USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 685 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 64 SER OG : rot 77:sc= 1 USER MOD Set 1.2: A 67 SER OG : rot -25:sc= 0.946 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.02 K(o=1.9,f=-1.2) USER MOD Set 2.2: A 36 ASN : amide:sc= 0.877 K(o=1.9,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 3 GLN : amide:sc= 1.75 K(o=1.8,f=-7.4!) USER MOD Single : A 4 TYR OH : rot -32:sc= 1.01 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -2.01 F(o=-2.7!,f=-2) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.734) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 55 SER OG : rot 77:sc= 1.16 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.857 K(o=0.86,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.477 K(o=0.48,f=-1.9!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 87 SER OG : rot 180:sc= 0.161 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.934 -0.383 -2.412 1.00 0.00 N ATOM 2 CA MET A 1 0.533 -0.196 -2.294 1.00 0.00 C ATOM 3 C MET A 1 1.237 -1.540 -2.473 1.00 0.00 C ATOM 4 O MET A 1 0.760 -2.561 -1.970 1.00 0.00 O ATOM 5 CB MET A 1 0.943 0.431 -0.945 1.00 0.00 C ATOM 6 CG MET A 1 0.488 1.887 -0.777 1.00 0.00 C ATOM 7 SD MET A 1 1.144 3.030 -2.024 1.00 0.00 S ATOM 8 CE MET A 1 0.383 4.577 -1.463 1.00 0.00 C ATOM 0 H1 MET A 1 -1.412 0.533 -2.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.160 -0.769 -3.351 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.260 -1.044 -1.678 1.00 0.00 H new ATOM 0 HA MET A 1 0.837 0.498 -3.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.525 -0.167 -0.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.028 0.385 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.601 1.920 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.788 2.236 0.211 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.683 5.391 -2.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.702 4.476 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.710 4.795 -0.446 1.00 0.00 H new ATOM 20 N LEU A 2 2.377 -1.553 -3.167 1.00 0.00 N ATOM 21 CA LEU A 2 3.224 -2.728 -3.371 1.00 0.00 C ATOM 22 C LEU A 2 4.684 -2.277 -3.458 1.00 0.00 C ATOM 23 O LEU A 2 4.988 -1.085 -3.350 1.00 0.00 O ATOM 24 CB LEU A 2 2.781 -3.495 -4.641 1.00 0.00 C ATOM 25 CG LEU A 2 2.128 -4.856 -4.325 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.420 -5.408 -5.569 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.167 -5.873 -3.829 1.00 0.00 C ATOM 0 H LEU A 2 2.748 -0.716 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 2 3.123 -3.415 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.076 -2.881 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.647 -3.654 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 2 1.397 -4.696 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.964 -6.369 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.648 -4.708 -5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.145 -5.539 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.674 -6.822 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.925 -6.023 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.640 -5.497 -2.922 1.00 0.00 H new ATOM 39 N GLN A 3 5.580 -3.242 -3.654 1.00 0.00 N ATOM 40 CA GLN A 3 7.017 -3.076 -3.764 1.00 0.00 C ATOM 41 C GLN A 3 7.499 -4.157 -4.742 1.00 0.00 C ATOM 42 O GLN A 3 6.887 -5.225 -4.834 1.00 0.00 O ATOM 43 CB GLN A 3 7.595 -3.235 -2.345 1.00 0.00 C ATOM 44 CG GLN A 3 9.126 -3.321 -2.169 1.00 0.00 C ATOM 45 CD GLN A 3 9.492 -3.964 -0.822 1.00 0.00 C ATOM 46 OE1 GLN A 3 8.768 -4.802 -0.293 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.609 -3.629 -0.208 1.00 0.00 N ATOM 0 H GLN A 3 5.299 -4.218 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 3 7.335 -2.105 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.241 -2.394 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.162 -4.137 -1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.557 -3.904 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.559 -2.322 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.231 -2.935 -0.623 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.852 -4.063 0.682 1.00 0.00 H new ATOM 56 N TYR A 4 8.584 -3.904 -5.475 1.00 0.00 N ATOM 57 CA TYR A 4 9.233 -4.906 -6.314 1.00 0.00 C ATOM 58 C TYR A 4 10.738 -4.671 -6.386 1.00 0.00 C ATOM 59 O TYR A 4 11.227 -3.590 -6.044 1.00 0.00 O ATOM 60 CB TYR A 4 8.584 -4.982 -7.713 1.00 0.00 C ATOM 61 CG TYR A 4 8.521 -3.741 -8.600 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.654 -2.941 -8.865 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.326 -3.489 -9.304 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.607 -1.927 -9.836 1.00 0.00 C ATOM 65 CE2 TYR A 4 7.278 -2.491 -10.291 1.00 0.00 C ATOM 66 CZ TYR A 4 8.423 -1.722 -10.580 1.00 0.00 C ATOM 67 OH TYR A 4 8.401 -0.849 -11.621 1.00 0.00 O ATOM 0 H TYR A 4 9.038 -2.991 -5.502 1.00 0.00 H new ATOM 0 HA TYR A 4 9.083 -5.880 -5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.113 -5.753 -8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.561 -5.333 -7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.568 -3.111 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.441 -4.067 -9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.473 -1.306 -10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.360 -2.312 -10.831 1.00 0.00 H new ATOM 0 HH TYR A 4 9.021 -0.112 -11.443 1.00 0.00 H new ATOM 77 N ARG A 5 11.456 -5.659 -6.920 1.00 0.00 N ATOM 78 CA ARG A 5 12.825 -5.543 -7.404 1.00 0.00 C ATOM 79 C ARG A 5 12.825 -6.118 -8.817 1.00 0.00 C ATOM 80 O ARG A 5 12.120 -7.093 -9.087 1.00 0.00 O ATOM 81 CB ARG A 5 13.774 -6.281 -6.444 1.00 0.00 C ATOM 82 CG ARG A 5 15.251 -5.882 -6.611 1.00 0.00 C ATOM 83 CD ARG A 5 16.069 -6.495 -5.466 1.00 0.00 C ATOM 84 NE ARG A 5 17.414 -5.909 -5.363 1.00 0.00 N ATOM 85 CZ ARG A 5 18.405 -6.344 -4.577 1.00 0.00 C ATOM 86 NH1 ARG A 5 18.249 -7.407 -3.791 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.558 -5.692 -4.604 1.00 0.00 N ATOM 0 H ARG A 5 11.080 -6.601 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 5 13.180 -4.513 -7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.466 -6.082 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.676 -7.355 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.629 -6.231 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.350 -4.797 -6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.539 -6.349 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.155 -7.571 -5.620 1.00 0.00 H new ATOM 0 HE ARG A 5 17.609 -5.095 -5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.360 -7.907 -3.780 1.00 0.00 H new ATOM 0 HH12 ARG A 5 19.018 -7.721 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.672 -4.882 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.332 -6.000 -4.016 1.00 0.00 H new ATOM 101 N ILE A 6 13.559 -5.490 -9.727 1.00 0.00 N ATOM 102 CA ILE A 6 13.582 -5.804 -11.149 1.00 0.00 C ATOM 103 C ILE A 6 15.049 -5.834 -11.555 1.00 0.00 C ATOM 104 O ILE A 6 15.841 -5.035 -11.056 1.00 0.00 O ATOM 105 CB ILE A 6 12.756 -4.758 -11.946 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.282 -4.824 -11.503 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.880 -4.920 -13.473 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.285 -3.987 -12.311 1.00 0.00 C ATOM 0 H ILE A 6 14.179 -4.717 -9.484 1.00 0.00 H new ATOM 0 HA ILE A 6 13.121 -6.767 -11.367 1.00 0.00 H new ATOM 0 HB ILE A 6 13.168 -3.775 -11.718 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.961 -5.865 -11.540 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.225 -4.510 -10.461 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.279 -4.158 -13.970 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.923 -4.808 -13.767 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.526 -5.909 -13.764 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.284 -4.118 -11.901 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.564 -2.935 -12.256 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.297 -4.311 -13.352 1.00 0.00 H new ATOM 120 N ILE A 7 15.399 -6.717 -12.485 1.00 0.00 N ATOM 121 CA ILE A 7 16.733 -6.842 -13.053 1.00 0.00 C ATOM 122 C ILE A 7 16.531 -6.751 -14.567 1.00 0.00 C ATOM 123 O ILE A 7 15.551 -7.289 -15.088 1.00 0.00 O ATOM 124 CB ILE A 7 17.392 -8.171 -12.607 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.309 -8.459 -11.086 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.853 -8.235 -13.079 1.00 0.00 C ATOM 127 CD1 ILE A 7 18.075 -7.480 -10.188 1.00 0.00 C ATOM 0 H ILE A 7 14.737 -7.387 -12.876 1.00 0.00 H new ATOM 0 HA ILE A 7 17.415 -6.063 -12.713 1.00 0.00 H new ATOM 0 HB ILE A 7 16.806 -8.955 -13.087 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.260 -8.453 -10.789 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.687 -9.465 -10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.299 -9.176 -12.756 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.887 -8.172 -14.167 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.411 -7.403 -12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.952 -7.771 -9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.133 -7.500 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.685 -6.472 -10.332 1.00 0.00 H new ATOM 139 N VAL A 8 17.423 -6.060 -15.271 1.00 0.00 N ATOM 140 CA VAL A 8 17.270 -5.713 -16.680 1.00 0.00 C ATOM 141 C VAL A 8 18.612 -5.971 -17.367 1.00 0.00 C ATOM 142 O VAL A 8 19.673 -5.771 -16.766 1.00 0.00 O ATOM 143 CB VAL A 8 16.820 -4.235 -16.821 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.299 -3.947 -18.235 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.701 -3.824 -15.847 1.00 0.00 C ATOM 0 H VAL A 8 18.294 -5.717 -14.867 1.00 0.00 H new ATOM 0 HA VAL A 8 16.499 -6.321 -17.154 1.00 0.00 H new ATOM 0 HB VAL A 8 17.717 -3.660 -16.592 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.991 -2.904 -18.304 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.089 -4.141 -18.960 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.446 -4.592 -18.447 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.444 -2.777 -16.009 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.822 -4.445 -16.020 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.044 -3.958 -14.821 1.00 0.00 H new ATOM 155 N ASP A 9 18.570 -6.402 -18.625 1.00 0.00 N ATOM 156 CA ASP A 9 19.730 -6.742 -19.440 1.00 0.00 C ATOM 157 C ASP A 9 19.490 -6.278 -20.875 1.00 0.00 C ATOM 158 O ASP A 9 