USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 612 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 60 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 MET CE :methyl 164:sc= -0.0681 (180deg=-0.417) USER MOD Set 2.2: A 30 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.112 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= -0.112 (180deg=-0.119) USER MOD Single : A 3 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 5 TYR OH : rot -88:sc= 0.086 USER MOD Single : A 6 TYR OH : rot 7:sc= -5.33! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.856 USER MOD Single : A 25 LYS NZ :NH3+ -124:sc= -0.0359 (180deg=-0.452) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -9.29! C(o=-9.3!,f=-8.1!) USER MOD Single : A 36 ASN : amide:sc= 0.822 K(o=0.82,f=-1.8) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 40 LYS NZ :NH3+ 140:sc= -0.334 (180deg=-1.46!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -0.452 (180deg=-2.22!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -164:sc= -3.51! USER MOD Single : A 57 THR OG1 : rot -24:sc= -0.0702 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0868 X(o=-0.087,f=-0.37) USER MOD Single : A 68 TYR OH : rot 80:sc= 0.88 USER MOD Single : A 70 HIS : no HD1:sc= -1.7! C(o=-1.7!,f=-5.8!) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 66.903 -16.217 -1.023 1.00 0.00 N ATOM 2 CA ALA A 1 65.955 -15.532 -0.099 1.00 0.00 C ATOM 3 C ALA A 1 65.269 -14.363 -0.810 1.00 0.00 C ATOM 4 O ALA A 1 65.617 -14.010 -1.920 1.00 0.00 O ATOM 5 CB ALA A 1 66.823 -15.022 1.052 1.00 0.00 C ATOM 0 H1 ALA A 1 66.564 -17.181 -1.216 1.00 0.00 H new ATOM 0 H2 ALA A 1 66.963 -15.686 -1.915 1.00 0.00 H new ATOM 0 H3 ALA A 1 67.844 -16.263 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 1 65.165 -16.199 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 1 66.197 -14.504 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 1 67.318 -15.864 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 1 67.574 -14.334 0.664 1.00 0.00 H new ATOM 13 N LYS A 2 64.299 -13.760 -0.181 1.00 0.00 N ATOM 14 CA LYS A 2 63.594 -12.615 -0.822 1.00 0.00 C ATOM 15 C LYS A 2 64.411 -11.333 -0.647 1.00 0.00 C ATOM 16 O LYS A 2 65.559 -11.366 -0.248 1.00 0.00 O ATOM 17 CB LYS A 2 62.259 -12.502 -0.082 1.00 0.00 C ATOM 18 CG LYS A 2 61.233 -13.433 -0.731 1.00 0.00 C ATOM 19 CD LYS A 2 61.249 -14.788 -0.020 1.00 0.00 C ATOM 20 CE LYS A 2 61.249 -15.911 -1.061 1.00 0.00 C ATOM 21 NZ LYS A 2 62.665 -16.022 -1.509 1.00 0.00 N ATOM 0 H LYS A 2 63.964 -14.011 0.749 1.00 0.00 H new ATOM 0 HA LYS A 2 63.453 -12.764 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 2 62.390 -12.764 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 2 61.901 -11.473 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 2 60.238 -12.992 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 2 61.462 -13.563 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 2 62.131 -14.867 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 2 60.379 -14.880 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 2 60.897 -16.848 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 2 60.588 -15.676 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 62.751 -16.795 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 62.960 -15.128 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 63.274 -16.220 -0.689 1.00 0.00 H new ATOM 35 N GLN A 3 63.830 -10.204 -0.942 1.00 0.00 N ATOM 36 CA GLN A 3 64.574 -8.921 -0.790 1.00 0.00 C ATOM 37 C GLN A 3 64.041 -8.144 0.416 1.00 0.00 C ATOM 38 O GLN A 3 63.260 -8.653 1.197 1.00 0.00 O ATOM 39 CB GLN A 3 64.311 -8.154 -2.086 1.00 0.00 C ATOM 40 CG GLN A 3 64.730 -9.016 -3.280 1.00 0.00 C ATOM 41 CD GLN A 3 65.651 -8.207 -4.195 1.00 0.00 C ATOM 42 OE1 GLN A 3 66.689 -8.685 -4.608 1.00 0.00 O ATOM 43 NE2 GLN A 3 65.314 -6.992 -4.531 1.00 0.00 N ATOM 0 H GLN A 3 62.873 -10.113 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 3 65.640 -9.077 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 3 63.254 -7.897 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 3 64.868 -7.217 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 3 65.242 -9.913 -2.932 1.00 0.00 H new ATOM 0 HG3 GLN A 3 63.849 -9.345 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 3 64.443 -6.590 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 3 65.922 -6.444 -5.140 1.00 0.00 H new ATOM 52 N ASP A 4 64.455 -6.918 0.578 1.00 0.00 N ATOM 53 CA ASP A 4 63.968 -6.113 1.741 1.00 0.00 C ATOM 54 C ASP A 4 63.407 -4.777 1.280 1.00 0.00 C ATOM 55 O ASP A 4 63.693 -4.295 0.202 1.00 0.00 O ATOM 56 CB ASP A 4 65.172 -5.890 2.679 1.00 0.00 C ATOM 57 CG ASP A 4 66.432 -6.583 2.142 1.00 0.00 C ATOM 58 OD1 ASP A 4 66.635 -7.738 2.480 1.00 0.00 O ATOM 59 OD2 ASP A 4 67.168 -5.948 1.406 1.00 0.00 O ATOM 0 H ASP A 4 65.108 -6.437 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 4 63.165 -6.641 2.256 1.00 0.00 H new ATOM 0 HB2 ASP A 4 65.359 -4.822 2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 4 64.938 -6.274 3.672 1.00 0.00 H new ATOM 64 N TYR A 5 62.590 -4.190 2.103 1.00 0.00 N ATOM 65 CA TYR A 5 61.964 -2.886 1.757 1.00 0.00 C ATOM 66 C TYR A 5 61.455 -2.240 3.046 1.00 0.00 C ATOM 67 O TYR A 5 61.892 -1.181 3.444 1.00 0.00 O ATOM 68 CB TYR A 5 60.801 -3.204 0.799 1.00 0.00 C ATOM 69 CG TYR A 5 60.730 -4.692 0.512 1.00 0.00 C ATOM 70 CD1 TYR A 5 60.181 -5.570 1.455 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.236 -5.189 -0.694 1.00 0.00 C ATOM 72 CE1 TYR A 5 60.138 -6.945 1.188 1.00 0.00 C ATOM 73 CE2 TYR A 5 61.191 -6.562 -0.962 1.00 0.00 C ATOM 74 CZ TYR A 5 60.641 -7.441 -0.021 1.00 0.00 C ATOM 75 OH TYR A 5 60.599 -8.794 -0.285 1.00 0.00 O ATOM 0 H TYR A 5 62.325 -4.563 3.015 1.00 0.00 H new ATOM 0 HA TYR A 5 62.661 -2.195 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 5 59.861 -2.868 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 5 60.932 -2.655 -0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.791 -5.188 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 5 61.662 -4.512 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 5 59.716 -7.623 1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.580 -6.943 -1.894 1.00 0.00 H new ATOM 0 HH TYR A 5 61.410 -9.221 0.063 1.00 0.00 H new ATOM 85 N TYR A 6 60.570 -2.891 3.739 1.00 0.00 N ATOM 86 CA TYR A 6 60.118 -2.316 5.023 1.00 0.00 C ATOM 87 C TYR A 6 61.337 -2.287 5.938 1.00 0.00 C ATOM 88 O TYR A 6 61.452 -1.472 6.831 1.00 0.00 O ATOM 89 CB TYR A 6 59.021 -3.238 5.516 1.00 0.00 C ATOM 90 CG TYR A 6 57.794 -2.960 4.683 1.00 0.00 C ATOM 91 CD1 TYR A 6 56.992 -1.851 4.980 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.468 -3.791 3.605 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.865 -1.575 4.202 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.341 -3.511 2.823 1.00 0.00 C ATOM 95 CZ TYR A 6 55.541 -2.403 3.126 1.00 0.00 C ATOM 96 OH TYR A 6 54.437 -2.122 2.357 1.00 0.00 O ATOM 0 H TYR A 6 60.148 -3.781 3.476 1.00 0.00 H new ATOM 0 HA TYR A 6 59.723 -1.302 4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.323 -4.281 5.419 1.00 0.00 H new ATOM 0 HB3 TYR A 6 58.817 -3.062 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.245 -1.209 5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.085 -4.647 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.245 -0.722 4.433 1.00 0.00 H new ATOM 0 HE2 TYR A 6 56.089 -4.148 1.988 1.00 0.00 H new ATOM 0 HH TYR A 6 54.061 -1.258 2.628 1.00 0.00 H new ATOM 106 N GLU A 7 62.287 -3.144 5.651 1.00 0.00 N ATOM 107 CA GLU A 7 63.556 -3.155 6.416 1.00 0.00 C ATOM 108 C GLU A 7 64.511 -2.182 5.718 1.00 0.00 C ATOM 109 O GLU A 7 65.356 -1.562 6.332 1.00 0.00 O ATOM 110 CB GLU A 7 64.076 -4.592 6.325 1.00 0.00 C ATOM 111 CG GLU A 7 63.354 -5.468 7.351 1.00 0.00 C ATOM 112 CD GLU A 7 63.146 -6.868 6.768 1.00 0.00 C ATOM 113 OE1 GLU A 7 64.060 -7.364 6.131 1.00 0.00 O ATOM 114 OE2 GLU A 7 62.076 -7.420 6.968 1.00 0.00 O ATOM 0 H GLU A 7 62.229 -3.841 4.909 1.00 0.00 H new ATOM 0 HA GLU A 7 63.448 -2.856 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.915 -4.984 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.150 -4.612 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 7 63.938 -5.528 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 7 62.393 -5.024 7.612 1.00 0.00 H new ATOM 121 N ILE A 8 64.349 -2.032 4.421 1.00 0.00 N ATOM 122 CA ILE A 8 65.210 -1.087 3.654 1.00 0.00 C ATOM 123 C ILE A 8 65.196 0.265 4.358 1.00 0.00 C ATOM 124 O ILE A 8 66.211 0.889 4.598 1.00 0.00 O ATOM 125 CB ILE A 8 64.548 -0.976 2.268 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.228 -1.970 1.314 1.00 0.00 C ATOM 127 CG2 ILE A 8 64.664 0.454 1.710 1.00 0.00 C ATOM 128 CD1 ILE A 8 64.883 -1.639 -0.145 1.00 0.00 C ATOM 0 H ILE A 8 63.653 -2.528 3.864 1.00 0.00 H new ATOM 0 HA ILE A 8 66.246 -1.418 3.576 1.00 0.00 H new ATOM 0 HB ILE A 8 63.488 -1.211 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.308 -1.937 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.907 -2.985 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 8 64.188 0.502 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 8 64.170 1.150 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 8 65.716 0.724 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.374 -2.354 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 8 63.804 -1.696 