USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 152:sc= 1.31 (180deg=0.452) USER MOD Set 1.2: A 91 ASN :FLIP amide:sc= 0 F(o=-0.59!,f=1.3) USER MOD Set 2.1: A 53 GLN :FLIP amide:sc= 0.0808 X(o=1.2,f=1.4) USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= 0.728 F(o=0.47,f=1.4) USER MOD Set 2.3: A 57 HIS : no HD1:sc= 0.569 K(o=1.4,f=-1.9) USER MOD Set 3.1: A 43 ASN :FLIP amide:sc= -2.18! C(o=-3.5!,f=-2.4!) USER MOD Set 3.2: A 59 SER OG : rot 83:sc= 0.342 USER MOD Set 3.3: A 73 CYS SG : rot 180:sc= -0.526 USER MOD Set 4.1: A 14 ASN : amide:sc= 1.07 K(o=3,f=0.099) USER MOD Set 4.2: A 18 THR OG1 : rot -74:sc= 1.89 USER MOD Set 5.1: A 7 SER OG : rot -139:sc= 1.06 USER MOD Set 5.2: A 23 CYS SG : rot 100:sc= -0.0853 USER MOD Set 5.3: A 94 GLN : amide:sc= -0.384 K(o=-2.8,f=-4.5) USER MOD Set 5.4: A 95 ASN : amide:sc= -3.37! C(o=-2.8!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -121:sc= -1.28! USER MOD Single : A 3 TYR OH : rot 40:sc= 0.467 USER MOD Single : A 6 SER OG : rot 55:sc= 0.107 USER MOD Single : A 9 ASN : amide:sc= 1.04 K(o=1,f=-1.5!) USER MOD Single : A 13 THR OG1 : rot 172:sc= -0.602! USER MOD Single : A 25 ASN : amide:sc= -0.58 K(o=-0.58,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 134:sc= 1.25 USER MOD Single : A 39 THR OG1 : rot -26:sc= 0.512 USER MOD Single : A 40 CYS SG : rot -171:sc= -0.285! USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0565 F(o=-2.1!,f=-0.056) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -99:sc= 0.308 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0276) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 1.32 (180deg=1.15) USER MOD Single : A 72 THR OG1 : rot 32:sc= 0.56 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.16) USER MOD Single : A 77 THR OG1 : rot -101:sc= 1.34 USER MOD Single : A 86 GLN :FLIP amide:sc= -1.17 F(o=-4.3!,f=-1.2) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.495 14.373 0.325 1.00 0.00 N ATOM 2 CA MET A 1 0.818 14.055 -0.279 1.00 0.00 C ATOM 3 C MET A 1 1.286 12.685 0.189 1.00 0.00 C ATOM 4 O MET A 1 0.997 12.278 1.312 1.00 0.00 O ATOM 5 CB MET A 1 1.866 15.110 0.108 1.00 0.00 C ATOM 6 CG MET A 1 1.553 16.520 -0.376 1.00 0.00 C ATOM 7 SD MET A 1 0.161 17.275 0.490 1.00 0.00 S ATOM 8 CE MET A 1 0.125 18.895 -0.274 1.00 0.00 C ATOM 0 H1 MET A 1 -0.595 15.404 0.414 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.255 14.002 -0.281 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.559 13.936 1.267 1.00 0.00 H new ATOM 0 HA MET A 1 0.703 14.054 -1.363 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.963 15.126 1.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.833 14.808 -0.294 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.436 17.146 -0.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.336 16.491 -1.444 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.685 19.483 0.157 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.074 19.401 -0.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.036 18.788 -1.347 1.00 0.00 H new ATOM 16 N SER A 2 1.988 11.965 -0.675 1.00 0.00 N ATOM 17 CA SER A 2 2.486 10.646 -0.322 1.00 0.00 C ATOM 18 C SER A 2 4.009 10.610 -0.344 1.00 0.00 C ATOM 19 O SER A 2 4.650 11.548 -0.818 1.00 0.00 O ATOM 20 CB SER A 2 1.931 9.584 -1.273 1.00 0.00 C ATOM 21 OG SER A 2 0.516 9.638 -1.332 1.00 0.00 O ATOM 0 H SER A 2 2.224 12.271 -1.619 1.00 0.00 H new ATOM 0 HA SER A 2 2.147 10.427 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.345 9.733 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.246 8.595 -0.941 1.00 0.00 H new ATOM 0 HG SER A 2 0.144 8.777 -1.049 1.00 0.00 H new ATOM 26 N TYR A 3 4.578 9.526 0.162 1.00 0.00 N ATOM 27 CA TYR A 3 6.028 9.352 0.202 1.00 0.00 C ATOM 28 C TYR A 3 6.654 9.494 -1.187 1.00 0.00 C ATOM 29 O TYR A 3 7.759 10.022 -1.325 1.00 0.00 O ATOM 30 CB TYR A 3 6.373 7.981 0.792 1.00 0.00 C ATOM 31 CG TYR A 3 5.842 6.806 -0.007 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.504 6.437 0.066 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.680 6.068 -0.835 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.017 5.372 -0.661 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.198 4.999 -1.566 1.00 0.00 C ATOM 36 CZ TYR A 3 4.868 4.656 -1.473 1.00 0.00 C ATOM 37 OH TYR A 3 4.381 3.598 -2.200 1.00 0.00 O ATOM 0 H TYR A 3 4.054 8.744 0.555 1.00 0.00 H new ATOM 0 HA TYR A 3 6.440 10.138 0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.457 7.894 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.977 7.925 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.834 6.995 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.724 6.334 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.974 5.101 -0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.861 4.436 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 3 3.497 3.825 -2.556 1.00 0.00 H new ATOM 46 N ALA A 4 5.919 9.053 -2.208 1.00 0.00 N ATOM 47 CA ALA A 4 6.383 9.093 -3.596 1.00 0.00 C ATOM 48 C ALA A 4 6.819 10.494 -4.032 1.00 0.00 C ATOM 49 O ALA A 4 7.531 10.643 -5.023 1.00 0.00 O ATOM 50 CB ALA A 4 5.303 8.560 -4.525 1.00 0.00 C ATOM 0 H ALA A 4 4.985 8.658 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 4 7.264 8.455 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.659 8.595 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.068 7.530 -4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.407 9.173 -4.430 1.00 0.00 H new ATOM 56 N ASP A 5 6.382 11.516 -3.298 1.00 0.00 N ATOM 57 CA ASP A 5 6.749 12.895 -3.604 1.00 0.00 C ATOM 58 C ASP A 5 8.269 13.055 -3.604 1.00 0.00 C ATOM 59 O ASP A 5 8.839 13.714 -4.471 1.00 0.00 O ATOM 60 CB ASP A 5 6.121 13.847 -2.581 1.00 0.00 C ATOM 61 CG ASP A 5 6.492 15.296 -2.823 1.00 0.00 C ATOM 62 OD1 ASP A 5 7.517 15.752 -2.275 1.00 0.00 O ATOM 63 OD2 ASP A 5 5.755 15.988 -3.553 1.00 0.00 O ATOM 0 H ASP A 5 5.773 11.413 -2.486 1.00 0.00 H new ATOM 0 HA ASP A 5 6.372 13.142 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.036 13.744 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.439 13.558 -1.579 1.00 0.00 H new ATOM 67 N SER A 6 8.918 12.429 -2.631 1.00 0.00 N ATOM 68 CA SER A 6 10.364 12.485 -2.514 1.00 0.00 C ATOM 69 C SER A 6 10.932 11.076 -2.342 1.00 0.00 C ATOM 70 O SER A 6 11.895 10.863 -1.607 1.00 0.00 O ATOM 71 CB SER A 6 10.772 13.370 -1.332 1.00 0.00 C ATOM 72 OG SER A 6 10.260 14.687 -1.473 1.00 0.00 O ATOM 0 H SER A 6 8.460 11.874 -1.908 1.00 0.00 H new ATOM 0 HA SER A 6 10.771 12.920 -3.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.405 12.932 -0.404 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.859 13.406 -1.260 1.00 0.00 H new ATOM 0 HG SER A 6 9.288 14.649 -1.595 1.00 0.00 H new ATOM 77 N SER A 7 10.307 10.115 -3.012 1.00 0.00 N ATOM 78 CA SER A 7 10.741 8.725 -2.953 1.00 0.00 C ATOM 79 C SER A 7 10.565 8.064 -4.311 1.00 0.00 C ATOM 80 O SER A 7 9.749 8.507 -5.121 1.00 0.00 O ATOM 81 CB SER A 7 9.947 7.948 -1.902 1.00 0.00 C ATOM 82 OG SER A 7 9.951 8.622 -0.656 1.00 0.00 O ATOM 0 H SER A 7 9.493 10.275 -3.606 1.00 0.00 H new ATOM 0 HA SER A 7 11.795 8.713 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.920 7.815 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.375 6.953 -1.782 1.00 0.00 H new ATOM 0 HG SER A 7 10.072 7.972 0.067 1.00 0.00 H new ATOM 87 N ARG A 8 11.326 7.011 -4.559 1.00 0.00 N ATOM 88 CA ARG A 8 11.248 6.297 -5.822 1.00 0.00 C ATOM 89 C ARG A 8 11.454 4.804 -5.611 1.00 0.00 C ATOM 90 O ARG A 8 11.871 4.378 -4.532 1.00 0.00 O ATOM 91 CB ARG A 8 12.298 6.828 -6.798 1.00 0.00 C ATOM 92 CG ARG A 8 13.723 6.708 -6.287 1.00 0.00 C ATOM 93 CD ARG A 8 14.722 7.035 -7.381 1.00 0.00 C ATOM 94 NE ARG A 8 14.603 6.117 -8.512 1.00 0.00 N ATOM 95 CZ ARG A 8 14.174 6.477 -9.724 1.00 0.00 C ATOM 96 NH1 ARG A 8 13.848 7.744 -9.969 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.086 5.574 -10.690 1.00 0.00 N ATOM 0 H ARG A 8 12.006 6.631 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 8 10.255 6.458 -6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.212 6.286 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.085 7.875 -7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.869 7.382 -5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.898 5.696 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.565 8.058 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.733 6.986 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 8 14.864 5.142 -8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.926 8.443 -9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.521 8.016 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.346 4.605 -10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.758 5.848 -11.616 1.00 0.00 H new ATOM 108 N ASN A 9 11.159 4.025 -6.649 1.00 0.00 N ATOM 109 CA ASN A 9 11.314 2.572 -6.616 1.00 0.00 C ATOM 110 C ASN A 9 10.513 1.946 -5.484 1.00 0.00 C ATOM 111 O ASN A 9 11.065 1.288 -4.596 1.00 0.00 O ATOM 112 CB ASN A 9 12.791 2.187 -6.504 1.00 0.00 C ATOM 113 CG ASN A 9 13.543 2.433 -7.796 1.00 0.00 C ATOM 114 OD1 ASN A 9 12.977 2.332 -8.883 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.820 2.759 -7.688 1.00 0.00 N ATOM 0 H ASN A 9 10.806 4.383 -7.537 1.00 0.00 H new ATOM 0 HA ASN A 9 10.921 2.181 -7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.255 2.759 -5.701 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.871 1.134 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.373 2.937 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.252 2.832 -6.767 1.00 0.00 H new ATOM 121 N ALA A 10 9.205 2.154 -5.523 1.00 0.00 N ATOM 122 CA ALA A 10 8.318 1.608 -4.511 1.00 0.00 C ATOM 123 C ALA A 10 7.834 0.224 -4.927 1.00 0.00 C ATOM 124 O ALA A 10 7.164 0.070 -5.950 1.00 0.00 O ATOM 125 CB ALA A 10 7.140 2.542 -4.279 1.00 0.00 C ATOM 0 H ALA A 10 8.735 2.698 -6.247 1.00 0.00 H new ATOM 0 HA ALA A 10 8.869 1.514 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.484 2.119 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.506 3.513 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.584 2.665 -5.209 1.00 0.00 H new ATOM 131 N VAL A 11 8.181 -0.777 -4.135 1.00 0.00 N ATOM 132 CA VAL A 11 7.788 -2.148 -4.419 1.00 0.00 C ATOM 133 C VAL A 11 6.961 -2.718 -3.279 1.00 0.00 C ATOM 134 O VAL A 11 6.825 -2.091 -2.226 1.00 0.00 O ATOM 135 CB VAL A 11 9.016 -3.051 -4.662 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.787 -2.589 -5.887 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.919 -3.078 -3.441 1.00 0.00 C ATOM 0 H VAL A 11 8.736 -0.665 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 11 7.187 -2.128 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 11 8.659 -4.065 -4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.649 -3.239 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.139 -2.632 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.127 -1.564 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.777 -3.721 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.265 -2.068 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.364 -3.465 -2.586 1.00 0.00 H new ATOM 147 N LEU A 12 6.428 -3.913 -3.490 1.00 0.00 N ATOM 148 CA LEU A 12 5.609 -4.576 -2.488 1.00 0.00 C ATOM 149 C LEU A 12 6.404 -5.687 -1.829 1.00 0.00 C ATOM 150 O LEU A 12 6.787 -6.659 -2.485 1.00 0.00 O ATOM 151 CB LEU A 12 4.338 -5.175 -3.115 1.00 0.00 C ATOM 152 CG LEU A 12 3.252 -4.180 -3.548 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.887 -3.255 -2.401 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.687 -3.386 -4.770 1.00 0.00 C ATOM 0 H LEU A 12 6.550 -4.445 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 12 5.317 -3.831 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.631 -5.760 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.899 -5.869 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 12 2.365 -4.750 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.116 -2.557 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.512 -3.844 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.770 -2.699 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.897 -2.690 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.595 -2.829 