USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 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+ 178:sc= 2.2 (180deg=0.737) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.291 K(o=1.9,f=-7.5!) USER MOD Set 2.1: A 43 ASN : amide:sc= -3.81! C(o=-3!,f=-4.6!) USER MOD Set 2.2: A 59 SER OG : rot 78:sc= 1.39 USER MOD Set 2.3: A 73 CYS SG : rot 113:sc= -0.606 USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= 1.22 F(o=1.4,f=1.9) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.714 K(o=1.9,f=-6.8!) USER MOD Set 4.1: A 14 ASN : amide:sc= 1.15 K(o=3.3,f=0.96) USER MOD Set 4.2: A 18 THR OG1 : rot -79:sc= 2.14 USER MOD Set 5.1: A 7 SER OG : rot 11:sc= 0.939 USER MOD Set 5.2: A 23 CYS SG : rot -79:sc= -4.98! USER MOD Single : A 1 MET CE :methyl 159:sc= -0.0877 (180deg=-0.616) USER MOD Single : A 2 SER OG : rot -114:sc= -0.408 USER MOD Single : A 3 TYR OH : rot -130:sc= -0.0836 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 1.01 K(o=1,f=-1) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 25 ASN : amide:sc= -2.36! C(o=-2.4!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 164:sc= 1.08 USER MOD Single : A 39 THR OG1 : rot -38:sc= 0.392 USER MOD Single : A 40 CYS SG : rot -138:sc= 0.359 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 52 MET CE :methyl 180:sc= -0.0309 (180deg=-0.0309) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -105:sc= -0.432 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.913) USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.18) USER MOD Single : A 72 THR OG1 : rot 29:sc= 0.654 USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.03 (180deg=0.357) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00245 USER MOD Single : A 86 GLN :FLIP amide:sc= -2.31 F(o=-5.7!,f=-2.3) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.523 F(o=-1.2!,f=-0.52) USER MOD Single : A 95 ASN : amide:sc= -2.31 K(o=-2.3,f=-7!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.799 13.808 -1.957 1.00 0.00 N ATOM 2 CA MET A 1 0.670 13.646 -2.047 1.00 0.00 C ATOM 3 C MET A 1 1.118 12.506 -1.146 1.00 0.00 C ATOM 4 O MET A 1 0.714 12.426 0.014 1.00 0.00 O ATOM 5 CB MET A 1 1.386 14.944 -1.654 1.00 0.00 C ATOM 6 CG MET A 1 1.144 16.104 -2.612 1.00 0.00 C ATOM 7 SD MET A 1 -0.557 16.715 -2.578 1.00 0.00 S ATOM 8 CE MET A 1 -0.664 17.342 -0.902 1.00 0.00 C ATOM 0 H1 MET A 1 -1.097 14.610 -2.548 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.265 12.940 -2.291 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.069 13.988 -0.969 1.00 0.00 H new ATOM 0 HA MET A 1 0.932 13.412 -3.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.061 15.238 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.457 14.752 -1.597 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.821 16.921 -2.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.389 15.786 -3.626 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.478 18.064 -0.835 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.853 16.516 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.274 17.828 -0.635 1.00 0.00 H new ATOM 16 N SER A 2 1.930 11.613 -1.685 1.00 0.00 N ATOM 17 CA SER A 2 2.415 10.476 -0.926 1.00 0.00 C ATOM 18 C SER A 2 3.930 10.485 -0.824 1.00 0.00 C ATOM 19 O SER A 2 4.593 11.375 -1.353 1.00 0.00 O ATOM 20 CB SER A 2 1.948 9.165 -1.556 1.00 0.00 C ATOM 21 OG SER A 2 0.537 9.120 -1.664 1.00 0.00 O ATOM 0 H SER A 2 2.267 11.655 -2.647 1.00 0.00 H new ATOM 0 HA SER A 2 2.001 10.555 0.079 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.394 9.055 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.296 8.326 -0.954 1.00 0.00 H new ATOM 0 HG SER A 2 0.186 8.419 -1.076 1.00 0.00 H new ATOM 26 N TYR A 3 4.471 9.495 -0.135 1.00 0.00 N ATOM 27 CA TYR A 3 5.913 9.350 0.013 1.00 0.00 C ATOM 28 C TYR A 3 6.595 9.332 -1.360 1.00 0.00 C ATOM 29 O TYR A 3 7.707 9.831 -1.523 1.00 0.00 O ATOM 30 CB TYR A 3 6.227 8.053 0.766 1.00 0.00 C ATOM 31 CG TYR A 3 5.834 6.793 0.015 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.498 6.455 -0.173 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.802 5.952 -0.517 1.00 0.00 C ATOM 34 CE1 TYR A 3 4.141 5.318 -0.867 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.452 4.812 -1.214 1.00 0.00 C ATOM 36 CZ TYR A 3 5.120 4.500 -1.388 1.00 0.00 C ATOM 37 OH TYR A 3 4.764 3.368 -2.084 1.00 0.00 O ATOM 0 H TYR A 3 3.928 8.771 0.336 1.00 0.00 H new ATOM 0 HA TYR A 3 6.294 10.200 0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.295 8.018 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.710 8.068 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.727 7.094 0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.846 6.193 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.099 5.070 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.218 4.168 -1.621 1.00 0.00 H new ATOM 0 HH TYR A 3 5.262 2.599 -1.736 1.00 0.00 H new ATOM 46 N ALA A 4 5.883 8.782 -2.346 1.00 0.00 N ATOM 47 CA ALA A 4 6.375 8.657 -3.717 1.00 0.00 C ATOM 48 C ALA A 4 6.765 10.007 -4.324 1.00 0.00 C ATOM 49 O ALA A 4 7.503 10.061 -5.307 1.00 0.00 O ATOM 50 CB ALA A 4 5.323 7.974 -4.579 1.00 0.00 C ATOM 0 H ALA A 4 4.943 8.409 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 4 7.280 8.050 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.693 7.882 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.113 6.982 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.409 8.568 -4.576 1.00 0.00 H new ATOM 56 N ASP A 5 6.268 11.093 -3.740 1.00 0.00 N ATOM 57 CA ASP A 5 6.570 12.431 -4.217 1.00 0.00 C ATOM 58 C ASP A 5 8.034 12.789 -3.948 1.00 0.00 C ATOM 59 O ASP A 5 8.577 13.731 -4.530 1.00 0.00 O ATOM 60 CB ASP A 5 5.625 13.432 -3.553 1.00 0.00 C ATOM 61 CG ASP A 5 4.223 13.376 -4.135 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.466 12.436 -3.804 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.870 14.266 -4.935 1.00 0.00 O ATOM 0 H ASP A 5 5.650 11.068 -2.929 1.00 0.00 H new ATOM 0 HA ASP A 5 6.421 12.468 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.580 13.231 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.025 14.439 -3.671 1.00 0.00 H new ATOM 67 N SER A 6 8.658 12.035 -3.054 1.00 0.00 N ATOM 68 CA SER A 6 10.060 12.214 -2.712 1.00 0.00 C ATOM 69 C SER A 6 10.674 10.844 -2.443 1.00 0.00 C ATOM 70 O SER A 6 11.506 10.671 -1.550 1.00 0.00 O ATOM 71 CB SER A 6 10.209 13.126 -1.493 1.00 0.00 C ATOM 72 OG SER A 6 9.758 14.437 -1.785 1.00 0.00 O ATOM 0 H SER A 6 8.203 11.278 -2.544 1.00 0.00 H new ATOM 0 HA SER A 6 10.582 12.692 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.640 12.719 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.253 13.157 -1.182 1.00 0.00 H new ATOM 0 HG SER A 6 9.861 15.003 -0.991 1.00 0.00 H new ATOM 77 N SER A 7 10.232 9.867 -3.225 1.00 0.00 N ATOM 78 CA SER A 7 10.700 8.502 -3.098 1.00 0.00 C ATOM 79 C SER A 7 10.629 7.807 -4.452 1.00 0.00 C ATOM 80 O SER A 7 9.880 8.229 -5.335 1.00 0.00 O ATOM 81 CB SER A 7 9.844 7.752 -2.066 1.00 0.00 C ATOM 82 OG SER A 7 10.354 6.458 -1.802 1.00 0.00 O ATOM 0 H SER A 7 9.540 10.003 -3.962 1.00 0.00 H new ATOM 0 HA SER A 7 11.736 8.504 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.807 8.324 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.820 7.672 -2.432 1.00 0.00 H new ATOM 0 HG SER A 7 11.242 6.368 -2.206 1.00 0.00 H new ATOM 87 N ARG A 8 11.419 6.764 -4.624 1.00 0.00 N ATOM 88 CA ARG A 8 11.431 6.019 -5.871 1.00 0.00 C ATOM 89 C ARG A 8 11.658 4.542 -5.591 1.00 0.00 C ATOM 90 O ARG A 8 12.024 4.172 -4.473 1.00 0.00 O ATOM 91 CB ARG A 8 12.523 6.544 -6.807 1.00 0.00 C ATOM 92 CG ARG A 8 13.935 6.343 -6.278 1.00 0.00 C ATOM 93 CD ARG A 8 14.977 6.727 -7.317 1.00 0.00 C ATOM 94 NE ARG A 8 14.820 5.970 -8.559 1.00 0.00 N ATOM 95 CZ ARG A 8 15.771 5.211 -9.099 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.951 5.087 -8.500 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.542 4.574 -10.242 1.00 0.00 N ATOM 0 H ARG A 8 12.062 6.412 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 8 10.465 6.150 -6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.432 6.045 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.358 7.607 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.077 6.943 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.073 5.301 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.900 7.793 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.974 6.554 -6.911 1.00 0.00 H new ATOM 0 HE ARG A 8 13.924 6.028 -9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.131 5.575 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.676 4.504 -8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.638 4.667 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.270 3.992 -10.656 1.00 0.00 H new ATOM 108 N ASN A 9 11.432 3.714 -6.610 1.00 0.00 N ATOM 109 CA ASN A 9 11.616 2.266 -6.502 1.00 0.00 C ATOM 110 C ASN A 9 10.712 1.675 -5.429 1.00 0.00 C ATOM 111 O ASN A 9 11.163 0.936 -4.554 1.00 0.00 O ATOM 112 CB ASN A 9 13.084 1.924 -6.218 1.00 0.00 C ATOM 113 CG ASN A 9 13.965 2.100 -7.440 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.538 1.855 -8.571 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.190 2.550 -7.233 1.00 0.00 N ATOM 0 H ASN A 9 11.118 4.025 -7.529 1.00 0.00 H new ATOM 0 HA ASN A 9 11.338 1.823 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.453 2.559 -5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.153 0.894 -5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.816 2.706 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.509 2.742 -6.283 1.00 0.00 H new ATOM 121 N ALA A 10 9.433 2.014 -5.505 1.00 0.00 N ATOM 122 CA ALA A 10 8.455 1.518 -4.549 1.00 0.00 C ATOM 123 C ALA A 10 7.942 0.148 -4.974 1.00 0.00 C ATOM 124 O ALA A 10 7.327 0.004 -6.033 1.00 0.00 O ATOM 125 CB ALA A 10 7.303 2.501 -4.414 1.00 0.00 C ATOM 0 H ALA A 10 9.048 2.631 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 10 8.939 1.417 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.579 2.117 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.683 3.462 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.820 2.630 -5.382 1.00 0.00 H new ATOM 131 N VAL A 11 8.196 -0.849 -4.145 1.00 0.00 N ATOM 132 CA VAL A 11 7.768 -2.210 -4.431 1.00 0.00 C ATOM 133 C VAL A 11 6.881 -2.747 -3.315 1.00 0.00 C ATOM 134 O VAL A 11 6.780 -2.147 -2.241 1.00 0.00 O ATOM 135 CB VAL A 11 8.975 -3.156 -4.621 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.808 -2.729 -5.820 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.831 -3.207 -3.365 1.00 0.00 C ATOM 0 H VAL A 11 8.699 -0.742 -3.264 1.00 0.00 H new ATOM 0 HA VAL A 11 7.200 -2.176 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 11 8.591 -4.159 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.653 -3.408 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.193 -2.758 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.176 -1.715 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.673 -3.880 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.203 -2.208 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.231 -3.570 -2.530 1.00 0.00 H new ATOM 147 N LEU A 12 6.249 -3.883 -3.576 1.00 0.00 N ATOM 148 CA LEU A 12 5.370 -4.517 -2.607 1.00 0.00 C ATOM 149 C LEU A 12 6.063 -5.721 -2.001 1.00 0.00 C ATOM 150 O LEU A 12 6.362 -6.691 -2.696 1.00 0.00 O ATOM 151 CB LEU A 12 4.055 -4.976 -3.262 1.00 0.00 C ATOM 152 CG LEU A 12 3.087 -3.872 -3.700 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.853 -2.896 -2.560 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.595 -3.154 -4.945 1.00 0.00 C ATOM 0 H LEU A 12 6.331 -4.387 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 12 5.138 -3.784 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.302 -5.580 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.534 -5.628 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 12 2.134 -4.334 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.164 -2.116 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.427 -3.426 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.801 -2.444 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.887 -2.376 