18.341 -6.209 -21.320 1.00 0.00 O ATOM 159 CB ASP A 9 19.930 -8.261 -19.421 1.00 0.00 C ATOM 160 CG ASP A 9 21.144 -8.683 -20.260 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.220 -8.066 -20.101 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.038 -9.657 -21.038 1.00 0.00 O ATOM 0 H ASP A 9 17.689 -6.529 -19.124 1.00 0.00 H new ATOM 0 HA ASP A 9 20.618 -6.251 -19.042 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.063 -8.598 -18.393 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.035 -8.751 -19.804 1.00 0.00 H new ATOM 167 N GLY A 10 20.564 -5.950 -21.591 1.00 0.00 N ATOM 168 CA GLY A 10 20.525 -5.443 -22.954 1.00 0.00 C ATOM 169 C GLY A 10 21.547 -4.327 -23.127 1.00 0.00 C ATOM 170 O GLY A 10 22.488 -4.213 -22.337 1.00 0.00 O ATOM 0 H GLY A 10 21.512 -6.034 -21.224 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.734 -6.250 -23.656 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.526 -5.071 -23.183 1.00 0.00 H new ATOM 174 N ARG A 11 21.360 -3.476 -24.140 1.00 0.00 N ATOM 175 CA ARG A 11 22.048 -2.189 -24.189 1.00 0.00 C ATOM 176 C ARG A 11 21.291 -1.276 -23.232 1.00 0.00 C ATOM 177 O ARG A 11 20.349 -0.598 -23.643 1.00 0.00 O ATOM 178 CB ARG A 11 22.121 -1.641 -25.627 1.00 0.00 C ATOM 179 CG ARG A 11 22.835 -0.281 -25.745 1.00 0.00 C ATOM 180 CD ARG A 11 24.314 -0.310 -25.326 1.00 0.00 C ATOM 181 NE ARG A 11 24.902 1.041 -25.354 1.00 0.00 N ATOM 182 CZ ARG A 11 25.398 1.675 -26.427 1.00 0.00 C ATOM 183 NH1 ARG A 11 25.529 1.037 -27.588 1.00 0.00 N ATOM 184 NH2 ARG A 11 25.755 2.953 -26.343 1.00 0.00 N ATOM 0 H ARG A 11 20.742 -3.656 -24.931 1.00 0.00 H new ATOM 0 HA ARG A 11 23.090 -2.272 -23.881 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.638 -2.367 -26.255 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.109 -1.543 -26.019 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.767 0.064 -26.777 1.00 0.00 H new ATOM 0 HG3 ARG A 11 22.308 0.448 -25.130 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.402 -0.727 -24.323 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.871 -0.966 -25.995 1.00 0.00 H new ATOM 0 HE ARG A 11 24.935 1.545 -24.468 1.00 0.00 H new ATOM 0 HH11 ARG A 11 25.251 0.059 -27.666 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.907 1.526 -28.399 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.652 3.454 -25.461 1.00 0.00 H new ATOM 0 HH22 ARG A 11 26.132 3.432 -27.161 1.00 0.00 H new ATOM 198 N VAL A 12 21.676 -1.304 -21.959 1.00 0.00 N ATOM 199 CA VAL A 12 21.036 -0.555 -20.880 1.00 0.00 C ATOM 200 C VAL A 12 22.087 0.239 -20.080 1.00 0.00 C ATOM 201 O VAL A 12 21.812 0.702 -18.974 1.00 0.00 O ATOM 202 CB VAL A 12 20.143 -1.500 -20.036 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.934 -1.990 -20.851 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.879 -2.726 -19.476 1.00 0.00 C ATOM 0 H VAL A 12 22.466 -1.865 -21.640 1.00 0.00 H new ATOM 0 HA VAL A 12 20.360 0.199 -21.284 1.00 0.00 H new ATOM 0 HB VAL A 12 19.821 -0.894 -19.189 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.324 -2.651 -20.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.337 -1.134 -21.166 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.283 -2.532 -21.730 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.184 -3.335 -18.898 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.281 -3.316 -20.299 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.695 -2.398 -18.832 1.00 0.00 H new ATOM 214 N GLN A 13 23.282 0.440 -20.651 1.00 0.00 N ATOM 215 CA GLN A 13 24.327 1.335 -20.165 1.00 0.00 C ATOM 216 C GLN A 13 24.912 2.059 -21.381 1.00 0.00 C ATOM 217 O GLN A 13 24.775 1.592 -22.518 1.00 0.00 O ATOM 218 CB GLN A 13 25.442 0.579 -19.416 1.00 0.00 C ATOM 219 CG GLN A 13 24.989 -0.200 -18.169 1.00 0.00 C ATOM 220 CD GLN A 13 24.670 -1.678 -18.426 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.399 -2.117 -19.542 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.728 -2.492 -17.389 1.00 0.00 N ATOM 0 H GLN A 13 23.554 -0.044 -21.507 1.00 0.00 H new ATOM 0 HA GLN A 13 23.894 2.037 -19.452 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.913 -0.119 -20.108 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.207 1.296 -19.118 1.00 0.00 H new ATOM 0 HG2 GLN A 13 25.771 -0.136 -17.412 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.104 0.283 -17.755 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.953 -2.125 -16.464 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.548 -3.488 -17.512 1.00 0.00 H new ATOM 231 N GLY A 14 25.541 3.216 -21.161 1.00 0.00 N ATOM 232 CA GLY A 14 26.020 4.071 -22.245 1.00 0.00 C ATOM 233 C GLY A 14 24.871 4.606 -23.107 1.00 0.00 C ATOM 234 O GLY A 14 25.072 4.837 -24.300 1.00 0.00 O ATOM 0 H GLY A 14 25.731 3.584 -20.229 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.579 4.908 -21.826 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.711 3.508 -22.872 1.00 0.00 H new ATOM 238 N VAL A 15 23.672 4.746 -22.529 1.00 0.00 N ATOM 239 CA VAL A 15 22.452 5.246 -23.178 1.00 0.00 C ATOM 240 C VAL A 15 21.626 6.122 -22.210 1.00 0.00 C ATOM 241 O VAL A 15 20.512 6.529 -22.539 1.00 0.00 O ATOM 242 CB VAL A 15 21.623 4.072 -23.769 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.253 3.521 -25.052 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.429 2.904 -22.784 1.00 0.00 C ATOM 0 H VAL A 15 23.518 4.503 -21.551 1.00 0.00 H new ATOM 0 HA VAL A 15 22.740 5.887 -24.011 1.00 0.00 H new ATOM 0 HB VAL A 15 20.646 4.504 -23.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.644 2.702 -25.434 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.307 4.312 -25.800 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.257 3.156 -24.837 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.842 2.119 -23.261 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.402 2.505 -22.496 1.00 0.00 H new ATOM 0 HG23 VAL A 15 20.906 3.260 -21.896 1.00 0.00 H new ATOM 254 N GLY A 16 22.157 6.422 -21.012 1.00 0.00 N ATOM 255 CA GLY A 16 21.492 7.253 -20.010 1.00 0.00 C ATOM 256 C GLY A 16 20.317 6.561 -19.312 1.00 0.00 C ATOM 257 O GLY A 16 19.510 7.238 -18.675 1.00 0.00 O ATOM 0 H GLY A 16 23.073 6.086 -20.715 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.222 7.554 -19.259 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.133 8.164 -20.488 1.00 0.00 H new ATOM 261 N PHE A 17 20.200 5.230 -19.411 1.00 0.00 N ATOM 262 CA PHE A 17 19.001 4.514 -18.976 1.00 0.00 C ATOM 263 C PHE A 17 18.690 4.721 -17.496 1.00 0.00 C ATOM 264 O PHE A 17 17.526 4.879 -17.141 1.00 0.00 O ATOM 265 CB PHE A 17 19.115 3.020 -19.308 1.00 0.00 C ATOM 266 CG PHE A 17 17.919 2.180 -18.891 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.616 2.578 -19.245 1.00 0.00 C ATOM 268 CD2 PHE A 17 18.102 1.004 -18.139 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.508 1.810 -18.859 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.996 0.210 -17.786 1.00 0.00 C ATOM 271 CZ PHE A 17 15.697 0.607 -18.154 1.00 0.00 C ATOM 0 H PHE A 17 20.929 4.627 -19.792 1.00 0.00 H new ATOM 0 HA PHE A 17 18.163 4.937 -19.530 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.260 2.911 -20.383 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.007 2.622 -18.824 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.469 3.481 -19.818 1.00 0.00 H new ATOM 0 HD2 PHE A 17 19.095 0.711 -17.832 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.510 2.142 -19.103 1.00 0.00 H new ATOM 0 HE2 PHE A 17 17.144 -0.705 -17.232 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.848 -0.009 -17.896 1.00 0.00 H new ATOM 281 N ARG A 18 19.692 4.783 -16.613 1.00 0.00 N ATOM 282 CA ARG A 18 19.407 4.978 -15.188 1.00 0.00 C ATOM 283 C ARG A 18 18.743 6.335 -14.940 1.00 0.00 C ATOM 284 O ARG A 18 17.887 6.428 -14.063 1.00 0.00 O ATOM 285 CB ARG A 18 20.665 4.779 -14.328 1.00 0.00 C ATOM 286 CG ARG A 18 21.242 3.362 -14.493 1.00 0.00 C ATOM 287 CD ARG A 18 22.426 3.087 -13.556 1.00 0.00 C ATOM 288 NE ARG A 18 23.572 3.981 -13.805 1.00 0.00 N ATOM 289 CZ ARG A 18 24.465 3.899 -14.802 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.377 2.953 -15.735 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.458 4.778 -14.839 1.00 0.00 N ATOM 0 H ARG A 18 20.681 4.704 -16.850 1.00 0.00 H new ATOM 0 HA ARG A 18 18.695 4.212 -14.881 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.419 5.515 -14.608 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.422 4.954 -13.280 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.457 2.631 -14.302 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.562 3.223 -15.526 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.100 3.202 -12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.746 2.052 -13.676 1.00 0.00 H new ATOM 0 HE ARG A 18 23.700 4.748 -13.145 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.619 2.272 -15.700 1.00 0.00 H new ATOM 0 HH12 ARG A 18 25.068 2.910 -16.484 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.530 5.496 -14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.149 4.735 -15.588 1.00 0.00 H new ATOM 305 N TYR A 19 19.061 7.364 -15.731 1.00 0.00 N ATOM 306 CA TYR A 19 18.368 8.645 -15.657 1.00 0.00 C ATOM 307 C TYR A 19 16.958 8.528 -16.240 1.00 0.00 C ATOM 308 O TYR A 19 16.030 9.096 -15.664 1.00 0.00 O ATOM 309 CB TYR A 19 19.167 9.743 -16.373 1.00 0.00 C ATOM 310 CG TYR A 19 20.553 9.969 -15.795 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.711 10.740 -14.627 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.681 9.391 -16.410 1.00 0.00 C ATOM 313 CE1 TYR A 19 21.989 10.931 -14.073 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.962 9.575 -15.860 1.00 0.00 C ATOM 315 CZ TYR A 19 23.121 10.347 -14.685 1.00 0.00 C ATOM 316 OH TYR A 19 24.356 10.538 -14.137 1.00 0.00 O ATOM 0 H TYR A 19 19.800 7.330 -16.433 1.00 0.00 H new ATOM 0 HA TYR A 19 18.281 8.925 -14.607 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.261 9.482 -17.427 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.607 10.677 -16.325 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.848 11.186 -14.155 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.561 8.804 -17.308 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.106 11.525 -13.179 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.823 9.128 -16.334 1.00 0.00 H new ATOM 0 HH TYR A 19 25.029 10.071 -14.675 1.00 0.00 H new ATOM 326 N PHE A 20 16.760 7.764 -17.324 1.00 0.00 N ATOM 327 CA PHE A 20 15.427 7.501 -17.868 1.00 0.00 C ATOM 328 C PHE A 20 14.538 6.895 -16.781 1.00 