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.882 -4.069 -5.597 1.00 0.00 H new ATOM 165 N THR A 13 6.667 -5.536 -0.544 1.00 0.00 N ATOM 166 CA THR A 13 7.414 -6.531 0.196 1.00 0.00 C ATOM 167 C THR A 13 6.498 -7.281 1.155 1.00 0.00 C ATOM 168 O THR A 13 5.361 -6.853 1.407 1.00 0.00 O ATOM 169 CB THR A 13 8.584 -5.888 0.971 1.00 0.00 C ATOM 170 OG1 THR A 13 8.128 -4.744 1.704 1.00 0.00 O ATOM 171 CG2 THR A 13 9.697 -5.475 0.017 1.00 0.00 C ATOM 0 H THR A 13 6.373 -4.731 0.008 1.00 0.00 H new ATOM 0 HA THR A 13 7.830 -7.238 -0.522 1.00 0.00 H new ATOM 0 HB THR A 13 8.975 -6.627 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.846 -4.422 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.512 -5.024 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.066 -6.353 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.311 -4.752 -0.702 1.00 0.00 H new ATOM 179 N ASN A 14 6.983 -8.415 1.653 1.00 0.00 N ATOM 180 CA ASN A 14 6.229 -9.246 2.589 1.00 0.00 C ATOM 181 C ASN A 14 4.943 -9.767 1.959 1.00 0.00 C ATOM 182 O ASN A 14 3.875 -9.735 2.572 1.00 0.00 O ATOM 183 CB ASN A 14 5.927 -8.470 3.877 1.00 0.00 C ATOM 184 CG ASN A 14 7.160 -8.283 4.740 1.00 0.00 C ATOM 185 OD1 ASN A 14 8.037 -9.147 4.781 1.00 0.00 O ATOM 186 ND2 ASN A 14 7.246 -7.154 5.424 1.00 0.00 N ATOM 0 H ASN A 14 7.905 -8.783 1.421 1.00 0.00 H new ATOM 0 HA ASN A 14 6.846 -10.108 2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.514 -7.494 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.164 -9.000 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.060 -6.975 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.498 -6.463 5.364 1.00 0.00 H new ATOM 192 N GLY A 15 5.047 -10.222 0.715 1.00 0.00 N ATOM 193 CA GLY A 15 3.898 -10.762 0.016 1.00 0.00 C ATOM 194 C GLY A 15 3.103 -9.699 -0.712 1.00 0.00 C ATOM 195 O GLY A 15 2.745 -9.864 -1.878 1.00 0.00 O ATOM 0 H GLY A 15 5.913 -10.226 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.233 -11.513 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.249 -11.270 0.730 1.00 0.00 H new ATOM 199 N GLY A 16 2.848 -8.603 -0.020 1.00 0.00 N ATOM 200 CA GLY A 16 2.083 -7.511 -0.580 1.00 0.00 C ATOM 201 C GLY A 16 1.342 -6.775 0.509 1.00 0.00 C ATOM 202 O GLY A 16 0.116 -6.681 0.495 1.00 0.00 O ATOM 0 H GLY A 16 3.164 -8.448 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.748 -6.824 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.375 -7.894 -1.315 1.00 0.00 H new ATOM 206 N ARG A 17 2.096 -6.280 1.473 1.00 0.00 N ATOM 207 CA ARG A 17 1.524 -5.564 2.601 1.00 0.00 C ATOM 208 C ARG A 17 2.419 -4.399 3.024 1.00 0.00 C ATOM 209 O ARG A 17 1.938 -3.377 3.519 1.00 0.00 O ATOM 210 CB ARG A 17 1.340 -6.531 3.773 1.00 0.00 C ATOM 211 CG ARG A 17 2.637 -7.210 4.195 1.00 0.00 C ATOM 212 CD ARG A 17 2.462 -8.070 5.433 1.00 0.00 C ATOM 213 NE ARG A 17 2.280 -7.263 6.639 1.00 0.00 N ATOM 214 CZ ARG A 17 2.741 -7.592 7.844 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.490 -8.678 7.999 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.465 -6.817 8.887 1.00 0.00 N ATOM 0 H ARG A 17 3.112 -6.361 1.498 1.00 0.00 H new ATOM 0 HA ARG A 17 0.558 -5.157 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.927 -5.988 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.611 -7.293 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.004 -7.828 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.396 -6.451 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.600 -8.724 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.334 -8.712 5.555 1.00 0.00 H new ATOM 0 HE ARG A 17 1.764 -6.387 6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.714 -9.263 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.842 -8.927 8.923 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.903 -5.975 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.815 -7.064 9.813 1.00 0.00 H new ATOM 227 N THR A 18 3.718 -4.561 2.819 1.00 0.00 N ATOM 228 CA THR A 18 4.685 -3.553 3.189 1.00 0.00 C ATOM 229 C THR A 18 5.182 -2.789 1.964 1.00 0.00 C ATOM 230 O THR A 18 5.418 -3.379 0.905 1.00 0.00 O ATOM 231 CB THR A 18 5.879 -4.217 3.894 1.00 0.00 C ATOM 232 OG1 THR A 18 5.407 -5.253 4.770 1.00 0.00 O ATOM 233 CG2 THR A 18 6.671 -3.200 4.693 1.00 0.00 C ATOM 0 H THR A 18 4.124 -5.394 2.393 1.00 0.00 H new ATOM 0 HA THR A 18 4.199 -2.847 3.862 1.00 0.00 H new ATOM 0 HB THR A 18 6.533 -4.645 3.134 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.001 -4.849 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.510 -3.695 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.046 -2.425 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.027 -2.748 5.447 1.00 0.00 H new ATOM 241 N LEU A 19 5.308 -1.476 2.102 1.00 0.00 N ATOM 242 CA LEU A 19 5.801 -0.635 1.020 1.00 0.00 C ATOM 243 C LEU A 19 7.278 -0.345 1.214 1.00 0.00 C ATOM 244 O LEU A 19 7.659 0.291 2.195 1.00 0.00 O ATOM 245 CB LEU A 19 5.047 0.693 0.964 1.00 0.00 C ATOM 246 CG LEU A 19 3.594 0.613 0.514 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.993 2.006 0.467 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.493 -0.055 -0.848 1.00 0.00 C ATOM 0 H LEU A 19 5.075 -0.969 2.956 1.00 0.00 H new ATOM 0 HA LEU A 19 5.643 -1.175 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.076 1.148 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.580 1.363 0.290 1.00 0.00 H new ATOM 0 HG LEU A 19 3.036 0.010 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.954 1.943 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.039 2.456 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.555 2.621 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.448 -0.103 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.058 0.523 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.901 -1.064 -0.789 1.00 0.00 H new ATOM 259 N ARG A 20 8.106 -0.816 0.298 1.00 0.00 N ATOM 260 CA ARG A 20 9.538 -0.571 0.380 1.00 0.00 C ATOM 261 C ARG A 20 9.963 0.337 -0.763 1.00 0.00 C ATOM 262 O ARG A 20 9.739 0.013 -1.928 1.00 0.00 O ATOM 263 CB ARG A 20 10.329 -1.875 0.311 1.00 0.00 C ATOM 264 CG ARG A 20 11.796 -1.699 0.668 1.00 0.00 C ATOM 265 CD ARG A 20 12.636 -2.866 0.188 1.00 0.00 C ATOM 266 NE ARG A 20 12.859 -2.817 -1.257 1.00 0.00 N ATOM 267 CZ ARG A 20 13.366 -3.820 -1.966 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.661 -4.974 -1.382 1.00 0.00 N ATOM 269 NH2 ARG A 20 13.576 -3.669 -3.268 1.00 0.00 N ATOM 0 H ARG A 20 7.815 -1.368 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 20 9.747 -0.094 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.881 -2.602 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.252 -2.287 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.170 -0.776 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.898 -1.598 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.596 -2.859 0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.141 -3.802 0.448 1.00 0.00 H new ATOM 0 HE ARG A 20 12.610 -1.960 -1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.499 -5.096 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.050 -5.739 -1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.348 -2.784 -3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.965 -4.437 -3.814 1.00 0.00 H new ATOM 280 N ALA A 21 10.569 1.466 -0.437 1.00 0.00 N ATOM 281 CA ALA A 21 11.002 2.411 -1.454 1.00 0.00 C ATOM 282 C ALA A 21 12.204 3.217 -0.987 1.00 0.00 C ATOM 283 O ALA A 21 12.557 3.202 0.195 1.00 0.00 O ATOM 284 CB ALA A 21 9.856 3.349 -1.808 1.00 0.00 C ATOM 0 H ALA A 21 10.772 1.751 0.521 1.00 0.00 H new ATOM 0 HA ALA A 21 11.299 1.845 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.186 4.055 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.016 2.769 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.545 3.896 -0.918 1.00 0.00 H new ATOM 290 N GLU A 22 12.830 3.909 -1.931 1.00 0.00 N ATOM 291 CA GLU A 22 13.971 4.761 -1.634 1.00 0.00 C ATOM 292 C GLU A 22 13.448 6.147 -1.315 1.00 0.00 C ATOM 293 O GLU A 22 13.001 6.867 -2.206 1.00 0.00 O ATOM 294 CB GLU A 22 14.939 4.819 -2.827 1.00 0.00 C ATOM 295 CG GLU A 22 15.645 3.502 -3.091 1.00 0.00 C ATOM 296 CD GLU A 22 16.448 3.515 -4.374 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.503 4.182 -4.422 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.028 2.853 -5.343 1.00 0.00 O ATOM 0 H GLU A 22 12.563 3.895 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 22 14.522 4.357 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.387 5.113 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.685 5.593 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.307 3.276 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.906 2.702 -3.138 1.00 0.00 H new ATOM 303 N CYS A 23 13.476 6.503 -0.044 1.00 0.00 N ATOM 304 CA CYS A 23 12.975 7.790 0.388 1.00 0.00 C ATOM 305 C CYS A 23 14.113 8.768 0.580 1.00 0.00 C ATOM 306 O CYS A 23 15.089 8.473 1.260 1.00 0.00 O ATOM 307 CB CYS A 23 12.186 7.637 1.686 1.00 0.00 C ATOM 308 SG CYS A 23 10.753 6.546 1.541 1.00 0.00 S ATOM 0 H CYS A 23 13.841 5.917 0.706 1.00 0.00 H new ATOM 0 HA CYS A 23 12.313 8.181 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.849 7.251 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.851 8.621 2.015 1.00 0.00 H new ATOM 0 HG CYS A 23 11.051 5.373 2.016 1.00 0.00 H new ATOM 313 N ARG A 24 14.005 9.919 -0.050 1.00 0.00 N ATOM 314 CA ARG A 24 15.017 10.931 0.069 1.00 0.00 C ATOM 315 C ARG A 24 14.876 11.649 1.401 1.00 0.00 C ATOM 316 O ARG A 24 13.870 12.317 1.652 1.00 0.00 O ATOM 317 CB ARG A 24 14.881 11.912 -1.079 1.00 0.00 C ATOM 318 CG ARG A 24 16.171 12.604 -1.430 1.00 0.00 C ATOM 319 CD ARG A 24 16.005 13.418 -2.692 1.00 0.00 C ATOM 320 NE ARG A 24 15.357 14.704 -2.426 1.00 0.00 N ATOM 321 CZ ARG A 24 15.717 15.854 -2.995 1.00 0.00 C ATOM 322 NH1 ARG A 24 16.708 15.877 -3.878 1.00 0.00 N ATOM 323 NH2 ARG A 24 15.077 16.975 -2.691 1.00 0.00 N ATOM 0 H ARG A 24 13.220 10.172 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 24 16.004 10.470 0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.510 11.383 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.134 12.662 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.478 13.252 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.962 11.866 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.981 13.589 -3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.413 12.855 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 24 14.581 14.721 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.194 15.014 -4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.983 16.758 -4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.308 16.958 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.354 17.855 -3.127 1.00 0.00 H new ATOM 334 N ASN A 25 15.874 11.502 2.251 1.00 0.00 N ATOM 335 CA ASN A 25 15.851 12.136 3.559 1.00 0.00 C ATOM 336 C ASN A 25 16.165 13.620 3.430 1.00 0.00 C ATOM 337 O ASN A 25 16.662 14.056 2.385 1.00 0.00 O ATOM 338 CB ASN A 25 16.822 11.451 4.538 1.00 0.00 C ATOM 339 CG ASN A 25 18.284 11.505 4.120 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.720 12.429 3.441 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.052 10.511 4.531 1.00 0.00 N ATOM 0 H ASN A 25 16.711 10.950 2.062 1.00 0.00 H new ATOM 0 HA ASN A 25 14.847 12.026 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.720 11.918 5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.528 10.407 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.042 10.496 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.655 9.759 5.094 1.00 0.00 H new ATOM 347 N ALA A 26 15.894 14.379 4.490 1.00 0.00 N ATOM 348 CA ALA A 26 16.127 15.824 4.500 1.00 0.00 C ATOM 349 C ALA A 26 17.577 16.172 4.168 1.00 0.00 C ATOM 350 O ALA A 26 17.864 17.245 3.635 1.00 0.00 O ATOM 351 CB ALA A 26 15.748 16.402 5.851 1.00 0.00 C ATOM 0 H ALA A 26 15.509 14.014 5.361 1.00 0.00 H new ATOM 0 HA ALA A 26 15.499 16.264 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.925 17.478 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.693 16.208 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.353 15.936 6.629 1.00 0.00 H new ATOM 357 N ASP A 27 18.485 15.256 4.479 1.00 0.00 N