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.564 -2.702 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.698 -3.869 -5.761 1.00 0.00 H new ATOM 165 N THR A 13 6.327 -5.658 -0.713 1.00 0.00 N ATOM 166 CA THR A 13 6.989 -6.752 -0.032 1.00 0.00 C ATOM 167 C THR A 13 6.033 -7.462 0.919 1.00 0.00 C ATOM 168 O THR A 13 4.930 -6.966 1.199 1.00 0.00 O ATOM 169 CB THR A 13 8.226 -6.263 0.745 1.00 0.00 C ATOM 170 OG1 THR A 13 7.876 -5.149 1.574 1.00 0.00 O ATOM 171 CG2 THR A 13 9.343 -5.864 -0.209 1.00 0.00 C ATOM 0 H THR A 13 6.094 -4.863 -0.117 1.00 0.00 H new ATOM 0 HA THR A 13 7.316 -7.457 -0.797 1.00 0.00 H new ATOM 0 HB THR A 13 8.581 -7.082 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.668 -4.845 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.205 -5.522 0.363 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.628 -6.724 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.997 -5.060 -0.859 1.00 0.00 H new ATOM 179 N ASN A 14 6.458 -8.632 1.391 1.00 0.00 N ATOM 180 CA ASN A 14 5.672 -9.434 2.321 1.00 0.00 C ATOM 181 C ASN A 14 4.327 -9.817 1.714 1.00 0.00 C ATOM 182 O ASN A 14 3.282 -9.672 2.346 1.00 0.00 O ATOM 183 CB ASN A 14 5.475 -8.669 3.632 1.00 0.00 C ATOM 184 CG ASN A 14 6.774 -8.489 4.398 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.665 -9.339 4.346 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.901 -7.377 5.095 1.00 0.00 N ATOM 0 H ASN A 14 7.355 -9.048 1.139 1.00 0.00 H new ATOM 0 HA ASN A 14 6.216 -10.355 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.044 -7.691 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.759 -9.203 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.759 -7.197 5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.141 -6.697 5.114 1.00 0.00 H new ATOM 192 N GLY A 15 4.362 -10.285 0.472 1.00 0.00 N ATOM 193 CA GLY A 15 3.146 -10.684 -0.212 1.00 0.00 C ATOM 194 C GLY A 15 2.456 -9.517 -0.888 1.00 0.00 C ATOM 195 O GLY A 15 1.828 -9.673 -1.936 1.00 0.00 O ATOM 0 H GLY A 15 5.215 -10.396 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.384 -11.444 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.463 -11.142 0.504 1.00 0.00 H new ATOM 199 N GLY A 16 2.586 -8.345 -0.296 1.00 0.00 N ATOM 200 CA GLY A 16 1.960 -7.163 -0.836 1.00 0.00 C ATOM 201 C GLY A 16 1.249 -6.386 0.243 1.00 0.00 C ATOM 202 O GLY A 16 0.051 -6.126 0.153 1.00 0.00 O ATOM 0 H GLY A 16 3.120 -8.191 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.713 -6.532 -1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.250 -7.446 -1.613 1.00 0.00 H new ATOM 206 N ARG A 17 1.983 -6.044 1.287 1.00 0.00 N ATOM 207 CA ARG A 17 1.414 -5.300 2.397 1.00 0.00 C ATOM 208 C ARG A 17 2.366 -4.213 2.874 1.00 0.00 C ATOM 209 O ARG A 17 1.937 -3.153 3.332 1.00 0.00 O ATOM 210 CB ARG A 17 1.079 -6.247 3.544 1.00 0.00 C ATOM 211 CG ARG A 17 2.264 -7.049 4.048 1.00 0.00 C ATOM 212 CD ARG A 17 1.859 -7.986 5.171 1.00 0.00 C ATOM 213 NE ARG A 17 3.019 -8.545 5.857 1.00 0.00 N ATOM 214 CZ ARG A 17 3.607 -7.975 6.908 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.104 -6.867 7.444 1.00 0.00 N ATOM 216 NH2 ARG A 17 4.688 -8.530 7.441 1.00 0.00 N ATOM 0 H ARG A 17 2.973 -6.269 1.390 1.00 0.00 H new ATOM 0 HA ARG A 17 0.499 -4.819 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.667 -5.668 4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.300 -6.936 3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.691 -7.625 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.041 -6.371 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.238 -7.448 5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.251 -8.795 4.767 1.00 0.00 H new ATOM 0 HE ARG A 17 3.403 -9.425 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.262 -6.447 7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.560 -6.437 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.067 -9.391 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.140 -8.096 8.246 1.00 0.00 H new ATOM 227 N THR A 18 3.655 -4.484 2.772 1.00 0.00 N ATOM 228 CA THR A 18 4.658 -3.532 3.190 1.00 0.00 C ATOM 229 C THR A 18 5.195 -2.762 1.990 1.00 0.00 C ATOM 230 O THR A 18 5.519 -3.349 0.954 1.00 0.00 O ATOM 231 CB THR A 18 5.816 -4.252 3.896 1.00 0.00 C ATOM 232 OG1 THR A 18 5.287 -5.239 4.795 1.00 0.00 O ATOM 233 CG2 THR A 18 6.682 -3.267 4.665 1.00 0.00 C ATOM 0 H THR A 18 4.028 -5.358 2.402 1.00 0.00 H new ATOM 0 HA THR A 18 4.194 -2.832 3.884 1.00 0.00 H new ATOM 0 HB THR A 18 6.437 -4.734 3.141 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.989 -4.803 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.495 -3.803 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.096 -2.532 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.077 -2.759 5.416 1.00 0.00 H new ATOM 241 N LEU A 19 5.262 -1.452 2.129 1.00 0.00 N ATOM 242 CA LEU A 19 5.771 -0.595 1.070 1.00 0.00 C ATOM 243 C LEU A 19 7.255 -0.365 1.253 1.00 0.00 C ATOM 244 O LEU A 19 7.666 0.261 2.226 1.00 0.00 O ATOM 245 CB LEU A 19 5.066 0.764 1.074 1.00 0.00 C ATOM 246 CG LEU A 19 3.596 0.754 0.673 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.037 2.168 0.706 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.426 0.147 -0.710 1.00 0.00 C ATOM 0 H LEU A 19 4.969 -0.953 2.969 1.00 0.00 H new ATOM 0 HA LEU A 19 5.581 -1.097 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.147 1.190 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.602 1.431 0.399 1.00 0.00 H new ATOM 0 HG LEU A 19 3.043 0.142 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.986 2.151 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.130 2.573 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.594 2.796 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.370 0.148 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.987 0.735 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.799 -0.877 -0.706 1.00 0.00 H new ATOM 259 N ARG A 20 8.058 -0.878 0.340 1.00 0.00 N ATOM 260 CA ARG A 20 9.492 -0.682 0.425 1.00 0.00 C ATOM 261 C ARG A 20 9.942 0.215 -0.715 1.00 0.00 C ATOM 262 O ARG A 20 9.730 -0.107 -1.883 1.00 0.00 O ATOM 263 CB ARG A 20 10.238 -2.016 0.377 1.00 0.00 C ATOM 264 CG ARG A 20 11.700 -1.888 0.771 1.00 0.00 C ATOM 265 CD ARG A 20 12.386 -3.238 0.872 1.00 0.00 C ATOM 266 NE ARG A 20 12.631 -3.834 -0.436 1.00 0.00 N ATOM 267 CZ ARG A 20 12.941 -5.114 -0.621 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.009 -5.942 0.416 1.00 0.00 N ATOM 269 NH2 ARG A 20 13.191 -5.566 -1.844 1.00 0.00 N ATOM 0 H ARG A 20 7.746 -1.428 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 20 9.725 -0.209 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.748 -2.725 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.173 -2.428 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.220 -1.272 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.773 -1.373 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.333 -3.123 1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.770 -3.913 1.466 1.00 0.00 H new ATOM 0 HE ARG A 20 12.560 -3.234 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.823 -5.596 1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.247 -6.923 0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.145 -4.932 -2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.429 -6.548 -1.986 1.00 0.00 H new ATOM 280 N ALA A 21 10.542 1.344 -0.375 1.00 0.00 N ATOM 281 CA ALA A 21 11.001 2.287 -1.377 1.00 0.00 C ATOM 282 C ALA A 21 12.164 3.109 -0.851 1.00 0.00 C ATOM 283 O ALA A 21 12.453 3.097 0.348 1.00 0.00 O ATOM 284 CB ALA A 21 9.859 3.202 -1.792 1.00 0.00 C ATOM 0 H ALA A 21 10.722 1.628 0.588 1.00 0.00 H new ATOM 0 HA ALA A 21 11.344 1.726 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.213 3.907 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.047 2.605 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.498 3.751 -0.922 1.00 0.00 H new ATOM 290 N GLU A 22 12.830 3.817 -1.751 1.00 0.00 N ATOM 291 CA GLU A 22 13.941 4.671 -1.376 1.00 0.00 C ATOM 292 C GLU A 22 13.392 6.048 -1.072 1.00 0.00 C ATOM 293 O GLU A 22 12.986 6.771 -1.981 1.00 0.00 O ATOM 294 CB GLU A 22 14.971 4.760 -2.505 1.00 0.00 C ATOM 295 CG GLU A 22 15.475 3.408 -2.969 1.00 0.00 C ATOM 296 CD GLU A 22 16.560 3.526 -4.012 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.261 3.957 -5.141 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.719 3.181 -3.711 1.00 0.00 O ATOM 0 H GLU A 22 12.617 3.815 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 22 14.442 4.254 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.527 5.284 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.817 5.359 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.857 2.852 -2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.643 2.834 -3.377 1.00 0.00 H new ATOM 303 N CYS A 23 13.342 6.395 0.199 1.00 0.00 N ATOM 304 CA CYS A 23 12.813 7.680 0.608 1.00 0.00 C ATOM 305 C CYS A 23 13.934 8.691 0.726 1.00 0.00 C ATOM 306 O CYS A 23 14.973 8.409 1.321 1.00 0.00 O ATOM 307 CB CYS A 23 12.084 7.541 1.941 1.00 0.00 C ATOM 308 SG CYS A 23 10.792 6.280 1.933 1.00 0.00 S ATOM 0 H CYS A 23 13.662 5.804 0.967 1.00 0.00 H new ATOM 0 HA CYS A 23 12.107 8.029 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.809 7.301 2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.641 8.501 2.205 1.00 0.00 H new ATOM 0 HG CYS A 23 9.727 6.753 1.357 1.00 0.00 H new ATOM 313 N ARG A 24 13.751 9.849 0.122 1.00 0.00 N ATOM 314 CA ARG A 24 14.748 10.881 0.188 1.00 0.00 C ATOM 315 C ARG A 24 14.685 11.587 1.530 1.00 0.00 C ATOM 316 O ARG A 24 13.651 12.149 1.898 1.00 0.00 O ATOM 317 CB ARG A 24 14.523 11.872 -0.937 1.00 0.00 C ATOM 318 CG ARG A 24 15.794 12.547 -1.383 1.00 0.00 C ATOM 319 CD ARG A 24 15.537 13.429 -2.578 1.00 0.00 C ATOM 320 NE ARG A 24 14.986 14.723 -2.190 1.00 0.00 N ATOM 321 CZ ARG A 24 15.704 15.841 -2.095 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.002 15.835 -2.380 1.00 0.00 N ATOM 323 NH2 ARG A 24 15.117 16.967 -1.714 1.00 0.00 N ATOM 0 H ARG A 24 12.920 10.092 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 24 15.736 10.433 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.074 11.356 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.810 12.629 -0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.202 13.142 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.542 11.795 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.468 13.580 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.846 12.929 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 24 13.990 14.775 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.456 14.970 -2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.545 16.695 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.121 16.974 -1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.662 17.826 -1.639 1.00 0.00 H new ATOM 334 N ASN A 25 15.777 11.539 2.272 1.00 0.00 N ATOM 335 CA ASN A 25 15.823 12.193 3.568 1.00 0.00 C ATOM 336 C ASN A 25 16.191 13.658 3.382 1.00 0.00 C ATOM 337 O ASN A 25 16.705 14.040 2.327 1.00 0.00 O ATOM 338 CB ASN A 25 16.792 11.484 4.534 1.00 0.00 C ATOM 339 CG ASN A 25 18.252 11.512 4.105 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.711 12.440 3.453 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.997 10.486 4.479 1.00 0.00 N ATOM 0 H ASN A 25 16.636 11.059 2.003 1.00 0.00 H new ATOM 0 HA ASN A 25 14.835 12.131 4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.707 11.947 5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.479 10.446 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.984 10.453 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.585 9.728 5.022 1.00 0.00 H new ATOM 347 N ALA A 26 15.944 14.459 4.413 1.00 0.00 N ATOM 348 CA ALA A 26 16.207 15.898 4.374 1.00 0.00 C ATOM 349 C ALA A 26 17.680 16.221 4.127 1.00 0.00 C ATOM 350 O ALA A 26 18.026 17.354 3.785 1.00 0.00 O ATOM 351 CB ALA A 26 15.738 16.538 5.666 1.00 0.00 C ATOM 0 H ALA A 26 15.557 14.133 5.298 1.00 0.00 H new ATOM 0 HA ALA A 26 15.650 16.309 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.935 17.610 5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.668 16.370 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.273 