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 8 65.227 -0.632 -0.381 1.00 0.00 H new ATOM 140 N LEU A 9 64.017 0.706 4.665 1.00 0.00 N ATOM 141 CA LEU A 9 63.823 2.012 5.339 1.00 0.00 C ATOM 142 C LEU A 9 63.896 1.833 6.855 1.00 0.00 C ATOM 143 O LEU A 9 63.861 2.784 7.608 1.00 0.00 O ATOM 144 CB LEU A 9 62.408 2.406 4.916 1.00 0.00 C ATOM 145 CG LEU A 9 62.360 2.838 3.441 1.00 0.00 C ATOM 146 CD1 LEU A 9 63.686 3.463 2.986 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.027 1.633 2.551 1.00 0.00 C ATOM 0 H LEU A 9 63.153 0.200 4.471 1.00 0.00 H new ATOM 0 HA LEU A 9 64.575 2.757 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.733 1.564 5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.052 3.221 5.547 1.00 0.00 H new ATOM 0 HG LEU A 9 61.581 3.595 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 9 63.610 3.755 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 9 63.901 4.343 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 9 64.490 2.736 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 9 61.995 1.949 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 9 62.792 0.867 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 9 61.057 1.227 2.837 1.00 0.00 H new ATOM 159 N GLY A 10 63.980 0.615 7.308 1.00 0.00 N ATOM 160 CA GLY A 10 64.036 0.374 8.772 1.00 0.00 C ATOM 161 C GLY A 10 62.631 0.531 9.347 1.00 0.00 C ATOM 162 O GLY A 10 62.447 0.623 10.545 1.00 0.00 O ATOM 0 H GLY A 10 64.012 -0.223 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.418 -0.626 8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.719 1.079 9.245 1.00 0.00 H new ATOM 166 N VAL A 11 61.633 0.566 8.502 1.00 0.00 N ATOM 167 CA VAL A 11 60.239 0.721 9.021 1.00 0.00 C ATOM 168 C VAL A 11 59.628 -0.648 9.308 1.00 0.00 C ATOM 169 O VAL A 11 60.275 -1.671 9.189 1.00 0.00 O ATOM 170 CB VAL A 11 59.398 1.413 7.934 1.00 0.00 C ATOM 171 CG1 VAL A 11 58.672 2.605 8.537 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.242 1.902 6.765 1.00 0.00 C ATOM 0 H VAL A 11 61.719 0.495 7.488 1.00 0.00 H new ATOM 0 HA VAL A 11 60.255 1.306 9.940 1.00 0.00 H new ATOM 0 HB VAL A 11 58.694 0.672 7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.076 3.096 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.018 2.265 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.400 3.311 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.599 2.382 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.980 2.619 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 11 60.752 1.055 6.305 1.00 0.00 H new ATOM 182 N SER A 12 58.376 -0.671 9.668 1.00 0.00 N ATOM 183 CA SER A 12 57.701 -1.965 9.945 1.00 0.00 C ATOM 184 C SER A 12 57.171 -2.558 8.646 1.00 0.00 C ATOM 185 O SER A 12 56.770 -1.847 7.749 1.00 0.00 O ATOM 186 CB SER A 12 56.551 -1.623 10.894 1.00 0.00 C ATOM 187 OG SER A 12 56.534 -2.558 11.965 1.00 0.00 O ATOM 0 H SER A 12 57.790 0.156 9.782 1.00 0.00 H new ATOM 0 HA SER A 12 58.375 -2.702 10.382 1.00 0.00 H new ATOM 0 HB2 SER A 12 56.672 -0.611 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.602 -1.648 10.358 1.00 0.00 H new ATOM 0 HG SER A 12 55.800 -2.342 12.577 1.00 0.00 H new ATOM 193 N LYS A 13 57.156 -3.857 8.531 1.00 0.00 N ATOM 194 CA LYS A 13 56.635 -4.464 7.282 1.00 0.00 C ATOM 195 C LYS A 13 55.271 -3.857 6.972 1.00 0.00 C ATOM 196 O LYS A 13 54.814 -3.857 5.847 1.00 0.00 O ATOM 197 CB LYS A 13 56.542 -5.955 7.557 1.00 0.00 C ATOM 198 CG LYS A 13 55.517 -6.220 8.663 1.00 0.00 C ATOM 199 CD LYS A 13 56.214 -6.860 9.866 1.00 0.00 C ATOM 200 CE LYS A 13 55.189 -7.637 10.696 1.00 0.00 C ATOM 201 NZ LYS A 13 55.294 -9.049 10.226 1.00 0.00 N ATOM 0 H LYS A 13 57.479 -4.515 9.240 1.00 0.00 H new ATOM 0 HA LYS A 13 57.273 -4.280 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.254 -6.484 6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.518 -6.340 7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.039 -5.287 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 13 54.730 -6.878 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 13 57.006 -7.528 9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 13 56.686 -6.091 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 55.405 -7.560 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 13 54.183 -7.246 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 54.619 -9.641 10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.076 -9.094 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.260 -9.398 10.388 1.00 0.00 H new ATOM 215 N THR A 14 54.636 -3.317 7.971 1.00 0.00 N ATOM 216 CA THR A 14 53.315 -2.673 7.765 1.00 0.00 C ATOM 217 C THR A 14 53.462 -1.168 8.013 1.00 0.00 C ATOM 218 O THR A 14 52.510 -0.484 8.325 1.00 0.00 O ATOM 219 CB THR A 14 52.393 -3.319 8.802 1.00 0.00 C ATOM 220 OG1 THR A 14 52.609 -2.711 10.069 1.00 0.00 O ATOM 221 CG2 THR A 14 52.696 -4.819 8.890 1.00 0.00 C ATOM 0 H THR A 14 54.980 -3.295 8.931 1.00 0.00 H new ATOM 0 HA THR A 14 52.920 -2.803 6.758 1.00 0.00 H new ATOM 0 HB THR A 14 51.353 -3.178 8.506 1.00 0.00 H new ATOM 0 HG1 THR A 14 52.018 -3.122 10.734 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.040 -5.280 9.628 1.00 0.00 H new ATOM 0 HG22 THR A 14 52.529 -5.282 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 14 53.735 -4.964 9.187 1.00 0.00 H new ATOM 229 N ALA A 15 54.671 -0.667 7.888 1.00 0.00 N ATOM 230 CA ALA A 15 54.951 0.777 8.111 1.00 0.00 C ATOM 231 C ALA A 15 54.001 1.697 7.326 1.00 0.00 C ATOM 232 O ALA A 15 52.809 1.485 7.254 1.00 0.00 O ATOM 233 CB ALA A 15 56.369 0.923 7.586 1.00 0.00 C ATOM 0 H ALA A 15 55.490 -1.219 7.634 1.00 0.00 H new ATOM 0 HA ALA A 15 54.819 1.064 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 15 56.693 1.958 7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.035 0.271 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.397 0.645 6.532 1.00 0.00 H new ATOM 239 N GLU A 16 54.546 2.729 6.746 1.00 0.00 N ATOM 240 CA GLU A 16 53.732 3.699 5.964 1.00 0.00 C ATOM 241 C GLU A 16 54.640 4.422 4.964 1.00 0.00 C ATOM 242 O GLU A 16 55.652 4.987 5.326 1.00 0.00 O ATOM 243 CB GLU A 16 53.182 4.683 6.998 1.00 0.00 C ATOM 244 CG GLU A 16 51.836 4.177 7.516 1.00 0.00 C ATOM 245 CD GLU A 16 51.886 4.065 9.041 1.00 0.00 C ATOM 246 OE1 GLU A 16 52.866 3.540 9.544 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.946 4.507 9.679 1.00 0.00 O ATOM 0 H GLU A 16 55.542 2.945 6.782 1.00 0.00 H new ATOM 0 HA GLU A 16 52.930 3.223 5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.885 4.790 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.064 5.670 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.040 4.858 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.607 3.206 7.077 1.00 0.00 H new ATOM 254 N GLU A 17 54.291 4.392 3.713 1.00 0.00 N ATOM 255 CA GLU A 17 55.131 5.056 2.671 1.00 0.00 C ATOM 256 C GLU A 17 55.733 6.378 3.175 1.00 0.00 C ATOM 257 O GLU A 17 56.758 6.817 2.695 1.00 0.00 O ATOM 258 CB GLU A 17 54.173 5.322 1.509 1.00 0.00 C ATOM 259 CG GLU A 17 53.160 6.392 1.916 1.00 0.00 C ATOM 260 CD GLU A 17 52.079 6.502 0.841 1.00 0.00 C ATOM 261 OE1 GLU A 17 51.999 5.607 0.014 1.00 0.00 O ATOM 262 OE2 GLU A 17 51.348 7.479 0.861 1.00 0.00 O ATOM 0 H GLU A 17 53.452 3.932 3.359 1.00 0.00 H new ATOM 0 HA GLU A 17 55.978 4.430 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.731 5.650 0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.656 4.403 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.710 6.136 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.660 7.352 2.044 1.00 0.00 H new ATOM 269 N ARG A 18 55.107 7.028 4.121 1.00 0.00 N ATOM 270 CA ARG A 18 55.660 8.327 4.615 1.00 0.00 C ATOM 271 C ARG A 18 56.859 8.108 5.542 1.00 0.00 C ATOM 272 O ARG A 18 57.686 8.980 5.715 1.00 0.00 O ATOM 273 CB ARG A 18 54.509 8.991 5.367 1.00 0.00 C ATOM 274 CG ARG A 18 53.989 8.043 6.449 1.00 0.00 C ATOM 275 CD ARG A 18 54.358 8.595 7.829 1.00 0.00 C ATOM 276 NE ARG A 18 53.137 8.399 8.658 1.00 0.00 N ATOM 277 CZ ARG A 18 52.943 9.138 9.717 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.670 8.951 10.784 1.00 0.00 N ATOM 279 NH2 ARG A 18 52.023 10.064 9.707 1.00 0.00 N ATOM 0 H ARG A 18 54.245 6.721 4.570 1.00 0.00 H new ATOM 0 HA ARG A 18 56.024 8.944 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.846 9.924 5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.706 9.244 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.907 7.936 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.419 7.050 6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.212 8.065 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.633 9.648 7.773 1.00 0.00 H new ATOM 0 HE ARG A 18 52.453 7.688 8.399 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.389 8.228 10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.519 9.528 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.456 10.210 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.871 10.641 10.534 1.00 0.00 H new ATOM 293 N GLU A 19 56.977 6.947 6.112 1.00 0.00 N ATOM 294 CA GLU A 19 58.141 6.664 6.993 1.00 0.00 C ATOM 295 C GLU A 19 59.149 5.847 6.191 1.00 0.00 C ATOM 296 O GLU A 19 60.312 5.761 6.532 1.00 0.00 O ATOM 297 CB GLU A 19 57.633 5.869 8.213 1.00 0.00 C ATOM 298 CG GLU A 19 56.230 5.298 7.981 1.00 0.00 C ATOM 299 CD GLU A 19 55.684 4.742 9.296 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.187 3.725 9.744 1.00 0.00 O ATOM 301 