 3 13.920 0.234 12.411 1.00 0.00 C ATOM 1777 CG ASN B 3 12.753 1.081 11.940 1.00 0.00 C ATOM 1778 OD1 ASN B 3 12.289 1.971 12.653 1.00 0.00 O ATOM 1779 ND2 ASN B 3 12.273 0.806 10.732 1.00 0.00 N ATOM 0 H ASN B 3 15.303 -1.621 13.645 1.00 0.00 H new ATOM 0 HA ASN B 3 13.645 0.666 14.500 1.00 0.00 H new ATOM 0 HB2 ASN B 3 14.844 0.802 12.304 1.00 0.00 H new ATOM 0 HB3 ASN B 3 14.010 -0.644 11.772 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.488 1.342 10.361 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.689 0.059 10.176 1.00 0.00 H new ATOM 1786 N GLN B 4 11.456 -0.506 14.548 1.00 0.00 N ATOM 1787 CA GLN B 4 10.208 -1.234 14.742 1.00 0.00 C ATOM 1788 C GLN B 4 9.409 -1.299 13.445 1.00 0.00 C ATOM 1789 O GLN B 4 9.080 -2.381 12.960 1.00 0.00 O ATOM 1790 CB GLN B 4 9.371 -0.570 15.838 1.00 0.00 C ATOM 1791 CG GLN B 4 9.702 -1.062 17.237 1.00 0.00 C ATOM 1792 CD GLN B 4 10.878 -0.328 17.852 1.00 0.00 C ATOM 1793 OE1 GLN B 4 11.806 0.077 17.152 1.00 0.00 O ATOM 1794 NE2 GLN B 4 10.844 -0.151 19.167 1.00 0.00 N ATOM 0 H GLN B 4 11.430 0.467 14.854 1.00 0.00 H new ATOM 0 HA GLN B 4 10.453 -2.251 15.048 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.522 0.509 15.796 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.315 -0.752 15.638 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.828 -0.940 17.877 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.924 -2.129 17.200 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.055 -0.503 19.709 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.607 0.337 19.636 1.00 0.00 H new ATOM 1803 N GLY B 5 9.097 -0.133 12.887 1.00 0.00 N ATOM 1804 CA GLY B 5 8.338 -0.080 11.652 1.00 0.00 C ATOM 1805 C GLY B 5 7.313 1.037 11.648 1.00 0.00 C ATOM 1806 O GLY B 5 7.279 1.861 12.562 1.00 0.00 O ATOM 0 H GLY B 5 9.357 0.776 13.269 1.00 0.00 H new ATOM 0 HA2 GLY B 5 9.022 0.056 10.814 1.00 0.00 H new ATOM 0 HA3 GLY B 5 7.832 -1.033 11.499 1.00 0.00 H new ATOM 1810 N VAL B 6 6.476 1.067 10.617 1.00 0.00 N ATOM 1811 CA VAL B 6 5.446 2.091 10.497 1.00 0.00 C ATOM 1812 C VAL B 6 4.078 1.545 10.894 1.00 0.00 C ATOM 1813 O VAL B 6 3.833 0.341 10.813 1.00 0.00 O ATOM 1814 CB VAL B 6 5.368 2.644 9.062 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.587 3.500 8.752 1.00 0.00 C ATOM 1816 CG2 VAL B 6 5.235 1.508 8.059 1.00 0.00 C ATOM 0 H VAL B 6 6.491 0.393 9.852 1.00 0.00 H new ATOM 0 HA VAL B 6 5.723 2.898 11.175 1.00 0.00 H new ATOM 0 HB VAL B 6 4.482 3.274 8.982 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.514 3.882 7.734 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.632 4.336 9.451 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.490 2.897 8.849 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.181 1.918 7.050 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.100 0.850 8.138 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.328 0.941 8.269 1.00 0.00 H new ATOM 1826 N ILE B 7 3.192 2.438 11.322 1.00 0.00 N ATOM 1827 CA ILE B 7 1.849 2.044 11.730 1.00 0.00 C ATOM 1828 C ILE B 7 1.006 1.640 10.526 1.00 0.00 C ATOM 1829 O ILE B 7 1.218 2.123 9.414 1.00 0.00 O ATOM 1830 CB ILE B 7 1.135 3.182 12.484 1.00 0.00 C ATOM 1831 CG1 ILE B 7 2.024 3.714 13.609 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.196 2.696 13.038 1.00 0.00 C ATOM 1833 CD1 ILE B 7 2.120 2.782 14.797 1.00 0.00 C ATOM 0 H ILE B 7 3.380 3.438 11.395 1.00 0.00 H new ATOM 0 HA ILE B 7 1.959 1.189 12.397 1.00 0.00 H new ATOM 0 HB ILE B 7 0.940 3.995 11.785 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.025 3.893 13.216 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.636 4.676 13.943 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.689 3.511 13.568 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.831 2.360 12.218 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.023 1.868 13.726 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.766 3.224 15.555 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.126 2.622 15.216 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.537 