16.096 6.506 1.00 0.00 H new ATOM 357 N ASP A 27 18.544 15.231 4.297 1.00 0.00 N ATOM 358 CA ASP A 27 19.972 15.416 4.073 1.00 0.00 C ATOM 359 C ASP A 27 20.269 15.288 2.582 1.00 0.00 C ATOM 360 O ASP A 27 21.357 15.611 2.108 1.00 0.00 O ATOM 361 CB ASP A 27 20.770 14.380 4.873 1.00 0.00 C ATOM 362 CG ASP A 27 22.257 14.673 4.908 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.679 15.516 5.729 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.015 14.046 4.135 1.00 0.00 O ATOM 0 H ASP A 27 18.282 14.290 4.590 1.00 0.00 H new ATOM 0 HA ASP A 27 20.268 16.409 4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.388 14.345 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.610 13.393 4.439 1.00 0.00 H new ATOM 368 N GLY A 28 19.260 14.837 1.844 1.00 0.00 N ATOM 369 CA GLY A 28 19.389 14.658 0.414 1.00 0.00 C ATOM 370 C GLY A 28 19.942 13.294 0.069 1.00 0.00 C ATOM 371 O GLY A 28 20.704 13.150 -0.884 1.00 0.00 O ATOM 0 H GLY A 28 18.344 14.590 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.415 14.786 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.044 15.429 0.008 1.00 0.00 H new ATOM 375 N ASN A 29 19.568 12.289 0.850 1.00 0.00 N ATOM 376 CA ASN A 29 20.054 10.931 0.619 1.00 0.00 C ATOM 377 C ASN A 29 18.901 9.951 0.456 1.00 0.00 C ATOM 378 O ASN A 29 17.778 10.225 0.878 1.00 0.00 O ATOM 379 CB ASN A 29 20.927 10.481 1.788 1.00 0.00 C ATOM 380 CG ASN A 29 21.900 9.384 1.398 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.263 9.246 0.228 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.339 8.606 2.373 1.00 0.00 N ATOM 0 H ASN A 29 18.935 12.385 1.644 1.00 0.00 H new ATOM 0 HA ASN A 29 20.638 10.941 -0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.483 11.336 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.290 10.126 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.003 7.859 2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.014 8.753 3.329 1.00 0.00 H new ATOM 388 N TRP A 30 19.191 8.806 -0.144 1.00 0.00 N ATOM 389 CA TRP A 30 18.187 7.774 -0.358 1.00 0.00 C ATOM 390 C TRP A 30 18.290 6.695 0.707 1.00 0.00 C ATOM 391 O TRP A 30 19.332 6.053 0.852 1.00 0.00 O ATOM 392 CB TRP A 30 18.347 7.125 -1.733 1.00 0.00 C ATOM 393 CG TRP A 30 18.018 8.028 -2.878 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.880 8.496 -3.826 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.733 8.570 -3.199 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.204 9.286 -4.722 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.889 9.353 -4.355 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.468 8.470 -2.622 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.826 10.027 -4.945 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.413 9.142 -3.208 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.598 9.913 -4.358 1.00 0.00 C ATOM 0 H TRP A 30 20.119 8.567 -0.493 1.00 0.00 H new ATOM 0 HA TRP A 30 17.211 8.256 -0.300 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.375 6.779 -1.842 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.707 6.244 -1.784 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.937 8.277 -3.866 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.617 9.749 -5.532 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.315 7.877 -1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.966 10.620 -5.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.429 9.070 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.754 10.429 -4.791 1.00 0.00 H new ATOM 411 N VAL A 31 17.215 6.505 1.449 1.00 0.00 N ATOM 412 CA VAL A 31 17.173 5.489 2.489 1.00 0.00 C ATOM 413 C VAL A 31 16.006 4.540 2.260 1.00 0.00 C ATOM 414 O VAL A 31 14.907 4.969 1.911 1.00 0.00 O ATOM 415 CB VAL A 31 17.065 6.105 3.899 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.408 6.658 4.348 1.00 0.00 C ATOM 417 CG2 VAL A 31 16.007 7.196 3.943 1.00 0.00 C ATOM 0 H VAL A 31 16.354 7.043 1.351 1.00 0.00 H new ATOM 0 HA VAL A 31 18.112 4.938 2.433 1.00 0.00 H new ATOM 0 HB VAL A 31 16.766 5.312 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.310 7.088 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.143 5.854 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.735 7.429 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.954 7.611 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.269 7.985 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.039 6.775 3.673 1.00 0.00 H new ATOM 427 N THR A 32 16.249 3.249 2.424 1.00 0.00 N ATOM 428 CA THR A 32 15.206 2.262 2.237 1.00 0.00 C ATOM 429 C THR A 32 14.292 2.226 3.458 1.00 0.00 C ATOM 430 O THR A 32 14.684 1.757 4.531 1.00 0.00 O ATOM 431 CB THR A 32 15.803 0.862 1.986 1.00 0.00 C ATOM 432 OG1 THR A 32 16.705 0.912 0.870 1.00 0.00 O ATOM 433 CG2 THR A 32 14.707 -0.158 1.712 1.00 0.00 C ATOM 0 H THR A 32 17.157 2.865 2.685 1.00 0.00 H new ATOM 0 HA THR A 32 14.625 2.547 1.360 1.00 0.00 H new ATOM 0 HB THR A 32 16.343 0.555 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.083 0.021 0.715 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.155 -1.136 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.038 -0.213 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.142 0.143 0.830 1.00 0.00 H new ATOM 441 N SER A 33 13.080 2.722 3.284 1.00 0.00 N ATOM 442 CA SER A 33 12.107 2.764 4.358 1.00 0.00 C ATOM 443 C SER A 33 10.876 1.949 3.990 1.00 0.00 C ATOM 444 O SER A 33 10.464 1.924 2.827 1.00 0.00 O ATOM 445 CB SER A 33 11.722 4.213 4.659 1.00 0.00 C ATOM 446 OG SER A 33 12.850 4.952 5.104 1.00 0.00 O ATOM 0 H SER A 33 12.745 3.104 2.400 1.00 0.00 H new ATOM 0 HA SER A 33 12.551 2.328 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.307 4.677 3.764 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.943 4.236 5.421 1.00 0.00 H new ATOM 0 HG SER A 33 12.659 5.911 5.039 1.00 0.00 H new ATOM 451 N GLU A 34 10.310 1.262 4.974 1.00 0.00 N ATOM 452 CA GLU A 34 9.135 0.440 4.749 1.00 0.00 C ATOM 453 C GLU A 34 8.031 0.767 5.745 1.00 0.00 C ATOM 454 O GLU A 34 8.298 1.231 6.858 1.00 0.00 O ATOM 455 CB GLU A 34 9.493 -1.043 4.862 1.00 0.00 C ATOM 456 CG GLU A 34 10.683 -1.443 4.012 1.00 0.00 C ATOM 457 CD GLU A 34 11.869 -1.871 4.843 1.00 0.00 C ATOM 458 OE1 GLU A 34 12.224 -1.147 5.797 1.00 0.00 O ATOM 459 OE2 GLU A 34 12.450 -2.933 4.550 1.00 0.00 O ATOM 0 H GLU A 34 10.649 1.260 5.936 1.00 0.00 H new ATOM 0 HA GLU A 34 8.773 0.654 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.705 -1.279 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.630 -1.641 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.394 -2.259 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.971 -0.604 3.378 1.00 0.00 H new ATOM 464 N LEU A 35 6.799 0.534 5.324 1.00 0.00 N ATOM 465 CA LEU A 35 5.629 0.756 6.161 1.00 0.00 C ATOM 466 C LEU A 35 4.615 -0.340 5.852 1.00 0.00 C ATOM 467 O LEU A 35 4.283 -0.571 4.688 1.00 0.00 O ATOM 468 CB LEU A 35 5.024 2.146 5.895 1.00 0.00 C ATOM 469 CG LEU A 35 4.202 2.767 7.043 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.908 2.004 7.276 1.00 0.00 C ATOM 471 CD2 LEU A 35 5.027 2.815 8.322 1.00 0.00 C ATOM 0 H LEU A 35 6.580 0.185 4.391 1.00 0.00 H new ATOM 0 HA LEU A 35 5.911 0.721 7.213 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.836 2.830 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.384 2.078 5.015 1.00 0.00 H new ATOM 0 HG LEU A 35 3.941 3.785 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.354 2.468 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.305 2.025 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.137 0.970 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.432 3.256 9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.321 1.804 8.603 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.919 3.420 8.157 1.00 0.00 H new ATOM 482 N ASP A 36 4.152 -1.029 6.881 1.00 0.00 N ATOM 483 CA ASP A 36 3.181 -2.103 6.699 1.00 0.00 C ATOM 484 C ASP A 36 1.773 -1.525 6.717 1.00 0.00 C ATOM 485 O ASP A 36 1.289 -1.084 7.759 1.00 0.00 O ATOM 486 CB ASP A 36 3.319 -3.155 7.809 1.00 0.00 C ATOM 487 CG ASP A 36 4.743 -3.643 8.000 1.00 0.00 C ATOM 488 OD1 ASP A 36 5.163 -4.575 7.287 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.450 -3.098 8.875 1.00 0.00 O ATOM 0 H ASP A 36 4.429 -0.867 7.849 1.00 0.00 H new ATOM 0 HA ASP A 36 3.371 -2.584 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.958 -2.733 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.679 -4.006 7.575 1.00 0.00 H new ATOM 493 N LEU A 37 1.116 -1.517 5.565 1.00 0.00 N ATOM 494 CA LEU A 37 -0.234 -0.967 5.470 1.00 0.00 C ATOM 495 C LEU A 37 -1.306 -2.002 5.804 1.00 0.00 C ATOM 496 O LEU A 37 -2.455 -1.641 6.029 1.00 0.00 O ATOM 497 CB LEU A 37 -0.507 -0.424 4.066 1.00 0.00 C ATOM 498 CG LEU A 37 0.716 0.031 3.277 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.308 0.411 1.865 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.398 1.198 3.966 1.00 0.00 C ATOM 0 H LEU A 37 1.490 -1.881 4.689 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.284 -0.160 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.018 -1.197 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.194 0.418 4.151 1.00 0.00 H new ATOM 0 HG LEU A 37 1.427 -0.794 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.187 0.735 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.138 -0.452 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.418 1.223 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.268 1.506 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.701 2.032 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.716 0.896 4.964 1.00 0.00 H new ATOM 511 N ASP A 38 -0.945 -3.280 5.854 1.00 0.00 N ATOM 512 CA ASP A 38 -1.930 -4.333 6.133 1.00 0.00 C ATOM 513 C ASP A 38 -2.508 -4.213 7.535 1.00 0.00 C ATOM 514 O ASP A 38 -3.541 -4.800 7.835 1.00 0.00 O ATOM 515 CB ASP A 38 -1.335 -5.729 5.942 1.00 0.00 C ATOM 516 CG ASP A 38 -0.249 -6.058 6.947 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.839 -5.449 6.873 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.471 -6.948 7.792 1.00 0.00 O ATOM 0 H ASP A 38 0.007 -3.614 5.708 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.737 -4.194 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.131 -6.470 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.925 -5.808 4.935 1.00 0.00 H new ATOM 522 N THR A 39 -1.851 -3.450 8.389 1.00 0.00 N ATOM 523 CA THR A 39 -2.327 -3.258 9.746 1.00 0.00 C ATOM 524 C THR A 39 -3.242 -2.031 9.812 1.00 0.00 C ATOM 525 O THR A 39 -3.758 -1.677 10.875 1.00 0.00 O ATOM 526 CB THR A 39 -1.145 -3.115 10.738 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.614 -3.117 12.095 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.352 -1.843 10.478 1.00 0.00 C ATOM 0 H THR A 39 -0.988 -2.954 8.167 1.00 0.00 H new ATOM 0 HA THR A 39 -2.899 -4.139 10.038 1.00 0.00 H new ATOM 0 HB THR A 39 -0.489 -3.972 10.583 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.455 -2.617 12.151 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.469 -1.774 11.191 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.048 -1.865 9.464 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.005 -0.978 10.592 1.00 0.00 H new ATOM 536 N CYS A 40 -3.446 -1.393 8.662 1.00 0.00 N ATOM 537 CA CYS A 40 -4.287 -0.203 8.585 1.00 0.00 C ATOM 538 C CYS A 40 -5.314 -0.305 7.453 1.00 0.00 C ATOM 539 O CYS A 40 -6.315 0.413 7.448 1.00 0.00 O ATOM 540 CB CYS A 40 -3.409 1.029 8.371 1.00 0.00 C ATOM 541 SG CYS A 40 -2.001 1.133 9.500 1.00 0.00 S ATOM 0 H CYS A 40 -3.040 -1.681 7.771 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.833 -0.117 9.524 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.040 1.026 7.345 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.021 1.923 8.487 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.861 2.359 9.908 1.00 0.00 H new ATOM 546 N ILE A 41 -5.060 -1.190 6.497 1.00 0.00 N ATOM 547 CA ILE A 41 -5.951 -1.372 5.358 1.00 0.00 C ATOM 548 C ILE A 41 -6.623 -2.743 5.391 1.00 0.00 C ATOM 549 O ILE A 41 -5.989 -3.750 5.716 1.00 0.00 O ATOM 550 CB ILE A 41 -5.186 -1.227 4.022 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.515 0.141 3.925 