OE2 GLU A 19 54.769 5.344 9.835 1.00 0.00 O ATOM 0 H GLU A 19 56.316 6.177 6.006 1.00 0.00 H new ATOM 0 HA GLU A 19 58.621 7.579 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.325 5.055 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.620 6.518 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.568 6.075 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.266 4.511 7.228 1.00 0.00 H new ATOM 308 N ILE A 20 58.713 5.283 5.092 1.00 0.00 N ATOM 309 CA ILE A 20 59.651 4.516 4.230 1.00 0.00 C ATOM 310 C ILE A 20 60.336 5.527 3.315 1.00 0.00 C ATOM 311 O ILE A 20 61.545 5.648 3.292 1.00 0.00 O ATOM 312 CB ILE A 20 58.776 3.521 3.444 1.00 0.00 C ATOM 313 CG1 ILE A 20 58.876 2.139 4.094 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.260 3.414 1.993 1.00 0.00 C ATOM 315 CD1 ILE A 20 57.848 2.021 5.222 1.00 0.00 C ATOM 0 H ILE A 20 57.750 5.323 4.759 1.00 0.00 H new ATOM 0 HA ILE A 20 60.421 3.969 4.774 1.00 0.00 H new ATOM 0 HB ILE A 20 57.746 3.876 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 20 58.702 1.363 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 20 59.881 1.984 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.632 2.707 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.200 4.392 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.293 3.066 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.923 1.035 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.042 2.787 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 20 56.845 2.156 4.816 1.00 0.00 H new ATOM 327 N ARG A 21 59.562 6.292 2.597 1.00 0.00 N ATOM 328 CA ARG A 21 60.164 7.333 1.731 1.00 0.00 C ATOM 329 C ARG A 21 61.047 8.211 2.613 1.00 0.00 C ATOM 330 O ARG A 21 61.982 8.842 2.165 1.00 0.00 O ATOM 331 CB ARG A 21 58.976 8.131 1.193 1.00 0.00 C ATOM 332 CG ARG A 21 58.318 8.895 2.344 1.00 0.00 C ATOM 333 CD ARG A 21 59.070 10.206 2.587 1.00 0.00 C ATOM 334 NE ARG A 21 58.010 11.242 2.731 1.00 0.00 N ATOM 335 CZ ARG A 21 57.126 11.407 1.786 1.00 0.00 C ATOM 336 NH1 ARG A 21 57.470 11.257 0.536 1.00 0.00 N ATOM 337 NH2 ARG A 21 55.897 11.723 2.092 1.00 0.00 N ATOM 0 H ARG A 21 58.544 6.239 2.575 1.00 0.00 H new ATOM 0 HA ARG A 21 60.771 6.937 0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.309 8.827 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.254 7.461 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.274 9.101 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.325 8.287 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.687 10.146 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.737 10.437 1.756 1.00 0.00 H new ATOM 0 HE ARG A 21 57.975 11.823 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.431 11.011 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 21 56.778 11.386 -0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 21 55.629 11.841 3.069 1.00 0.00 H new ATOM 0 HH22 ARG A 21 55.205 11.852 1.354 1.00 0.00 H new ATOM 351 N LYS A 22 60.731 8.239 3.878 1.00 0.00 N ATOM 352 CA LYS A 22 61.501 9.055 4.850 1.00 0.00 C ATOM 353 C LYS A 22 62.813 8.357 5.237 1.00 0.00 C ATOM 354 O LYS A 22 63.879 8.937 5.173 1.00 0.00 O ATOM 355 CB LYS A 22 60.575 9.153 6.065 1.00 0.00 C ATOM 356 CG LYS A 22 61.365 9.653 7.283 1.00 0.00 C ATOM 357 CD LYS A 22 62.289 10.810 6.881 1.00 0.00 C ATOM 358 CE LYS A 22 61.457 12.074 6.653 1.00 0.00 C ATOM 359 NZ LYS A 22 62.455 13.153 6.412 1.00 0.00 N ATOM 0 H LYS A 22 59.954 7.718 4.284 1.00 0.00 H new ATOM 0 HA LYS A 22 61.780 10.028 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.750 9.833 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.137 8.178 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.676 9.982 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.954 8.837 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.030 10.985 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.836 10.554 5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.788 11.958 5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.834 12.298 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 61.960 14.053 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.074 13.245 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.029 12.915 5.578 1.00 0.00 H new ATOM 373 N ALA A 23 62.740 7.122 5.646 1.00 0.00 N ATOM 374 CA ALA A 23 63.974 6.386 6.049 1.00 0.00 C ATOM 375 C ALA A 23 65.060 6.574 4.994 1.00 0.00 C ATOM 376 O ALA A 23 66.228 6.711 5.302 1.00 0.00 O ATOM 377 CB ALA A 23 63.552 4.925 6.122 1.00 0.00 C ATOM 0 H ALA A 23 61.875 6.586 5.719 1.00 0.00 H new ATOM 0 HA ALA A 23 64.381 6.742 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.406 4.314 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.757 4.812 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.191 4.601 5.146 1.00 0.00 H new ATOM 383 N TYR A 24 64.678 6.603 3.751 1.00 0.00 N ATOM 384 CA TYR A 24 65.671 6.808 2.671 1.00 0.00 C ATOM 385 C TYR A 24 65.993 8.289 2.626 1.00 0.00 C ATOM 386 O TYR A 24 67.130 8.699 2.570 1.00 0.00 O ATOM 387 CB TYR A 24 64.957 6.366 1.395 1.00 0.00 C ATOM 388 CG TYR A 24 65.928 6.380 0.233 1.00 0.00 C ATOM 389 CD1 TYR A 24 67.269 6.018 0.425 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.483 6.760 -1.040 1.00 0.00 C ATOM 391 CE1 TYR A 24 68.161 6.039 -0.655 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.376 6.779 -2.118 1.00 0.00 C ATOM 393 CZ TYR A 24 67.714 6.419 -1.925 1.00 0.00 C ATOM 394 OH TYR A 24 68.594 6.439 -2.990 1.00 0.00 O ATOM 0 H TYR A 24 63.714 6.493 3.437 1.00 0.00 H new ATOM 0 HA TYR A 24 66.601 6.256 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.546 5.365 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 24 64.118 7.030 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.614 5.723 1.405 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.450 7.038 -1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 24 69.194 5.762 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 24 66.032 7.072 -3.099 1.00 0.00 H new ATOM 0 HH TYR A 24 68.121 6.725 -3.800 1.00 0.00 H new ATOM 404 N LYS A 25 64.975 9.091 2.685 1.00 0.00 N ATOM 405 CA LYS A 25 65.171 10.556 2.685 1.00 0.00 C ATOM 406 C LYS A 25 66.161 10.938 3.786 1.00 0.00 C ATOM 407 O LYS A 25 66.848 11.936 3.702 1.00 0.00 O ATOM 408 CB LYS A 25 63.783 11.095 3.003 1.00 0.00 C ATOM 409 CG LYS A 25 63.240 11.871 1.804 1.00 0.00 C ATOM 410 CD LYS A 25 61.873 11.303 1.424 1.00 0.00 C ATOM 411 CE LYS A 25 61.073 12.351 0.647 1.00 0.00 C ATOM 412 NZ LYS A 25 60.600 13.320 1.676 1.00 0.00 N ATOM 0 H LYS A 25 64.002 8.787 2.734 1.00 0.00 H new ATOM 0 HA LYS A 25 65.571 10.946 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.112 10.273 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.827 11.744 3.878 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.154 12.930 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.928 11.793 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 25 61.998 10.405 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.329 11.009 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 25 61.692 12.843 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 25 60.235 11.896 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 59.564 13.399 1.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 60.879 12.987 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.027 14.252 1.498 1.00 0.00 H new ATOM 426 N ARG A 26 66.232 10.144 4.822 1.00 0.00 N ATOM 427 CA ARG A 26 67.166 10.447 5.943 1.00 0.00 C ATOM 428 C ARG A 26 68.582 9.951 5.616 1.00 0.00 C ATOM 429 O ARG A 26 69.551 10.667 5.767 1.00 0.00 O ATOM 430 CB ARG A 26 66.600 9.686 7.143 1.00 0.00 C ATOM 431 CG ARG A 26 65.255 10.295 7.545 1.00 0.00 C ATOM 432 CD ARG A 26 65.381 10.942 8.927 1.00 0.00 C ATOM 433 NE ARG A 26 65.040 9.860 9.892 1.00 0.00 N ATOM 434 CZ ARG A 26 63.842 9.795 10.406 1.00 0.00 C ATOM 435 NH1 ARG A 26 63.392 10.777 11.137 1.00 0.00 N ATOM 436 NH2 ARG A 26 63.097 8.746 10.188 1.00 0.00 N ATOM 0 H ARG A 26 65.680 9.295 4.939 1.00 0.00 H new ATOM 0 HA ARG A 26 67.244 11.518 6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.474 8.633 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.297 9.734 7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 26 64.946 11.039 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.485 9.524 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 26 66.390 11.318 9.096 1.00 0.00 H new ATOM 0 HD3 ARG A 26 64.704 11.790 9.029 1.00 0.00 H new ATOM 0 HE ARG A 26 65.744 9.169 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 26 63.976 11.596 11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 26 62.456 10.726 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 26 63.451 7.979 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 26 62.161 8.693 10.589 1.00 0.00 H new ATOM 450 N LEU A 27 68.708 8.730 5.169 1.00 0.00 N ATOM 451 CA LEU A 27 70.057 8.197 4.829 1.00 0.00 C ATOM 452 C LEU A 27 70.476 8.718 3.462 1.00 0.00 C ATOM 453 O LEU A 27 71.630 8.994 3.208 1.00 0.00 O ATOM 454 CB LEU A 27 69.902 6.672 4.815 1.00 0.00 C ATOM 455 CG LEU A 27 69.248 6.208 3.511 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.304 6.131 2.406 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.632 4.824 3.720 1.00 0.00 C ATOM 0 H LEU A 27 67.935 8.080 5.025 1.00 0.00 H new ATOM 0 HA LEU A 27 70.823 8.506 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.879 6.201 