0.00 C ATOM 329 O PHE A 20 13.463 7.418 -16.491 1.00 0.00 O ATOM 330 CB PHE A 20 15.497 6.580 -19.101 1.00 0.00 C ATOM 331 CG PHE A 20 14.176 6.420 -19.829 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.736 7.410 -20.729 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.387 5.271 -19.616 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.517 7.252 -21.412 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.171 5.113 -20.304 1.00 0.00 C ATOM 336 CZ PHE A 20 11.735 6.102 -21.201 1.00 0.00 C ATOM 0 H PHE A 20 17.515 7.316 -17.842 1.00 0.00 H new ATOM 0 HA PHE A 20 14.992 8.445 -18.195 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.237 6.977 -19.796 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.849 5.597 -18.788 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.336 8.292 -20.895 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.717 4.511 -18.923 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.181 8.014 -22.099 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.571 4.230 -20.142 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.800 5.980 -21.728 1.00 0.00 H new ATOM 346 N VAL A 21 15.024 5.841 -16.122 1.00 0.00 N ATOM 347 CA VAL A 21 14.339 5.178 -15.023 1.00 0.00 C ATOM 348 C VAL A 21 14.097 6.168 -13.877 1.00 0.00 C ATOM 349 O VAL A 21 12.995 6.192 -13.332 1.00 0.00 O ATOM 350 CB VAL A 21 15.170 3.953 -14.589 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.587 3.248 -13.364 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.247 2.905 -15.708 1.00 0.00 C ATOM 0 H VAL A 21 15.925 5.419 -16.347 1.00 0.00 H new ATOM 0 HA VAL A 21 13.357 4.824 -15.338 1.00 0.00 H new ATOM 0 HB VAL A 21 16.157 4.350 -14.352 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.212 2.394 -13.104 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.555 3.943 -12.525 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.578 2.903 -13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.839 2.055 -15.370 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.242 2.569 -15.962 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.715 3.346 -16.588 1.00 0.00 H new ATOM 362 N GLN A 22 15.083 7.003 -13.522 1.00 0.00 N ATOM 363 CA GLN A 22 14.947 7.972 -12.440 1.00 0.00 C ATOM 364 C GLN A 22 13.748 8.888 -12.690 1.00 0.00 C ATOM 365 O GLN A 22 12.907 9.074 -11.811 1.00 0.00 O ATOM 366 CB GLN A 22 16.254 8.783 -12.291 1.00 0.00 C ATOM 367 CG GLN A 22 16.310 9.627 -11.003 1.00 0.00 C ATOM 368 CD GLN A 22 16.443 8.802 -9.724 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.830 7.540 -9.833 1.00 0.00 O flip ATOM 370 NE2 GLN A 22 16.191 9.288 -8.629 1.00 0.00 N flip ATOM 0 H GLN A 22 15.994 7.021 -13.980 1.00 0.00 H new ATOM 0 HA GLN A 22 14.768 7.441 -11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.101 8.097 -12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.364 9.442 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.153 10.315 -11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.407 10.234 -10.939 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.894 10.261 -8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.278 8.720 -7.787 1.00 0.00 H new ATOM 379 N MET A 23 13.656 9.439 -13.899 1.00 0.00 N ATOM 380 CA MET A 23 12.609 10.382 -14.253 1.00 0.00 C ATOM 381 C MET A 23 11.269 9.659 -14.394 1.00 0.00 C ATOM 382 O MET A 23 10.235 10.206 -14.019 1.00 0.00 O ATOM 383 CB MET A 23 13.006 11.122 -15.537 1.00 0.00 C ATOM 384 CG MET A 23 14.300 11.922 -15.319 1.00 0.00 C ATOM 385 SD MET A 23 14.938 12.728 -16.814 1.00 0.00 S ATOM 386 CE MET A 23 16.468 13.430 -16.138 1.00 0.00 C ATOM 0 H MET A 23 14.308 9.241 -14.658 1.00 0.00 H new ATOM 0 HA MET A 23 12.490 11.121 -13.461 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.146 10.407 -16.348 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.203 11.794 -15.840 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.120 12.682 -14.559 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.065 11.253 -14.926 1.00 0.00 H new ATOM 0 HE1 MET A 23 16.999 13.968 -16.923 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.226 14.117 -15.327 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.100 12.627 -15.757 1.00 0.00 H new ATOM 396 N GLU A 24 11.268 8.414 -14.874 1.00 0.00 N ATOM 397 CA GLU A 24 10.060 7.609 -14.991 1.00 0.00 C ATOM 398 C GLU A 24 9.520 7.159 -13.627 1.00 0.00 C ATOM 399 O GLU A 24 8.317 6.925 -13.519 1.00 0.00 O ATOM 400 CB GLU A 24 10.316 6.416 -15.927 1.00 0.00 C ATOM 401 CG GLU A 24 10.276 6.838 -17.405 1.00 0.00 C ATOM 402 CD GLU A 24 8.882 7.340 -17.808 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.892 6.600 -17.613 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.750 8.502 -18.255 1.00 0.00 O ATOM 0 H GLU A 24 12.112 7.937 -15.193 1.00 0.00 H new ATOM 0 HA GLU A 24 9.281 8.234 -15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.287 5.976 -15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.567 5.645 -15.748 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.012 7.623 -17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.556 5.993 -18.034 1.00 0.00 H new ATOM 411 N ALA A 25 10.351 7.070 -12.585 1.00 0.00 N ATOM 412 CA ALA A 25 9.875 6.882 -11.219 1.00 0.00 C ATOM 413 C ALA A 25 9.323 8.197 -10.672 1.00 0.00 C ATOM 414 O ALA A 25 8.245 8.226 -10.070 1.00 0.00 O ATOM 415 CB ALA A 25 11.027 6.414 -10.330 1.00 0.00 C ATOM 0 H ALA A 25 11.366 7.126 -12.667 1.00 0.00 H new ATOM 0 HA ALA A 25 9.085 6.131 -11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.667 6.275 -9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.418 5.470 -10.709 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.819 7.163 -10.336 1.00 0.00 H new ATOM 421 N ASP A 26 10.060 9.291 -10.887 1.00 0.00 N ATOM 422 CA ASP A 26 9.709 10.619 -10.388 1.00 0.00 C ATOM 423 C ASP A 26 8.379 11.102 -10.963 1.00 0.00 C ATOM 424 O ASP A 26 7.573 11.671 -10.230 1.00 0.00 O ATOM 425 CB ASP A 26 10.816 11.624 -10.713 1.00 0.00 C ATOM 426 CG ASP A 26 10.434 13.031 -10.224 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.509 13.289 -9.003 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.095 13.893 -11.065 1.00 0.00 O ATOM 0 H ASP A 26 10.929 9.276 -11.421 1.00 0.00 H new ATOM 0 HA ASP A 26 9.601 10.544 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.748 11.311 -10.242 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.993 11.643 -11.788 1.00 0.00 H new ATOM 433 N LYS A 27 8.082 10.800 -12.233 1.00 0.00 N ATOM 434 CA LYS A 27 6.813 11.183 -12.857 1.00 0.00 C ATOM 435 C LYS A 27 5.598 10.426 -12.303 1.00 0.00 C ATOM 436 O LYS A 27 4.468 10.746 -12.669 1.00 0.00 O ATOM 437 CB LYS A 27 6.946 11.228 -14.394 1.00 0.00 C ATOM 438 CG LYS A 27 6.873 9.900 -15.172 1.00 0.00 C ATOM 439 CD LYS A 27 5.462 9.594 -15.707 1.00 0.00 C ATOM 440 CE LYS A 27 5.437 8.532 -16.820 1.00 0.00 C ATOM 441 NZ LYS A 27 6.021 8.998 -18.102 1.00 0.00 N ATOM 0 H LYS A 27 8.710 10.287 -12.852 1.00 0.00 H new ATOM 0 HA LYS A 27 6.586 12.207 -12.562 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.162 11.881 -14.777 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.899 11.701 -14.632 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.573 9.935 -16.007 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.194 9.086 -14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.836 9.256 -14.881 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.020 10.515 -16.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.982 7.651 -16.482 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.406 8.223 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.749 8.346 -18.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.666 9.951 -18.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.058 9.024 -18.022 1.00 0.00 H new ATOM 455 N ARG A 28 5.806 9.476 -11.382 1.00 0.00 N ATOM 456 CA ARG A 28 4.762 8.825 -10.580 1.00 0.00 C ATOM 457 C ARG A 28 5.013 9.016 -9.075 1.00 0.00 C ATOM 458 O ARG A 28 4.300 8.423 -8.266 1.00 0.00 O ATOM 459 CB ARG A 28 4.722 7.332 -10.938 1.00 0.00 C ATOM 460 CG ARG A 28 4.151 7.029 -12.334 1.00 0.00 C ATOM 461 CD ARG A 28 5.053 6.012 -13.033 1.00 0.00 C ATOM 462 NE ARG A 28 4.572 5.680 -14.387 1.00 0.00 N ATOM 463 CZ ARG A 28 5.347 5.493 -15.464 1.00 0.00 C ATOM 464 NH1 ARG A 28 6.667 5.611 -15.386 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.796 5.236 -16.646 1.00 0.00 N ATOM 0 H ARG A 28 6.740 9.127 -11.167 1.00 0.00 H new ATOM 0 HA ARG A 28 3.800 9.284 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.733 6.929 -10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.124 6.808 -10.192 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.138 6.637 -12.249 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.090 7.945 -12.922 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.066 6.410 -13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.105 5.103 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 28 3.564 5.585 -14.514 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.106 5.847 -14.496 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.242 5.465 -16.216 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.781 5.181 -16.735 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.388 5.094 -17.465 1.00 0.00 H new ATOM 479 N LYS A 29 6.013 9.821 -8.688 1.00 0.00 N ATOM 480 CA LYS A 29 6.507 9.983 -7.316 1.00 0.00 C ATOM 481 C LYS A 29 6.677 8.634 -6.600 1.00 0.00 C ATOM 482 O LYS A 29 6.349 8.507 -5.418 1.00 0.00 O ATOM 483 CB LYS A 29 5.637 11.000 -6.545 1.00 0.00 C ATOM 484 CG LYS A 29 5.529 12.391 -7.200 1.00 0.00 C ATOM 485 CD LYS A 29 6.863 13.158 -7.225 1.00 0.00 C ATOM 486 CE LYS A 29 6.768 14.479 -8.005 1.00 0.00 C ATOM 487 NZ LYS A 29 5.895 15.486 -7.348 1.00 0.00 N ATOM 0 H LYS A 29 6.521 10.402 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 29 7.512 10.403 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.634 10.588 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.045 11.118 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.165 12.277 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.788 12.982 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.178 13.365 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.632 12.529 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.768 14.896 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.387 14.276 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.872 16.353 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.932 15.105 