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.122 -1.443 2.842 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.716 0.334 2.653 1.00 0.00 C ATOM 0 H ILE A 41 -4.240 -1.796 6.488 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.713 -0.595 5.428 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.410 -1.992 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.279 0.916 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.856 0.275 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.565 -1.337 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.551 -2.444 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.922 -0.703 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.268 1.328 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.930 -0.419 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.375 0.233 1.791 1.00 0.00 H new ATOM 564 N GLY A 42 -7.902 -2.775 5.037 1.00 0.00 N ATOM 565 CA GLY A 42 -8.652 -4.014 5.008 1.00 0.00 C ATOM 566 C GLY A 42 -9.718 -3.973 3.935 1.00 0.00 C ATOM 567 O GLY A 42 -10.109 -2.885 3.501 1.00 0.00 O ATOM 0 H GLY A 42 -8.439 -1.951 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.976 -4.849 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.114 -4.187 5.980 1.00 0.00 H new ATOM 571 N ASN A 43 -10.183 -5.138 3.491 1.00 0.00 N ATOM 572 CA ASN A 43 -11.204 -5.193 2.444 1.00 0.00 C ATOM 573 C ASN A 43 -11.921 -6.553 2.342 1.00 0.00 C ATOM 574 O ASN A 43 -12.149 -7.041 1.234 1.00 0.00 O ATOM 575 CB ASN A 43 -10.567 -4.855 1.091 1.00 0.00 C ATOM 576 CG ASN A 43 -9.336 -5.694 0.789 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.212 -6.836 1.228 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.408 -5.126 0.044 1.00 0.00 N ATOM 0 H ASN A 43 -9.875 -6.048 3.834 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.964 -4.461 2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.304 -5.003 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.293 -3.800 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.555 -5.636 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.543 -4.177 -0.304 1.00 0.00 H new ATOM 584 N PRO A 44 -12.346 -7.172 3.466 1.00 0.00 N ATOM 585 CA PRO A 44 -13.036 -8.470 3.424 1.00 0.00 C ATOM 586 C PRO A 44 -14.449 -8.328 2.867 1.00 0.00 C ATOM 587 O PRO A 44 -15.090 -9.306 2.482 1.00 0.00 O ATOM 588 CB PRO A 44 -13.088 -8.917 4.894 1.00 0.00 C ATOM 589 CG PRO A 44 -12.229 -7.951 5.644 1.00 0.00 C ATOM 590 CD PRO A 44 -12.222 -6.683 4.843 1.00 0.00 C ATOM 0 HA PRO A 44 -12.524 -9.184 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.111 -8.905 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.719 -9.937 5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.623 -7.776 6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.218 -8.341 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.049 -6.027 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.303 -6.116 4.990 1.00 0.00 H new ATOM 595 N ASN A 45 -14.921 -7.088 2.824 1.00 0.00 N ATOM 596 CA ASN A 45 -16.256 -6.781 2.323 1.00 0.00 C ATOM 597 C ASN A 45 -16.220 -6.512 0.825 1.00 0.00 C ATOM 598 O ASN A 45 -17.247 -6.243 0.210 1.00 0.00 O ATOM 599 CB ASN A 45 -16.827 -5.554 3.039 1.00 0.00 C ATOM 600 CG ASN A 45 -16.878 -5.723 4.545 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.077 -6.824 5.057 1.00 0.00 O ATOM 602 ND2 ASN A 45 -16.677 -4.633 5.271 1.00 0.00 N ATOM 0 H ASN A 45 -14.394 -6.271 3.133 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.892 -7.644 2.517 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.220 -4.682 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.832 -5.356 2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.684 -4.690 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -16.515 -3.737 4.812 1.00 0.00 H new ATOM 608 N GLY A 46 -15.031 -6.580 0.239 1.00 0.00 N ATOM 609 CA GLY A 46 -14.900 -6.321 -1.179 1.00 0.00 C ATOM 610 C GLY A 46 -14.639 -4.857 -1.459 1.00 0.00 C ATOM 611 O GLY A 46 -14.571 -4.432 -2.612 1.00 0.00 O ATOM 0 H GLY A 46 -14.160 -6.809 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.085 -6.920 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.810 -6.633 -1.691 1.00 0.00 H new ATOM 615 N PHE A 47 -14.503 -4.081 -0.395 1.00 0.00 N ATOM 616 CA PHE A 47 -14.249 -2.656 -0.513 1.00 0.00 C ATOM 617 C PHE A 47 -13.005 -2.274 0.263 1.00 0.00 C ATOM 618 O PHE A 47 -12.837 -2.667 1.416 1.00 0.00 O ATOM 619 CB PHE A 47 -15.450 -1.852 -0.023 1.00 0.00 C ATOM 620 CG PHE A 47 -16.697 -2.127 -0.808 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.773 -1.775 -2.145 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.783 -2.750 -0.218 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.913 -2.037 -2.879 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.925 -3.017 -0.946 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.991 -2.660 -2.279 1.00 0.00 C ATOM 0 H PHE A 47 -14.565 -4.418 0.566 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.087 -2.423 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.630 -2.081 1.027 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.217 -0.789 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.932 -1.291 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.736 -3.030 0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.962 -1.755 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.766 -3.504 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.883 -2.867 -2.851 1.00 0.00 H new ATOM 634 N LEU A 48 -12.144 -1.507 -0.379 1.00 0.00 N ATOM 635 CA LEU A 48 -10.895 -1.068 0.225 1.00 0.00 C ATOM 636 C LEU A 48 -11.101 0.187 1.052 1.00 0.00 C ATOM 637 O LEU A 48 -12.025 0.965 0.803 1.00 0.00 O ATOM 638 CB LEU A 48 -9.848 -0.799 -0.860 1.00 0.00 C ATOM 639 CG LEU A 48 -9.051 -2.022 -1.322 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.960 -3.047 -1.972 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.944 -1.619 -2.280 1.00 0.00 C ATOM 0 H LEU A 48 -12.288 -1.170 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.543 -1.864 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.349 -0.365 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.149 -0.050 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.596 -2.474 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.370 -3.906 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.714 -3.371 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.450 -2.602 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.393 -2.506 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.378 -1.134 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.265 -0.927 -1.781 1.00 0.00 H new ATOM 652 N GLY A 49 -10.245 0.373 2.040 1.00 0.00 N ATOM 653 CA GLY A 49 -10.338 1.542 2.875 1.00 0.00 C ATOM 654 C GLY A 49 -9.418 1.460 4.066 1.00 0.00 C ATOM 655 O GLY A 49 -8.810 0.417 4.321 1.00 0.00 O ATOM 0 H GLY A 49 -9.487 -0.267 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.093 2.427 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.366 1.661 3.218 1.00 0.00 H new ATOM 659 N TRP A 50 -9.319 2.559 4.793 1.00 0.00 N ATOM 660 CA TRP A 50 -8.462 2.630 5.963 1.00 0.00 C ATOM 661 C TRP A 50 -9.268 2.378 7.231 1.00 0.00 C ATOM 662 O TRP A 50 -10.339 2.956 7.420 1.00 0.00 O ATOM 663 CB TRP A 50 -7.770 3.996 6.023 1.00 0.00 C ATOM 664 CG TRP A 50 -6.819 4.223 4.885 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.092 4.798 3.675 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.435 3.865 4.852 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.956 4.823 2.899 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.930 4.249 3.597 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.577 3.254 5.764 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.601 4.044 3.235 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.261 3.052 5.406 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.783 3.441 4.150 1.00 0.00 C ATOM 0 H TRP A 50 -9.826 3.421 4.591 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.698 1.856 5.888 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.527 4.781 6.019 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.228 4.081 6.965 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.057 5.177 3.373 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.890 5.207 1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.936 2.944 6.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.230 4.350 2.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.587 2.585 6.108 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.748 3.262 3.898 1.00 0.00 H new ATOM 682 N GLY A 51 -8.765 1.496 8.077 1.00 0.00 N ATOM 683 CA GLY A 51 -9.447 1.174 9.315 1.00 0.00 C ATOM 684 C GLY A 51 -9.317 -0.292 9.661 1.00 0.00 C ATOM 685 O GLY A 51 -8.737 -0.654 10.690 1.00 0.00 O ATOM 0 H GLY A 51 -7.890 0.993 7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.035 1.777 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.502 1.435 9.228 1.00 0.00 H new ATOM 689 N MET A 52 -9.855 -1.137 8.794 1.00 0.00 N ATOM 690 CA MET A 52 -9.799 -2.579 8.981 1.00 0.00 C ATOM 691 C MET A 52 -8.368 -3.065 8.732 1.00 0.00 C ATOM 692 O MET A 52 -7.477 -2.255 8.489 1.00 0.00 O ATOM 693 CB MET A 52 -10.801 -3.255 8.044 1.00 0.00 C ATOM 694 CG MET A 52 -11.573 -4.386 8.700 1.00 0.00 C ATOM 695 SD MET A 52 -12.946 -4.970 7.688 1.00 0.00 S ATOM 696 CE MET A 52 -13.633 -6.227 8.766 1.00 0.00 C ATOM 0 H MET A 52 -10.340 -0.845 7.946 1.00 0.00 H new ATOM 0 HA MET A 52 -10.071 -2.841 10.003 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.506 -2.508 7.678 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.270 -3.644 7.175 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.895 -5.216 8.899 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.955 -4.049 9.664 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.495 -6.688 8.284 1.00 0.00 H new ATOM 0 HE2 MET A 52 -12.879 -6.988 8.964 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.943 -5.770 9.706 1.00 0.00 H new ATOM 704 N GLN A 53 -8.125 -4.367 8.786 1.00 0.00 N ATOM 705 CA GLN A 53 -6.767 -4.862 8.597 1.00 0.00 C ATOM 706 C GLN A 53 -6.724 -6.175 7.820 1.00 0.00 C ATOM 707 O GLN A 53 -7.755 -6.804 7.579 1.00 0.00 O ATOM 708 CB GLN A 53 -6.106 -5.034 9.967 1.00 0.00 C ATOM 709 CG GLN A 53 -6.873 -5.961 10.898 1.00 0.00 C ATOM 710 CD GLN A 53 -6.455 -5.813 12.346 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.541 -6.491 12.818 1.00 0.00 O ATOM 712 NE2 GLN A 53 -7.126 -4.927 13.064 1.00 0.00 N ATOM 0 H GLN A 53 -8.830 -5.085 8.955 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.222 -4.130 8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.098 -5.424 9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.008 -4.057 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.940 -5.756 10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.719 -6.993 10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.876 -4.386 12.635 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.893 -4.785 14.047 1.00 0.00 H new ATOM 719 N ASN A 54 -5.509 -6.557 7.422 1.00 0.00 N ATOM 720 CA ASN A 54 -5.257 -7.797 6.687 1.00 0.00 C ATOM 721 C ASN A 54 -5.922 -7.809 5.317 1.00 0.00 C ATOM 722 O ASN A 54 -6.525 -8.804 4.918 1.00 0.00 O ATOM 723 CB ASN A 54 -5.699 -9.013 7.502 1.00 0.00 C ATOM 724 CG ASN A 54 -4.648 -9.445 8.504 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.719 -8.911 9.712 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.777 -10.257 8.190 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.667 -6.011 7.602 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.181 -7.850 6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.625 -8.779 8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.917 -9.841 6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.758 -10.645 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.075 -10.541 8.873 1.00 0.00 H new ATOM 732 N PHE A 55 -5.784 -6.710 4.585 1.00 0.00 N ATOM 733 CA PHE A 55 -6.368 -6.611 3.254 1.00 0.00 C ATOM 734 C PHE A 55 -5.695 -7.586 2.292 1.00 0.00 C ATOM 735 O PHE A 55 -6.335 -8.124 1.397 1.00 0.00 O ATOM 736 CB PHE A 55 -6.256 -5.180 2.709 1.00 0.00 C ATOM 737 CG PHE A 55 -4.871 -4.775 2.274 