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.297 6.355 5.664 1.00 0.00 H new ATOM 0 HG LEU A 27 68.472 6.917 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.837 5.800 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.748 7.115 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 27 71.081 5.422 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.165 4.490 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.411 4.119 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.880 4.876 4.507 1.00 0.00 H new ATOM 469 N ALA A 28 69.528 8.855 2.585 1.00 0.00 N ATOM 470 CA ALA A 28 69.825 9.355 1.227 1.00 0.00 C ATOM 471 C ALA A 28 70.220 10.824 1.298 1.00 0.00 C ATOM 472 O ALA A 28 71.204 11.236 0.717 1.00 0.00 O ATOM 473 CB ALA A 28 68.515 9.161 0.473 1.00 0.00 C ATOM 0 H ALA A 28 68.546 8.638 2.757 1.00 0.00 H new ATOM 0 HA ALA A 28 70.653 8.840 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.632 9.505 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.248 8.104 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.727 9.735 0.960 1.00 0.00 H new ATOM 479 N MET A 29 69.490 11.618 2.031 1.00 0.00 N ATOM 480 CA MET A 29 69.890 13.044 2.144 1.00 0.00 C ATOM 481 C MET A 29 71.259 13.076 2.815 1.00 0.00 C ATOM 482 O MET A 29 72.043 13.986 2.628 1.00 0.00 O ATOM 483 CB MET A 29 68.822 13.721 3.008 1.00 0.00 C ATOM 484 CG MET A 29 68.959 13.264 4.458 1.00 0.00 C ATOM 485 SD MET A 29 67.578 13.922 5.429 1.00 0.00 S ATOM 486 CE MET A 29 68.560 14.689 6.738 1.00 0.00 C ATOM 0 H MET A 29 68.652 11.348 2.546 1.00 0.00 H new ATOM 0 HA MET A 29 69.961 13.557 1.185 1.00 0.00 H new ATOM 0 HB2 MET A 29 68.926 14.804 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.829 13.475 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.967 12.175 4.509 1.00 0.00 H new ATOM 0 HG3 MET A 29 69.906 13.610 4.872 1.00 0.00 H new ATOM 0 HE1 MET A 29 67.939 15.392 7.294 1.00 0.00 H new ATOM 0 HE2 MET A 29 68.930 13.918 7.414 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.403 15.220 6.297 1.00 0.00 H new ATOM 496 N LYS A 30 71.558 12.050 3.569 1.00 0.00 N ATOM 497 CA LYS A 30 72.885 11.961 4.234 1.00 0.00 C ATOM 498 C LYS A 30 73.871 11.285 3.276 1.00 0.00 C ATOM 499 O LYS A 30 75.072 11.423 3.396 1.00 0.00 O ATOM 500 CB LYS A 30 72.649 11.097 5.474 1.00 0.00 C ATOM 501 CG LYS A 30 72.734 11.968 6.729 1.00 0.00 C ATOM 502 CD LYS A 30 71.450 11.814 7.548 1.00 0.00 C ATOM 503 CE LYS A 30 71.724 12.200 9.003 1.00 0.00 C ATOM 504 NZ LYS A 30 70.381 12.462 9.593 1.00 0.00 N ATOM 0 H LYS A 30 70.932 11.266 3.752 1.00 0.00 H new ATOM 0 HA LYS A 30 73.299 12.933 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 30 71.671 10.619 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.391 10.300 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.597 11.677 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.877 13.012 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.664 12.446 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.093 10.786 7.494 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.238 11.399 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 30 72.361 13.083 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 70.464 12.532 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 70.004 13.354 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.737 11.683 9.350 1.00 0.00 H new ATOM 518 N TYR A 31 73.358 10.562 2.312 1.00 0.00 N ATOM 519 CA TYR A 31 74.247 9.882 1.325 1.00 0.00 C ATOM 520 C TYR A 31 74.222 10.632 -0.002 1.00 0.00 C ATOM 521 O TYR A 31 74.774 10.197 -0.992 1.00 0.00 O ATOM 522 CB TYR A 31 73.674 8.478 1.161 1.00 0.00 C ATOM 523 CG TYR A 31 74.452 7.531 2.037 1.00 0.00 C ATOM 524 CD1 TYR A 31 74.758 7.898 3.351 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.872 6.294 1.538 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.485 7.029 4.169 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.599 5.421 2.357 1.00 0.00 C ATOM 528 CZ TYR A 31 75.905 5.789 3.674 1.00 0.00 C ATOM 529 OH TYR A 31 76.622 4.931 4.482 1.00 0.00 O ATOM 0 H TYR A 31 72.359 10.414 2.167 1.00 0.00 H new ATOM 0 HA TYR A 31 75.285 9.853 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.619 8.466 1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.735 8.165 0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.432 8.854 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 31 74.636 6.012 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 31 75.723 7.314 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 31 75.924 4.465 1.974 1.00 0.00 H new ATOM 0 HH TYR A 31 76.834 4.114 3.984 1.00 0.00 H new ATOM 539 N HIS A 32 73.581 11.760 -0.001 1.00 0.00 N ATOM 540 CA HIS A 32 73.483 12.622 -1.209 1.00 0.00 C ATOM 541 C HIS A 32 74.888 12.925 -1.763 1.00 0.00 C ATOM 542 O HIS A 32 75.765 12.097 -1.636 1.00 0.00 O ATOM 543 CB HIS A 32 72.757 13.829 -0.630 1.00 0.00 C ATOM 544 CG HIS A 32 73.674 14.509 0.353 1.00 0.00 C ATOM 545 ND1 HIS A 32 73.755 15.884 0.467 1.00 0.00 N ATOM 546 CD2 HIS A 32 74.556 14.002 1.277 1.00 0.00 C ATOM 547 CE1 HIS A 32 74.656 16.160 1.429 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.175 15.047 1.955 1.00 0.00 N ATOM 0 H HIS A 32 73.102 12.136 0.818 1.00 0.00 H new ATOM 0 HA HIS A 32 72.965 12.199 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 32 72.475 14.519 -1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.836 13.517 -0.137 1.00 0.00 H new ATOM 0 HD1 HIS A 32 73.228 16.566 -0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 32 74.740 12.952 1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 32 74.926 17.159 1.738 1.00 0.00 H new ATOM 556 N PRO A 33 75.101 14.062 -2.386 1.00 0.00 N ATOM 557 CA PRO A 33 76.444 14.328 -2.947 1.00 0.00 C ATOM 558 C PRO A 33 77.481 14.518 -1.836 1.00 0.00 C ATOM 559 O PRO A 33 78.269 15.443 -1.848 1.00 0.00 O ATOM 560 CB PRO A 33 76.250 15.582 -3.791 1.00 0.00 C ATOM 561 CG PRO A 33 75.049 16.250 -3.218 1.00 0.00 C ATOM 562 CD PRO A 33 74.182 15.182 -2.626 1.00 0.00 C ATOM 0 HA PRO A 33 76.830 13.500 -3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.124 16.231 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.099 15.332 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.339 16.974 -2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.509 16.798 -3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 33 73.713 15.517 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 33 73.379 14.899 -3.306 1.00 0.00 H new ATOM 570 N ASP A 34 77.508 13.606 -0.898 1.00 0.00 N ATOM 571 CA ASP A 34 78.513 13.666 0.194 1.00 0.00 C ATOM 572 C ASP A 34 79.585 12.633 -0.149 1.00 0.00 C ATOM 573 O ASP A 34 80.772 12.869 -0.031 1.00 0.00 O ATOM 574 CB ASP A 34 77.732 13.297 1.475 1.00 0.00 C ATOM 575 CG ASP A 34 78.331 12.058 2.155 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.516 12.081 2.446 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.594 11.109 2.369 1.00 0.00 O ATOM 0 H ASP A 34 76.867 12.815 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 34 78.999 14.633 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 34 77.747 14.138 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.688 13.109 1.225 1.00 0.00 H new ATOM 582 N ARG A 35 79.146 11.487 -0.594 1.00 0.00 N ATOM 583 CA ARG A 35 80.085 10.410 -0.983 1.00 0.00 C ATOM 584 C ARG A 35 79.553 9.697 -2.234 1.00 0.00 C ATOM 585 O ARG A 35 80.312 9.169 -3.021 1.00 0.00 O ATOM 586 CB ARG A 35 80.102 9.459 0.212 1.00 0.00 C ATOM 587 CG ARG A 35 78.681 8.967 0.481 1.00 0.00 C ATOM 588 CD ARG A 35 78.336 7.852 -0.504 1.00 0.00 C ATOM 589 NE ARG A 35 78.172 6.635 0.336 1.00 0.00 N ATOM 590 CZ ARG A 35 79.128 6.273 1.147 1.00 0.00 C ATOM 591 NH1 ARG A 35 80.244 5.798 0.667 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.969 6.388 2.438 1.00 0.00 N ATOM 0 H ARG A 35 78.159 11.253 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 35 81.082 10.780 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.760 8.614 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.496 9.968 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.598 8.602 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.974 9.790 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.422 8.079 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 35 79.127 7.719 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 35 77.315 6.085 0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.369 5.710 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.992 5.515 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.097 6.761 2.813 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.717 6.105 3.071 1.00 0.00 H new ATOM 606 N ASN A 36 78.251 9.668 -2.424 1.00 0.00 N ATOM 607 CA ASN A 36 77.687 8.982 -3.619 1.00 0.00 C ATOM 608 C ASN A 36 78.493 9.352 -4.857 1.00 0.00 C ATOM 609 O ASN A 36 78.648 8.567 -5.773 1.00 0.00 O ATOM 610 CB ASN A 36 76.264 9.516 -3.739 1.00 0.00 C ATOM 611 CG ASN A 36 75.269 8.365 -3.577 1.00 0.00 C ATOM 612 OD1 ASN A 36 75.232 7.462 -4.388 1.00 0.00 O ATOM 613 ND2 ASN A 36 74.455 8.362 -2.559 1.00 0.00 N ATOM 0 H ASN A 36 77.563 10.090 -1.801 1.00 0.00 H new ATOM 0 HA ASN A 36 77.713 7.896 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.084 10.275 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 36 76.125 9.996 -4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.786 7.601 -2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 36 74.487 9.121 -1.878 1.00 0.00 H new ATOM 620 N GLN A 37 79.006 10.548 -4.893 1.00 0.00 N ATOM 621 CA GLN A 37 79.800 10.975 -6.072 1.00 0.00 C ATOM 622 C GLN A 37 81.054 10.108 -6.203 1.00 0.00 C ATOM 623 O GLN A 37 81.745 10.144 -7.201 1.00 0.00 O ATOM 624 CB GLN A 37 80.168 12.434 -5.793 1.00 0.00 C ATOM 625 CG GLN A 37 78.908 13.211 -5.406 1.00 0.00 C ATOM 626 CD GLN A 37 78.530 14.169 -6.537 1.00 0.00 C ATOM 627 OE1 GLN A 37 78.321 13.751 -7.659 1.00 0.00 O ATOM 628 NE2 GLN A 37 78.432 15.446 -6.286 1.00 0.00 N ATOM 0 H GLN A 37 78.909 11.247 -4.157 1.00 0.00 H new ATOM 0 HA GLN A 37 79.249 10.871 -7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 37 80.903 12.488 -4.990 1.00 0.00 H new ATOM 0 HB3 GLN A 37 80.627 12.880 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 37 78.088 12.520 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 37 79.080 13.769 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 37 78.608 15.796 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 37 78.180 16.094 -7.032 1.00 0.00 H new ATOM 637 N GLY A 38 81.347 9.324 -5.203 1.00 0.00 N ATOM 638 CA GLY A 38 82.547 8.446 -5.267 1.00 0.00 C ATOM 639 C GLY A 38 82.144 7.023 -4.884 1.00 0.00 C ATOM 640 O GLY A 38 82.970 6.204 -4.538 1.00 0.00 O ATOM 0 H GLY A 38 80.805 9.254 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.970 8.460 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 38 83.319 8.814 -4.591 1.00 0.00 H new ATOM 644 N ASP A 39 80.873 6.726 -4.943 1.00 0.00 N ATOM 645 CA ASP A 39 80.410 5.355 -4.578 1.00 0.00 C ATOM 646 C ASP A 39 79.621 4.734 -5.735 1.00 0.00 C ATOM 647 O ASP A 39 78.504 5.121 -6.017 1.00 0.00 O ATOM 648 CB ASP A 39 79.508 5.546 -3.359 1.00 0.00 C ATOM 649 CG ASP A 39 78.948 4.191 -2.922 1.00 0.00 C ATOM 650 OD1 ASP A 39 79.721 3.381 -2.436 1.00 0.00 O ATOM 651 OD2 ASP A 39 77.756 3.985 -3.081 1.00 0.00 O ATOM 0 H ASP A 39 80.137 7.372 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 39 81.244 4.686 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 39 80.072 5.999 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 78.693 6.228 -3.600 1.00 0.00 H new ATOM 656 N LYS A 40 80.186 3.756 -6.388 1.00 0.00 N ATOM 657 CA LYS A 40 79.468 3.087 -7.505 1.00 0.00 C ATOM 658 C LYS A 40 78.673 1.931 -6.918 1.00 0.00 C ATOM 659 O LYS A 40 78.024 2.104 -5.916 1.00 0.00 O ATOM 660 CB LYS A 40 80.572 2.591 -8.443 1.00 0.00 C ATOM 661 CG LYS A 40 81.392 3.779 -8.948 1.00 0.00 C ATOM 662 CD LYS A 40 81.187 3.936 -10.457 1.00 0.00 C ATOM 663 CE LYS A 40 82.505 4.360 -11.113 1.00 0.00 C ATOM 664 NZ LYS A 40 83.434 3.218 -10.883 1.00 0.00 N ATOM 0 H LYS A 40 81.118 3.391 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 40 78.773 3.734 -8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.219 1.887 -7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 40 80.134 2.055 -9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 40 81.088 4.690 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 82.448 3.625 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.841 2.996 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.415 4.680 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.372 4.553 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.890 5.278 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.008 3.060 -11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.059 3.435 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.885 2.361 -10.672 1.00 0.00 H new ATOM 678 N GLU A 41 78.769 0.764 -7.515 1.00 0.00 N ATOM 679 CA GLU A 41 78.080 -0.472 -6.996 1.00 0.00 C ATOM 680 C GLU A 41 77.124 -0.180 -5.837 1.00 0.00 C ATOM 681 O GLU A 41 75.922 -0.302 -5.965 1.00 0.00 O ATOM 682 CB GLU A 41 79.228 -1.364 -6.504 1.00 0.00 C ATOM 683 CG GLU A 41 80.432 -0.495 -6.107 1.00 0.00 C ATOM 684 CD GLU A 41 81.323 -1.257 -5.124 1.00 0.00 C ATOM 685 OE1 GLU A 41 80.844 -2.215 -4.540 1.00 0.00 O ATOM 686 OE2 GLU A 41 82.469 -0.867 -4.971 1.00 0.00 O ATOM 0 H GLU A 41 79.311 0.610 -8.365 1.00 0.00 H new ATOM 0 HA GLU A 41 77.465 -0.927 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 41 78.899 -1.957 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 41 79.517 -2.065 -7.287 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.004 -0.224 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 41 80.087 0.434 -5.653 1.00 0.00 H new ATOM 693 N ALA A 42 77.647 0.219 -4.705 1.00 0.00 N ATOM 694 CA ALA A 42 76.761 0.532 -3.550 1.00 0.00 C ATOM 695 C ALA A 42 75.593 1.391 -4.026 1.00 0.00 C ATOM 696 O ALA A 42 74.538 1.412 -3.424 1.00 0.00 O ATOM 697 CB ALA A 42 77.642 1.310 -2.574 1.00 0.00 C ATOM 0 H ALA A 42 78.645 0.340 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 42 76.341 -0.360 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 42 77.060 1.578 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.488 0.691 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 42 78.008 2.216 -3.057 1.00 0.00 H new ATOM 703 N GLU A 43 75.774 2.098 -5.110 1.00 0.00 N ATOM 704 CA GLU A 43 74.667 2.954 -5.630 1.00 0.00 C ATOM 705 C GLU A 43 73.355 2.216 -5.554 1.00 0.00 C ATOM 706 O GLU A 43 72.329 2.761 -5.201 1.00 0.00 O ATOM 707 CB GLU A 43 74.960 3.167 -7.103 1.00 0.00 C ATOM 708 CG GLU A 43 73.795 3.935 -7.733 1.00 0.00 C ATOM 709 CD GLU A 43 74.313 5.231 -8.361 1.00 0.00 C ATOM 710 OE1 GLU A 43 74.889 6.027 -7.639 1.00 0.00 O ATOM 711 OE2 GLU A 43 74.123 5.405 -9.554 1.00 0.00 O ATOM 0 H GLU A 43 76.636 2.120 -5.656 1.00 0.00 H new ATOM 0 HA GLU A 43 74.603 3.879 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.889 3.724 -7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.094 2.208 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.309 3.321 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.044 4.161 -6.976 1.00 0.00 H new ATOM 718 N ALA A 44 73.368 0.984 -5.945 1.00 0.00 N ATOM 719 CA ALA A 44 72.113 0.232 -5.956 1.00 0.00 C ATOM 720 C ALA A 44 71.494 0.221 -4.567 1.00 0.00 C ATOM 721 O ALA A 44 70.438 0.764 -4.357 1.00 0.00 O ATOM 722 CB ALA A 44 72.477 -1.179 -6.412 1.00 0.00 C ATOM 0 H ALA A 44 74.194 0.472 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 44 71.375 0.679 -6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.578 -1.795 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.921 -1.137 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.192 -1.614 -5.714 1.00 0.00 H new ATOM 728 N LYS A 45 72.135 -0.382 -3.615 1.00 0.00 N ATOM 729 CA LYS A 45 71.537 -0.400 -2.253 1.00 0.00 C ATOM 730 C LYS A 45 71.022 0.993 -1.892 1.00 0.00 C ATOM 731 O LYS A 45 70.113 1.140 -1.101 1.00 0.00 O ATOM 732 CB LYS A 45 72.649 -0.814 -1.299 1.00 0.00 C ATOM 733 CG LYS A 45 72.113 -0.712 0.130 1.00 0.00 C ATOM 734 CD LYS A 45 73.149 -1.269 1.109 1.00 0.00 C ATOM 735 CE LYS A 45 73.903 -0.114 1.773 1.00 0.00 C ATOM 736 NZ LYS A 45 73.838 -0.403 3.233 1.00 0.00 N ATOM 0 H LYS A 45 73.032 -0.857 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 45 70.695 -1.090 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.973 -1.833 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.519 -0.169 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.891 0.327 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.179 -1.267 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 45 72.657 -1.878 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.849 -1.918 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 45 74.935 -0.064 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.441 0.845 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 74.334 0.346 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.844 -0.438 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 74.291 -1.319 3.426 1.00 0.00 H new ATOM 750 N PHE A 46 71.588 2.020 -2.470 1.00 0.00 N ATOM 751 CA PHE A 46 71.112 3.396 -2.156 1.00 0.00 C ATOM 752 C PHE A 46 69.790 3.662 -2.879 1.00 0.00 C ATOM 753 O PHE A 46 68.847 4.151 -2.295 1.00 0.00 O ATOM 754 CB PHE A 46 72.215 4.342 -2.644 1.00 0.00 C ATOM 755 CG PHE A 46 73.485 4.123 -1.843 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.528 3.154 -0.829 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.621 4.895 -2.117 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.703 2.960 -0.093 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.796 4.699 -1.380 1.00 0.00 C ATOM 760 CZ PHE A 46 75.837 3.732 -0.369 1.00 0.00 C ATOM 0 H PHE A 46 72.354 1.965 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 46 70.926 3.537 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 46 72.410 4.170 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.887 5.377 -2.544 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.654 2.557 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.591 5.642 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.734 2.215 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.671 5.295 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.744 3.582 0.198 1.00 0.00 H new ATOM 770 N LYS A 47 69.689 3.317 -4.135 1.00 0.00 N ATOM 771 CA LYS A 47 68.387 3.536 -4.829 1.00 0.00 C ATOM 772 C LYS A 47 67.519 2.298 -4.633 1.00 0.00 C ATOM 773 O LYS A 47 66.306 2.355 -4.668 1.00 0.00 O ATOM 774 CB LYS A 47 68.696 3.804 -6.315 1.00 0.00 C ATOM 775 CG LYS A 47 69.639 2.744 -6.903 1.00 0.00 C ATOM 776 CD LYS A 47 68.956 1.377 -6.914 1.00 0.00 C ATOM 777 CE LYS A 47 