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.269 15.706 -6.403 1.00 0.00 H new ATOM 501 N LEU A 30 7.168 7.614 -7.315 1.00 0.00 N ATOM 502 CA LEU A 30 7.557 6.343 -6.701 1.00 0.00 C ATOM 503 C LEU A 30 8.796 6.567 -5.823 1.00 0.00 C ATOM 504 O LEU A 30 9.475 7.590 -5.956 1.00 0.00 O ATOM 505 CB LEU A 30 7.822 5.280 -7.785 1.00 0.00 C ATOM 506 CG LEU A 30 6.561 4.866 -8.569 1.00 0.00 C ATOM 507 CD1 LEU A 30 6.945 3.960 -9.738 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.530 4.140 -7.699 1.00 0.00 C ATOM 0 H LEU A 30 7.305 7.647 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 30 6.745 5.974 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.564 5.665 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.254 4.396 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 30 6.103 5.788 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.047 3.673 -10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.622 4.494 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.440 3.066 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.665 3.874 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.975 3.235 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.215 4.794 -6.886 1.00 0.00 H new ATOM 520 N ALA A 31 9.116 5.607 -4.951 1.00 0.00 N ATOM 521 CA ALA A 31 10.275 5.669 -4.062 1.00 0.00 C ATOM 522 C ALA A 31 11.058 4.362 -4.155 1.00 0.00 C ATOM 523 O ALA A 31 10.458 3.325 -4.435 1.00 0.00 O ATOM 524 CB ALA A 31 9.808 5.942 -2.628 1.00 0.00 C ATOM 0 H ALA A 31 8.568 4.753 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 31 10.935 6.483 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.673 5.988 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.274 6.892 -2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.144 5.141 -2.303 1.00 0.00 H new ATOM 530 N GLY A 32 12.381 4.405 -3.969 1.00 0.00 N ATOM 531 CA GLY A 32 13.261 3.267 -4.233 1.00 0.00 C ATOM 532 C GLY A 32 14.568 3.701 -4.902 1.00 0.00 C ATOM 533 O GLY A 32 15.005 4.843 -4.729 1.00 0.00 O ATOM 0 H GLY A 32 12.871 5.233 -3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.484 2.756 -3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.746 2.550 -4.873 1.00 0.00 H new ATOM 537 N TRP A 33 15.201 2.812 -5.671 1.00 0.00 N ATOM 538 CA TRP A 33 16.440 3.109 -6.377 1.00 0.00 C ATOM 539 C TRP A 33 16.493 2.489 -7.770 1.00 0.00 C ATOM 540 O TRP A 33 15.770 1.543 -8.092 1.00 0.00 O ATOM 541 CB TRP A 33 17.664 2.678 -5.544 1.00 0.00 C ATOM 542 CG TRP A 33 17.882 1.213 -5.243 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.065 0.214 -6.143 1.00 0.00 C ATOM 544 CD2 TRP A 33 18.044 0.578 -3.934 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.310 -0.978 -5.489 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.333 -0.805 -4.127 1.00 0.00 C ATOM 547 CE3 TRP A 33 18.003 1.036 -2.598 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.575 -1.686 -3.063 1.00 0.00 C ATOM 549 CZ3 TRP A 33 18.238 0.161 -1.519 1.00 0.00 C ATOM 550 CH2 TRP A 33 18.525 -1.197 -1.748 1.00 0.00 C ATOM 0 H TRP A 33 14.863 1.861 -5.819 1.00 0.00 H new ATOM 0 HA TRP A 33 16.467 4.190 -6.513 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.553 3.041 -6.059 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.611 3.203 -4.590 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.025 0.334 -7.216 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.455 -1.872 -5.958 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.788 2.076 -2.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.797 -2.726 -3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 18.197 0.536 -0.507 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.706 -1.861 -0.916 1.00 0.00 H new ATOM 561 N VAL A 34 17.457 2.958 -8.558 1.00 0.00 N ATOM 562 CA VAL A 34 17.986 2.259 -9.722 1.00 0.00 C ATOM 563 C VAL A 34 19.505 2.207 -9.555 1.00 0.00 C ATOM 564 O VAL A 34 20.097 3.158 -9.035 1.00 0.00 O ATOM 565 CB VAL A 34 17.500 2.948 -11.017 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.838 4.445 -11.093 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.036 2.257 -12.276 1.00 0.00 C ATOM 0 H VAL A 34 17.903 3.861 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 34 17.623 1.234 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 34 16.415 2.853 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.464 4.855 -12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.371 4.966 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.919 4.577 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.668 2.776 -13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.126 2.281 -12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.696 1.222 -12.295 1.00 0.00 H new ATOM 577 N LYS A 35 20.147 1.111 -9.973 1.00 0.00 N ATOM 578 CA LYS A 35 21.600 0.985 -9.933 1.00 0.00 C ATOM 579 C LYS A 35 22.109 0.100 -11.059 1.00 0.00 C ATOM 580 O LYS A 35 21.414 -0.812 -11.504 1.00 0.00 O ATOM 581 CB LYS A 35 22.070 0.479 -8.557 1.00 0.00 C ATOM 582 CG LYS A 35 21.666 -0.943 -8.140 1.00 0.00 C ATOM 583 CD LYS A 35 22.208 -1.191 -6.723 1.00 0.00 C ATOM 584 CE LYS A 35 22.161 -2.671 -6.334 1.00 0.00 C ATOM 585 NZ LYS A 35 22.829 -2.908 -5.032 1.00 0.00 N ATOM 0 H LYS A 35 19.671 0.290 -10.347 1.00 0.00 H new ATOM 0 HA LYS A 35 22.028 1.976 -10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.158 0.539 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.695 1.169 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.582 -1.053 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 35 22.072 -1.675 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.236 -0.834 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.626 -0.611 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.124 -3.002 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.645 -3.268 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.781 -3.920 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.825 -2.614 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.351 -2.356 -4.291 1.00 0.00 H new ATOM 599 N ASN A 36 23.335 0.358 -11.512 1.00 0.00 N ATOM 600 CA ASN A 36 24.061 -0.590 -12.354 1.00 0.00 C ATOM 601 C ASN A 36 24.478 -1.786 -11.489 1.00 0.00 C ATOM 602 O ASN A 36 24.685 -1.620 -10.285 1.00 0.00 O ATOM 603 CB ASN A 36 25.301 0.090 -12.956 1.00 0.00 C ATOM 604 CG ASN A 36 26.019 -0.853 -13.915 1.00 0.00 C ATOM 605 OD1 ASN A 36 25.432 -1.297 -14.895 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.266 -1.199 -13.651 1.00 0.00 N ATOM 0 H ASN A 36 23.846 1.217 -11.309 1.00 0.00 H new ATOM 0 HA ASN A 36 23.426 -0.930 -13.172 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.005 0.997 -13.483 1.00 0.00 H new ATOM 0 HB3 ASN A 36 25.980 0.392 -12.158 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.757 -1.846 -14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.738 -0.819 -12.831 1.00 0.00 H new ATOM 668 N ARG A 41 24.358 -6.342 -15.696 1.00 0.00 N ATOM 669 CA ARG A 41 22.929 -6.048 -15.629 1.00 0.00 C ATOM 670 C ARG A 41 22.691 -4.660 -15.025 1.00 0.00 C ATOM 671 O ARG A 41 23.620 -3.986 -14.578 1.00 0.00 O ATOM 672 CB ARG A 41 22.263 -7.175 -14.811 1.00 0.00 C ATOM 673 CG ARG A 41 21.775 -8.390 -15.627 1.00 0.00 C ATOM 674 CD ARG A 41 22.499 -8.748 -16.936 1.00 0.00 C ATOM 675 NE ARG A 41 23.867 -9.243 -16.746 1.00 0.00 N ATOM 676 CZ ARG A 41 24.760 -9.454 -17.718 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.508 -9.151 -18.989 1.00 0.00 N ATOM 678 NH2 ARG A 41 25.926 -9.979 -17.379 1.00 0.00 N ATOM 0 HA ARG A 41 22.485 -6.019 -16.624 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.973 -7.524 -14.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 21.413 -6.756 -14.273 1.00 0.00 H new ATOM 0 HG2 ARG A 41 21.821 -9.263 -14.976 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.724 -8.225 -15.866 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.920 -9.505 -17.464 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.528 -7.866 -17.576 1.00 0.00 H new ATOM 0 HE ARG A 41 24.162 -9.443 -15.790 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.609 -8.744 -19.248 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.214 -9.326 -19.705 1.00 0.00 H new ATOM 0 HH21 ARG A 41 26.118 -10.208 -16.404 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.633 -10.155 -18.093 1.00 0.00 H new ATOM 692 N VAL A 42 21.428 -4.258 -14.968 1.00 0.00 N ATOM 693 CA VAL A 42 20.939 -3.084 -14.256 1.00 0.00 C ATOM 694 C VAL A 42 19.842 -3.596 -13.320 1.00 0.00 C ATOM 695 O VAL A 42 19.232 -4.636 -13.584 1.00 0.00 O ATOM 696 CB VAL A 42 20.459 -2.025 -15.277 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.785 -0.797 -14.642 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.638 -1.516 -16.120 1.00 0.00 C ATOM 0 H VAL A 42 20.680 -4.766 -15.440 1.00 0.00 H new ATOM 0 HA VAL A 42 21.703 -2.581 -13.663 1.00 0.00 H new ATOM 0 HB VAL A 42 19.717 -2.542 -15.885 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.479 -0.104 -15.426 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.909 -1.115 -14.