1.827 14.477 1.00 0.00 H new HETATM 1845 N PTR B 8 0.046 0.751 10.756 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.831 0.279 9.690 1.00 0.00 C HETATM 1847 C PTR B 8 -2.267 0.739 9.923 1.00 0.00 C HETATM 1848 O PTR B 8 -2.817 0.567 11.011 1.00 0.00 O HETATM 1849 CB PTR B 8 -0.781 -1.247 9.597 1.00 0.00 C HETATM 1850 CG PTR B 8 0.456 -1.771 8.903 1.00 0.00 C HETATM 1851 CD1 PTR B 8 1.724 -1.363 9.299 1.00 0.00 C HETATM 1852 CD2 PTR B 8 0.357 -2.674 7.852 1.00 0.00 C HETATM 1853 CE1 PTR B 8 2.857 -1.838 8.668 1.00 0.00 C HETATM 1854 CE2 PTR B 8 1.485 -3.155 7.216 1.00 0.00 C HETATM 1855 CZ PTR B 8 2.732 -2.735 7.627 1.00 0.00 C HETATM 1856 OH PTR B 8 3.857 -3.212 6.995 1.00 0.00 O HETATM 1857 P PTR B 8 4.886 -4.265 7.622 1.00 0.00 P HETATM 1858 O1P PTR B 8 5.971 -3.552 8.332 1.00 0.00 O HETATM 1859 O2P PTR B 8 4.184 -5.148 8.581 1.00 0.00 O HETATM 1860 O3P PTR B 8 5.478 -5.095 6.549 1.00 0.00 O HETATM 0 HE2 PTR B 8 1.390 -3.863 6.393 1.00 0.00 H new HETATM 0 HE1 PTR B 8 3.844 -1.506 8.990 1.00 0.00 H new HETATM 0 HD2 PTR B 8 -0.627 -3.009 7.524 1.00 0.00 H new HETATM 0 HD1 PTR B 8 1.826 -0.656 10.122 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.828 -1.666 10.602 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -1.664 -1.599 9.063 1.00 0.00 H new HETATM 0 HA PTR B 8 -0.480 0.705 8.750 1.00 0.00 H new ATOM 1869 N SER B 9 -2.869 1.324 8.892 1.00 0.00 N ATOM 1870 CA SER B 9 -4.240 1.812 8.983 1.00 0.00 C ATOM 1871 C SER B 9 -5.236 0.680 8.752 1.00 0.00 C ATOM 1872 O SER B 9 -5.313 0.120 7.658 1.00 0.00 O ATOM 1873 CB SER B 9 -4.474 2.929 7.964 1.00 0.00 C ATOM 1874 OG SER B 9 -3.602 4.022 8.195 1.00 0.00 O ATOM 0 H SER B 9 -2.428 1.471 7.984 1.00 0.00 H new ATOM 0 HA SER B 9 -4.393 2.208 9.987 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.320 2.544 6.956 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.509 3.267 8.022 1.00 0.00 H new ATOM 0 HG SER B 9 -3.771 4.721 7.530 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.995 0.348 9.790 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.987 -0.716 9.701 1.00 0.00 C ATOM 1882 C ASP B 10 -8.159 -0.296 8.819 1.00 0.00 C ATOM 1883 O ASP B 10 -8.168 0.803 8.263 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.492 -1.090 11.096 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.695 -2.219 11.717 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.520 -1.990 12.076 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.244 -3.333 11.845 1.00 0.00 O ATOM 0 H ASP B 10 -5.942 0.800 10.703 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.510 -1.586 9.250 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.442 -0.215 11.744 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.541 -1.381 11.034 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.145 -1.177 8.694 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.322 -0.897 7.878 1.00 0.00 C ATOM 1894 C LEU B 11 -11.520 -0.543 8.753 1.00 0.00 C ATOM 1895 O LEU B 11 -11.395 -0.415 9.970 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.656 -2.105 7.000 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.951 -2.166 5.645 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -10.187 -0.883 4.863 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -8.462 -2.414 5.829 1.00 0.00 C ATOM 0 H LEU B 11 -9.153 -2.091 9.147 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.097 -0.042 7.240 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.412 -3.011 7.555 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.732 -2.117 6.828 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.369 -2.997 5.076 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -9.678 -0.944 3.901 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.256 -0.748 4.700 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.796 -0.036 5.427 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.977 -2.454 4.854 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.028 -1.605 6.417 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.312 -3.361 6.348 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.680 -0.388 8.124 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.902 -0.049 8.846 1.00 0.00 C ATOM 1913 C ASN B 12 -14.485 -1.280 9.533 1.00 0.00 C ATOM 1914 O ASN B 12 -14.718 -1.277 10.743 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.934 0.552 7.891 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.714 -0.509 7.140 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.863 -0.801 7.472 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -15.092 -1.092 6.122 1.00 0.00 N ATOM 0 H ASN B 12 -12.800 -0.492 7.116 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.651 0.688 9.609 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.626 1.177 8.455 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.429 1.201 7.176 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.567 -1.813 5.580 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.139 -0.818 5.882 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.719 -2.331 8.755 1.00 0.00 N ATOM 1926 CA LEU B 13 -15.275 -3.569 9.289 1.00 0.00 C ATOM 1927 C LEU B 13 -14.601 -3.947 10.604 1.00 0.00 C ATOM 1928 O LEU B 13 -15.255 -4.206 11.614 1.00 0.00 O ATOM 1929 CB LEU B 13 -15.112 -4.703 8.275 1.00 0.00 C ATOM 1930 CG LEU B 13 -15.077 -4.287 6.804 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -13.655 -3.961 6.374 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -15.662 -5.384 5.926 1.00 0.00 C ATOM 0 H LEU B 13 -14.532 -2.351 7.752 1.00 0.00 H new ATOM 0 HA LEU B 13 -16.336 -3.409 9.479 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -14.190 -5.238 8.503 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -15.932 -5.408 8.413 1.00 0.00 H new ATOM 0 HG LEU B 13 -15.685 -3.390 6.686 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -13.651 -3.667 5.324 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -13.270 -3.142 6.982 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -13.024 -4.840 6.507 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -15.629 -5.071 4.882 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -15.080 -6.298 6.049 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -16.696 -5.570 6.217 1.00 0.00 H new ATOM 1944 N PRO B 14 -13.260 -3.978 10.593 1.00 0.00 N ATOM 1945 CA PRO B 14 -12.467 -4.321 11.778 1.00 0.00 C ATOM 1946 C PRO B 14 -12.531 -3.239 12.851 1.00 0.00 C ATOM 1947 O PRO B 14 -12.931 -2.102 12.598 1.00 0.00 O ATOM 1948 CB PRO B 14 -11.044 -4.445 11.229 1.00 0.00 C ATOM 1949 CG PRO B 14 -11.032 -3.588 10.009 1.00 0.00 C ATOM 1950 CD PRO B 14 -12.414 -3.681 9.425 1.00 0.00 C ATOM 0 HA PRO B 14 -12.831 -5.226 12.264 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -10.308 -4.106 11.958 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -10.801 -5.480 10.988 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.782 -2.557 10.259 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -10.283 -3.934 9.296 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.709 -2.750 8.942 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -12.480 -4.466 8.672 1.00 0.00 H new ATOM 1958 N PRO B 15 -12.130 -3.598 14.080 1.00 0.00 N ATOM 1959 CA PRO B 15 -12.132 -2.672 15.215 1.00 0.00 C ATOM 1960 C PRO B 15 -11.070 -1.585 15.079 1.00 0.00 C ATOM 1961 O PRO B 15 -10.748 -1.153 13.971 1.00 0.00 O ATOM 1962 CB PRO B 15 -11.821 -3.575 16.411 1.00 0.00 C ATOM 1963 CG PRO B 15 -11.075 -4.728 15.830 1.00 0.00 C ATOM 1964 CD PRO B 15 -11.642 -4.936 14.453 1.00 0.00 C ATOM 0 HA PRO B 15 -13.078 -2.137 15.302 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -11.223 -3.052 17.157 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -12.734 -3.904 16.907 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -10.006 -4.518 15.784 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -11.199 -5.621 16.442 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -10.885 -5.296 13.757 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -12.447 -5.671 14.457 1.00 0.00 H new TER 1972 PRO B 15