ATOM 358 CA ASP A 27 19.906 15.453 4.206 1.00 0.00 C ATOM 359 C ASP A 27 20.167 15.418 2.702 1.00 0.00 C ATOM 360 O ASP A 27 21.177 15.928 2.216 1.00 0.00 O ATOM 361 CB ASP A 27 20.730 14.380 4.927 1.00 0.00 C ATOM 362 CG ASP A 27 22.215 14.474 4.633 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.863 15.425 5.114 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.740 13.592 3.922 1.00 0.00 O ATOM 0 H ASP A 27 18.263 14.365 4.923 1.00 0.00 H new ATOM 0 HA ASP A 27 20.208 16.431 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.572 14.470 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.369 13.394 4.633 1.00 0.00 H new ATOM 368 N GLY A 28 19.224 14.841 1.972 1.00 0.00 N ATOM 369 CA GLY A 28 19.337 14.744 0.531 1.00 0.00 C ATOM 370 C GLY A 28 19.897 13.410 0.089 1.00 0.00 C ATOM 371 O GLY A 28 20.558 13.322 -0.946 1.00 0.00 O ATOM 0 H GLY A 28 18.372 14.433 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.355 14.891 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.979 15.545 0.164 1.00 0.00 H new ATOM 375 N ASN A 29 19.631 12.369 0.867 1.00 0.00 N ATOM 376 CA ASN A 29 20.136 11.031 0.552 1.00 0.00 C ATOM 377 C ASN A 29 18.995 10.026 0.482 1.00 0.00 C ATOM 378 O ASN A 29 17.984 10.186 1.161 1.00 0.00 O ATOM 379 CB ASN A 29 21.140 10.586 1.615 1.00 0.00 C ATOM 380 CG ASN A 29 22.416 10.025 1.022 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.518 8.831 0.734 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.400 10.885 0.851 1.00 0.00 N ATOM 0 H ASN A 29 19.071 12.420 1.718 1.00 0.00 H new ATOM 0 HA ASN A 29 20.628 11.073 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.385 11.434 2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.678 9.831 2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.291 10.571 0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.271 11.865 1.104 1.00 0.00 H new ATOM 388 N TRP A 30 19.160 8.994 -0.336 1.00 0.00 N ATOM 389 CA TRP A 30 18.136 7.962 -0.484 1.00 0.00 C ATOM 390 C TRP A 30 18.265 6.893 0.593 1.00 0.00 C ATOM 391 O TRP A 30 19.317 6.270 0.739 1.00 0.00 O ATOM 392 CB TRP A 30 18.231 7.281 -1.850 1.00 0.00 C ATOM 393 CG TRP A 30 17.964 8.182 -3.009 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.872 8.627 -3.921 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.706 8.747 -3.387 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.254 9.421 -4.848 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.925 9.516 -4.539 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.414 8.671 -2.865 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.902 10.207 -5.179 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.398 9.362 -3.498 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.647 10.119 -4.646 1.00 0.00 C ATOM 0 H TRP A 30 19.992 8.848 -0.908 1.00 0.00 H new ATOM 0 HA TRP A 30 17.173 8.463 -0.388 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.227 6.853 -1.960 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.523 6.453 -1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.925 8.388 -3.914 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.711 9.870 -5.642 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.212 8.083 -1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.093 10.793 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.395 9.316 -3.099 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.832 10.645 -5.121 1.00 0.00 H new ATOM 411 N VAL A 31 17.198 6.688 1.346 1.00 0.00 N ATOM 412 CA VAL A 31 17.178 5.672 2.384 1.00 0.00 C ATOM 413 C VAL A 31 16.010 4.718 2.177 1.00 0.00 C ATOM 414 O VAL A 31 14.890 5.138 1.889 1.00 0.00 O ATOM 415 CB VAL A 31 17.101 6.268 3.805 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.460 6.781 4.251 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.066 7.377 3.890 1.00 0.00 C ATOM 0 H VAL A 31 16.329 7.215 1.257 1.00 0.00 H new ATOM 0 HA VAL A 31 18.122 5.133 2.301 1.00 0.00 H new ATOM 0 HB VAL A 31 16.792 5.467 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.380 7.196 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.176 5.959 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.800 7.556 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 31 16.040 7.773 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.330 8.175 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.085 6.980 3.630 1.00 0.00 H new ATOM 427 N THR A 32 16.285 3.432 2.303 1.00 0.00 N ATOM 428 CA THR A 32 15.267 2.411 2.128 1.00 0.00 C ATOM 429 C THR A 32 14.405 2.283 3.383 1.00 0.00 C ATOM 430 O THR A 32 14.903 1.932 4.454 1.00 0.00 O ATOM 431 CB THR A 32 15.914 1.049 1.812 1.00 0.00 C ATOM 432 OG1 THR A 32 16.890 1.204 0.772 1.00 0.00 O ATOM 433 CG2 THR A 32 14.869 0.034 1.379 1.00 0.00 C ATOM 0 H THR A 32 17.211 3.068 2.527 1.00 0.00 H new ATOM 0 HA THR A 32 14.635 2.712 1.292 1.00 0.00 H new ATOM 0 HB THR A 32 16.396 0.684 2.719 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.300 0.336 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.354 -0.918 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.142 -0.103 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.361 0.394 0.484 1.00 0.00 H new ATOM 441 N SER A 33 13.124 2.587 3.249 1.00 0.00 N ATOM 442 CA SER A 33 12.195 2.501 4.366 1.00 0.00 C ATOM 443 C SER A 33 10.993 1.645 3.991 1.00 0.00 C ATOM 444 O SER A 33 10.714 1.446 2.805 1.00 0.00 O ATOM 445 CB SER A 33 11.752 3.899 4.796 1.00 0.00 C ATOM 446 OG SER A 33 12.850 4.647 5.296 1.00 0.00 O ATOM 0 H SER A 33 12.702 2.897 2.374 1.00 0.00 H new ATOM 0 HA SER A 33 12.702 2.028 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.307 4.421 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.981 3.821 5.562 1.00 0.00 H new ATOM 0 HG SER A 33 12.839 5.546 4.905 1.00 0.00 H new ATOM 451 N GLU A 34 10.290 1.135 5.001 1.00 0.00 N ATOM 452 CA GLU A 34 9.135 0.279 4.774 1.00 0.00 C ATOM 453 C GLU A 34 7.999 0.606 5.741 1.00 0.00 C ATOM 454 O GLU A 34 8.235 0.971 6.891 1.00 0.00 O ATOM 455 CB GLU A 34 9.527 -1.190 4.940 1.00 0.00 C ATOM 456 CG GLU A 34 10.577 -1.666 3.953 1.00 0.00 C ATOM 457 CD GLU A 34 10.890 -3.137 4.101 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.744 -3.484 4.948 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.284 -3.951 3.373 1.00 0.00 O ATOM 0 H GLU A 34 10.503 1.302 5.984 1.00 0.00 H new ATOM 0 HA GLU A 34 8.788 0.458 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.900 -1.343 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.635 -1.807 4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.230 -1.473 2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.491 -1.088 4.093 1.00 0.00 H new ATOM 464 N LEU A 35 6.768 0.469 5.266 1.00 0.00 N ATOM 465 CA LEU A 35 5.587 0.728 6.087 1.00 0.00 C ATOM 466 C LEU A 35 4.538 -0.345 5.805 1.00 0.00 C ATOM 467 O LEU A 35 4.262 -0.652 4.643 1.00 0.00 O ATOM 468 CB LEU A 35 5.023 2.130 5.783 1.00 0.00 C ATOM 469 CG LEU A 35 4.143 2.772 6.874 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.793 2.085 6.974 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.857 2.746 8.215 1.00 0.00 C ATOM 0 H LEU A 35 6.558 0.178 4.311 1.00 0.00 H new ATOM 0 HA LEU A 35 5.861 0.695 7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.861 2.798 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.438 2.070 4.865 1.00 0.00 H new ATOM 0 HG LEU A 35 3.966 3.810 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.198 2.563 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.273 2.165 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.937 1.033 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.222 3.203 8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.070 1.714 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.791 3.302 8.141 1.00 0.00 H new ATOM 482 N ASP A 36 3.970 -0.919 6.858 1.00 0.00 N ATOM 483 CA ASP A 36 2.955 -1.961 6.705 1.00 0.00 C ATOM 484 C ASP A 36 1.567 -1.346 6.666 1.00 0.00 C ATOM 485 O ASP A 36 1.075 -0.825 7.668 1.00 0.00 O ATOM 486 CB ASP A 36 3.025 -2.975 7.851 1.00 0.00 C ATOM 487 CG ASP A 36 4.333 -3.731 7.895 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.524 -4.641 7.069 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.169 -3.431 8.774 1.00 0.00 O ATOM 0 H ASP A 36 4.192 -0.684 7.825 1.00 0.00 H new ATOM 0 HA ASP A 36 3.153 -2.478 5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.881 -2.455 8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.205 -3.686 7.750 1.00 0.00 H new ATOM 493 N LEU A 37 0.938 -1.397 5.505 1.00 0.00 N ATOM 494 CA LEU A 37 -0.396 -0.839 5.338 1.00 0.00 C ATOM 495 C LEU A 37 -1.477 -1.843 5.728 1.00 0.00 C ATOM 496 O LEU A 37 -2.623 -1.465 5.966 1.00 0.00 O ATOM 497 CB LEU A 37 -0.626 -0.414 3.886 1.00 0.00 C ATOM 498 CG LEU A 37 0.616 0.016 3.110 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.230 0.390 1.694 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.312 1.178 3.795 1.00 0.00 C ATOM 0 H LEU A 37 1.328 -1.819 4.662 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.462 0.028 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.093 -1.244 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.339 0.411 3.878 1.00 0.00 H new ATOM 0 HG LEU A 37 1.314 -0.820 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.119 0.696 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.224 -0.470 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.484 1.213 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.193 1.464 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.629 2.025 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.614 0.880 4.799 1.00 0.00 H new ATOM 511 N ASP A 38 -1.111 -3.117 5.817 1.00 0.00 N ATOM 512 CA ASP A 38 -2.075 -4.172 6.142 1.00 0.00 C ATOM 513 C ASP A 38 -2.670 -4.008 7.537 1.00 0.00 C ATOM 514 O ASP A 38 -3.735 -4.548 7.823 1.00 0.00 O ATOM 515 CB ASP A 38 -1.422 -5.548 6.032 1.00 0.00 C ATOM 516 CG ASP A 38 -0.489 -5.831 7.187 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.621 -5.267 7.206 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.861 -6.623 8.076 1.00 0.00 O ATOM 0 H ASP A 38 -0.157 -3.448 5.670 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.886 -4.086 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.197 -6.314 5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.868 -5.612 5.096 1.00 0.00 H new ATOM 522 N THR A 39 -1.994 -3.263 8.396 1.00 0.00 N ATOM 523 CA THR A 39 -2.474 -3.047 9.753 1.00 0.00 C ATOM 524 C THR A 39 -3.504 -1.911 9.794 1.00 0.00 C ATOM 525 O THR A 39 -4.028 -1.563 10.856 1.00 0.00 O ATOM 526 CB THR A 39 -1.295 -2.747 10.713 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.748 -2.659 12.071 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.596 -1.455 10.329 1.00 0.00 C ATOM 0 H THR A 39 -1.112 -2.798 8.179 1.00 0.00 H new ATOM 0 HA THR A 39 -2.962 -3.963 10.086 1.00 0.00 H new ATOM 0 HB THR A 39 -0.588 -3.572 10.628 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.689 -2.387 12.085 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.227 -1.268 11.018 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.207 -1.539 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.305 -0.629 10.378 1.00 0.00 H new ATOM 536 N CYS A 40 -3.799 -1.331 8.635 1.00 0.00 N ATOM 537 CA CYS A 40 -4.758 -0.235 8.562 1.00 0.00 C ATOM 538 C CYS A 40 -5.719 -0.392 7.380 1.00 0.00 C ATOM 539 O CYS A 40 -6.838 0.116 7.413 1.00 0.00 O ATOM 540 CB CYS A 40 -4.014 1.092 8.468 1.00 0.00 C ATOM 541 SG CYS A 40 -2.818 1.341 9.797 1.00 0.00 S ATOM 0 H CYS A 40 -3.391 -1.599 7.739 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.359 -0.254 9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.497 1.143 7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.737 1.907 8.483 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.376 2.563 9.759 1.00 0.00 H new ATOM 546 N ILE A 41 -5.281 -1.085 6.338 1.00 0.00 N ATOM 547 CA ILE A 41 -6.117 -1.305 5.169 1.00 0.00 C ATOM 548 C ILE A 41 -6.839 -2.639 5.283 1.00 0.00 C ATOM 549 O ILE A 41 -6.247 -3.642 5.689 1.00 0.00 O ATOM 550 CB ILE A 41 -5.292 -1.296 3.862 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.583 0.044 3.681 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.184 -1.589 2.662 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.756 0.125 2.415 1.00 0.00 C ATOM 0 H ILE A 41 -4.353 -1.503 6.279 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.837 -0.488 5.131 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.537 -2.079 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.327 0.841 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.936 0.222 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.584 -1.578 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.644 -2.570 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.962 -0.829 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.281 1.104 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.989 -0.649 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.401 -0.021 1.549 1.00 0.00 H new ATOM 564 N GLY A 42 -8.113 -2.649 4.929 1.00 0.00 N ATOM 565 CA GLY A 42 -8.884 -3.867 4.988 1.00 0.00 C ATOM 566 C GLY A 42 -10.027 -3.849 4.005 1.00 0.00 C ATOM 567 O GLY A 42 -10.476 -2.777 3.597 1.00 0.00 O ATOM 0 H GLY A 42 -8.627 -1.831 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.237 -4.718 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.273 -4.003 5.997 1.00 0.00 H new ATOM 571 N ASN A 43 -10.492 -5.027 3.613 1.00 0.00 N ATOM 572 CA ASN A 43 -11.594 -5.125 2.660 1.00 0.00 C ATOM 573 C ASN A 43 -12.382 -6.432 2.803 1.00 0.00 C ATOM 574 O ASN A 43 -12.657 -7.102 1.812 1.00 0.00 O ATOM 575 CB ASN A 43 -11.060 -4.990 1.227 1.00 0.00 C ATOM 576 CG ASN A 43 -9.965 -5.988 0.898 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.721 -5.608 1.133 1.00 0.00 O flip ATOM 578 ND2 ASN A 43 -10.232 -7.085 0.425 1.00 0.00 N flip ATOM 0 H ASN A 43 -10.128 -5.923 3.936 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.282 -4.309 2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.884 -5.121 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.677 -3.980 1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.204 -7.345 0.257 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.483 -7.739 0.199 1.00 0.00 H new ATOM 584 N PRO A 44 -12.822 -6.796 4.026 1.00 0.00 N ATOM 585 CA PRO A 44 -13.576 -8.039 4.237 1.00 0.00 C ATOM 586 C PRO A 44 -14.968 -7.972 3.615 1.00 0.00 C ATOM 587 O PRO A 44 -15.612 -8.993 3.385 1.00 0.00 O ATOM 588 CB PRO A 44 -13.679 -8.143 5.759 1.00 0.00 C ATOM 589 CG PRO A 44 -13.571 -6.739 6.242 1.00 0.00 C ATOM 590 CD PRO A 44 -12.655 -6.036 5.281 1.00 0.00 C ATOM 0 HA PRO A 44 -13.089 -8.897 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.624 -8.594 6.062 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.883 -8.765 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.550 -6.260 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.172 -6.705 7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.932 -4.989 5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.621 -6.054 5.626 1.00 0.00 H new ATOM 595 N ASN A 45 -15.424 -6.753 3.352 1.00 0.00 N ATOM 596 CA ASN A 45 -16.735 -6.527 2.749 1.00 0.00 C ATOM 597 C ASN A 45 -16.619 -6.487 1.231 1.00 0.00 C ATOM 598 O ASN A 45 -17.621 -6.407 0.524 1.00 0.00 O ATOM 599 CB ASN A 45 -17.351 -5.211 3.243 1.00 0.00 C ATOM 600 CG ASN A 45 -17.830 -5.261 4.686 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.249 -6.139 5.484 1.00 0.00 O flip ATOM 602 ND2 ASN A 45 -18.727 -4.515 5.073 1.00 0.00 N flip ATOM 0 H ASN A 45 -14.902 -5.899 3.548 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.383 -7.352 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.613 -4.415 3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.191 -4.950 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.151 -3.850 4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.047 -4.561 6.040 1.00 0.00 H new ATOM 608 N GLY A 46 -15.389 -6.538 0.735 1.00 0.00 N ATOM 609 CA GLY A 46 -15.170 -6.495 -0.695 1.00 0.00 C ATOM 610 C GLY A 46 -14.860 -5.097 -1.190 1.00 0.00 C ATOM 611 O GLY A 46 -14.817 -4.851 -2.394 1.00 0.00 O ATOM 0 H GLY A 46 -14.541 -6.608 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.346 -7.160 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.056 -6.871 -1.207 1.00 0.00 H new ATOM 615 N PHE A 47 -14.660 -4.174 -0.258 1.00 0.00 N ATOM 616 CA PHE A 47 -14.350 -2.794 -0.602 1.00 0.00 C ATOM 617 C PHE A 47 -13.067 -2.357 0.079 1.00 0.00 C ATOM 618 O PHE A 47 -12.866 -2.612 1.266 1.00 0.00 O ATOM 619 CB PHE A 47 -15.498 -1.864 -0.217 1.00 0.00 C ATOM 620 CG PHE A 47 -16.773 -2.180 -0.939 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.832 -2.125 -2.323 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.909 -2.532 -0.236 1.00 0.00 C ATOM 623 CE1 PHE A 47 -18.007 -2.415 -2.990 1.00 0.00 C ATOM 624 CE2 PHE A 47 -19.086 -2.824 -0.894 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.136 -2.766 -2.275 1.00 0.00 C ATOM 0 H PHE A 47 -14.707 -4.358 0.744 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.213 -2.735 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.669 -1.932 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.212 -0.834 -0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.951 -1.853 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.875 -2.579 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.043 -2.367 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.967 -3.097 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 47 -20.056 -2.995 -2.793 1.00 0.00 H new ATOM 634 N LEU A 48 -12.220 -1.681 -0.673 1.00 0.00 N ATOM 635 CA LEU A 48 -10.937 -1.221 -0.172 1.00 0.00 C ATOM 636 C LEU A 48 -11.076 0.091 0.580 1.00 0.00 C ATOM 637 O LEU A 48 -11.794 0.995 0.152 1.00 0.00 O ATOM 638 CB LEU A 48 -9.968 -1.042 -1.339 1.00 0.00 C ATOM 639 CG LEU A 48 -9.471 -2.336 -1.981 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.587 -2.030 -3.175 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.713 -3.172 -0.966 1.00 0.00 C ATOM 0 H LEU A 48 -12.400 -1.435 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.553 -1.970 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.456 -0.440 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.105 -0.475 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.335 -2.904 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.242 -2.963 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.155 -1.464 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.728 -1.443 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.365 -4.091 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.857 -2.608 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.372 -3.419 -0.133 1.00 0.00 H new ATOM 652 N GLY A 49 -10.390 0.180 1.706 1.00 0.00 N ATOM 653 CA GLY A 49 -10.429 1.383 2.506 1.00 0.00 C ATOM 654 C GLY A 49 -9.590 1.254 3.756 1.00 0.00 C ATOM 655 O GLY A 49 -9.094 0.168 4.073 1.00 0.00 O ATOM 0 H GLY A 49 -9.803 -0.565 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.071 2.225 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.460 1.603 2.782 1.00 0.00 H new ATOM 659 N TRP A 50 -9.428 2.359 4.463 1.00 0.00 N ATOM 660 CA TRP A 50 -8.651 2.373 5.691 1.00 0.00 C ATOM 661 C TRP A 50 -9.585 2.202 6.883 1.00 0.00 C ATOM 662 O TRP A 50 -10.550 2.958 7.039 1.00 0.00 O ATOM 663 CB TRP A 50 -7.867 3.685 5.824 1.00 0.00 C ATOM 664 CG TRP A 50 -6.863 3.918 4.731 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.089 4.485 3.508 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.467 3.602 4.771 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.917 4.539 2.789 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.912 3.998 3.538 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.633 3.025 5.728 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.563 3.833 3.242 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.294 2.858 5.431 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.772 3.262 4.196 1.00 0.00 C ATOM 0 H TRP A 50 -9.826 3.262 4.206 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.937 1.550 5.664 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.572 4.516 5.837 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.350 3.690 6.784 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.047 4.839 3.157 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.816 4.921 1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.027 2.714 6.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.156 4.146 2.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.639 2.409 6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.721 3.119 3.994 1.00 0.00 H new ATOM 682 N GLY A 51 -9.303 1.212 7.715 1.00 0.00 N ATOM 683 CA GLY A 51 -10.135 0.958 8.872 1.00 0.00 C ATOM 684 C GLY A 51 -9.939 -0.435 9.425 1.00 0.00 C ATOM 685 O GLY A 51 -9.757 -0.617 10.629 1.00 0.00 O ATOM 0 H GLY A 51 -8.511 0.578 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.908 1.690 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.182 1.095 8.601 1.00 0.00 H new ATOM 689 N MET A 52 -9.966 -1.416 8.539 1.00 0.00 N ATOM 690 CA MET A 52 -9.809 -2.811 8.926 1.00 0.00 C ATOM 691 C MET A 52 -8.341 -3.221 8.893 1.00 0.00 C ATOM 692 O MET A 52 -7.452 -2.372 8.932 1.00 0.00 O ATOM 693 CB MET A 52 -10.627 -3.696 7.993 1.00 0.00 C ATOM 694 CG MET A 52 -11.775 -4.414 8.685 1.00 0.00 C ATOM 695 SD MET A 52 -12.990 -3.275 9.377 1.00 0.00 S ATOM 696 CE MET A 52 -14.215 -4.426 9.998 1.00 0.00 C ATOM 0 H MET A 52 -10.096 -1.272 7.538 1.00 0.00 H new ATOM 0 HA MET A 52 -10.170 -2.934 9.947 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.027 -3.085 7.184 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.969 -4.436 7.538 1.00 0.00 H new ATOM 0 HG2 MET A 52 -12.267 -5.075 7.972 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.378 -5.043 9.481 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.034 -3.873 10.457 1.00 0.00 H new ATOM 0 HE2 MET A 52 -14.600 -5.027 9.174 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.757 -5.079 10.741 1.00 0.00 H new ATOM 704 N GLN A 53 -8.087 -4.521 8.845 1.00 0.00 N ATOM 705 CA GLN A 53 -6.725 -5.027 8.821 1.00 0.00 C ATOM 706 C GLN A 53 -6.646 -6.303 7.993 1.00 0.00 C ATOM 707 O GLN A 53 -7.677 -6.868 7.620 1.00 0.00 O ATOM 708 CB GLN A 53 -6.252 -5.312 10.247 1.00 0.00 C ATOM 709 CG GLN A 53 -7.027 -6.431 10.924 1.00 0.00 C ATOM 710 CD GLN A 53 -6.522 -6.733 12.318 1.00 0.00 C ATOM 711 OE1 GLN A 53 -7.103 -6.085 13.315 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.622 -7.554 12.496 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.807 -5.243 8.822 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.082 -4.272 8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.194 -5.573 10.226 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.345 -4.403 10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.081 -6.158 10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.961 -7.333 10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.202 -8.031 11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.297 -7.757 13.441 1.00 0.00 H new ATOM 719 N ASN A 54 -5.415 -6.737 7.706 1.00 0.00 N ATOM 720 CA ASN A 54 -5.159 -7.961 6.942 1.00 0.00 C ATOM 721 C ASN A 54 -5.833 -7.940 5.576 1.00 0.00 C ATOM 722 O ASN A 54 -6.438 -8.929 5.161 1.00 0.00 O ATOM 723 CB ASN A 54 -5.622 -9.197 7.725 1.00 0.00 C ATOM 724 CG ASN A 54 -4.566 -9.722 8.681 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.609 -9.275 9.928 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.731 -10.547 8.301 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.568 -6.249 7.997 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.082 -8.012 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.522 -8.948 8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.893 -9.985 7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.733 -10.865 7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.039 -10.911 8.956 1.00 0.00 H new ATOM 732 N PHE A 55 -5.712 -6.826 4.862 1.00 0.00 N ATOM 733 CA PHE A 55 -6.325 -6.711 3.544 1.00 0.00 C ATOM 734 C PHE A 55 -5.681 -7.680 2.562 1.00 0.00 C ATOM 735 O PHE A 55 -6.327 -8.140 1.629 1.00 0.00 O ATOM 736 CB PHE A 55 -6.230 -5.276 3.007 1.00 0.00 C ATOM 737 CG PHE A 55 -4.906 -4.918 2.387 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.781 -4.744 3.170 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.796 -4.748 1.015 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.567 -4.409 2.600 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.586 -4.410 0.439 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.471 -4.240 1.232 1.00 0.00 C ATOM 0 H PHE A 55 -5.201 -5.998 5.169 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.379 -6.967 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.014 -5.129 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.431 -4.584 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.851 -4.871 4.240 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.666 -4.881 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.695 -4.280 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.514 -4.279 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.524 -3.975 0.785 1.00 0.00 H new ATOM 751 N SER A 56 -4.412 -7.997 2.793 1.00 0.00 N ATOM 752 CA SER A 56 -3.672 -8.904 1.931 1.00 0.00 C ATOM 753 C SER A 56 -4.351 -10.273 1.841 1.00 0.00 C ATOM 754 O SER A 56 -4.385 -10.889 0.775 1.00 0.00 O ATOM 755 CB SER A 56 -2.242 -9.041 2.450 1.00 0.00 C ATOM 756 OG SER A 56 -1.669 -7.763 2.674 1.00 0.00 O ATOM 0 H SER A 56 -3.872 -7.634 3.579 1.00 0.00 H new ATOM 0 HA SER A 56 -3.653 -8.489 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.239 -9.615 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.639 -9.595 1.730 1.00 0.00 H new ATOM 0 HG SER A 56 -1.099 -7.522 1.914 1.00 0.00 H new ATOM 761 N HIS A 57 -4.919 -10.729 2.955 1.00 0.00 N ATOM 762 CA HIS A 57 -5.603 -12.019 2.991 1.00 0.00 C ATOM 763 C HIS A 57 -6.939 -11.961 2.264 1.00 0.00 C ATOM 764 O HIS A 57 -7.502 -12.988 1.889 1.00 0.00 O ATOM 765 CB HIS A 57 -5.825 -12.478 4.431 1.00 0.00 C ATOM 766 CG HIS A 57 -4.628 -13.121 5.050 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.962 -12.601 6.140 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.988 -14.267 4.733 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.961 -13.400 6.460 1.00 0.00 C ATOM 770 NE2 HIS A 57 -2.958 -14.419 5.623 1.00 0.00 N ATOM 0 H HIS A 57 -4.919 -10.226 3.842 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.961 -12.737 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.118 -11.619 5.035 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -6.657 -13.182 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.241 -14.939 3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.263 -13.245 7.270 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.296 -15.195 5.636 1.00 0.00 H new ATOM 778 N SER A 58 -7.440 -10.758 2.051 1.00 0.00 N ATOM 779 CA SER A 58 -8.715 -10.587 1.388 1.00 0.00 C ATOM 780 C SER A 58 -8.551 -9.924 0.022 1.00 0.00 C ATOM 781 O SER A 58 -9.517 -9.470 -0.568 1.00 0.00 O ATOM 782 CB SER A 58 -9.651 -9.762 2.277 1.00 0.00 C ATOM 783 OG SER A 58 -9.832 -10.390 3.541 1.00 0.00 O ATOM 0 H SER A 58 -6.983 -9.889 2.327 1.00 0.00 H new ATOM 0 HA SER A 58 -9.150 -11.572 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.239 -8.763 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.616 -9.642 1.784 1.00 0.00 H new ATOM 0 HG SER A 58 -10.431 -9.846 4.094 1.00 0.00 H new ATOM 788 N SER A 59 -7.337 -9.879 -0.495 1.00 0.00 N ATOM 789 CA SER A 59 -7.111 -9.262 -1.793 1.00 0.00 C ATOM 790 C SER A 59 -6.185 -10.101 -2.659 1.00 0.00 C ATOM 791 O SER A 59 -5.293 -10.788 -2.162 1.00 0.00 O ATOM 792 CB SER A 59 -6.533 -7.860 -1.629 1.00 0.00 C ATOM 793 OG SER A 59 -7.413 -7.023 -0.900 1.00 0.00 O ATOM 0 H SER A 59 -6.502 -10.256 -0.046 1.00 0.00 H new ATOM 0 HA SER A 59 -8.078 -9.196 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.573 -7.918 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.344 -7.425 -2.610 1.00 0.00 H new ATOM 0 HG SER A 59 -7.286 -7.172 0.060 1.00 0.00 H new ATOM 798 N GLU A 60 -6.412 -10.030 -3.956 1.00 0.00 N ATOM 799 CA GLU A 60 -5.620 -10.767 -4.925 1.00 0.00 C ATOM 800 C GLU A 60 -4.888 -9.816 -5.861 1.00 0.00 C ATOM 801 O GLU A 60 -5.404 -8.744 -6.190 1.00 0.00 O ATOM 802 CB GLU A 60 -6.519 -11.701 -5.735 1.00 0.00 C ATOM 803 CG GLU A 60 -6.907 -12.967 -4.995 1.00 0.00 C ATOM 804 CD GLU A 60 -5.713 -13.860 -4.731 1.00 0.00 C ATOM 805 OE1 GLU A 60 -5.027 -14.239 -5.705 1.00 0.00 O ATOM 806 OE2 GLU A 60 -5.459 -14.188 -3.556 1.00 0.00 O ATOM 0 H GLU A 60 -7.150 -9.460 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.881 -11.358 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.424 -11.164 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.008 -11.973 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.378 -12.703 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.647 -13.515 -5.578 1.00 0.00 H new ATOM 811 N ASP A 61 -3.684 -10.218 -6.268 1.00 0.00 N ATOM 812 CA ASP A 61 -2.854 -9.433 -7.188 1.00 0.00 C ATOM 813 C ASP A 61 -2.608 -8.025 -6.662 1.00 0.00 C ATOM 814 O ASP A 61 -2.949 -7.037 -7.316 1.00 0.00 O ATOM 815 CB ASP A 61 -3.499 -9.365 -8.577 1.00 0.00 C ATOM 816 CG ASP A 61 -3.574 -10.715 -9.254 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.602 -11.095 -9.937 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.611 -11.394 -9.123 1.00 0.00 O ATOM 0 H ASP A 61 -3.255 -11.095 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.892 -9.939 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.504 -8.953 -8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.929 -8.680 -9.204 1.00 0.00 H new ATOM 822 N ILE A 62 -2.012 -7.937 -5.483 1.00 0.00 N ATOM 823 CA ILE A 62 -1.714 -6.652 -4.869 1.00 0.00 C ATOM 824 C ILE A 62 -0.508 -6.005 -5.542 1.00 0.00 C ATOM 825 O ILE A 62 0.611 -6.510 -5.451 1.00 0.00 O ATOM 826 CB ILE A 62 -1.450 -6.815 -3.358 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.699 -7.374 -2.675 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.036 -5.488 -2.732 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.517 -7.664 -1.202 1.00 0.00 C ATOM 0 H ILE A 62 -1.724 -8.744 -4.930 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.581 -6.005 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.627 -7.516 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.516 -6.663 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.997 -8.292 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.856 -5.629 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.125 -5.129 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.832 -4.756 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.447 -8.057 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.723 -8.399 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.250 -6.745 -0.681 1.00 0.00 H new ATOM 840 N LYS A 63 -0.742 -4.890 -6.219 1.00 0.00 N ATOM 841 CA LYS A 63 0.320 -4.180 -6.911 1.00 0.00 C ATOM 842 C LYS A 63 0.033 -2.681 -6.897 1.00 0.00 C ATOM 843 O LYS A 63 -1.118 -2.269 -6.794 1.00 0.00 O ATOM 844 CB LYS A 63 0.431 -4.699 -8.348 1.00 0.00 C ATOM 845 CG LYS A 63 1.760 -4.391 -9.019 1.00 0.00 C ATOM 846 CD LYS A 63 2.932 -4.906 -8.195 1.00 0.00 C ATOM 847 CE LYS A 63 4.214 -4.933 -9.007 1.00 0.00 C ATOM 848 NZ LYS A 63 4.242 -6.077 -9.956 1.00 0.00 N ATOM 0 H LYS A 63 -1.662 -4.458 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 63 1.269 -4.353 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.279 -5.778 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.373 -4.265 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.783 -4.845 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.857 -3.314 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.068 -4.272 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.709 -5.909 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.314 -3.999 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.069 -4.998 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.188 -6.152 -10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.020 -6.956 -9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.537 -5.924 -10.705 1.00 0.00 H new ATOM 858 N LEU A 64 1.075 -1.873 -7.004 1.00 0.00 N ATOM 859 CA LEU A 64 0.921 -0.423 -6.984 1.00 0.00 C ATOM 860 C LEU A 64 0.531 0.109 -8.356 1.00 0.00 C ATOM 861 O LEU A 64 1.048 -0.331 -9.384 1.00 0.00 O ATOM 862 CB LEU A 64 2.212 0.229 -6.494 1.00 0.00 C ATOM 863 CG LEU A 64 2.483 0.037 -5.004 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.919 0.403 -4.665 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.516 0.869 -4.177 1.00 0.00 C ATOM 0 H LEU A 64 2.038 -2.194 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 64 0.115 -0.170 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.050 -0.179 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.171 1.297 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 64 2.332 -1.015 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.089 0.258 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.600 -0.233 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.099 1.447 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.723 0.721 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.638 1.923 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.493 0.561 -4.394 1.00 0.00 H new ATOM 876 N GLU A 65 -0.389 1.064 -8.339 1.00 0.00 N ATOM 877 CA GLU A 65 -0.916 1.677 -9.548 1.00 0.00 C ATOM 878 C GLU A 65 -0.077 2.885 -9.964 1.00 0.00 C ATOM 879 O GLU A 65 0.718 2.807 -10.898 1.00 0.00 O ATOM 880 CB GLU A 65 -2.371 2.101 -9.294 1.00 0.00 C ATOM 881 CG GLU A 65 -3.232 2.255 -10.541 1.00 0.00 C ATOM 882 CD GLU A 65 -2.803 3.390 -11.450 1.00 0.00 C ATOM 883 OE1 GLU A 65 -1.957 3.164 -12.341 1.00 0.00 O ATOM 884 OE2 GLU A 65 -3.318 4.511 -11.286 1.00 0.00 O ATOM 0 H GLU A 65 -0.792 1.437 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.876 0.953 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.837 1.365 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.367 3.049 -8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.207 1.322 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.266 2.417 -10.238 1.00 0.00 H new ATOM 889 N GLU A 66 -0.242 3.994 -9.245 1.00 0.00 N ATOM 890 CA GLU A 66 0.467 5.235 -9.551 1.00 0.00 C ATOM 891 C GLU A 66 1.912 5.195 -9.065 1.00 0.00 C ATOM 892 O GLU A 66 2.391 6.132 -8.427 1.00 0.00 O ATOM 893 CB GLU A 66 -0.254 6.420 -8.914 1.00 0.00 C ATOM 894 CG GLU A 66 -1.763 6.323 -9.011 1.00 0.00 C ATOM 895 CD GLU A 66 -2.475 7.571 -8.528 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.121 8.089 -7.449 1.00 0.00 O ATOM 897 OE2 GLU A 66 -3.390 8.048 -9.234 1.00 0.00 O ATOM 0 H GLU A 66 -0.866 4.058 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 66 0.478 5.348 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.032 6.490 -7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.076 7.340 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.042 6.131 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.104 5.469 -8.426 1.00 0.00 H new ATOM 902 N GLY A 67 2.581 4.085 -9.335 1.00 0.00 N ATOM 903 CA GLY A 67 3.972 3.918 -8.944 1.00 0.00 C ATOM 904 C GLY A 67 4.183 3.886 -7.441 1.00 0.00 C ATOM 905 O GLY A 67 5.316 3.794 -6.976 1.00 0.00 O ATOM 0 H GLY A 67 2.182 3.284 -9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.353 2.992 -9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.560 4.733 -9.367 1.00 0.00 H new ATOM 909 N GLY A 68 3.101 3.960 -6.678 1.00 0.00 N ATOM 910 CA GLY A 68 3.227 3.938 -5.237 1.00 0.00 C ATOM 911 C GLY A 68 2.258 4.871 -4.545 1.00 0.00 C ATOM 912 O GLY A 68 2.064 4.779 -3.337 1.00 0.00 O ATOM 0 H GLY A 68 2.146 4.034 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.063 2.922 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.246 4.212 -4.963 1.00 0.00 H new ATOM 916 N ARG A 69 1.641 5.771 -5.303 1.00 0.00 N ATOM 917 CA ARG A 69 0.686 6.708 -4.723 1.00 0.00 C ATOM 918 C ARG A 69 -0.649 6.009 -4.492 1.00 0.00 C ATOM 919 O ARG A 69 -1.480 6.463 -3.706 1.00 0.00 O ATOM 920 CB ARG A 69 0.455 7.900 -5.653 1.00 0.00 C ATOM 921 CG ARG A 69 1.719 8.582 -6.150 1.00 0.00 C ATOM 922 CD ARG A 69 2.000 9.865 -5.387 1.00 0.00 C ATOM 923 NE ARG A 69 3.101 10.623 -5.982 1.00 0.00 N ATOM 924 CZ ARG A 69 3.405 11.880 -5.659 1.00 0.00 C ATOM 925 NH1 ARG A 69 2.699 12.526 -4.740 