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.489 -0.301 -13.974 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.281 -0.772 -16.832 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.384 -1.064 -15.467 1.00 0.00 H new ATOM 0 HG23 VAL A 42 22.086 -2.350 -16.660 1.00 0.00 H new ATOM 708 N GLU A 43 19.594 -2.889 -12.224 1.00 0.00 N ATOM 709 CA GLU A 43 18.627 -3.247 -11.204 1.00 0.00 C ATOM 710 C GLU A 43 17.760 -2.026 -10.921 1.00 0.00 C ATOM 711 O GLU A 43 18.256 -0.898 -10.871 1.00 0.00 O ATOM 712 CB GLU A 43 19.381 -3.714 -9.949 1.00 0.00 C ATOM 713 CG GLU A 43 18.474 -3.882 -8.719 1.00 0.00 C ATOM 714 CD GLU A 43 19.257 -4.170 -7.446 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.225 -4.958 -7.463 1.00 0.00 O ATOM 716 OE2 GLU A 43 18.869 -3.649 -6.377 1.00 0.00 O ATOM 0 H GLU A 43 20.082 -2.018 -12.017 1.00 0.00 H new ATOM 0 HA GLU A 43 17.982 -4.062 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.872 -4.664 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.166 -2.994 -9.717 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.885 -2.975 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.771 -4.695 -8.900 1.00 0.00 H new ATOM 723 N ILE A 44 16.476 -2.273 -10.674 1.00 0.00 N ATOM 724 CA ILE A 44 15.495 -1.308 -10.211 1.00 0.00 C ATOM 725 C ILE A 44 14.917 -1.902 -8.924 1.00 0.00 C ATOM 726 O ILE A 44 14.778 -3.122 -8.809 1.00 0.00 O ATOM 727 CB ILE A 44 14.366 -1.081 -11.256 1.00 0.00 C ATOM 728 CG1 ILE A 44 14.646 -1.489 -12.727 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.869 0.369 -11.167 1.00 0.00 C ATOM 730 CD1 ILE A 44 15.674 -0.663 -13.506 1.00 0.00 C ATOM 0 H ILE A 44 16.075 -3.203 -10.800 1.00 0.00 H new ATOM 0 HA ILE A 44 15.955 -0.333 -10.050 1.00 0.00 H new ATOM 0 HB ILE A 44 13.592 -1.792 -10.967 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.976 -2.528 -12.731 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.703 -1.452 -13.272 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.078 0.528 -11.900 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.481 0.560 -10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.695 1.050 -11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.769 -1.059 -14.517 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.346 0.376 -13.553 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.640 -0.716 -13.004 1.00 0.00 H new ATOM 742 N LEU A 45 14.526 -1.065 -7.969 1.00 0.00 N ATOM 743 CA LEU A 45 13.797 -1.481 -6.777 1.00 0.00 C ATOM 744 C LEU A 45 12.863 -0.326 -6.458 1.00 0.00 C ATOM 745 O LEU A 45 13.330 0.809 -6.388 1.00 0.00 O ATOM 746 CB LEU A 45 14.795 -1.778 -5.641 1.00 0.00 C ATOM 747 CG LEU A 45 14.237 -2.673 -4.517 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.381 -3.066 -3.577 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.130 -2.021 -3.683 1.00 0.00 C ATOM 0 H LEU A 45 14.710 -0.062 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 45 13.224 -2.398 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.677 -2.257 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.123 -0.834 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 45 13.792 -3.537 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.995 -3.700 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.141 -3.611 -4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.822 -2.168 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.794 -2.718 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.515 -1.118 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.292 -1.762 -4.330 1.00 0.00 H new ATOM 761 N ALA A 46 11.561 -0.571 -6.319 1.00 0.00 N ATOM 762 CA ALA A 46 10.580 0.490 -6.142 1.00 0.00 C ATOM 763 C ALA A 46 9.479 0.063 -5.177 1.00 0.00 C ATOM 764 O ALA A 46 9.256 -1.127 -4.957 1.00 0.00 O ATOM 765 CB ALA A 46 9.983 0.874 -7.500 1.00 0.00 C ATOM 0 H ALA A 46 11.161 -1.509 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 46 11.081 1.358 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.249 1.668 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.777 1.223 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.498 0.004 -7.943 1.00 0.00 H new ATOM 771 N GLU A 47 8.769 1.056 -4.653 1.00 0.00 N ATOM 772 CA GLU A 47 7.596 0.956 -3.805 1.00 0.00 C ATOM 773 C GLU A 47 6.628 2.059 -4.245 1.00 0.00 C ATOM 774 O GLU A 47 7.067 3.158 -4.607 1.00 0.00 O ATOM 775 CB GLU A 47 8.032 1.144 -2.343 1.00 0.00 C ATOM 776 CG GLU A 47 6.867 1.052 -1.348 1.00 0.00 C ATOM 777 CD GLU A 47 7.321 1.390 0.077 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.263 0.734 0.569 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.736 2.304 0.703 1.00 0.00 O ATOM 0 H GLU A 47 9.023 2.028 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 47 7.106 -0.014 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.776 0.388 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.516 2.115 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.073 1.735 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.447 0.046 -1.369 1.00 0.00 H new ATOM 786 N GLY A 48 5.323 1.778 -4.205 1.00 0.00 N ATOM 787 CA GLY A 48 4.285 2.763 -4.483 1.00 0.00 C ATOM 788 C GLY A 48 2.945 2.111 -4.820 1.00 0.00 C ATOM 789 O GLY A 48 2.781 0.907 -4.600 1.00 0.00 O ATOM 0 H GLY A 48 4.959 0.853 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.163 3.414 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.599 3.394 -5.314 1.00 0.00 H new ATOM 793 N PRO A 49 1.967 2.888 -5.320 1.00 0.00 N ATOM 794 CA PRO A 49 0.700 2.367 -5.820 1.00 0.00 C ATOM 795 C PRO A 49 0.946 1.304 -6.890 1.00 0.00 C ATOM 796 O PRO A 49 1.739 1.518 -7.807 1.00 0.00 O ATOM 797 CB PRO A 49 -0.060 3.574 -6.385 1.00 0.00 C ATOM 798 CG PRO A 49 0.563 4.768 -5.664 1.00 0.00 C ATOM 799 CD PRO A 49 2.013 4.336 -5.466 1.00 0.00 C ATOM 0 HA PRO A 49 0.121 1.881 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.060 3.652 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.130 3.501 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.492 5.679 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.069 4.967 -4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.629 4.626 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.446 4.807 -4.584 1.00 0.00 H new ATOM 807 N GLU A 50 0.261 0.166 -6.810 1.00 0.00 N ATOM 808 CA GLU A 50 0.522 -0.966 -7.691 1.00 0.00 C ATOM 809 C GLU A 50 0.196 -0.672 -9.161 1.00 0.00 C ATOM 810 O GLU A 50 0.831 -1.242 -10.047 1.00 0.00 O ATOM 811 CB GLU A 50 -0.138 -2.248 -7.162 1.00 0.00 C ATOM 812 CG GLU A 50 -1.668 -2.290 -7.090 1.00 0.00 C ATOM 813 CD GLU A 50 -2.304 -1.375 -6.021 1.00 0.00 C ATOM 814 OE1 GLU A 50 -1.612 -0.956 -5.061 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.513 -1.073 -6.138 1.00 0.00 O ATOM 0 H GLU A 50 -0.487 0.004 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 50 1.598 -1.141 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.190 -3.076 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.249 -2.434 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.069 -2.014 -8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.978 -3.317 -6.897 1.00 0.00 H new ATOM 822 N ASN A 51 -0.741 0.237 -9.454 1.00 0.00 N ATOM 823 CA ASN A 51 -0.992 0.672 -10.832 1.00 0.00 C ATOM 824 C ASN A 51 0.172 1.512 -11.364 1.00 0.00 C ATOM 825 O ASN A 51 0.607 1.332 -12.503 1.00 0.00 O ATOM 826 CB ASN A 51 -2.292 1.482 -10.917 1.00 0.00 C ATOM 827 CG ASN A 51 -2.524 1.970 -12.346 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.780 1.177 -13.247 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.433 3.267 -12.592 1.00 0.00 N ATOM 0 H ASN A 51 -1.336 0.684 -8.757 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.088 -0.223 -11.447 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.133 0.867 -10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.242 2.334 -10.239 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.576 3.618 -13.539 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.220 3.916 -11.835 1.00 0.00 H new ATOM 836 N ALA A 52 0.698 2.417 -10.533 1.00 0.00 N ATOM 837 CA ALA A 52 1.841 3.247 -10.890 1.00 0.00 C ATOM 838 C ALA A 52 3.086 2.377 -11.071 1.00 0.00 C ATOM 839 O ALA A 52 3.848 2.593 -12.011 1.00 0.00 O ATOM 840 CB ALA A 52 2.072 4.312 -9.814 1.00 0.00 C ATOM 0 H ALA A 52 0.339 2.591 -9.594 1.00 0.00 H new ATOM 0 HA ALA A 52 1.636 3.751 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.928 4.928 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.186 4.941 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.267 3.827 -8.858 1.00 0.00 H new ATOM 846 N LEU A 53 3.269 1.370 -10.213 1.00 0.00 N ATOM 847 CA LEU A 53 4.355 0.410 -10.323 1.00 0.00 C ATOM 848 C LEU A 53 4.243 -0.374 -11.627 1.00 0.00 C ATOM 849 O LEU A 53 5.226 -0.458 -12.348 1.00 0.00 O ATOM 850 CB LEU A 53 4.346 -0.543 -9.118 1.00 0.00 C ATOM 851 CG LEU A 53 4.936 0.052 -7.826 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.700 -0.927 -6.676 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.446 0.311 -7.921 1.00 0.00 C ATOM 0 H LEU A 53 2.656 1.202 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 53 5.301 0.952 -10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.319 -0.853 -8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.906 -1.441 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 53 4.439 1.008 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.114 -0.514 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.630 -1.090 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.187 -1.876 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.803 0.730 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.964 -0.627 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.644 1.014 -8.730 1.00 0.00 H new ATOM 865 N GLN A 54 3.069 -0.910 -11.981 1.00 0.00 N ATOM 866 CA GLN A 54 2.905 -1.631 -13.248 1.00 0.00 C ATOM 867 C GLN A 54 3.234 -0.718 -14.437 1.00 0.00 C ATOM 868 O GLN A 54 3.958 -1.123 -15.351 1.00 0.00 O ATOM 869 CB GLN A 54 1.481 -2.197 -13.348 1.00 0.00 C ATOM 870 CG GLN A 54 1.313 -3.443 -12.465 1.00 0.00 C ATOM 871 CD GLN A 54 -0.159 -3.814 -12.299 1.00 0.00 C ATOM 872 OE1 GLN A 54 -0.705 -4.639 -13.030 1.00 0.00 O ATOM 873 NE2 GLN A 54 -0.830 -3.204 -11.337 1.00 0.00 N ATOM 0 H GLN A 54 2.224 -0.859 -11.412 1.00 0.00 H new ATOM 0 HA GLN A 54 3.605 -2.466 -13.276 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.762 -1.435 -13.046 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.260 -2.451 -14.385 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.853 -4.280 -12.908 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.756 -3.260 -11.486 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.360 -2.523 -10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.817 -3.415 -11.191 1.00 0.00 H new ATOM 882 N SER A 55 2.776 0.534 -14.394 1.00 0.00 N ATOM 883 CA SER A 55 3.096 1.527 -15.412 1.00 0.00 C ATOM 884 C SER A 55 4.613 1.785 -15.474 1.00 0.00 C ATOM 885 O SER A 55 5.177 1.964 -16.555 1.00 0.00 O ATOM 886 CB SER A 55 2.317 2.815 -15.120 1.00 0.00 C ATOM 887 OG SER A 55 0.928 2.568 -14.962 1.00 0.00 O ATOM 0 H SER A 55 2.172 0.885 -13.650 1.00 0.00 H new ATOM 0 HA SER A 55 2.799 1.151 -16.391 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.709 3.279 -14.215 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.470 3.524 -15.934 1.00 0.00 H new ATOM 0 HG SER A 55 0.762 2.186 -14.075 1.00 0.00 H new ATOM 893 N PHE A 56 5.297 1.764 -14.330 1.00 0.00 N ATOM 894 CA PHE A 56 6.739 1.889 -14.268 1.00 0.00 C ATOM 895 C PHE A 56 7.431 0.643 -14.839 1.00 0.00 C ATOM 896 O PHE A 56 8.444 0.815 -15.510 1.00 0.00 O ATOM 897 CB PHE A 56 7.165 2.230 -12.832 1.00 0.00 C ATOM 898 CG PHE A 56 8.633 2.548 -12.602 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.355 3.356 -13.504 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.265 2.092 -11.427 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.693 3.688 -13.238 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.600 2.429 -11.158 1.00 0.00 C ATOM 903 CZ PHE A 56 11.311 3.229 -12.063 1.00 0.00 C ATOM 0 H PHE A 56 4.855 1.659 -13.417 1.00 0.00 H new ATOM 0 HA PHE A 56 7.065 2.713 -14.902 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.577 3.086 -12.499 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.896 1.390 -12.191 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.878 3.720 -14.402 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.717 1.478 -10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.247 4.297 -13.937 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.078 2.073 -10.257 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.338 3.493 -11.856 1.00 0.00 H new ATOM 913 N VAL A 57 6.888 -0.577 -14.703 1.00 0.00 N ATOM 914 CA VAL A 57 7.425 -1.728 -15.436 1.00 0.00 C ATOM 915 C VAL A 57 7.284 -1.475 -16.936 1.00 0.00 C ATOM 916 O VAL A 57 8.231 -1.737 -17.671 1.00 0.00 O ATOM 917 CB VAL A 57 6.772 -3.081 -15.067 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.591 -4.246 -15.650 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.665 -3.312 -13.558 1.00 0.00 C ATOM 0 H VAL A 57 6.091 -0.788 -14.102 1.00 0.00 H new ATOM 0 HA VAL A 57 8.472 -1.818 -15.147 1.00 0.00 H new ATOM 0 HB VAL A 57 5.767 -3.043 -15.