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.910 -4.413 3.204 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.538 -4.750 0.928 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.643 -4.036 2.800 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.272 -4.375 0.519 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.323 -4.018 1.457 1.00 0.00 C ATOM 0 H PHE A 55 -5.276 -5.879 4.889 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.423 -6.871 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.933 -5.075 1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.598 -4.486 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.153 -4.426 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.277 -5.027 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.903 -3.755 3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.025 -4.361 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.333 -3.725 1.141 1.00 0.00 H new ATOM 751 N SER A 56 -4.404 -7.828 2.504 1.00 0.00 N ATOM 752 CA SER A 56 -3.634 -8.724 1.651 1.00 0.00 C ATOM 753 C SER A 56 -4.170 -10.153 1.717 1.00 0.00 C ATOM 754 O SER A 56 -4.102 -10.897 0.741 1.00 0.00 O ATOM 755 CB SER A 56 -2.164 -8.689 2.069 1.00 0.00 C ATOM 756 OG SER A 56 -1.737 -7.355 2.295 1.00 0.00 O ATOM 0 H SER A 56 -3.868 -7.412 3.265 1.00 0.00 H new ATOM 0 HA SER A 56 -3.728 -8.384 0.620 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.025 -9.279 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.550 -9.146 1.293 1.00 0.00 H new ATOM 0 HG SER A 56 -1.171 -7.062 1.551 1.00 0.00 H new ATOM 761 N HIS A 57 -4.722 -10.528 2.867 1.00 0.00 N ATOM 762 CA HIS A 57 -5.265 -11.869 3.044 1.00 0.00 C ATOM 763 C HIS A 57 -6.670 -11.971 2.463 1.00 0.00 C ATOM 764 O HIS A 57 -7.277 -13.041 2.457 1.00 0.00 O ATOM 765 CB HIS A 57 -5.265 -12.274 4.518 1.00 0.00 C ATOM 766 CG HIS A 57 -3.899 -12.600 5.028 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.317 -11.953 6.089 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.994 -13.512 4.605 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.112 -12.446 6.296 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.889 -13.395 5.408 1.00 0.00 N ATOM 0 H HIS A 57 -4.805 -9.925 3.686 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.619 -12.560 2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.686 -11.464 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.914 -13.139 4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.119 -14.205 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.423 -12.126 7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.036 -13.950 5.331 1.00 0.00 H new ATOM 778 N SER A 58 -7.183 -10.850 1.978 1.00 0.00 N ATOM 779 CA SER A 58 -8.508 -10.810 1.386 1.00 0.00 C ATOM 780 C SER A 58 -8.450 -10.154 0.008 1.00 0.00 C ATOM 781 O SER A 58 -9.448 -9.647 -0.492 1.00 0.00 O ATOM 782 CB SER A 58 -9.465 -10.044 2.304 1.00 0.00 C ATOM 783 OG SER A 58 -9.448 -10.582 3.620 1.00 0.00 O ATOM 0 H SER A 58 -6.698 -9.953 1.984 1.00 0.00 H new ATOM 0 HA SER A 58 -8.876 -11.829 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.182 -8.992 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.477 -10.091 1.901 1.00 0.00 H new ATOM 0 HG SER A 58 -10.065 -10.076 4.188 1.00 0.00 H new ATOM 788 N SER A 59 -7.274 -10.169 -0.605 1.00 0.00 N ATOM 789 CA SER A 59 -7.100 -9.570 -1.918 1.00 0.00 C ATOM 790 C SER A 59 -6.210 -10.420 -2.809 1.00 0.00 C ATOM 791 O SER A 59 -5.474 -11.288 -2.333 1.00 0.00 O ATOM 792 CB SER A 59 -6.489 -8.174 -1.794 1.00 0.00 C ATOM 793 OG SER A 59 -7.345 -7.293 -1.096 1.00 0.00 O ATOM 0 H SER A 59 -6.430 -10.588 -0.214 1.00 0.00 H new ATOM 0 HA SER A 59 -8.089 -9.503 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.532 -8.239 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.287 -7.775 -2.788 1.00 0.00 H new ATOM 0 HG SER A 59 -7.286 -7.473 -0.134 1.00 0.00 H new ATOM 798 N GLU A 60 -6.292 -10.162 -4.105 1.00 0.00 N ATOM 799 CA GLU A 60 -5.496 -10.863 -5.095 1.00 0.00 C ATOM 800 C GLU A 60 -4.870 -9.866 -6.062 1.00 0.00 C ATOM 801 O GLU A 60 -5.499 -8.867 -6.416 1.00 0.00 O ATOM 802 CB GLU A 60 -6.359 -11.867 -5.859 1.00 0.00 C ATOM 803 CG GLU A 60 -6.835 -13.028 -5.005 1.00 0.00 C ATOM 804 CD GLU A 60 -7.659 -14.024 -5.786 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.067 -14.845 -6.514 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.901 -13.986 -5.679 1.00 0.00 O ATOM 0 H GLU A 60 -6.915 -9.457 -4.499 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.702 -11.407 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.226 -11.350 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.789 -12.256 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.972 -13.535 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.427 -12.644 -4.174 1.00 0.00 H new ATOM 811 N ASP A 61 -3.632 -10.141 -6.467 1.00 0.00 N ATOM 812 CA ASP A 61 -2.890 -9.280 -7.394 1.00 0.00 C ATOM 813 C ASP A 61 -2.719 -7.878 -6.810 1.00 0.00 C ATOM 814 O ASP A 61 -3.379 -6.926 -7.228 1.00 0.00 O ATOM 815 CB ASP A 61 -3.585 -9.221 -8.762 1.00 0.00 C ATOM 816 CG ASP A 61 -2.735 -8.552 -9.825 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.725 -9.156 -10.248 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.076 -7.433 -10.257 1.00 0.00 O ATOM 0 H ASP A 61 -3.113 -10.965 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.899 -9.711 -7.538 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.831 -10.233 -9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.527 -8.681 -8.663 1.00 0.00 H new ATOM 822 N ILE A 62 -1.839 -7.771 -5.825 1.00 0.00 N ATOM 823 CA ILE A 62 -1.569 -6.503 -5.166 1.00 0.00 C ATOM 824 C ILE A 62 -0.388 -5.801 -5.827 1.00 0.00 C ATOM 825 O ILE A 62 0.746 -6.285 -5.771 1.00 0.00 O ATOM 826 CB ILE A 62 -1.274 -6.715 -3.667 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.450 -7.434 -2.999 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.994 -5.386 -2.982 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.214 -7.776 -1.544 1.00 0.00 C ATOM 0 H ILE A 62 -1.296 -8.555 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.457 -5.878 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.384 -7.337 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.338 -6.806 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.661 -8.352 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.788 -5.557 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.130 -4.912 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.863 -4.735 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.091 -8.283 -1.142 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.347 -8.431 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.034 -6.861 -0.980 1.00 0.00 H new ATOM 840 N LYS A 63 -0.656 -4.659 -6.446 1.00 0.00 N ATOM 841 CA LYS A 63 0.380 -3.901 -7.134 1.00 0.00 C ATOM 842 C LYS A 63 0.084 -2.400 -7.040 1.00 0.00 C ATOM 843 O LYS A 63 -1.074 -1.997 -6.961 1.00 0.00 O ATOM 844 CB LYS A 63 0.444 -4.367 -8.596 1.00 0.00 C ATOM 845 CG LYS A 63 1.736 -4.015 -9.314 1.00 0.00 C ATOM 846 CD LYS A 63 1.662 -2.657 -9.982 1.00 0.00 C ATOM 847 CE LYS A 63 2.990 -2.286 -10.609 1.00 0.00 C ATOM 848 NZ LYS A 63 2.955 -0.938 -11.225 1.00 0.00 N ATOM 0 H LYS A 63 -1.584 -4.237 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 63 1.348 -4.075 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.310 -5.448 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.391 -3.927 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.561 -4.024 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.953 -4.776 -10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.885 -2.666 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.379 -1.902 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.771 -2.317 -9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.252 -3.024 -11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.923 -0.567 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.529 -1.000 -12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.388 -0.300 -10.631 1.00 0.00 H new ATOM 858 N LEU A 64 1.131 -1.581 -7.037 1.00 0.00 N ATOM 859 CA LEU A 64 0.977 -0.130 -6.941 1.00 0.00 C ATOM 860 C LEU A 64 0.690 0.490 -8.305 1.00 0.00 C ATOM 861 O LEU A 64 1.476 0.359 -9.241 1.00 0.00 O ATOM 862 CB LEU A 64 2.238 0.493 -6.346 1.00 0.00 C ATOM 863 CG LEU A 64 2.463 0.202 -4.864 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.868 0.607 -4.447 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.436 0.934 -4.021 1.00 0.00 C ATOM 0 H LEU A 64 2.099 -1.897 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 64 0.128 0.073 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.102 0.135 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.193 1.573 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 64 2.349 -0.870 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.009 0.392 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.597 0.046 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.006 1.674 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.609 0.717 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.525 2.007 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.435 0.605 -4.300 1.00 0.00 H new ATOM 876 N GLU A 65 -0.436 1.192 -8.389 1.00 0.00 N ATOM 877 CA GLU A 65 -0.866 1.833 -9.624 1.00 0.00 C ATOM 878 C GLU A 65 -0.032 3.074 -9.926 1.00 0.00 C ATOM 879 O GLU A 65 0.685 3.119 -10.921 1.00 0.00 O ATOM 880 CB GLU A 65 -2.350 2.206 -9.528 1.00 0.00 C ATOM 881 CG GLU A 65 -2.867 2.979 -10.731 1.00 0.00 C ATOM 882 CD GLU A 65 -4.356 3.247 -10.664 1.00 0.00 C ATOM 883 OE1 GLU A 65 -5.142 2.341 -11.007 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.750 4.370 -10.283 1.00 0.00 O ATOM 0 H GLU A 65 -1.073 1.331 -7.605 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.722 1.126 -10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.937 1.295 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.508 2.802 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.335 3.928 -10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.644 2.419 -11.639 1.00 0.00 H new ATOM 889 N GLU A 66 -0.108 4.071 -9.053 1.00 0.00 N ATOM 890 CA GLU A 66 0.629 5.312 -9.252 1.00 0.00 C ATOM 891 C GLU A 66 2.044 5.214 -8.700 1.00 0.00 C ATOM 892 O GLU A 66 2.573 6.177 -8.145 1.00 0.00 O ATOM 893 CB GLU A 66 -0.098 6.469 -8.586 1.00 0.00 C ATOM 894 CG GLU A 66 -1.556 6.550 -8.966 1.00 0.00 C ATOM 895 CD GLU A 66 -2.240 7.768 -8.387 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.730 7.685 -7.249 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.294 8.811 -9.072 1.00 0.00 O ATOM 0 H GLU A 66 -0.671 4.045 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 66 0.691 5.490 -10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.016 6.367 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.394 7.403 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.644 6.570 -10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.068 5.652 -8.621 1.00 0.00 H new ATOM 902 N GLY A 67 2.627 4.031 -8.822 1.00 0.00 N ATOM 903 CA GLY A 67 3.982 3.799 -8.352 1.00 0.00 C ATOM 904 C GLY A 67 4.176 4.111 -6.878 1.00 0.00 C ATOM 905 O GLY A 67 5.296 4.375 -6.445 1.00 0.00 O ATOM 0 H GLY A 67 2.181 3.216 -9.243 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.247 2.757 -8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.670 4.409 -8.938 1.00 0.00 H new ATOM 909 N GLY A 68 3.092 4.106 -6.108 1.00 0.00 N ATOM 910 CA GLY A 68 3.212 4.380 -4.692 1.00 0.00 C ATOM 911 C GLY A 68 2.102 5.259 -4.162 1.00 0.00 C ATOM 912 O GLY A 68 1.795 5.222 -2.974 1.00 0.00 O ATOM 0 H GLY A 68 2.145 3.919 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.214 3.437 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.171 4.861 -4.501 1.00 0.00 H new ATOM 916 N ARG A 69 1.483 6.047 -5.032 1.00 0.00 N ATOM 917 CA ARG A 69 0.406 6.926 -4.595 1.00 0.00 C ATOM 918 C ARG A 69 -0.893 6.149 -4.427 1.00 0.00 C ATOM 919 O ARG A 69 -1.826 6.616 -3.774 1.00 0.00 O ATOM 920 CB ARG A 69 0.157 8.060 -5.594 1.00 0.00 C ATOM 921 CG ARG A 69 0.700 9.417 -5.183 1.00 0.00 C ATOM 922 CD ARG A 69 2.103 9.642 -5.713 1.00 0.00 C ATOM 923 NE ARG A 69 