69.179 0.698 -8.268 1.00 0.00 C ATOM 778 NZ LYS A 47 68.654 1.657 -9.285 1.00 0.00 N ATOM 0 H LYS A 47 70.431 2.903 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 47 67.840 4.388 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.766 3.818 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.148 4.790 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 69.925 3.024 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 47 70.556 2.696 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.356 0.754 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 67.889 1.492 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.236 0.490 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.654 -0.256 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.209 1.129 -10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.950 2.281 -8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 69.437 2.229 -9.659 1.00 0.00 H new ATOM 792 N GLU A 48 68.147 1.184 -4.387 1.00 0.00 N ATOM 793 CA GLU A 48 67.395 -0.069 -4.136 1.00 0.00 C ATOM 794 C GLU A 48 66.347 0.238 -3.090 1.00 0.00 C ATOM 795 O GLU A 48 65.222 -0.219 -3.142 1.00 0.00 O ATOM 796 CB GLU A 48 68.434 -1.033 -3.569 1.00 0.00 C ATOM 797 CG GLU A 48 69.208 -1.696 -4.706 1.00 0.00 C ATOM 798 CD GLU A 48 68.376 -2.833 -5.302 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.210 -2.605 -5.578 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.920 -3.912 -5.472 1.00 0.00 O ATOM 0 H GLU A 48 69.162 1.090 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 48 66.906 -0.481 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.121 -0.496 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.943 -1.793 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.442 -0.961 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.157 -2.083 -4.335 1.00 0.00 H new ATOM 807 N ILE A 49 66.727 1.040 -2.145 1.00 0.00 N ATOM 808 CA ILE A 49 65.786 1.438 -1.077 1.00 0.00 C ATOM 809 C ILE A 49 64.569 2.082 -1.722 1.00 0.00 C ATOM 810 O ILE A 49 63.445 1.889 -1.313 1.00 0.00 O ATOM 811 CB ILE A 49 66.556 2.467 -0.278 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.799 1.803 0.301 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.682 3.017 0.843 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.924 2.827 0.423 1.00 0.00 C ATOM 0 H ILE A 49 67.662 1.441 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 49 65.442 0.607 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 49 66.848 3.296 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.573 1.379 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 49 68.113 0.979 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.244 3.757 1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.795 3.485 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.381 2.203 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.810 2.346 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 49 69.157 3.230 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.609 3.637 1.081 1.00 0.00 H new ATOM 826 N LYS A 50 64.807 2.850 -2.744 1.00 0.00 N ATOM 827 CA LYS A 50 63.682 3.522 -3.453 1.00 0.00 C ATOM 828 C LYS A 50 62.751 2.464 -4.046 1.00 0.00 C ATOM 829 O LYS A 50 61.544 2.597 -4.018 1.00 0.00 O ATOM 830 CB LYS A 50 64.342 4.349 -4.560 1.00 0.00 C ATOM 831 CG LYS A 50 63.387 5.458 -5.006 1.00 0.00 C ATOM 832 CD LYS A 50 62.388 4.894 -6.018 1.00 0.00 C ATOM 833 CE LYS A 50 62.777 5.349 -7.427 1.00 0.00 C ATOM 834 NZ LYS A 50 62.400 4.214 -8.314 1.00 0.00 N ATOM 0 H LYS A 50 65.734 3.043 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 50 63.082 4.149 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.275 4.781 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.594 3.709 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.858 5.865 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.949 6.279 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 50 62.377 3.805 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 50 61.381 5.235 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.250 6.261 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 50 63.844 5.564 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 62.636 4.450 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.922 3.361 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.378 4.037 -8.236 1.00 0.00 H new ATOM 848 N GLU A 51 63.306 1.405 -4.569 1.00 0.00 N ATOM 849 CA GLU A 51 62.459 0.325 -5.149 1.00 0.00 C ATOM 850 C GLU A 51 61.456 -0.155 -4.103 1.00 0.00 C ATOM 851 O GLU A 51 60.288 -0.339 -4.384 1.00 0.00 O ATOM 852 CB GLU A 51 63.436 -0.789 -5.504 1.00 0.00 C ATOM 853 CG GLU A 51 62.667 -1.985 -6.073 1.00 0.00 C ATOM 854 CD GLU A 51 63.393 -2.518 -7.309 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.573 -2.241 -7.444 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.756 -3.196 -8.099 1.00 0.00 O ATOM 0 H GLU A 51 64.311 1.241 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 51 61.889 0.656 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.162 -0.431 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.996 -1.091 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.585 -2.769 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.652 -1.687 -6.335 1.00 0.00 H new ATOM 863 N ALA A 52 61.902 -0.339 -2.888 1.00 0.00 N ATOM 864 CA ALA A 52 60.974 -0.784 -1.811 1.00 0.00 C ATOM 865 C ALA A 52 59.669 -0.002 -1.913 1.00 0.00 C ATOM 866 O ALA A 52 58.625 -0.456 -1.492 1.00 0.00 O ATOM 867 CB ALA A 52 61.697 -0.456 -0.506 1.00 0.00 C ATOM 0 H ALA A 52 62.869 -0.200 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 52 60.726 -1.843 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.076 -0.755 0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.644 -0.995 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.888 0.616 -0.455 1.00 0.00 H new ATOM 873 N TYR A 53 59.721 1.175 -2.473 1.00 0.00 N ATOM 874 CA TYR A 53 58.484 1.983 -2.600 1.00 0.00 C ATOM 875 C TYR A 53 57.485 1.245 -3.478 1.00 0.00 C ATOM 876 O TYR A 53 56.327 1.107 -3.140 1.00 0.00 O ATOM 877 CB TYR A 53 58.915 3.289 -3.262 1.00 0.00 C ATOM 878 CG TYR A 53 59.853 4.045 -2.351 1.00 0.00 C ATOM 879 CD1 TYR A 53 60.293 3.479 -1.144 1.00 0.00 C ATOM 880 CD2 TYR A 53 60.294 5.315 -2.725 1.00 0.00 C ATOM 881 CE1 TYR A 53 61.170 4.184 -0.321 1.00 0.00 C ATOM 882 CE2 TYR A 53 61.168 6.023 -1.899 1.00 0.00 C ATOM 883 CZ TYR A 53 61.610 5.458 -0.695 1.00 0.00 C ATOM 884 OH TYR A 53 62.484 6.154 0.116 1.00 0.00 O ATOM 0 H TYR A 53 60.566 1.608 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 53 58.006 2.164 -1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.407 3.080 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 53 58.040 3.900 -3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.952 2.497 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.959 5.750 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 53 61.510 3.746 0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.504 7.008 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 53 62.492 7.098 -0.146 1.00 0.00 H new ATOM 894 N GLU A 54 57.931 0.737 -4.590 1.00 0.00 N ATOM 895 CA GLU A 54 56.999 -0.018 -5.466 1.00 0.00 C ATOM 896 C GLU A 54 56.277 -1.029 -4.604 1.00 0.00 C ATOM 897 O GLU A 54 55.202 -1.487 -4.925 1.00 0.00 O ATOM 898 CB GLU A 54 57.862 -0.738 -6.505 1.00 0.00 C ATOM 899 CG GLU A 54 58.942 0.203 -7.020 1.00 0.00 C ATOM 900 CD GLU A 54 58.909 0.236 -8.550 1.00 0.00 C ATOM 901 OE1 GLU A 54 57.828 0.128 -9.102 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.967 0.367 -9.141 1.00 0.00 O ATOM 0 H GLU A 54 58.891 0.811 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 54 56.270 0.626 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.319 -1.623 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.241 -1.081 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.785 1.205 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.921 -0.128 -6.675 1.00 0.00 H new ATOM 909 N VAL A 55 56.879 -1.385 -3.504 1.00 0.00 N ATOM 910 CA VAL A 55 56.244 -2.372 -2.616 1.00 0.00 C ATOM 911 C VAL A 55 55.505 -1.677 -1.458 1.00 0.00 C ATOM 912 O VAL A 55 54.408 -2.037 -1.107 1.00 0.00 O ATOM 913 CB VAL A 55 57.404 -3.240 -2.104 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.572 -3.085 -0.593 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.103 -4.699 -2.408 1.00 0.00 C ATOM 0 H VAL A 55 57.782 -1.030 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 55 55.490 -2.967 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 55 58.321 -2.921 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.399 -3.709 -0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.782 -2.042 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.655 -3.393 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 55 57.922 -5.322 -2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.178 -4.991 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 55 56.993 -4.831 -3.484 1.00 0.00 H new ATOM 925 N LEU A 56 56.107 -0.719 -0.819 1.00 0.00 N ATOM 926 CA LEU A 56 55.394 -0.089 0.327 1.00 0.00 C ATOM 927 C LEU A 56 54.516 1.090 -0.151 1.00 0.00 C ATOM 928 O LEU A 56 53.553 1.446 0.497 1.00 0.00 O ATOM 929 CB LEU A 56 56.505 0.304 1.331 1.00 0.00 C ATOM 930 CG LEU A 56 56.486 1.796 1.673 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.658 2.616 0.405 1.00 0.00 C ATOM 