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.418 12.493 -6.258 1.00 0.00 N ATOM 0 H ARG A 69 1.782 5.871 -6.308 1.00 0.00 H new ATOM 0 HA ARG A 69 1.097 7.064 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.121 7.563 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.155 8.636 -5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.565 7.903 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.619 8.804 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.102 10.482 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.242 9.626 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 69 3.672 10.160 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.919 12.061 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.937 13.488 -4.497 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.964 12.002 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.650 13.455 -6.011 1.00 0.00 H new ATOM 937 N LYS A 70 -0.841 4.895 -5.186 1.00 0.00 N ATOM 938 CA LYS A 70 -2.078 4.140 -5.089 1.00 0.00 C ATOM 939 C LYS A 70 -1.803 2.646 -5.191 1.00 0.00 C ATOM 940 O LYS A 70 -0.924 2.223 -5.938 1.00 0.00 O ATOM 941 CB LYS A 70 -3.022 4.588 -6.206 1.00 0.00 C ATOM 942 CG LYS A 70 -4.452 4.115 -6.036 1.00 0.00 C ATOM 943 CD LYS A 70 -5.420 5.106 -6.647 1.00 0.00 C ATOM 944 CE LYS A 70 -6.864 4.677 -6.461 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.799 5.816 -6.650 1.00 0.00 N ATOM 0 H LYS A 70 -0.152 4.495 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.543 4.329 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.015 5.677 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.640 4.221 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.576 3.140 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.675 3.988 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.271 6.086 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.207 5.212 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.104 3.886 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.995 4.259 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.736 5.455 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.877 6.352 -5.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.439 6.440 -7.400 1.00 0.00 H new ATOM 955 N LEU A 71 -2.555 1.864 -4.438 1.00 0.00 N ATOM 956 CA LEU A 71 -2.413 0.417 -4.432 1.00 0.00 C ATOM 957 C LEU A 71 -3.642 -0.201 -5.090 1.00 0.00 C ATOM 958 O LEU A 71 -4.772 0.185 -4.794 1.00 0.00 O ATOM 959 CB LEU A 71 -2.247 -0.074 -2.986 1.00 0.00 C ATOM 960 CG LEU A 71 -1.957 -1.570 -2.801 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.215 -1.802 -1.494 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.246 -2.380 -2.813 1.00 0.00 C ATOM 0 H LEU A 71 -3.282 2.213 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.529 0.117 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.437 0.490 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.157 0.168 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.334 -1.900 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.015 -2.867 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.272 -1.255 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.825 -1.451 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.013 -3.437 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.893 -2.046 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.756 -2.238 -3.766 1.00 0.00 H new ATOM 973 N THR A 72 -3.421 -1.136 -5.992 1.00 0.00 N ATOM 974 CA THR A 72 -4.510 -1.799 -6.690 1.00 0.00 C ATOM 975 C THR A 72 -4.488 -3.305 -6.461 1.00 0.00 C ATOM 976 O THR A 72 -3.441 -3.949 -6.566 1.00 0.00 O ATOM 977 CB THR A 72 -4.465 -1.511 -8.201 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.104 -1.484 -8.659 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.148 -0.192 -8.519 1.00 0.00 C ATOM 0 H THR A 72 -2.491 -1.457 -6.262 1.00 0.00 H new ATOM 0 HA THR A 72 -5.436 -1.396 -6.280 1.00 0.00 H new ATOM 0 HB THR A 72 -4.999 -2.308 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.569 -2.113 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.104 -0.009 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.190 -0.236 -8.201 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.641 0.616 -7.992 1.00 0.00 H new ATOM 987 N CYS A 73 -5.648 -3.848 -6.131 1.00 0.00 N ATOM 988 CA CYS A 73 -5.803 -5.270 -5.888 1.00 0.00 C ATOM 989 C CYS A 73 -7.273 -5.638 -5.995 1.00 0.00 C ATOM 990 O CYS A 73 -8.134 -4.762 -6.043 1.00 0.00 O ATOM 991 CB CYS A 73 -5.268 -5.631 -4.502 1.00 0.00 C ATOM 992 SG CYS A 73 -6.043 -4.714 -3.148 1.00 0.00 S ATOM 0 H CYS A 73 -6.510 -3.313 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.235 -5.828 -6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.415 -6.698 -4.334 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.193 -5.450 -4.481 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.526 -5.091 -2.017 1.00 0.00 H new ATOM 997 N ARG A 74 -7.570 -6.919 -6.057 1.00 0.00 N ATOM 998 CA ARG A 74 -8.951 -7.356 -6.139 1.00 0.00 C ATOM 999 C ARG A 74 -9.443 -7.813 -4.774 1.00 0.00 C ATOM 1000 O ARG A 74 -9.081 -8.898 -4.306 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.106 -8.473 -7.171 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.457 -9.173 -7.126 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.479 -10.402 -8.019 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.672 -11.221 -7.795 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.654 -12.553 -7.689 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.513 -13.221 -7.811 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.777 -13.225 -7.479 1.00 0.00 N ATOM 0 H ARG A 74 -6.882 -7.672 -6.052 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.561 -6.512 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.957 -8.057 -8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.320 -9.211 -7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.683 -9.464 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.237 -8.480 -7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.443 -10.092 -9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.588 -11.001 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.571 -10.746 -7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.644 -12.717 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.506 -14.238 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.663 -12.725 -7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.756 -14.242 -7.399 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.234 -6.967 -4.099 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.797 -7.292 -2.795 1.00 0.00 C ATOM 1020 C PRO A 75 -11.804 -8.423 -2.915 1.00 0.00 C ATOM 1021 O PRO A 75 -12.779 -8.320 -3.660 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.486 -5.996 -2.361 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.765 -5.272 -3.630 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.640 -5.629 -4.556 1.00 0.00 C ATOM 0 HA PRO A 75 -10.045 -7.628 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.405 -6.201 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.846 -5.409 -1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.726 -5.571 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.810 -4.195 -3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.964 -5.641 -5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.820 -4.914 -4.486 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.545 -9.505 -2.207 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.412 -10.664 -2.237 1.00 0.00 C ATOM 1031 C LYS A 76 -12.968 -10.957 -0.853 1.00 0.00 C ATOM 1032 O LYS A 76 -12.311 -10.726 0.160 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.666 -11.881 -2.808 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.363 -12.253 -2.095 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.603 -13.098 -0.849 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.711 -14.331 -0.817 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.280 -14.000 -0.586 1.00 0.00 N ATOM 0 H LYS A 76 -10.732 -9.604 -1.599 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.255 -10.448 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.334 -12.741 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.443 -11.688 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.719 -12.800 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.832 -11.343 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.419 -12.494 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.648 -13.405 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.055 -15.003 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.807 -14.868 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.689 -14.818 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.013 -13.185 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.135 -13.765 0.417 1.00 0.00 H new ATOM 1047 N THR A 77 -14.190 -11.458 -0.818 1.00 0.00 N ATOM 1048 CA THR A 77 -14.830 -11.790 0.433 1.00 0.00 C ATOM 1049 C THR A 77 -14.310 -13.132 0.921 1.00 0.00 C ATOM 1050 O THR A 77 -14.047 -14.032 0.118 1.00 0.00 O ATOM 1051 CB THR A 77 -16.357 -11.842 0.278 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.978 -11.784 1.565 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.782 -13.102 -0.464 1.00 0.00 C ATOM 0 H THR A 77 -14.756 -11.643 -1.646 1.00 0.00 H new ATOM 0 HA THR A 77 -14.594 -11.015 1.162 1.00 0.00 H new ATOM 0 HB THR A 77 -16.678 -10.981 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.251 -12.685 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.867 -13.118 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.328 -13.111 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.455 -13.980 0.093 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.187 -13.257 2.235 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.662 -14.463 2.868 1.00 0.00 C ATOM 1063 C VAL A 78 -14.646 -15.637 2.797 1.00 0.00 C ATOM 1064 O VAL A 78 -14.289 -16.771 3.119 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.285 -14.178 4.338 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -14.523 -13.938 5.186 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -12.428 -15.293 4.923 1.00 0.00 C ATOM 0 H VAL A 78 -14.448 -12.525 2.895 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.770 -14.752 2.312 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.688 -13.266 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.226 -13.740 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.071 -13.081 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.161 -14.821 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.182 -15.058 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.979 -16.233 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.509 -15.387 4.344 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.878 -15.366 2.367 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.897 -16.413 2.242 1.00 0.00 C ATOM 1079 C ASP A 79 -16.419 -17.502 1.292 1.00 0.00 C ATOM 1080 O ASP A 79 -16.793 -18.668 1.418 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.212 -15.843 1.708 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.812 -14.788 2.607 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -18.461 -13.608 2.447 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.642 -15.132 3.468 1.00 0.00 O ATOM 0 H ASP A 79 -16.196 -14.434 2.100 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.064 -16.828 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.040 -15.415 0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.928 -16.655 1.583 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.589 -17.099 0.343 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.057 -18.026 -0.639 1.00 0.00 C ATOM 1090 C GLY A 80 -13.951 -17.402 -1.462 1.00 0.00 C ATOM 1091 O GLY A 80 -13.088 -18.101 -1.996 1.00 0.00 O ATOM 0 H GLY A 80 -15.270 -16.136 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.676 -18.913 -0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.859 -18.356 -1.299 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.969 -16.078 -1.557 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.961 -15.376 -2.318 1.00 0.00 C ATOM 1097 C GLY A 81 -13.540 -14.735 -3.552 1.00 0.00 C ATOM 1098 O GLY A 81 -12.839 -14.500 -4.534 1.00 0.00 O ATOM 0 H GLY A 81 -14.668 -15.479 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.500 -14.611 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.172 -16.071 -2.605 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.824 -14.433 -3.494 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.514 -13.830 -4.624 1.00 0.00 C ATOM 1104 C PHE A 82 -15.873 -12.394 -4.306 1.00 0.00 C ATOM 1105 O PHE A 82 -16.244 -12.098 -3.178 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.764 -14.642 -4.992 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.636 -15.005 -3.820 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.410 -16.178 -3.117 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.675 -14.181 -3.421 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.201 -16.522 -2.040 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.469 -14.520 -2.343 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.230 -15.693 -1.651 1.00 0.00 C ATOM 0 H PHE A 82 -15.412 -14.595 -2.677 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.848 -13.836 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.356 -14.071 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.453 -15.557 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.604 -16.832 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.866 -13.264 -3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.014 -17.440 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.276 -13.869 -2.041 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.849 -15.959 -0.807 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.747 -11.514 -5.295 1.00 0.00 N ATOM 1122 CA ARG A 83 -16.052 -10.093 -5.136 1.00 0.00 C ATOM 1123 C ARG A 83 -15.668 -9.329 -6.406 1.00 0.00 C ATOM 1124 O ARG A 83 -15.688 -9.891 -7.498 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.299 -9.516 -3.942 1.00 0.00 C ATOM 1126 CG ARG A 83 -16.147 -8.683 -2.996 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.898 -9.557 -2.001 1.00 0.00 C ATOM 1128 NE ARG A 83 -18.218 -9.964 -2.484 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.229 -10.321 -1.689 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.102 -10.279 -0.368 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.380 -10.712 -2.217 1.00 0.00 N ATOM 0 H ARG A 83 -15.430 -11.765 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.123 -9.987 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.853 -10.337 -3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.479 -8.900 -4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.510 -7.982 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.859 -8.090 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.305 -10.446 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.011 -9.015 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.375 -9.976 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.224 -9.971 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.882 -10.554 0.228 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.493 -10.740 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.153 -10.985 -1.610 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.286 -8.064 -6.251 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.926 -7.212 -7.385 1.00 0.00 C ATOM 1144 C GLU A 84 -13.498 -6.690 -7.245 1.00 0.00 C ATOM 1145 O GLU A 84 -12.837 -6.945 -6.245 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.884 -6.021 -7.442 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.349 -6.400 -7.581 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.680 -6.974 -8.945 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.496 -8.190 -9.151 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.123 -6.208 -9.823 1.00 0.00 O ATOM 0 H GLU A 84 -15.217 -7.602 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.995 -7.804 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.759 -5.426 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.604 -5.385 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.605 -7.130 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.966 -5.519 -7.403 1.00 0.00 H new ATOM 1155 N ARG A 85 -13.025 -5.966 -8.255 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.688 -5.382 -8.210 1.00 0.00 C ATOM 1157 C ARG A 85 -11.805 -3.921 -7.789 1.00 0.00 C ATOM 1158 O ARG A 85 -12.863 -3.311 -7.973 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.981 -5.478 -9.566 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.498 -5.150 -9.486 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.871 -4.986 -10.857 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.434 -4.724 -10.763 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.858 -3.563 -11.068 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.593 -2.518 -11.435 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.538 -3.446 -10.985 1.00 0.00 N ATOM 0 H ARG A 85 -13.544 -5.770 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.090 -5.940 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.104 -6.485 -9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.461 -4.797 -10.269 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.361 -4.232 -8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.981 -5.943 -8.945 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.040 -5.888 -11.445 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.358 -4.166 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.833 -5.483 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.608 -2.601 -11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.142 -1.633 -11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.973 -4.242 -10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.089 -2.560 -11.217 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.733 -3.354 -7.240 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.767 -1.965 -6.782 1.00 0.00 C ATOM 1178 C GLN A 86 -9.357 -1.431 -6.499 1.00 0.00 C ATOM 1179 O GLN A 86 -8.377 -2.171 -6.560 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.638 -1.896 -5.518 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.969 -0.491 -5.037 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.893 -0.495 -3.833 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.787 -1.472 -3.763 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.812 0.378 -2.971 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.840 -3.827 -7.102 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.191 -1.337 -7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.571 -2.427 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.128 -2.427 -4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.046 0.030 -4.782 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.436 0.067 -5.848 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.112 1.115 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.444 0.365 -2.171 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.262 -0.137 -6.214 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.987 0.481 -5.905 1.00 0.00 C ATOM 1193 C GLY A 87 -8.091 1.410 -4.711 1.00 0.00 C ATOM 1194 O GLY A 87 -9.112 2.075 -4.526 1.00 0.00 O ATOM 0 H GLY A 87 -10.057 0.502 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.247 -0.293 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.633 1.040 -6.772 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.043 1.460 -3.899 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.030 2.306 -2.713 1.00 0.00 C ATOM 1200 C ILE A 88 -5.869 3.298 -2.767 1.00 0.00 C ATOM 1201 O ILE A 88 -4.741 2.940 -3.114 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.961 1.465 -1.413 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.865 2.373 -0.183 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.790 0.490 -1.456 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.952 1.630 1.132 1.00 0.00 C ATOM 0 H ILE A 88 -6.188 0.922 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.966 2.864 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.881 0.885 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.923 2.920 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.665 3.113 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.764 -0.088 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.910 -0.185 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.858 1.045 -1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.876 2.339 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.906 1.105 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.137 0.910 1.197 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.159 4.548 -2.442 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.151 5.602 -2.462 1.00 0.00 C ATOM 1218 C ASP A 89 -4.254 5.526 -1.235 1.00 0.00 C ATOM 1219 O ASP A 89 -4.733 5.336 -0.115 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.811 6.982 -2.525 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.309 7.345 -3.909 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.533 7.941 -4.682 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.485 7.055 -4.224 1.00 0.00 O ATOM 0 H ASP A 89 -7.088 4.861 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.541 5.455 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.647 7.009 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.095 7.735 -2.195 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.954 5.691 -1.447 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.986 5.641 -0.362 1.00 0.00 C ATOM 1229 C LEU A 90 -1.428 7.021 -0.059 1.00 0.00 C ATOM 1230 O LEU A 90 -0.219 7.250 -0.083 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.845 4.710 -0.713 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.259 3.302 -1.098 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.027 2.503 -1.424 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.054 2.646 0.021 1.00 0.00 C ATOM 0 H LEU A 90 -2.546 5.861 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.504 5.269 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.282 5.145 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.168 4.653 0.139 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.905 3.341 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.314 1.489 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.501 2.971 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.626 2.469 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.340 1.638 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.442 2.598 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.951 3.232 0.222 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.321 7.931 0.233 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.949 9.302 0.559 1.00 0.00 C ATOM 1247 C ASN A 91 -1.753 9.436 2.059 1.00 0.00 C ATOM 1248 O ASN A 91 -1.490 10.517 2.580 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.010 10.281 0.052 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.864 10.576 -1.432 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.425 9.713 -2.268 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.231 11.558 -1.823 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.325 7.753 0.254 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.009 9.546 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.001 9.869 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.939 11.212 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.814 12.198 -1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.124 11.731 -2.823 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.886 8.309 2.744 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.716 8.253 4.188 1.00 0.00 C ATOM 1260 C ARG A 92 -0.307 7.800 4.551 1.00 0.00 C ATOM 1261 O ARG A 92 0.073 7.789 5.718 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.732 7.294 4.801 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.169 7.746 4.656 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.070 6.972 5.596 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.815 7.310 6.996 