2.419 11.066 -5.812 1.00 0.00 N ATOM 924 CZ ARG A 69 2.178 11.803 -6.898 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.642 11.242 -7.979 1.00 0.00 N ATOM 926 NH2 ARG A 69 2.476 13.094 -6.908 1.00 0.00 N ATOM 0 H ARG A 69 1.703 6.096 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 69 0.719 7.349 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.601 7.784 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.917 8.150 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.040 10.201 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.705 9.493 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.823 9.154 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.201 9.178 -6.694 1.00 0.00 H new ATOM 0 HE ARG A 69 2.847 11.521 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.415 10.248 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.458 11.806 -8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.891 13.528 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.290 13.654 -7.740 1.00 0.00 H new ATOM 937 N LYS A 70 -0.952 4.960 -5.011 1.00 0.00 N ATOM 938 CA LYS A 70 -2.160 4.157 -4.950 1.00 0.00 C ATOM 939 C LYS A 70 -1.851 2.674 -5.079 1.00 0.00 C ATOM 940 O LYS A 70 -1.025 2.274 -5.900 1.00 0.00 O ATOM 941 CB LYS A 70 -3.090 4.582 -6.083 1.00 0.00 C ATOM 942 CG LYS A 70 -4.514 4.063 -5.956 1.00 0.00 C ATOM 943 CD LYS A 70 -5.349 4.438 -7.168 1.00 0.00 C ATOM 944 CE LYS A 70 -5.354 5.940 -7.397 1.00 0.00 C ATOM 945 NZ LYS A 70 -5.916 6.301 -8.725 1.00 0.00 N ATOM 0 H LYS A 70 -0.182 4.535 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.634 4.317 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.116 5.671 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.673 4.235 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.499 2.979 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.973 4.471 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.956 3.935 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.371 4.086 -7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.937 6.424 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.336 6.322 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.510 7.205 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.683 5.558 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.949 6.393 -8.651 1.00 0.00 H new ATOM 955 N LEU A 71 -2.526 1.873 -4.272 1.00 0.00 N ATOM 956 CA LEU A 71 -2.358 0.428 -4.287 1.00 0.00 C ATOM 957 C LEU A 71 -3.606 -0.210 -4.893 1.00 0.00 C ATOM 958 O LEU A 71 -4.727 0.113 -4.502 1.00 0.00 O ATOM 959 CB LEU A 71 -2.116 -0.082 -2.857 1.00 0.00 C ATOM 960 CG LEU A 71 -1.855 -1.586 -2.701 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.014 -1.844 -1.461 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.164 -2.354 -2.596 1.00 0.00 C ATOM 0 H LEU A 71 -3.206 2.205 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.494 0.156 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.264 0.457 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.984 0.178 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.317 -1.931 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.834 -2.914 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.061 -1.323 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.543 -1.480 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.954 -3.418 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.723 -2.003 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.754 -2.192 -3.498 1.00 0.00 H new ATOM 973 N THR A 72 -3.412 -1.091 -5.860 1.00 0.00 N ATOM 974 CA THR A 72 -4.525 -1.763 -6.511 1.00 0.00 C ATOM 975 C THR A 72 -4.473 -3.270 -6.293 1.00 0.00 C ATOM 976 O THR A 72 -3.407 -3.887 -6.389 1.00 0.00 O ATOM 977 CB THR A 72 -4.559 -1.463 -8.022 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.232 -1.520 -8.570 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.169 -0.097 -8.288 1.00 0.00 C ATOM 0 H THR A 72 -2.493 -1.358 -6.212 1.00 0.00 H new ATOM 0 HA THR A 72 -5.435 -1.374 -6.055 1.00 0.00 H new ATOM 0 HB THR A 72 -5.178 -2.219 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.690 -2.149 -8.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.182 0.093 -9.361 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.188 -0.072 -7.902 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.575 0.670 -7.791 1.00 0.00 H new ATOM 987 N CYS A 73 -5.627 -3.846 -5.991 1.00 0.00 N ATOM 988 CA CYS A 73 -5.751 -5.277 -5.754 1.00 0.00 C ATOM 989 C CYS A 73 -7.214 -5.684 -5.859 1.00 0.00 C ATOM 990 O CYS A 73 -8.100 -4.832 -5.828 1.00 0.00 O ATOM 991 CB CYS A 73 -5.205 -5.637 -4.369 1.00 0.00 C ATOM 992 SG CYS A 73 -6.069 -4.834 -2.995 1.00 0.00 S ATOM 0 H CYS A 73 -6.505 -3.334 -5.903 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.171 -5.814 -6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.264 -6.717 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.150 -5.368 -4.326 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.700 -5.730 -2.296 1.00 0.00 H new ATOM 997 N ARG A 74 -7.481 -6.968 -6.006 1.00 0.00 N ATOM 998 CA ARG A 74 -8.856 -7.426 -6.092 1.00 0.00 C ATOM 999 C ARG A 74 -9.321 -7.967 -4.749 1.00 0.00 C ATOM 1000 O ARG A 74 -8.933 -9.066 -4.349 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.030 -8.494 -7.175 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.459 -9.006 -7.258 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.664 -10.005 -8.383 1.00 0.00 C ATOM 1004 NE ARG A 74 -12.062 -10.432 -8.447 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.567 -11.237 -9.381 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.800 -11.698 -10.360 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.855 -11.561 -9.341 1.00 0.00 N ATOM 0 H ARG A 74 -6.777 -7.703 -6.068 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.470 -6.568 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.738 -8.080 -8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.359 -9.328 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.728 -9.473 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.134 -8.162 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.372 -9.556 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.021 -10.871 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.695 -10.089 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.815 -11.437 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.195 -12.314 -11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.450 -11.194 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.248 -12.177 -10.053 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.135 -7.186 -4.027 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.672 -7.587 -2.727 1.00 0.00 C ATOM 1020 C PRO A 75 -11.727 -8.668 -2.883 1.00 0.00 C ATOM 1021 O PRO A 75 -12.703 -8.490 -3.613 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.305 -6.304 -2.196 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.688 -5.556 -3.421 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.608 -5.847 -4.422 1.00 0.00 C ATOM 0 HA PRO A 75 -9.910 -8.001 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.172 -6.516 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.603 -5.736 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.662 -5.878 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.761 -4.487 -3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.992 -5.840 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.808 -5.108 -4.378 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.514 -9.789 -2.220 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.434 -10.904 -2.286 1.00 0.00 C ATOM 1031 C LYS A 76 -12.983 -11.252 -0.908 1.00 0.00 C ATOM 1032 O LYS A 76 -12.276 -11.163 0.094 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.743 -12.113 -2.915 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.362 -12.403 -2.338 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.350 -13.655 -1.477 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.499 -14.917 -2.316 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.391 -15.076 -3.293 1.00 0.00 N ATOM 0 H LYS A 76 -10.702 -9.950 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.279 -10.615 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.374 -12.991 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.651 -11.949 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.647 -12.518 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.033 -11.551 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.418 -13.700 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.160 -13.604 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.529 -15.786 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.449 -14.887 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.323 -16.073 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.577 -14.485 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.496 -14.781 -2.854 1.00 0.00 H new ATOM 1047 N THR A 77 -14.254 -11.640 -0.863 1.00 0.00 N ATOM 1048 CA THR A 77 -14.880 -12.010 0.392 1.00 0.00 C ATOM 1049 C THR A 77 -14.403 -13.384 0.808 1.00 0.00 C ATOM 1050 O THR A 77 -14.316 -14.297 -0.021 1.00 0.00 O ATOM 1051 CB THR A 77 -16.426 -12.016 0.311 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.981 -12.205 1.616 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.939 -13.121 -0.604 1.00 0.00 C ATOM 0 H THR A 77 -14.864 -11.705 -1.678 1.00 0.00 H new ATOM 0 HA THR A 77 -14.592 -11.258 1.127 1.00 0.00 H new ATOM 0 HB THR A 77 -16.735 -11.054 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.959 -12.206 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.028 -13.092 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.544 -12.974 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.612 -14.089 -0.224 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.098 -13.519 2.087 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.621 -14.773 2.643 1.00 0.00 C ATOM 1063 C VAL A 78 -14.767 -15.763 2.820 1.00 0.00 C ATOM 1064 O VAL A 78 -14.549 -16.926 3.161 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.917 -14.552 3.998 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.700 -13.659 3.821 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.877 -13.958 5.023 1.00 0.00 C ATOM 0 H VAL A 78 -14.174 -12.764 2.768 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.901 -15.186 1.937 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.586 -15.521 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.213 -13.512 4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.001 -14.130 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.012 -12.694 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.355 -13.813 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.247 -12.999 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.716 -14.638 5.172 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.988 -15.289 2.586 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.175 -16.125 2.709 1.00 0.00 C ATOM 1079 C ASP A 79 -17.203 -17.184 1.611 1.00 0.00 C ATOM 1080 O ASP A 79 -17.701 -18.291 1.810 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.437 -15.262 2.641 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.703 -16.068 2.851 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.919 -16.554 3.980 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -20.498 -16.199 1.896 1.00 0.00 O ATOM 0 H ASP A 79 -16.180 -14.326 2.309 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.143 -16.630 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.379 -14.479 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.482 -14.766 1.671 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.651 -16.838 0.458 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.613 -17.770 -0.653 1.00 0.00 C ATOM 1090 C GLY A 80 -15.375 -17.605 -1.514 1.00 0.00 C ATOM 1091 O GLY A 80 -14.955 -18.539 -2.195 1.00 0.00 O ATOM 0 H GLY A 80 -16.228 -15.929 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.650 -18.789 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.501 -17.630 -1.270 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.779 -16.419 -1.472 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.595 -16.150 -2.264 1.00 0.00 C ATOM 1097 C GLY A 81 -13.912 -15.357 -3.512 1.00 0.00 C ATOM 1098 O GLY A 81 -13.076 -15.217 -4.401 1.00 0.00 O ATOM 0 H GLY A 81 -15.097 -15.636 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.873 -15.601 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.125 -17.093 -2.544 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.120 -14.820 -3.561 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.585 -14.056 -4.717 1.00 0.00 C ATOM 1104 C PHE A 82 -15.748 -12.594 -4.348 1.00 0.00 C ATOM 1105 O PHE A 82 -15.876 -12.292 -3.167 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.919 -14.622 -5.220 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.952 -14.788 -4.136 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.791 -13.740 -3.787 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.073 -15.989 -3.458 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.728 -13.891 -2.783 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.006 -16.143 -2.452 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.834 -15.095 -2.114 1.00 0.00 C ATOM 0 H PHE A 82 -15.805 -14.898 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.843 -14.137 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.316 -13.962 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.739 -15.589 -5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.711 -12.796 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.429 -16.816 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.377 -13.068 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.087 -17.085 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.565 -15.215 -1.328 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.731 -11.703 -5.349 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.914 -10.263 -5.132 1.00 0.00 C ATOM 1123 C ARG A 83 -15.474 -9.459 -6.350 1.00 0.00 C ATOM 1124 O ARG A 83 -15.303 -10.007 -7.438 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.142 -9.786 -3.921 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.936 -8.911 -2.967 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.922 -9.728 -2.151 1.00 0.00 C ATOM 1128 NE ARG A 83 -18.185 -9.947 -2.852 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.344 -10.199 -2.236 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.420 -10.188 -0.907 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.436 -10.442 -2.946 1.00 0.00 N ATOM 0 H ARG A 83 -15.591 -11.959 -6.326 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.979 -10.103 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.775 -10.655 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.268 -9.230 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.253 -8.389 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.473 -8.149 -3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.475 -10.691 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.118 -9.218 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.182 -9.905 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.589 -9.986 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.309 -10.381 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.393 -10.437 -3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.319 -10.634 -2.473 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.235 -8.170 -6.136 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.871 -7.255 -7.210 1.00 0.00 C ATOM 1144 C GLU A 84 -13.418 -6.812 -7.093 1.00 0.00 C ATOM 1145 O GLU A 84 -12.728 -7.168 -6.149 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.766 -6.014 -7.138 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.252 -6.318 -7.030 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.804 -6.992 -8.266 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -18.066 -6.287 -9.260 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.993 -8.228 -8.243 1.00 0.00 O ATOM 0 H GLU A 84 -15.288 -7.732 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.003 -7.776 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.467 -5.414 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.595 -5.406 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.425 -6.958 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.796 -5.390 -6.854 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.963 -6.039 -8.071 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.608 -5.502 -8.074 1.00 0.00 C ATOM 1157 C ARG A 85 -11.685 -4.038 -7.656 1.00 0.00 C ATOM 1158 O ARG A 85 -12.716 -3.398 -7.875 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.992 -5.636 -9.463 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.502 -5.341 -9.521 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.964 -5.564 -10.923 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.553 -5.206 -11.045 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.903 -5.154 -12.206 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.520 -5.516 -13.328 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.630 -4.775 -12.237 1.00 0.00 N ATOM 0 H ARG A 85 -13.520 -5.767 -8.881 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.976 -6.055 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.164 -6.649 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.510 -4.961 -10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.318 -4.311 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.972 -5.982 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.095 -6.611 -11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.547 -4.975 -11.630 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.037 -4.984 -10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.489 -5.833 -13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.024 -5.477 -14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.151 -4.524 -11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.131 -4.735 -13.126 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.617 -3.495 -7.083 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.654 -2.109 -6.612 1.00 0.00 C ATOM 1178 C GLN A 86 -9.247 -1.572 -6.303 1.00 0.00 C ATOM 1179 O GLN A 86 -8.251 -2.276 -6.459 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.544 -2.069 -5.361 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.992 -0.684 -4.926 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.934 -0.726 -3.737 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.738 -1.776 -3.645 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.949 0.184 -2.909 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.731 -3.978 -6.934 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.060 -1.466 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.429 -2.678 -5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.004 -2.534 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.117 -0.086 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.487 -0.187 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.316 0.977 -3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.595 0.145 -2.120 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.177 -0.314 -5.884 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.910 0.301 -5.545 1.00 0.00 C ATOM 1193 C GLY A 87 -8.058 1.281 -4.395 1.00 0.00 C ATOM 1194 O GLY A 87 -9.150 1.800 -4.157 1.00 0.00 O ATOM 0 H GLY A 87 -9.987 0.296 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.190 -0.472 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.511 0.819 -6.417 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.976 1.518 -3.669 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.993 2.441 -2.541 1.00 0.00 C ATOM 1200 C ILE A 88 -5.808 3.397 -2.628 1.00 0.00 C ATOM 1201 O ILE A 88 -4.682 2.983 -2.920 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.971 1.692 -1.182 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.996 2.685 -0.016 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.751 0.783 -1.083 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.025 2.018 1.341 1.00 0.00 C ATOM 0 H ILE A 88 -6.070 1.082 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.923 3.007 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.865 1.071 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.118 3.328 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.870 3.328 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.757 0.269 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.778 0.048 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.844 1.381 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.042 2.780 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.917 1.396 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.137 1.397 1.460 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.062 4.675 -2.403 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.004 5.671 -2.462 1.00 0.00 C ATOM 1218 C ASP A 89 -4.167 5.625 -1.189 1.00 0.00 C ATOM 1219 O ASP A 89 -4.692 5.468 -0.084 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.574 7.078 -2.690 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.325 7.634 -1.496 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.686 8.280 -0.633 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.560 7.445 -1.424 1.00 0.00 O ATOM 0 H ASP A 89 -6.985 5.046 -2.179 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.362 5.436 -3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.757 7.755 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.244 7.054 -3.550 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.858 5.751 -1.352 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.938 5.704 -0.225 1.00 0.00 C ATOM 1229 C LEU A 90 -1.392 7.080 0.094 1.00 0.00 C ATOM 1230 O LEU A 90 -0.192 7.266 0.301 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.790 4.761 -0.527 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.203 3.359 -0.938 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.031 2.557 -1.259 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.017 2.688 0.159 1.00 0.00 C ATOM 0 H LEU A 90 -2.408 5.887 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.490 5.341 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.184 5.193 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.154 4.692 0.356 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.836 3.416 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.257 1.548 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.573 3.034 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.672 2.507 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.301 1.685 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.419 2.624 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.915 3.274 0.356 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.285 8.041 0.145 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.914 9.421 0.451 1.00 0.00 C ATOM 1247 C ASN A 91 -1.716 9.591 1.949 1.00 0.00 C ATOM 1248 O ASN A 91 -1.466 10.690 2.444 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.976 10.397 -0.058 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.914 10.589 -1.562 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -2.224 11.482 -2.055 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -3.636 9.760 -2.298 1.00 0.00 N ATOM 0 H ASN A 91 -3.282 7.901 -0.021 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.976 9.644 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.965 10.030 0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.845 11.361 0.434 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.635 9.847 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.194 9.034 -1.849 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.844 8.485 2.667 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.677 8.472 4.110 1.00 0.00 C ATOM 1260 C ARG A 92 -0.270 8.030 4.484 1.00 0.00 C ATOM 1261 O ARG A 92 0.195 8.267 5.595 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.693 7.530 4.742 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.128 7.968 4.553 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.051 7.211 