932 CD2 LEU A 56 55.156 2.138 2.344 1.00 0.00 C ATOM 0 H LEU A 56 57.035 -0.351 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 56 54.685 -0.759 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 56 56.385 -0.277 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 56 57.477 0.043 0.913 1.00 0.00 H new ATOM 0 HG LEU A 56 57.305 2.028 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 56.644 3.677 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 56 57.610 2.366 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 56 55.844 2.394 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 55.135 3.200 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 56 54.336 1.907 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 56 55.047 1.551 3.256 1.00 0.00 H new ATOM 944 N THR A 57 54.818 1.690 -1.283 1.00 0.00 N ATOM 945 CA THR A 57 53.961 2.827 -1.756 1.00 0.00 C ATOM 946 C THR A 57 52.800 2.279 -2.597 1.00 0.00 C ATOM 947 O THR A 57 52.351 2.908 -3.535 1.00 0.00 O ATOM 948 CB THR A 57 54.850 3.743 -2.625 1.00 0.00 C ATOM 949 OG1 THR A 57 55.301 3.032 -3.770 1.00 0.00 O ATOM 950 CG2 THR A 57 56.061 4.258 -1.831 1.00 0.00 C ATOM 0 H THR A 57 55.603 1.448 -1.887 1.00 0.00 H new ATOM 0 HA THR A 57 53.547 3.380 -0.913 1.00 0.00 H new ATOM 0 HB THR A 57 54.252 4.600 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.293 2.070 -3.582 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.668 4.900 -2.469 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.715 4.827 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.660 3.413 -1.492 1.00 0.00 H new ATOM 958 N ASP A 58 52.307 1.112 -2.265 1.00 0.00 N ATOM 959 CA ASP A 58 51.172 0.528 -3.041 1.00 0.00 C ATOM 960 C ASP A 58 50.329 -0.356 -2.151 1.00 0.00 C ATOM 961 O ASP A 58 50.791 -1.325 -1.585 1.00 0.00 O ATOM 962 CB ASP A 58 51.817 -0.284 -4.160 1.00 0.00 C ATOM 963 CG ASP A 58 51.384 0.280 -5.513 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.265 0.007 -5.917 1.00 0.00 O ATOM 965 OD2 ASP A 58 52.177 0.979 -6.123 1.00 0.00 O ATOM 0 H ASP A 58 52.642 0.539 -1.490 1.00 0.00 H new ATOM 0 HA ASP A 58 50.510 1.297 -3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.903 -0.249 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.524 -1.331 -4.080 1.00 0.00 H new ATOM 970 N SER A 59 49.090 -0.005 -2.017 1.00 0.00 N ATOM 971 CA SER A 59 48.186 -0.784 -1.148 1.00 0.00 C ATOM 972 C SER A 59 48.292 -2.287 -1.438 1.00 0.00 C ATOM 973 O SER A 59 48.378 -3.095 -0.535 1.00 0.00 O ATOM 974 CB SER A 59 46.784 -0.267 -1.470 1.00 0.00 C ATOM 975 OG SER A 59 45.918 -0.545 -0.377 1.00 0.00 O ATOM 0 H SER A 59 48.661 0.797 -2.478 1.00 0.00 H new ATOM 0 HA SER A 59 48.437 -0.663 -0.094 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.814 0.806 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.408 -0.742 -2.376 1.00 0.00 H new ATOM 0 HG SER A 59 45.018 -0.213 -0.580 1.00 0.00 H new ATOM 981 N GLN A 60 48.282 -2.669 -2.685 1.00 0.00 N ATOM 982 CA GLN A 60 48.377 -4.124 -3.024 1.00 0.00 C ATOM 983 C GLN A 60 49.708 -4.695 -2.526 1.00 0.00 C ATOM 984 O GLN A 60 49.798 -5.834 -2.113 1.00 0.00 O ATOM 985 CB GLN A 60 48.310 -4.174 -4.552 1.00 0.00 C ATOM 986 CG GLN A 60 48.473 -5.619 -5.029 1.00 0.00 C ATOM 987 CD GLN A 60 48.016 -5.730 -6.486 1.00 0.00 C ATOM 988 OE1 GLN A 60 46.861 -5.510 -6.791 1.00 0.00 O ATOM 989 NE2 GLN A 60 48.882 -6.064 -7.404 1.00 0.00 N ATOM 0 H GLN A 60 48.212 -2.041 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 60 47.586 -4.712 -2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 60 47.357 -3.772 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 60 49.093 -3.549 -4.981 1.00 0.00 H new ATOM 0 HG2 GLN A 60 49.514 -5.928 -4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 60 47.886 -6.289 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 60 49.852 -6.249 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 60 48.589 -6.140 -8.378 1.00 0.00 H new ATOM 998 N LYS A 61 50.737 -3.903 -2.572 1.00 0.00 N ATOM 999 CA LYS A 61 52.082 -4.358 -2.117 1.00 0.00 C ATOM 1000 C LYS A 61 52.171 -4.373 -0.595 1.00 0.00 C ATOM 1001 O LYS A 61 52.461 -5.388 0.007 1.00 0.00 O ATOM 1002 CB LYS A 61 53.019 -3.322 -2.708 1.00 0.00 C ATOM 1003 CG LYS A 61 52.829 -3.263 -4.222 1.00 0.00 C ATOM 1004 CD LYS A 61 53.314 -4.569 -4.853 1.00 0.00 C ATOM 1005 CE LYS A 61 52.398 -4.941 -6.022 1.00 0.00 C ATOM 1006 NZ LYS A 61 52.418 -6.429 -6.068 1.00 0.00 N ATOM 0 H LYS A 61 50.706 -2.942 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 61 52.317 -5.375 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.820 -2.345 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.052 -3.574 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.778 -3.101 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.383 -2.420 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 54.340 -4.458 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 61 53.315 -5.366 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 61 51.387 -4.564 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 52.758 -4.512 -6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 51.812 -6.760 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 53.392 -6.758 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 52.064 -6.809 -5.167 1.00 0.00 H new ATOM 1020 N ARG A 62 51.934 -3.268 0.035 1.00 0.00 N ATOM 1021 CA ARG A 62 52.021 -3.241 1.516 1.00 0.00 C ATOM 1022 C ARG A 62 51.039 -4.238 2.127 1.00 0.00 C ATOM 1023 O ARG A 62 51.215 -4.692 3.237 1.00 0.00 O ATOM 1024 CB ARG A 62 51.643 -1.818 1.904 1.00 0.00 C ATOM 1025 CG ARG A 62 50.217 -1.546 1.427 1.00 0.00 C ATOM 1026 CD ARG A 62 49.605 -0.416 2.254 1.00 0.00 C ATOM 1027 NE ARG A 62 48.905 -1.099 3.377 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.891 -0.556 4.563 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.993 -0.479 5.259 1.00 0.00 N ATOM 1030 NH2 ARG A 62 47.776 -0.088 5.055 1.00 0.00 N ATOM 0 H ARG A 62 51.684 -2.383 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 62 53.013 -3.516 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.712 -1.689 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.335 -1.106 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.222 -1.276 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.613 -2.448 1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.373 0.264 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 62 48.911 0.178 1.659 1.00 0.00 H new ATOM 0 HE ARG A 62 48.437 -1.991 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 62 50.865 -0.843 4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 62 49.982 -0.054 6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 62 46.915 -0.147 4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 62 47.766 0.336 5.982 1.00 0.00 H new ATOM 1044 N ALA A 63 50.011 -4.592 1.411 1.00 0.00 N ATOM 1045 CA ALA A 63 49.035 -5.572 1.960 1.00 0.00 C ATOM 1046 C ALA A 63 49.585 -6.976 1.745 1.00 0.00 C ATOM 1047 O ALA A 63 49.257 -7.907 2.450 1.00 0.00 O ATOM 1048 CB ALA A 63 47.751 -5.359 1.158 1.00 0.00 C ATOM 0 H ALA A 63 49.804 -4.247 0.474 1.00 0.00 H new ATOM 0 HA ALA A 63 48.852 -5.444 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 63 46.984 -6.050 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.405 -4.334 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 63 47.947 -5.541 0.101 1.00 0.00 H new ATOM 1054 N ALA A 64 50.436 -7.118 0.772 1.00 0.00 N ATOM 1055 CA ALA A 64 51.048 -8.441 0.488 1.00 0.00 C ATOM 1056 C ALA A 64 52.334 -8.602 1.294 1.00 0.00 C ATOM 1057 O ALA A 64 52.562 -9.610 1.933 1.00 0.00 O ATOM 1058 CB ALA A 64 51.350 -8.409 -1.007 1.00 0.00 C ATOM 0 H ALA A 64 50.737 -6.364 0.154 1.00 0.00 H new ATOM 0 HA ALA A 64 50.399 -9.274 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.807 -9.352 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.424 -8.262 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.036 -7.590 -1.222 1.00 0.00 H new ATOM 1064 N TYR A 65 53.183 -7.612 1.259 1.00 0.00 N ATOM 1065 CA TYR A 65 54.463 -7.700 2.009 1.00 0.00 C ATOM 1066 C TYR A 65 54.207 -7.644 3.518 1.00 0.00 C ATOM 1067 O TYR A 65 55.033 -8.054 4.309 1.00 0.00 O ATOM 1068 CB TYR A 65 55.274 -6.499 1.525 1.00 0.00 C ATOM 1069 CG TYR A 65 55.840 -6.824 0.160 1.00 0.00 C ATOM 1070 CD1 TYR A 65 55.005 -6.810 -0.964 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.191 -7.161 0.022 1.00 0.00 C ATOM 1072 CE1 TYR A 65 55.522 -7.130 -2.227 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.708 -7.484 -1.241 1.00 0.00 C ATOM 1074 CZ TYR A 65 56.873 -7.468 -2.364 1.00 0.00 C ATOM 1075 OH TYR A 65 57.381 -7.786 -3.607 1.00 0.00 O ATOM 0 H TYR A 65 53.043 -6.744 0.741 1.00 0.00 H new ATOM 0 HA TYR A 65 54.992 -8.637 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.643 -5.612 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 65 56.078 -6.277 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 65 53.962 -6.552 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 65 57.836 -7.172 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 65 54.878 -7.116 -3.094 1.00 0.00 H new ATOM 0 HE2 TYR A 65 58.751 -7.745 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 65 58.335 -7.995 -3.527 1.00 0.00 H new ATOM 1085 N ASP A 66 53.065 -7.160 3.930 1.00 0.00 N ATOM 1086 CA ASP A 66 52.775 -7.116 5.392 1.00 0.00 C ATOM 1087 C ASP A 66 52.956 -8.517 5.977 1.00 