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.120 -5.192 -15.382 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.631 -4.155 -16.735 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.603 -4.218 -15.246 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.198 -4.279 -13.370 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.661 -3.298 -13.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.059 -2.524 -13.111 1.00 0.00 H new ATOM 929 N GLU A 58 6.148 -0.943 -17.403 1.00 0.00 N ATOM 930 CA GLU A 58 5.964 -0.654 -18.823 1.00 0.00 C ATOM 931 C GLU A 58 7.009 0.359 -19.310 1.00 0.00 C ATOM 932 O GLU A 58 7.547 0.198 -20.408 1.00 0.00 O ATOM 933 CB GLU A 58 4.532 -0.190 -19.133 1.00 0.00 C ATOM 934 CG GLU A 58 3.507 -1.319 -18.958 1.00 0.00 C ATOM 935 CD GLU A 58 2.094 -0.865 -19.369 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.334 -0.357 -18.514 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.720 -1.031 -20.553 1.00 0.00 O ATOM 0 H GLU A 58 5.347 -0.706 -16.817 1.00 0.00 H new ATOM 0 HA GLU A 58 6.116 -1.582 -19.374 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.271 0.641 -18.477 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.486 0.185 -20.156 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.804 -2.178 -19.559 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.498 -1.646 -17.918 1.00 0.00 H new ATOM 944 N ALA A 59 7.352 1.361 -18.490 1.00 0.00 N ATOM 945 CA ALA A 59 8.437 2.280 -18.800 1.00 0.00 C ATOM 946 C ALA A 59 9.795 1.564 -18.832 1.00 0.00 C ATOM 947 O ALA A 59 10.542 1.703 -19.799 1.00 0.00 O ATOM 948 CB ALA A 59 8.448 3.422 -17.784 1.00 0.00 C ATOM 0 H ALA A 59 6.886 1.550 -17.603 1.00 0.00 H new ATOM 0 HA ALA A 59 8.267 2.688 -19.796 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.261 4.109 -18.018 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.499 3.956 -17.826 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.592 3.017 -16.783 1.00 0.00 H new ATOM 954 N VAL A 60 10.120 0.793 -17.791 1.00 0.00 N ATOM 955 CA VAL A 60 11.411 0.127 -17.641 1.00 0.00 C ATOM 956 C VAL A 60 11.630 -0.864 -18.788 1.00 0.00 C ATOM 957 O VAL A 60 12.699 -0.860 -19.396 1.00 0.00 O ATOM 958 CB VAL A 60 11.481 -0.540 -16.247 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.633 -1.544 -16.091 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.651 0.518 -15.142 1.00 0.00 C ATOM 0 H VAL A 60 9.481 0.613 -17.017 1.00 0.00 H new ATOM 0 HA VAL A 60 12.222 0.853 -17.699 1.00 0.00 H new ATOM 0 HB VAL A 60 10.538 -1.078 -16.152 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.613 -1.967 -15.087 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.521 -2.343 -16.824 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.583 -1.035 -16.251 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.698 0.025 -14.171 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.572 1.076 -15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.804 1.203 -15.161 1.00 0.00 H new ATOM 970 N LYS A 61 10.637 -1.699 -19.117 1.00 0.00 N ATOM 971 CA LYS A 61 10.803 -2.768 -20.100 1.00 0.00 C ATOM 972 C LYS A 61 11.021 -2.227 -21.515 1.00 0.00 C ATOM 973 O LYS A 61 11.570 -2.943 -22.351 1.00 0.00 O ATOM 974 CB LYS A 61 9.637 -3.774 -20.013 1.00 0.00 C ATOM 975 CG LYS A 61 8.332 -3.318 -20.686 1.00 0.00 C ATOM 976 CD LYS A 61 7.231 -4.374 -20.512 1.00 0.00 C ATOM 977 CE LYS A 61 5.981 -3.990 -21.318 1.00 0.00 C ATOM 978 NZ LYS A 61 4.904 -5.006 -21.204 1.00 0.00 N ATOM 0 H LYS A 61 9.703 -1.651 -18.710 1.00 0.00 H new ATOM 0 HA LYS A 61 11.716 -3.311 -19.854 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.953 -4.713 -20.467 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.433 -3.981 -18.962 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.006 -2.372 -20.254 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.507 -3.140 -21.747 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.597 -5.347 -20.840 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.975 -4.470 -19.457 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.608 -3.027 -20.969 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.251 -3.866 -22.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.081 -4.704 -21.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.249 -5.920 -21.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.626 -5.107 -20.207 1.00 0.00 H new ATOM 992 N ASN A 62 10.623 -0.978 -21.795 1.00 0.00 N ATOM 993 CA ASN A 62 10.934 -0.324 -23.066 1.00 0.00 C ATOM 994 C ASN A 62 12.436 -0.053 -23.196 1.00 0.00 C ATOM 995 O ASN A 62 12.959 -0.003 -24.310 1.00 0.00 O ATOM 996 CB ASN A 62 10.179 1.009 -23.184 1.00 0.00 C ATOM 997 CG ASN A 62 10.373 1.638 -24.562 1.00 0.00 C ATOM 998 OD1 ASN A 62 9.767 1.211 -25.540 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.199 2.665 -24.668 1.00 0.00 N ATOM 0 H ASN A 62 10.082 -0.401 -21.151 1.00 0.00 H new ATOM 0 HA ASN A 62 10.622 -0.998 -23.864 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.117 0.845 -23.003 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.530 1.697 -22.415 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.340 3.115 -25.573 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.695 3.008 -23.845 1.00 0.00 H new ATOM 1006 N GLY A 63 13.130 0.147 -22.070 1.00 0.00 N ATOM 1007 CA GLY A 63 14.380 0.887 -22.041 1.00 0.00 C ATOM 1008 C GLY A 63 14.098 2.376 -22.260 1.00 0.00 C ATOM 1009 O GLY A 63 12.945 2.778 -22.452 1.00 0.00 O ATOM 0 H GLY A 63 12.835 -0.202 -21.158 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.881 0.738 -21.085 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.053 0.516 -22.814 1.00 0.00 H new ATOM 1013 N SER A 64 15.136 3.212 -22.292 1.00 0.00 N ATOM 1014 CA SER A 64 14.995 4.493 -22.982 1.00 0.00 C ATOM 1015 C SER A 64 14.781 4.185 -24.475 1.00 0.00 C ATOM 1016 O SER A 64 15.237 3.141 -24.945 1.00 0.00 O ATOM 1017 CB SER A 64 16.229 5.396 -22.805 1.00 0.00 C ATOM 1018 OG SER A 64 17.047 5.018 -21.717 1.00 0.00 O ATOM 0 H SER A 64 16.047 3.037 -21.868 1.00 0.00 H new ATOM 0 HA SER A 64 14.152 5.037 -22.557 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.821 5.374 -23.720 1.00 0.00 H new ATOM 0 HB3 SER A 64 15.900 6.425 -22.663 1.00 0.00 H new ATOM 0 HG SER A 64 17.577 4.232 -21.964 1.00 0.00 H new ATOM 1024 N PRO A 65 14.189 5.093 -25.264 1.00 0.00 N ATOM 1025 CA PRO A 65 14.233 5.035 -26.723 1.00 0.00 C ATOM 1026 C PRO A 65 15.639 4.764 -27.298 1.00 0.00 C ATOM 1027 O PRO A 65 15.764 4.088 -28.322 1.00 0.00 O ATOM 1028 CB PRO A 65 13.673 6.384 -27.182 1.00 0.00 C ATOM 1029 CG PRO A 65 12.687 6.746 -26.070 1.00 0.00 C ATOM 1030 CD PRO A 65 13.338 6.179 -24.809 1.00 0.00 C ATOM 0 HA PRO A 65 13.650 4.192 -27.092 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.458 7.133 -27.284 1.00 0.00 H new ATOM 0 HB3 PRO A 65 13.178 6.307 -28.150 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.544 7.824 -25.997 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.706 6.306 -26.246 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.919 6.942 -24.291 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.586 5.820 -24.107 1.00 0.00 H new ATOM 1038 N PHE A 66 16.695 5.265 -26.641 1.00 0.00 N ATOM 1039 CA PHE A 66 18.089 5.035 -27.025 1.00 0.00 C ATOM 1040 C PHE A 66 18.574 3.614 -26.689 1.00 0.00 C ATOM 1041 O PHE A 66 19.476 3.099 -27.351 1.00 0.00 O ATOM 1042 CB PHE A 66 18.987 6.051 -26.299 1.00 0.00 C ATOM 1043 CG PHE A 66 18.526 7.497 -26.388 1.00 0.00 C ATOM 1044 CD1 PHE A 66 18.461 8.145 -27.638 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.140 8.189 -25.222 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.008 9.474 -27.720 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.686 9.518 -25.308 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.618 10.161 -26.557 1.00 0.00 C ATOM 0 H PHE A 66 16.599 5.852 -25.813 1.00 0.00 H new ATOM 0 HA PHE A 66 18.149 5.155 -28.107 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.051 5.770 -25.248 1.00 0.00 H new ATOM 0 HB3 PHE A 66 19.994 5.981 -26.710 1.00 0.00 H new ATOM 0 HD1 PHE A 66 18.759 7.621 -28.534 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.193 7.698 -24.261 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.960 9.968 -28.679 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.389 10.045 -24.413 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.267 11.180 -26.623 1.00 0.00 H new ATOM 1058 N SER A 67 18.019 2.999 -25.644 1.00 0.00 N ATOM 1059 CA SER A 67 18.401 1.692 -25.124 1.00 0.00 C ATOM 1060 C SER A 67 17.817 0.561 -25.986 1.00 0.00 C ATOM 1061 O SER A 67 17.000 0.799 -26.881 1.00 0.00 O ATOM 1062 CB SER A 67 17.858 1.577 -23.690 1.00 0.00 C ATOM 1063 OG SER A 67 18.059 2.774 -22.946 1.00 0.00 O ATOM 0 H SER A 67 17.256 3.421 -25.115 1.00 0.00 H new ATOM 0 HA SER A 67 19.487 1.598 -25.140 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.793 1.345 -23.723 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.349 0.747 -23.182 1.00 0.00 H new ATOM 0 HG SER A 67 18.820 3.267 -23.319 1.00 0.00 H new ATOM 1069 N LYS A 68 18.159 -0.688 -25.651 1.00 0.00 N ATOM 1070 CA LYS A 68 17.318 -1.842 -25.962 1.00 0.00 C ATOM 1071 C LYS A 68 17.434 -2.831 -24.812 1.00 0.00 C ATOM 1072 O LYS A 68 18.512 -3.367 -24.564 1.00 0.00 O ATOM 1073 CB LYS A 68 17.637 -2.479 -27.332 1.00 0.00 C ATOM 1074 CG LYS A 68 19.118 -2.767 -27.633 1.00 0.00 C ATOM 1075 CD LYS A 68 19.266 -3.596 -28.916 1.00 0.00 C ATOM 1076 CE LYS A 68 20.752 -3.834 -29.223 1.00 0.00 C ATOM 1077 NZ LYS A 68 20.949 -4.627 -30.462 1.00 0.00 N ATOM 0 H LYS A 68 19.021 -0.923 -25.160 1.00 0.00 H new ATOM 0 HA LYS A 68 16.284 -1.513 -26.060 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.086 -3.416 -27.