5.483 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.875 7.613 6.874 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.864 7.654 7.765 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -7.101 7.328 7.403 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.613 8.028 9.009 1.00 0.00 N ATOM 0 H ARG A 92 -2.066 7.574 2.265 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.837 9.483 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.567 6.535 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.485 7.448 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.213 9.038 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.430 7.801 3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.085 7.381 5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.864 6.141 5.388 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.940 7.878 7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.294 7.046 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.858 7.360 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.664 8.284 9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.368 8.061 9.694 1.00 0.00 H new ATOM 1279 N ILE A 93 0.404 7.377 3.551 1.00 0.00 N ATOM 1280 CA ILE A 93 1.756 6.895 3.792 1.00 0.00 C ATOM 1281 C ILE A 93 2.746 7.961 3.350 1.00 0.00 C ATOM 1282 O ILE A 93 3.004 8.138 2.158 1.00 0.00 O ATOM 1283 CB ILE A 93 2.015 5.558 3.057 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.836 4.610 3.286 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.308 4.905 3.545 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.547 4.352 4.752 1.00 0.00 C ATOM 0 H ILE A 93 0.039 7.169 2.622 1.00 0.00 H new ATOM 0 HA ILE A 93 1.882 6.702 4.857 1.00 0.00 H new ATOM 0 HB ILE A 93 2.119 5.764 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.054 5.029 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.041 3.661 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.466 3.967 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.147 5.575 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.234 4.707 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.300 3.672 4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.423 3.905 5.222 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.311 5.294 5.247 1.00 0.00 H new ATOM 1297 N GLN A 94 3.261 8.697 4.322 1.00 0.00 N ATOM 1298 CA GLN A 94 4.189 9.785 4.058 1.00 0.00 C ATOM 1299 C GLN A 94 5.596 9.436 4.522 1.00 0.00 C ATOM 1300 O GLN A 94 5.802 8.477 5.262 1.00 0.00 O ATOM 1301 CB GLN A 94 3.735 11.044 4.805 1.00 0.00 C ATOM 1302 CG GLN A 94 2.274 11.410 4.604 1.00 0.00 C ATOM 1303 CD GLN A 94 1.979 11.957 3.226 1.00 0.00 C ATOM 1304 OE1 GLN A 94 1.602 11.087 2.312 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 2.076 13.159 2.988 1.00 0.00 N flip ATOM 0 H GLN A 94 3.049 8.558 5.310 1.00 0.00 H new ATOM 0 HA GLN A 94 4.200 9.957 2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.917 10.903 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.353 11.883 4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.658 10.527 4.776 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.986 12.150 5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.371 13.802 3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.861 13.513 2.056 1.00 0.00 H new ATOM 1312 N ASN A 95 6.554 10.223 4.073 1.00 0.00 N ATOM 1313 CA ASN A 95 7.944 10.059 4.460 1.00 0.00 C ATOM 1314 C ASN A 95 8.427 11.334 5.143 1.00 0.00 C ATOM 1315 O ASN A 95 8.416 12.412 4.549 1.00 0.00 O ATOM 1316 CB ASN A 95 8.832 9.722 3.251 1.00 0.00 C ATOM 1317 CG ASN A 95 8.762 10.747 2.127 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.717 11.341 1.862 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.885 10.965 1.461 1.00 0.00 N ATOM 0 H ASN A 95 6.391 10.996 3.428 1.00 0.00 H new ATOM 0 HA ASN A 95 8.016 9.222 5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.866 9.635 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.540 8.748 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.903 11.644 0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.732 10.454 1.709 1.00 0.00 H new ATOM 1325 N VAL A 96 8.833 11.223 6.398 1.00 0.00 N ATOM 1326 CA VAL A 96 9.296 12.385 7.134 1.00 0.00 C ATOM 1327 C VAL A 96 10.762 12.229 7.499 1.00 0.00 C ATOM 1328 O VAL A 96 11.161 11.240 8.105 1.00 0.00 O ATOM 1329 CB VAL A 96 8.436 12.663 8.394 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.417 11.474 9.336 1.00 0.00 C ATOM 1331 CG2 VAL A 96 8.921 13.912 9.117 1.00 0.00 C ATOM 0 H VAL A 96 8.851 10.348 6.923 1.00 0.00 H new ATOM 0 HA VAL A 96 9.186 13.251 6.481 1.00 0.00 H new ATOM 0 HB VAL A 96 7.413 12.833 8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.804 11.709 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.000 10.609 8.821 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.434 11.249 9.659 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.302 14.086 9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 96 9.958 13.775 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.850 14.770 8.448 1.00 0.00 H new ATOM 1341 N ASN A 97 11.563 13.185 7.062 1.00 0.00 N ATOM 1342 CA ASN A 97 12.999 13.198 7.321 1.00 0.00 C ATOM 1343 C ASN A 97 13.685 11.936 6.791 1.00 0.00 C ATOM 1344 O ASN A 97 14.811 11.623 7.178 1.00 0.00 O ATOM 1345 CB ASN A 97 13.266 13.371 8.816 1.00 0.00 C ATOM 1346 CG ASN A 97 14.196 14.531 9.096 1.00 0.00 C ATOM 1347 OD1 ASN A 97 15.411 14.363 9.189 1.00 0.00 O ATOM 1348 ND2 ASN A 97 13.631 15.721 9.219 1.00 0.00 N ATOM 0 H ASN A 97 11.237 13.981 6.514 1.00 0.00 H new ATOM 0 HA ASN A 97 13.425 14.046 6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.322 13.530 9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.700 12.454 9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.207 16.543 9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.619 15.816 9.135 1.00 0.00 H new ATOM 1354 N GLY A 98 12.996 11.214 5.910 1.00 0.00 N ATOM 1355 CA GLY A 98 13.558 10.013 5.324 1.00 0.00 C ATOM 1356 C GLY A 98 12.876 8.736 5.778 1.00 0.00 C ATOM 1357 O GLY A 98 13.081 7.682 5.182 1.00 0.00 O ATOM 0 H GLY A 98 12.054 11.443 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.491 10.084 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.617 9.958 5.576 1.00 0.00 H new ATOM 1361 N ARG A 99 12.047 8.820 6.808 1.00 0.00 N ATOM 1362 CA ARG A 99 11.369 7.634 7.322 1.00 0.00 C ATOM 1363 C ARG A 99 9.932 7.565 6.833 1.00 0.00 C ATOM 1364 O ARG A 99 9.285 8.591 6.647 1.00 0.00 O ATOM 1365 CB ARG A 99 11.399 7.625 8.849 1.00 0.00 C ATOM 1366 CG ARG A 99 10.522 8.676 9.500 1.00 0.00 C ATOM 1367 CD ARG A 99 11.288 9.457 10.551 1.00 0.00 C ATOM 1368 NE ARG A 99 11.877 8.582 11.559 1.00 0.00 N ATOM 1369 CZ ARG A 99 12.399 9.010 12.702 1.00 0.00 C ATOM 1370 NH1 ARG A 99 12.378 10.301 13.010 1.00 0.00 N ATOM 1371 NH2 ARG A 99 12.932 8.134 13.541 1.00 0.00 N ATOM 0 H ARG A 99 11.828 9.685 7.301 1.00 0.00 H new ATOM 0 HA ARG A 99 11.900 6.759 6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.087 6.641 9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.427 7.771 9.181 1.00 0.00 H new ATOM 0 HG2 ARG A 99 10.144 9.359 8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.656 8.198 9.958 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.075 10.037 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.618 10.168 11.035 1.00 0.00 H new ATOM 0 HE ARG A 99 11.888 7.579 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.959 10.972 12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.781 10.622 13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.939 7.141 13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.336 8.452 14.422 1.00 0.00 H new ATOM 1382 N LEU A 100 9.437 6.355 6.627 1.00 0.00 N ATOM 1383 CA LEU A 100 8.072 6.164 6.169 1.00 0.00 C ATOM 1384 C LEU A 100 7.149 6.005 7.370 1.00 0.00 C ATOM 1385 O LEU A 100 7.364 5.138 8.214 1.00 0.00 O ATOM 1386 CB LEU A 100 7.975 4.939 5.260 1.00 0.00 C ATOM 1387 CG LEU A 100 7.049 5.111 4.061 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.589 6.183 3.138 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.890 3.798 3.314 1.00 0.00 C ATOM 0 H LEU A 100 9.961 5.491 6.770 1.00 0.00 H new ATOM 0 HA LEU A 100 7.767 7.038 5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.973 4.691 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.629 4.091 5.851 1.00 0.00 H new ATOM 0 HG LEU A 100 6.067 5.419 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.921 6.299 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.656 7.128 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.580 5.895 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.226 3.942 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.864 3.460 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.466 3.048 3.982 1.00 0.00 H new ATOM 1400 N VAL A 101 6.136 6.854 7.451 1.00 0.00 N ATOM 1401 CA VAL A 101 5.197 6.819 8.563 1.00 0.00 C ATOM 1402 C VAL A 101 3.765 6.828 8.060 1.00 0.00 C ATOM 1403 O VAL A 101 3.442 7.523 7.093 1.00 0.00 O ATOM 1404 CB VAL A 101 5.381 8.038 9.501 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.519 7.903 10.748 1.00 0.00 C ATOM 1406 CG2 VAL A 101 6.842 8.226 9.882 1.00 0.00 C ATOM 0 H VAL A 101 5.942 7.577 6.759 1.00 0.00 H new ATOM 0 HA VAL A 101 5.399 5.900 9.114 1.00 0.00 H new ATOM 0 HB VAL A 101 5.057 8.924 8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.668 8.772 11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.470 7.840 10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.802 7.000 11.290 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.938 9.089 10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.201 7.335 10.397 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.435 8.389 8.982 1.00 0.00 H new ATOM 1416 N PHE A 102 2.912 6.045 8.703 1.00 0.00 N ATOM 1417 CA PHE A 102 1.511 6.015 8.347 1.00 0.00 C ATOM 1418 C PHE A 102 0.794 7.127 9.081 1.00 0.00 C ATOM 1419 O PHE A 102 0.873 7.233 10.307 1.00 0.00 O ATOM 1420 CB PHE A 102 0.860 4.671 8.682 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.638 4.762 8.820 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.423 5.244 7.782 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.256 4.373 9.995 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.791 5.338 7.920 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.627 4.465 10.136 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.395 4.948 9.097 1.00 0.00 C ATOM 0 H PHE A 102 3.169 5.425 9.471 1.00 0.00 H new ATOM 0 HA PHE A 102 1.432 6.154 7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.105 3.950 7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.283 4.290 9.612 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.957 5.549 6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.660 3.993 10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.391 5.717 7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.097 4.159 11.059 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.467 5.021 9.205 1.00 0.00 H new ATOM 1435 N GLN A 103 0.116 7.956 8.328 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.622 9.059 8.891 1.00 0.00 C ATOM 1437 C GLN A 103 -2.060 9.062 8.389 1.00 0.00 C ATOM 1438 O GLN A 103 -2.960 8.654 9.156 1.00 0.00 O ATOM 1439 CB GLN A 103 0.069 10.373 8.551 1.00 0.00 C ATOM 1440 CG GLN A 103 1.350 10.610 9.336 1.00 0.00 C ATOM 1441 CD GLN A 103 1.963 11.969 9.063 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.832 12.517 7.969 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.639 12.519 10.056 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.291 9.464 7.235 1.00 0.00 O ATOM 0 H GLN A 103 0.060 7.886 7.312 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.647 8.945 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.298 10.388 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.620 11.196 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.140 10.519 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.073 9.833 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.724 12.031 10.948 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.076 13.432 9.931 1.00 0.00 H new TER 1451 GLN A 103