0.00 C ATOM 1088 O ASP A 66 53.367 -8.684 7.108 1.00 0.00 O ATOM 1089 CB ASP A 66 51.317 -6.667 5.512 1.00 0.00 C ATOM 1090 CG ASP A 66 50.410 -7.694 4.833 1.00 0.00 C ATOM 1091 OD1 ASP A 66 50.902 -8.417 3.983 1.00 0.00 O ATOM 1092 OD2 ASP A 66 49.241 -7.740 5.175 1.00 0.00 O ATOM 0 H ASP A 66 52.328 -6.797 3.325 1.00 0.00 H new ATOM 0 HA ASP A 66 53.439 -6.439 5.931 1.00 0.00 H new ATOM 0 HB2 ASP A 66 51.043 -6.562 6.562 1.00 0.00 H new ATOM 0 HB3 ASP A 66 51.187 -5.689 5.049 1.00 0.00 H new ATOM 1097 N GLN A 67 52.658 -9.528 5.204 1.00 0.00 N ATOM 1098 CA GLN A 67 52.819 -10.923 5.700 1.00 0.00 C ATOM 1099 C GLN A 67 53.875 -11.647 4.861 1.00 0.00 C ATOM 1100 O GLN A 67 53.970 -12.858 4.872 1.00 0.00 O ATOM 1101 CB GLN A 67 51.447 -11.575 5.517 1.00 0.00 C ATOM 1102 CG GLN A 67 50.362 -10.643 6.057 1.00 0.00 C ATOM 1103 CD GLN A 67 49.521 -11.387 7.096 1.00 0.00 C ATOM 1104 OE1 GLN A 67 50.055 -12.053 7.961 1.00 0.00 O ATOM 1105 NE2 GLN A 67 48.221 -11.303 7.048 1.00 0.00 N ATOM 0 H GLN A 67 52.309 -9.446 4.249 1.00 0.00 H new ATOM 0 HA GLN A 67 53.146 -10.962 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 67 51.270 -11.784 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 67 51.414 -12.530 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 67 50.817 -9.760 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 67 49.728 -10.295 5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 67 47.773 -10.744 6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 67 47.652 -11.796 7.736 1.00 0.00 H new ATOM 1114 N TYR A 68 54.666 -10.909 4.132 1.00 0.00 N ATOM 1115 CA TYR A 68 55.716 -11.547 3.287 1.00 0.00 C ATOM 1116 C TYR A 68 55.106 -12.677 2.456 1.00 0.00 C ATOM 1117 O TYR A 68 55.783 -13.602 2.054 1.00 0.00 O ATOM 1118 CB TYR A 68 56.739 -12.096 4.281 1.00 0.00 C ATOM 1119 CG TYR A 68 57.824 -11.069 4.500 1.00 0.00 C ATOM 1120 CD1 TYR A 68 57.498 -9.800 4.994 1.00 0.00 C ATOM 1121 CD2 TYR A 68 59.157 -11.385 4.208 1.00 0.00 C ATOM 1122 CE1 TYR A 68 58.504 -8.847 5.195 1.00 0.00 C ATOM 1123 CE2 TYR A 68 60.163 -10.431 4.410 1.00 0.00 C ATOM 1124 CZ TYR A 68 59.836 -9.163 4.904 1.00 0.00 C ATOM 1125 OH TYR A 68 60.827 -8.223 5.102 1.00 0.00 O ATOM 0 H TYR A 68 54.631 -9.891 4.085 1.00 0.00 H new ATOM 0 HA TYR A 68 56.169 -10.848 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 68 56.252 -12.335 5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 68 57.171 -13.022 3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 68 56.470 -9.556 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 68 59.409 -12.364 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 68 58.252 -7.868 5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 68 61.191 -10.674 4.185 1.00 0.00 H new ATOM 0 HH TYR A 68 61.061 -8.190 6.053 1.00 0.00 H new ATOM 1135 N GLY A 69 53.829 -12.610 2.198 1.00 0.00 N ATOM 1136 CA GLY A 69 53.174 -13.678 1.397 1.00 0.00 C ATOM 1137 C GLY A 69 52.414 -14.611 2.338 1.00 0.00 C ATOM 1138 O GLY A 69 52.454 -14.456 3.543 1.00 0.00 O ATOM 0 H GLY A 69 53.211 -11.860 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 69 52.491 -13.238 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 69 53.921 -14.238 0.834 1.00 0.00 H new ATOM 1142 N HIS A 70 51.724 -15.578 1.807 1.00 0.00 N ATOM 1143 CA HIS A 70 50.970 -16.511 2.687 1.00 0.00 C ATOM 1144 C HIS A 70 51.887 -17.636 3.173 1.00 0.00 C ATOM 1145 O HIS A 70 51.439 -18.615 3.737 1.00 0.00 O ATOM 1146 CB HIS A 70 49.844 -17.068 1.815 1.00 0.00 C ATOM 1147 CG HIS A 70 50.424 -17.919 0.718 1.00 0.00 C ATOM 1148 ND1 HIS A 70 51.780 -17.924 0.417 1.00 0.00 N ATOM 1149 CD2 HIS A 70 49.844 -18.800 -0.161 1.00 0.00 C ATOM 1150 CE1 HIS A 70 51.965 -18.781 -0.604 1.00 0.00 C ATOM 1151 NE2 HIS A 70 50.818 -19.342 -0.994 1.00 0.00 N ATOM 0 H HIS A 70 51.649 -15.763 0.807 1.00 0.00 H new ATOM 0 HA HIS A 70 50.581 -16.014 3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 70 49.159 -17.659 2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 70 49.265 -16.250 1.386 1.00 0.00 H new ATOM 0 HD2 HIS A 70 48.791 -19.037 -0.200 1.00 0.00 H new ATOM 0 HE1 HIS A 70 52.925 -18.990 -1.053 1.00 0.00 H new ATOM 0 HE2 HIS A 70 50.684 -20.022 -1.742 1.00 0.00 H new ATOM 1159 N ALA A 71 53.168 -17.502 2.962 1.00 0.00 N ATOM 1160 CA ALA A 71 54.115 -18.560 3.415 1.00 0.00 C ATOM 1161 C ALA A 71 54.388 -18.412 4.914 1.00 0.00 C ATOM 1162 O ALA A 71 54.553 -19.384 5.624 1.00 0.00 O ATOM 1163 CB ALA A 71 55.392 -18.323 2.609 1.00 0.00 C ATOM 0 H ALA A 71 53.600 -16.705 2.495 1.00 0.00 H new ATOM 0 HA ALA A 71 53.720 -19.564 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 71 56.141 -19.065 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.172 -18.410 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.775 -17.325 2.820 1.00 0.00 H new ATOM 1169 N ALA A 72 54.434 -17.201 5.399 1.00 0.00 N ATOM 1170 CA ALA A 72 54.691 -16.990 6.853 1.00 0.00 C ATOM 1171 C ALA A 72 53.712 -17.826 7.680 1.00 0.00 C ATOM 1172 O ALA A 72 53.953 -18.125 8.832 1.00 0.00 O ATOM 1173 CB ALA A 72 54.455 -15.497 7.086 1.00 0.00 C ATOM 0 H ALA A 72 54.305 -16.349 4.853 1.00 0.00 H new ATOM 0 HA ALA A 72 55.697 -17.290 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 72 54.625 -15.261 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 72 55.143 -14.919 6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 72 53.429 -15.245 6.819 1.00 0.00 H new ATOM 1179 N PHE A 73 52.609 -18.206 7.097 1.00 0.00 N ATOM 1180 CA PHE A 73 51.611 -19.024 7.844 1.00 0.00 C ATOM 1181 C PHE A 73 51.612 -20.462 7.320 1.00 0.00 C ATOM 1182 O PHE A 73 51.000 -21.342 7.893 1.00 0.00 O ATOM 1183 CB PHE A 73 50.264 -18.355 7.571 1.00 0.00 C ATOM 1184 CG PHE A 73 49.724 -17.772 8.854 1.00 0.00 C ATOM 1185 CD1 PHE A 73 50.121 -16.494 9.265 1.00 0.00 C ATOM 1186 CD2 PHE A 73 48.826 -18.510 9.634 1.00 0.00 C ATOM 1187 CE1 PHE A 73 49.620 -15.952 10.454 1.00 0.00 C ATOM 1188 CE2 PHE A 73 48.324 -17.969 10.825 1.00 0.00 C ATOM 1189 CZ PHE A 73 48.721 -16.691 11.235 1.00 0.00 C ATOM 0 H PHE A 73 52.355 -17.985 6.134 1.00 0.00 H new ATOM 0 HA PHE A 73 51.831 -19.073 8.910 1.00 0.00 H new ATOM 0 HB2 PHE A 73 50.380 -17.571 6.823 1.00 0.00 H new ATOM 0 HB3 PHE A 73 49.560 -19.082 7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 73 50.815 -15.926 8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 73 48.520 -19.496 9.318 1.00 0.00 H new ATOM 0 HE1 PHE A 73 49.926 -14.965 10.769 1.00 0.00 H new ATOM 0 HE2 PHE A 73 47.631 -18.538 11.427 1.00 0.00 H new ATOM 0 HZ PHE A 73 48.335 -16.274 12.153 1.00 0.00 H new ATOM 1199 N GLU A 74 52.296 -20.708 6.236 1.00 0.00 N ATOM 1200 CA GLU A 74 52.337 -22.089 5.677 1.00 0.00 C ATOM 1201 C GLU A 74 50.915 -22.618 5.472 1.00 0.00 C ATOM 1202 O GLU A 74 50.471 -23.517 6.157 1.00 0.00 O ATOM 1203 CB GLU A 74 53.072 -22.918 6.731 1.00 0.00 C ATOM 1204 CG GLU A 74 54.312 -22.155 7.204 1.00 0.00 C ATOM 1205 CD GLU A 74 55.361 -23.147 7.710 1.00 0.00 C ATOM 1206 OE1 GLU A 74 55.025 -24.310 7.864 1.00 0.00 O ATOM 1207 OE2 GLU A 74 56.484 -22.726 7.935 1.00 0.00 O ATOM 0 H GLU A 74 52.828 -20.012 5.713 1.00 0.00 H new ATOM 0 HA GLU A 74 52.833 -22.130 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.413 -23.121 7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.362 -23.882 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 74 54.721 -21.563 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.042 -21.458 7.998 1.00 0.00 H new ATOM 1214 N GLN A 75 50.198 -22.066 4.531 1.00 0.00 N ATOM 1215 CA GLN A 75 48.806 -22.537 4.279 1.00 0.00 C ATOM 1216 C GLN A 75 47.960 -22.386 5.546 1.00 0.00 C ATOM 1217 O GLN A 75 47.366 -23.332 6.024 1.00 0.00 O ATOM 1218 CB GLN A 75 48.948 -24.012 3.902 1.00 0.00 C ATOM 1219 CG GLN A 75 48.518 -24.209 2.446 1.00 0.00 C ATOM 1220 CD GLN A 75 48.705 -25.674 2.050 1.00 0.00 C ATOM 1221 OE1 GLN A 75 49.058 -26.498 2.872 1.00 0.00 O ATOM 1222 NE2 GLN A 75 48.482 -26.037 0.817 1.00 0.00 N ATOM 0 H GLN A 75 50.516 -21.309 3.926 1.00 0.00 H new ATOM 0 HA GLN A 75 48.311 -21.963 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 75 49.981 -24.335 4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 75 48.335 -24.628 4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 75 47.475 -23.918 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 75 49.108 -23.567 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 75 48.186 -25.346 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 75 48.604 -27.012 0.542 1.00 0.00 H new ATOM 1231 N GLY A 76 47.899 -21.201 6.092 1.00 0.00 N ATOM 1232 CA GLY A 76 47.092 -20.989 7.327 1.00 0.00 C ATOM 1233 C GLY A 76 45.620 -20.810 6.955 1.00 0.00 C ATOM 1234 O GLY A 76 45.286 -20.516 5.824 1.00 0.00 O ATOM 0 H GLY A 76 48.373 -20.371 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 76 47.207 -21.840 7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 76 47.452 -20.110 7.862 1.00 0.00 H new ATOM 1238 N GLY A 77 44.735 -20.983 7.899 1.00 0.00 N ATOM 1239 CA GLY A 77 43.284 -20.821 7.602 1.00 0.00 C ATOM 1240 C GLY A 77 42.461 -21.518 8.685 1.00 0.00 C ATOM 1241 O GLY A 77 41.391 -21.023 9.000 1.00 0.00 O ATOM 1242 OXT GLY A 77 42.913 -22.535 9.184 1.00 0.00 O ATOM 0 H GLY A 77 44.955 -21.230 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 77 43.027 -19.763 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 77 43.052 -21.245 6.625 1.00 0.00 H new TER 1246 GLY A 77