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 17.254 -1.820 -28.111 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.661 -1.828 -27.738 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.566 -3.302 -26.796 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.753 -4.551 -28.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.793 -3.077 -29.750 1.00 0.00 H new ATOM 0 HE2 LYS A 68 21.259 -2.874 -29.324 1.00 0.00 H new ATOM 0 HE3 LYS A 68 21.216 -4.353 -28.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.966 -4.763 -30.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.489 -5.554 -30.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.530 -4.121 -31.268 1.00 0.00 H new ATOM 1091 N VAL A 69 16.337 -3.054 -24.094 1.00 0.00 N ATOM 1092 CA VAL A 69 16.214 -4.189 -23.191 1.00 0.00 C ATOM 1093 C VAL A 69 16.125 -5.436 -24.075 1.00 0.00 C ATOM 1094 O VAL A 69 15.396 -5.431 -25.072 1.00 0.00 O ATOM 1095 CB VAL A 69 14.963 -4.019 -22.299 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.758 -5.207 -21.347 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.057 -2.732 -21.465 1.00 0.00 C ATOM 0 H VAL A 69 15.512 -2.454 -24.123 1.00 0.00 H new ATOM 0 HA VAL A 69 17.066 -4.271 -22.516 1.00 0.00 H new ATOM 0 HB VAL A 69 14.111 -3.966 -22.976 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.867 -5.039 -20.742 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.636 -6.121 -21.927 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.626 -5.304 -20.695 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.166 -2.634 -20.845 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.940 -2.776 -20.827 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.133 -1.872 -22.130 1.00 0.00 H new ATOM 1107 N THR A 70 16.837 -6.501 -23.712 1.00 0.00 N ATOM 1108 CA THR A 70 16.780 -7.788 -24.396 1.00 0.00 C ATOM 1109 C THR A 70 16.297 -8.891 -23.441 1.00 0.00 C ATOM 1110 O THR A 70 15.800 -9.917 -23.909 1.00 0.00 O ATOM 1111 CB THR A 70 18.143 -8.090 -25.047 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.177 -8.104 -24.082 1.00 0.00 O ATOM 1113 CG2 THR A 70 18.518 -7.031 -26.095 1.00 0.00 C ATOM 0 H THR A 70 17.480 -6.492 -22.920 1.00 0.00 H new ATOM 0 HA THR A 70 16.045 -7.750 -25.200 1.00 0.00 H new ATOM 0 HB THR A 70 18.042 -9.067 -25.519 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.031 -8.300 -24.521 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.485 -7.278 -26.532 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.761 -7.010 -26.879 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.574 -6.052 -25.619 1.00 0.00 H new ATOM 1121 N ASP A 71 16.363 -8.675 -22.119 1.00 0.00 N ATOM 1122 CA ASP A 71 15.754 -9.541 -21.110 1.00 0.00 C ATOM 1123 C ASP A 71 15.483 -8.723 -19.845 1.00 0.00 C ATOM 1124 O ASP A 71 16.175 -7.737 -19.577 1.00 0.00 O ATOM 1125 CB ASP A 71 16.672 -10.733 -20.795 1.00 0.00 C ATOM 1126 CG ASP A 71 16.067 -11.652 -19.722 1.00 0.00 C ATOM 1127 OD1 ASP A 71 14.896 -12.065 -19.872 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.770 -11.985 -18.743 1.00 0.00 O ATOM 0 H ASP A 71 16.853 -7.875 -21.717 1.00 0.00 H new ATOM 0 HA ASP A 71 14.813 -9.936 -21.494 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.850 -11.305 -21.705 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.640 -10.366 -20.455 1.00 0.00 H new ATOM 1133 N ILE A 72 14.472 -9.116 -19.073 1.00 0.00 N ATOM 1134 CA ILE A 72 14.039 -8.452 -17.850 1.00 0.00 C ATOM 1135 C ILE A 72 13.435 -9.514 -16.918 1.00 0.00 C ATOM 1136 O ILE A 72 12.829 -10.484 -17.385 1.00 0.00 O ATOM 1137 CB ILE A 72 13.074 -7.285 -18.196 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.589 -6.559 -16.922 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.885 -7.718 -19.082 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.880 -5.227 -17.197 1.00 0.00 C ATOM 0 H ILE A 72 13.911 -9.939 -19.293 1.00 0.00 H new ATOM 0 HA ILE A 72 14.873 -7.992 -17.320 1.00 0.00 H new ATOM 0 HB ILE A 72 13.655 -6.580 -18.791 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.910 -7.215 -16.378 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.445 -6.376 -16.272 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.250 -6.856 -19.286 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.260 -8.123 -20.022 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.304 -8.481 -18.564 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.569 -4.778 -16.253 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.562 -4.551 -17.713 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.004 -5.403 -17.821 1.00 0.00 H new ATOM 1152 N SER A 73 13.585 -9.315 -15.608 1.00 0.00 N ATOM 1153 CA SER A 73 13.160 -10.221 -14.547 1.00 0.00 C ATOM 1154 C SER A 73 12.554 -9.376 -13.424 1.00 0.00 C ATOM 1155 O SER A 73 13.033 -8.270 -13.177 1.00 0.00 O ATOM 1156 CB SER A 73 14.384 -10.998 -14.036 1.00 0.00 C ATOM 1157 OG SER A 73 14.975 -11.767 -15.074 1.00 0.00 O ATOM 0 H SER A 73 14.030 -8.473 -15.242 1.00 0.00 H new ATOM 0 HA SER A 73 12.420 -10.935 -14.909 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.119 -10.301 -13.633 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.086 -11.654 -13.218 1.00 0.00 H new ATOM 0 HG SER A 73 15.752 -12.249 -14.722 1.00 0.00 H new ATOM 1163 N VAL A 74 11.522 -9.879 -12.741 1.00 0.00 N ATOM 1164 CA VAL A 74 10.761 -9.141 -11.730 1.00 0.00 C ATOM 1165 C VAL A 74 10.522 -10.066 -10.534 1.00 0.00 C ATOM 1166 O VAL A 74 10.273 -11.263 -10.708 1.00 0.00 O ATOM 1167 CB VAL A 74 9.418 -8.652 -12.334 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.574 -7.845 -11.326 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.619 -7.810 -13.607 1.00 0.00 C ATOM 0 H VAL A 74 11.185 -10.832 -12.879 1.00 0.00 H new ATOM 0 HA VAL A 74 11.317 -8.263 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 74 8.877 -9.562 -12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.646 -7.528 -11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.345 -8.469 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.134 -6.968 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.649 -7.493 -13.990 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.221 -6.932 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.129 -8.408 -14.362 1.00 0.00 H new ATOM 1179 N THR A 75 10.536 -9.492 -9.331 1.00 0.00 N ATOM 1180 CA THR A 75 10.126 -10.130 -8.088 1.00 0.00 C ATOM 1181 C THR A 75 9.306 -9.075 -7.342 1.00 0.00 C ATOM 1182 O THR A 75 9.839 -8.011 -7.024 1.00 0.00 O ATOM 1183 CB THR A 75 11.370 -10.563 -7.279 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.370 -11.141 -8.104 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.019 -11.591 -6.200 1.00 0.00 C ATOM 0 H THR A 75 10.847 -8.530 -9.194 1.00 0.00 H new ATOM 0 HA THR A 75 9.539 -11.033 -8.256 1.00 0.00 H new ATOM 0 HB THR A 75 11.747 -9.649 -6.821 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.139 -11.399 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.921 -11.869 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.295 -11.160 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.590 -12.477 -6.668 1.00 0.00 H new ATOM 1193 N GLU A 76 8.012 -9.309 -7.102 1.00 0.00 N ATOM 1194 CA GLU A 76 7.277 -8.480 -6.153 1.00 0.00 C ATOM 1195 C GLU A 76 7.779 -8.792 -4.740 1.00 0.00 C ATOM 1196 O GLU A 76 8.272 -9.891 -4.462 1.00 0.00 O ATOM 1197 CB GLU A 76 5.753 -8.651 -6.280 1.00 0.00 C ATOM 1198 CG GLU A 76 5.232 -10.065 -5.978 1.00 0.00 C ATOM 1199 CD GLU A 76 3.703 -10.071 -5.820 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.211 -9.801 -4.700 1.00 0.00 O ATOM 1201 OE2 GLU A 76 2.983 -10.366 -6.801 1.00 0.00 O ATOM 0 H GLU A 76 7.465 -10.049 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 76 7.466 -7.430 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.266 -7.948 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.455 -8.378 -7.292 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.520 -10.741 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.696 -10.440 -5.066 1.00 0.00 H new ATOM 1208 N SER A 77 7.602 -7.832 -3.843 1.00 0.00 N ATOM 1209 CA SER A 77 8.023 -7.894 -2.454 1.00 0.00 C ATOM 1210 C SER A 77 6.946 -7.223 -1.602 1.00 0.00 C ATOM 1211 O SER A 77 6.154 -6.419 -2.103 1.00 0.00 O ATOM 1212 CB SER A 77 9.380 -7.192 -2.303 1.00 0.00 C ATOM 1213 OG SER A 77 10.382 -7.801 -3.103 1.00 0.00 O ATOM 0 H SER A 77 7.141 -6.952 -4.075 1.00 0.00 H new ATOM 0 HA SER A 77 8.144 -8.926 -2.124 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.280 -6.143 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.686 -7.215 -1.257 1.00 0.00 H new ATOM 0 HG SER A 77 11.231 -7.326 -2.982 1.00 0.00 H new ATOM 1219 N ARG A 78 6.884 -7.580 -0.317 1.00 0.00 N ATOM 1220 CA ARG A 78 5.873 -7.094 0.626 1.00 0.00 C ATOM 1221 C ARG A 78 6.554 -6.834 1.976 1.00 0.00 C ATOM 1222 O ARG A 78 6.019 -7.165 3.036 1.00 0.00 O ATOM 1223 CB ARG A 78 4.683 -8.083 0.691 1.00 0.00 C ATOM 1224 CG ARG A 78 4.014 -8.287 -0.682 1.00 0.00 C ATOM 1225 CD ARG A 78 2.743 -9.136 -0.622 1.00 0.00 C ATOM 1226 NE ARG A 78 2.219 -9.371 -1.980 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.939 -9.491 -2.345 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.051 -9.421 -1.457 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.682 -9.681 -3.631 1.00 0.00 N ATOM 0 H ARG A 78 7.548 -8.228 0.106 1.00 0.00 H new ATOM 0 HA ARG A 78 5.442 -6.149 0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.033 -9.044 1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.944 -7.712 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.771 -7.313 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.726 -8.761 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.957 -10.089 -0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.990 -8.632 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 78 2.911 -9.451 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.159 -9.272 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.019 -9.516 -1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.448 -9.731 -4.302 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.282 -9.777 -3.950 1.00 0.00 H new ATOM 1243 N SER A 