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.687 7.103 7.982 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.895 6.618 7.717 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.350 7.392 9.232 1.00 0.00 N ATOM 0 H ARG A 92 -2.114 7.412 2.316 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.876 9.255 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.621 6.315 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.506 7.169 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.243 8.812 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.499 7.602 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.112 7.182 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.918 5.903 5.447 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.916 7.729 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.158 6.402 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.559 6.461 8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.426 7.772 9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.015 7.235 9.989 1.00 0.00 H new ATOM 1279 N ILE A 93 0.462 7.409 3.548 1.00 0.00 N ATOM 1280 CA ILE A 93 1.822 6.946 3.775 1.00 0.00 C ATOM 1281 C ILE A 93 2.803 8.024 3.329 1.00 0.00 C ATOM 1282 O ILE A 93 3.053 8.203 2.134 1.00 0.00 O ATOM 1283 CB ILE A 93 2.093 5.613 3.032 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.913 4.654 3.217 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.370 4.953 3.541 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.586 4.369 4.671 1.00 0.00 C ATOM 0 H ILE A 93 0.169 7.403 2.571 1.00 0.00 H new ATOM 0 HA ILE A 93 1.956 6.756 4.840 1.00 0.00 H new ATOM 0 HB ILE A 93 2.215 5.839 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.033 5.075 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.136 3.714 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.537 4.020 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.215 5.622 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.272 4.745 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.259 3.683 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.451 3.918 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.331 5.301 5.176 1.00 0.00 H new ATOM 1297 N GLN A 94 3.335 8.752 4.298 1.00 0.00 N ATOM 1298 CA GLN A 94 4.258 9.845 4.030 1.00 0.00 C ATOM 1299 C GLN A 94 5.651 9.530 4.569 1.00 0.00 C ATOM 1300 O GLN A 94 5.799 8.878 5.603 1.00 0.00 O ATOM 1301 CB GLN A 94 3.725 11.126 4.683 1.00 0.00 C ATOM 1302 CG GLN A 94 4.502 12.390 4.339 1.00 0.00 C ATOM 1303 CD GLN A 94 4.259 12.868 2.920 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.312 13.605 2.661 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.137 12.496 2.001 1.00 0.00 N ATOM 0 H GLN A 94 3.141 8.603 5.288 1.00 0.00 H new ATOM 0 HA GLN A 94 4.335 9.982 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.685 11.263 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.732 10.995 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.224 13.181 5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.567 12.204 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.911 11.882 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.039 12.823 1.040 1.00 0.00 H new ATOM 1312 N ASN A 95 6.665 9.987 3.853 1.00 0.00 N ATOM 1313 CA ASN A 95 8.048 9.786 4.256 1.00 0.00 C ATOM 1314 C ASN A 95 8.555 11.005 5.023 1.00 0.00 C ATOM 1315 O ASN A 95 8.644 12.108 4.483 1.00 0.00 O ATOM 1316 CB ASN A 95 8.947 9.515 3.039 1.00 0.00 C ATOM 1317 CG ASN A 95 8.900 10.622 1.995 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.862 11.248 1.770 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.026 10.874 1.350 1.00 0.00 N ATOM 0 H ASN A 95 6.555 10.505 2.981 1.00 0.00 H new ATOM 0 HA ASN A 95 8.087 8.913 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.975 9.388 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.645 8.576 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.054 11.606 0.641 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.866 10.336 1.562 1.00 0.00 H new ATOM 1325 N VAL A 96 8.875 10.805 6.286 1.00 0.00 N ATOM 1326 CA VAL A 96 9.372 11.879 7.128 1.00 0.00 C ATOM 1327 C VAL A 96 10.867 11.708 7.364 1.00 0.00 C ATOM 1328 O VAL A 96 11.290 10.767 8.042 1.00 0.00 O ATOM 1329 CB VAL A 96 8.644 11.927 8.484 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.154 13.087 9.323 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.139 12.026 8.281 1.00 0.00 C ATOM 0 H VAL A 96 8.800 9.903 6.756 1.00 0.00 H new ATOM 0 HA VAL A 96 9.182 12.817 6.607 1.00 0.00 H new ATOM 0 HB VAL A 96 8.854 11.002 9.020 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.628 13.105 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.223 12.966 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.978 14.024 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.642 12.059 9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.906 12.933 7.723 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.789 11.157 7.723 1.00 0.00 H new ATOM 1341 N ASN A 97 11.657 12.609 6.782 1.00 0.00 N ATOM 1342 CA ASN A 97 13.119 12.577 6.904 1.00 0.00 C ATOM 1343 C ASN A 97 13.681 11.260 6.386 1.00 0.00 C ATOM 1344 O ASN A 97 14.720 10.792 6.845 1.00 0.00 O ATOM 1345 CB ASN A 97 13.577 12.807 8.351 1.00 0.00 C ATOM 1346 CG ASN A 97 13.593 14.271 8.740 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.495 14.746 9.301 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.592 14.964 8.550 1.00 0.00 N flip ATOM 0 H ASN A 97 11.306 13.380 6.214 1.00 0.00 H new ATOM 0 HA ASN A 97 13.506 13.393 6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.916 12.264 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.576 12.391 8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.419 14.557 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.593 15.945 8.829 1.00 0.00 H new ATOM 1354 N GLY A 98 12.982 10.658 5.434 1.00 0.00 N ATOM 1355 CA GLY A 98 13.437 9.409 4.868 1.00 0.00 C ATOM 1356 C GLY A 98 12.723 8.201 5.439 1.00 0.00 C ATOM 1357 O GLY A 98 12.656 7.163 4.791 1.00 0.00 O ATOM 0 H GLY A 98 12.109 11.014 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.291 9.432 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.508 9.307 5.043 1.00 0.00 H new ATOM 1361 N ARG A 99 12.175 8.331 6.642 1.00 0.00 N ATOM 1362 CA ARG A 99 11.478 7.218 7.280 1.00 0.00 C ATOM 1363 C ARG A 99 10.020 7.194 6.847 1.00 0.00 C ATOM 1364 O ARG A 99 9.374 8.234 6.767 1.00 0.00 O ATOM 1365 CB ARG A 99 11.550 7.310 8.810 1.00 0.00 C ATOM 1366 CG ARG A 99 12.963 7.294 9.376 1.00 0.00 C ATOM 1367 CD ARG A 99 13.597 8.672 9.332 1.00 0.00 C ATOM 1368 NE ARG A 99 14.961 8.665 9.847 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.438 9.562 10.707 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.658 10.538 11.166 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.697 9.480 11.113 1.00 0.00 N ATOM 0 H ARG A 99 12.199 9.189 7.193 1.00 0.00 H new ATOM 0 HA ARG A 99 11.973 6.299 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.054 8.226 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.991 6.478 9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.939 6.936 10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.575 6.593 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.600 9.037 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.993 9.367 9.915 1.00 0.00 H new ATOM 0 HE ARG A 99 15.589 7.927 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.687 10.602 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.031 11.222 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.297 8.731 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.066 10.166 11.772 1.00 0.00 H new ATOM 1382 N LEU A 100 9.505 6.007 6.574 1.00 0.00 N ATOM 1383 CA LEU A 100 8.122 5.864 6.146 1.00 0.00 C ATOM 1384 C LEU A 100 7.207 5.770 7.361 1.00 0.00 C ATOM 1385 O LEU A 100 7.394 4.911 8.223 1.00 0.00 O ATOM 1386 CB LEU A 100 7.972 4.624 5.263 1.00 0.00 C ATOM 1387 CG LEU A 100 7.091 4.817 4.030 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.647 5.928 3.163 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.992 3.524 3.233 1.00 0.00 C ATOM 0 H LEU A 100 10.021 5.130 6.641 1.00 0.00 H new ATOM 0 HA LEU A 100 7.837 6.740 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.962 4.305 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.558 3.815 5.865 1.00 0.00 H new ATOM 0 HG LEU A 100 6.089 5.093 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.012 6.058 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.673 6.856 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.657 5.670 2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.360 3.683 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.987 3.218 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.557 2.744 3.858 1.00 0.00 H new ATOM 1400 N VAL A 101 6.230 6.664 7.435 1.00 0.00 N ATOM 1401 CA VAL A 101 5.303 6.689 8.560 1.00 0.00 C ATOM 1402 C VAL A 101 3.855 6.686 8.074 1.00 0.00 C ATOM 1403 O VAL A 101 3.536 7.286 7.047 1.00 0.00 O ATOM 1404 CB VAL A 101 5.522 7.948 9.438 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.745 7.844 10.742 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.002 8.179 9.713 1.00 0.00 C ATOM 0 H VAL A 101 6.058 7.381 6.730 1.00 0.00 H new ATOM 0 HA VAL A 101 5.496 5.794 9.151 1.00 0.00 H new ATOM 0 HB VAL A 101 5.145 8.807 8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.916 8.739 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.681 7.750 10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.081 6.968 11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.123 9.069 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.414 7.316 10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.530 8.318 8.770 1.00 0.00 H new ATOM 1416 N PHE A 102 2.988 6.002 8.807 1.00 0.00 N ATOM 1417 CA PHE A 102 1.577 5.958 8.468 1.00 0.00 C ATOM 1418 C PHE A 102 0.836 7.059 9.207 1.00 0.00 C ATOM 1419 O PHE A 102 0.951 7.198 10.428 1.00 0.00 O ATOM 1420 CB PHE A 102 0.954 4.598 8.805 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.538 4.663 8.998 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.390 4.942 7.937 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.086 4.470 10.256 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.754 5.018 8.132 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.448 4.550 10.455 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.283 4.823 9.391 1.00 0.00 C ATOM 0 H PHE A 102 3.239 5.470 9.640 1.00 0.00 H new ATOM 0 HA PHE A 102 1.488 6.109 7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.180 3.893 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.415 4.209 9.713 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.981 5.101 6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.437 4.254 11.092 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.407 5.230 7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.860 4.399 11.442 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.350 4.884 9.544 1.00 0.00 H new ATOM 1435 N GLN A 103 0.083 7.834 8.462 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.686 8.921 9.026 1.00 0.00 C ATOM 1437 C GLN A 103 -2.170 8.734 8.740 1.00 0.00 C ATOM 1438 O GLN A 103 -2.911 8.372 9.679 1.00 0.00 O ATOM 1439 CB GLN A 103 -0.187 10.252 8.476 1.00 0.00 C ATOM 1440 CG GLN A 103 0.606 11.060 9.490 1.00 0.00 C ATOM 1441 CD GLN A 103 1.164 12.346 8.914 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.583 12.941 8.004 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.296 12.786 9.439 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.588 8.921 7.580 1.00 0.00 O ATOM 0 H GLN A 103 -0.014 7.730 7.452 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.553 8.922 10.108 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.437 10.065 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -1.040 10.841 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.035 11.296 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.427 10.452 9.870 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.746 12.264 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.719 13.647 9.092 1.00 0.00 H new TER 1451 GLN A 103