79 7.765 -6.279 1.920 1.00 0.00 N ATOM 1244 CA SER A 79 8.700 -6.091 3.023 1.00 0.00 C ATOM 1245 C SER A 79 9.298 -4.690 2.843 1.00 0.00 C ATOM 1246 O SER A 79 10.461 -4.533 2.464 1.00 0.00 O ATOM 1247 CB SER A 79 9.748 -7.217 2.997 1.00 0.00 C ATOM 1248 OG SER A 79 9.137 -8.502 3.004 1.00 0.00 O ATOM 0 H SER A 79 8.142 -5.925 1.041 1.00 0.00 H new ATOM 0 HA SER A 79 8.227 -6.149 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.371 -7.115 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.406 -7.122 3.860 1.00 0.00 H new ATOM 0 HG SER A 79 9.831 -9.194 2.985 1.00 0.00 H new ATOM 1254 N LEU A 80 8.417 -3.691 2.981 1.00 0.00 N ATOM 1255 CA LEU A 80 8.516 -2.343 2.417 1.00 0.00 C ATOM 1256 C LEU A 80 9.862 -1.646 2.653 1.00 0.00 C ATOM 1257 O LEU A 80 10.503 -1.818 3.694 1.00 0.00 O ATOM 1258 CB LEU A 80 7.364 -1.478 2.968 1.00 0.00 C ATOM 1259 CG LEU A 80 5.942 -1.951 2.593 1.00 0.00 C ATOM 1260 CD1 LEU A 80 4.915 -0.936 3.109 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.740 -2.153 1.085 1.00 0.00 C ATOM 0 H LEU A 80 7.562 -3.813 3.525 1.00 0.00 H new ATOM 0 HA LEU A 80 8.440 -2.457 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.443 -1.447 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.495 -0.457 2.609 1.00 0.00 H new ATOM 0 HG LEU A 80 5.803 -2.925 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.911 -1.268 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.997 -0.854 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.106 0.037 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.719 -2.485 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.918 -1.212 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.440 -2.906 0.722 1.00 0.00 H new ATOM 1273 N GLU A 81 10.247 -0.799 1.696 1.00 0.00 N ATOM 1274 CA GLU A 81 11.395 0.094 1.784 1.00 0.00 C ATOM 1275 C GLU A 81 11.089 1.248 2.746 1.00 0.00 C ATOM 1276 O GLU A 81 11.993 1.746 3.421 1.00 0.00 O ATOM 1277 CB GLU A 81 11.707 0.702 0.400 1.00 0.00 C ATOM 1278 CG GLU A 81 12.081 -0.304 -0.693 1.00 0.00 C ATOM 1279 CD GLU A 81 13.291 -1.167 -0.297 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.394 -0.623 -0.071 1.00 0.00 O ATOM 1281 OE2 GLU A 81 13.127 -2.404 -0.208 1.00 0.00 O ATOM 0 H GLU A 81 9.748 -0.716 0.810 1.00 0.00 H new ATOM 0 HA GLU A 81 12.247 -0.485 2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.837 1.268 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.526 1.413 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.227 -0.950 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.305 0.231 -1.616 1.00 0.00 H new ATOM 1288 N GLY A 82 9.831 1.707 2.777 1.00 0.00 N ATOM 1289 CA GLY A 82 9.398 2.864 3.554 1.00 0.00 C ATOM 1290 C GLY A 82 10.113 4.163 3.154 1.00 0.00 C ATOM 1291 O GLY A 82 10.146 5.110 3.943 1.00 0.00 O ATOM 0 H GLY A 82 9.074 1.272 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.323 2.995 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.575 2.670 4.612 1.00 0.00 H new ATOM 1295 N HIS A 83 10.727 4.200 1.965 1.00 0.00 N ATOM 1296 CA HIS A 83 11.447 5.356 1.448 1.00 0.00 C ATOM 1297 C HIS A 83 10.462 6.457 1.026 1.00 0.00 C ATOM 1298 O HIS A 83 9.262 6.209 0.869 1.00 0.00 O ATOM 1299 CB HIS A 83 12.342 4.910 0.276 1.00 0.00 C ATOM 1300 CG HIS A 83 13.614 4.206 0.695 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.808 3.396 1.796 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.815 4.277 0.039 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.088 2.989 1.794 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.750 3.505 0.742 1.00 0.00 N ATOM 0 H HIS A 83 10.733 3.405 1.326 1.00 0.00 H new ATOM 0 HA HIS A 83 12.082 5.776 2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.769 4.245 -0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.604 5.785 -0.319 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.102 3.150 2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.008 4.833 -0.866 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.526 2.337 2.535 1.00 0.00 H new ATOM 1312 N HIS A 84 10.985 7.667 0.798 1.00 0.00 N ATOM 1313 CA HIS A 84 10.201 8.862 0.473 1.00 0.00 C ATOM 1314 C HIS A 84 10.703 9.565 -0.801 1.00 0.00 C ATOM 1315 O HIS A 84 10.190 10.629 -1.157 1.00 0.00 O ATOM 1316 CB HIS A 84 10.203 9.808 1.686 1.00 0.00 C ATOM 1317 CG HIS A 84 11.570 10.353 2.031 1.00 0.00 C ATOM 1318 ND1 HIS A 84 12.210 11.408 1.414 1.00 0.00 N ATOM 1319 CD2 HIS A 84 12.414 9.885 3.003 1.00 0.00 C ATOM 1320 CE1 HIS A 84 13.409 11.567 1.998 1.00 0.00 C ATOM 1321 NE2 HIS A 84 13.584 10.658 2.977 1.00 0.00 N ATOM 0 H HIS A 84 11.989 7.846 0.835 1.00 0.00 H new ATOM 0 HA HIS A 84 9.177 8.558 0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.529 10.641 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.805 9.276 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.213 9.063 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.133 12.319 1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 84 14.402 10.553 3.578 1.00 0.00 H new ATOM 1329 N ARG A 85 11.700 9.000 -1.491 1.00 0.00 N ATOM 1330 CA ARG A 85 12.238 9.512 -2.750 1.00 0.00 C ATOM 1331 C ARG A 85 12.713 8.338 -3.600 1.00 0.00 C ATOM 1332 O ARG A 85 12.886 7.233 -3.076 1.00 0.00 O ATOM 1333 CB ARG A 85 13.393 10.498 -2.486 1.00 0.00 C ATOM 1334 CG ARG A 85 14.572 9.895 -1.690 1.00 0.00 C ATOM 1335 CD ARG A 85 15.841 10.745 -1.822 1.00 0.00 C ATOM 1336 NE ARG A 85 16.363 10.682 -3.199 1.00 0.00 N ATOM 1337 CZ ARG A 85 16.934 11.666 -3.898 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.313 12.798 -3.309 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.106 11.492 -5.202 1.00 0.00 N ATOM 0 H ARG A 85 12.166 8.149 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 85 11.458 10.053 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.766 10.868 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.004 11.358 -1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.297 9.813 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.772 8.885 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.622 11.779 -1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.598 10.390 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 85 16.278 9.783 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.169 12.925 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.748 13.539 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.805 10.624 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.539 12.226 -5.762 1.00 0.00 H new ATOM 1353 N PHE A 86 12.952 8.577 -4.886 1.00 0.00 N ATOM 1354 CA PHE A 86 13.671 7.644 -5.742 1.00 0.00 C ATOM 1355 C PHE A 86 15.132 8.106 -5.814 1.00 0.00 C ATOM 1356 O PHE A 86 15.393 9.304 -5.651 1.00 0.00 O ATOM 1357 CB PHE A 86 13.004 7.582 -7.124 1.00 0.00 C ATOM 1358 CG PHE A 86 13.209 6.254 -7.825 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.558 5.094 -7.369 1.00 0.00 C ATOM 1360 CD2 PHE A 86 14.037 6.176 -8.952 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.782 3.859 -8.000 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.269 4.946 -9.589 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.647 3.783 -9.105 1.00 0.00 C ATOM 0 H PHE A 86 12.651 9.426 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 86 13.644 6.632 -5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.935 7.766 -7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.402 8.381 -7.749 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.882 5.153 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.502 7.072 -9.336 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.290 2.969 -7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.923 4.894 -10.447 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.833 2.832 -9.581 1.00 0.00 H new ATOM 1373 N SER A 87 16.078 7.195 -6.053 1.00 0.00 N ATOM 1374 CA SER A 87 17.508 7.521 -6.064 1.00 0.00 C ATOM 1375 C SER A 87 18.260 6.772 -7.171 1.00 0.00 C ATOM 1376 O SER A 87 17.784 5.748 -7.675 1.00 0.00 O ATOM 1377 CB SER A 87 18.092 7.201 -4.680 1.00 0.00 C ATOM 1378 OG SER A 87 17.398 7.913 -3.664 1.00 0.00 O ATOM 0 H SER A 87 15.877 6.213 -6.244 1.00 0.00 H new ATOM 0 HA SER A 87 17.629 8.583 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.025 6.130 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.150 7.463 -4.657 1.00 0.00 H new ATOM 0 HG SER A 87 17.784 7.695 -2.790 1.00 0.00 H new ATOM 1384 N ILE A 88 19.432 7.278 -7.568 1.00 0.00 N ATOM 1385 CA ILE A 88 20.396 6.553 -8.398 1.00 0.00 C ATOM 1386 C ILE A 88 21.488 6.110 -7.418 1.00 0.00 C ATOM 1387 O ILE A 88 21.959 6.915 -6.608 1.00 0.00 O ATOM 1388 CB ILE A 88 20.970 7.413 -9.559 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.875 8.143 -10.368 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.765 6.512 -10.524 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.372 9.034 -11.514 1.00 0.00 C ATOM 0 H ILE A 88 19.741 8.217 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 88 19.927 5.711 -8.907 1.00 0.00 H new ATOM 0 HB ILE A 88 21.608 8.169 -9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.197 7.396 -10.782 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.292 8.758 -9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.167 7.116 -11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.585 6.036 -9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.106 5.746 -10.932 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.519 9.496 -12.012 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.023 9.811 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.927 8.429 -12.231 1.00 0.00 H new ATOM 1403 N VAL A 89 21.858 4.834 -7.460 1.00 0.00 N ATOM 1404 CA VAL A 89 22.718 4.173 -6.485 1.00 0.00 C ATOM 1405 C VAL A 89 23.773 3.371 -7.265 1.00 0.00 C ATOM 1406 O VAL A 89 23.581 3.075 -8.445 1.00 0.00 O ATOM 1407 CB VAL A 89 21.809 3.318 -5.560 1.00 0.00 C ATOM 1408 CG1 VAL A 89 22.570 2.445 -4.551 1.00 0.00 C ATOM 1409 CG2 VAL A 89 20.839 4.212 -4.763 1.00 0.00 C ATOM 0 H VAL A 89 21.554 4.207 -8.205 1.00 0.00 H new ATOM 0 HA VAL A 89 23.262 4.862 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 89 21.277 2.655 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 89 21.858 1.883 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.219 1.752 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.174 3.080 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.213 3.590 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.408 4.908 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.208 4.771 -5.454 1.00 0.00 H new