USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 830 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 90 GLN :FLIP amide:sc= 0 F(o=-2.7,f=-2.1) USER MOD Set 1.2: A 97 GLN : amide:sc= -2.08! C(o=-2.1!,f=-3.5!) USER MOD Set 2.1: A 8 TYR OH : rot 29:sc= 0.223 USER MOD Set 2.2: A 40 TYR OH : rot -50:sc= -2.45 USER MOD Set 3.1: A 32 HIS :FLIP no HE2:sc= -10.8! C(o=-11!,f=-11!) USER MOD Set 3.2: A 36 HIS :FLIP no HE2:sc= -0.189 F(o=-13,f=-11) USER MOD Set 4.1: A 6 TYR OH : rot -119:sc= 1.12 USER MOD Set 4.2: A 14 GLN :FLIP amide:sc= -0.404 F(o=-0.61,f=0.72) USER MOD Single : A 1 GLU N :NH3+ 174:sc= -0.929 (180deg=-1.18) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= -0.744 (180deg=-0.909) USER MOD Single : A 7 SER OG : rot -160:sc= -0.69 USER MOD Single : A 10 GLN :FLIP amide:sc= 0.193 F(o=-0.46,f=0.19) USER MOD Single : A 17 SER OG : rot 78:sc= 0.296 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.00178 K(o=0.0018,f=-1.9!) USER MOD Single : A 23 GLN : amide:sc= -3.94! C(o=-3.9!,f=-6.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 27 SER OG : rot -48:sc= 0.191 USER MOD Single : A 30 TYR OH : rot -86:sc= 0.865 USER MOD Single : A 34 THR OG1 : rot 89:sc= 0.0893 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 81:sc= -1.25! USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -4.29! C(o=-5.2!,f=-4.3!) USER MOD Single : A 49 ASN : amide:sc= -2.02! C(o=-2!,f=-6!) USER MOD Single : A 50 SER OG : rot 65:sc= -0.81! USER MOD Single : A 53 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.44) USER MOD Single : A 54 ASN :FLIP amide:sc= -8.55! C(o=-9.9!,f=-8.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 60 TYR OH : rot 10:sc= -1.71 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.274) USER MOD Single : A 67 SER OG : rot 35:sc= 0.557 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -36:sc= 0.39 USER MOD Single : A 83 SER OG : rot -170:sc= -1.93! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.201 (180deg=-0.735) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0454 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 13.453 12.112 -10.381 1.00 0.00 N ATOM 2 CA GLU A 1 13.496 12.668 -8.998 1.00 0.00 C ATOM 3 C GLU A 1 13.569 11.519 -7.988 1.00 0.00 C ATOM 4 O GLU A 1 14.332 11.560 -7.043 1.00 0.00 O ATOM 5 CB GLU A 1 12.238 13.505 -8.734 1.00 0.00 C ATOM 6 CG GLU A 1 11.084 13.010 -9.612 1.00 0.00 C ATOM 7 CD GLU A 1 9.933 14.016 -9.559 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.211 15.200 -9.462 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.793 13.585 -9.619 1.00 0.00 O ATOM 0 H1 GLU A 1 13.301 12.884 -11.061 1.00 0.00 H new ATOM 0 H2 GLU A 1 14.354 11.637 -10.592 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.674 11.427 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 1 14.376 13.302 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 1 11.960 13.437 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.440 14.556 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.424 12.884 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.744 12.034 -9.267 1.00 0.00 H new ATOM 18 N SER A 2 12.786 10.495 -8.183 1.00 0.00 N ATOM 19 CA SER A 2 12.813 9.342 -7.236 1.00 0.00 C ATOM 20 C SER A 2 12.235 8.107 -7.929 1.00 0.00 C ATOM 21 O SER A 2 12.939 7.161 -8.221 1.00 0.00 O ATOM 22 CB SER A 2 11.976 9.675 -5.999 1.00 0.00 C ATOM 23 OG SER A 2 11.018 10.670 -6.332 1.00 0.00 O ATOM 0 H SER A 2 12.128 10.405 -8.957 1.00 0.00 H new ATOM 0 HA SER A 2 13.841 9.143 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.474 8.779 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.621 10.030 -5.195 1.00 0.00 H new ATOM 0 HG SER A 2 10.480 10.883 -5.541 1.00 0.00 H new ATOM 29 N LYS A 3 10.958 8.111 -8.196 1.00 0.00 N ATOM 30 CA LYS A 3 10.332 6.941 -8.875 1.00 0.00 C ATOM 31 C LYS A 3 9.720 7.392 -10.207 1.00 0.00 C ATOM 32 O LYS A 3 8.518 7.520 -10.322 1.00 0.00 O ATOM 33 CB LYS A 3 9.234 6.365 -7.979 1.00 0.00 C ATOM 34 CG LYS A 3 9.432 4.855 -7.829 1.00 0.00 C ATOM 35 CD LYS A 3 8.118 4.133 -8.133 1.00 0.00 C ATOM 36 CE LYS A 3 6.999 4.707 -7.260 1.00 0.00 C ATOM 37 NZ LYS A 3 5.758 4.856 -8.073 1.00 0.00 N ATOM 0 H LYS A 3 10.320 8.875 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 3 11.088 6.179 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.261 6.844 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.254 6.572 -8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.213 4.511 -8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.762 4.620 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.865 4.247 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.227 3.065 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.813 4.050 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.299 5.674 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.994 5.230 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.935 5.513 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.478 3.929 -8.453 1.00 0.00 H new ATOM 51 N PRO A 4 10.574 7.624 -11.174 1.00 0.00 N ATOM 52 CA PRO A 4 10.156 8.068 -12.517 1.00 0.00 C ATOM 53 C PRO A 4 9.470 6.959 -13.356 1.00 0.00 C ATOM 54 O PRO A 4 8.623 7.276 -14.166 1.00 0.00 O ATOM 55 CB PRO A 4 11.461 8.547 -13.163 1.00 0.00 C ATOM 56 CG PRO A 4 12.613 7.870 -12.387 1.00 0.00 C ATOM 57 CD PRO A 4 12.038 7.467 -11.015 1.00 0.00 C ATOM 0 HA PRO A 4 9.393 8.844 -12.460 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.493 8.276 -14.218 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.544 9.633 -13.110 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.982 6.997 -12.925 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.455 8.552 -12.270 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.303 6.441 -10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.423 8.105 -10.219 1.00 0.00 H new ATOM 65 N PRO A 5 9.827 5.700 -13.170 1.00 0.00 N ATOM 66 CA PRO A 5 9.205 4.607 -13.944 1.00 0.00 C ATOM 67 C PRO A 5 7.804 4.299 -13.416 1.00 0.00 C ATOM 68 O PRO A 5 6.810 4.604 -14.046 1.00 0.00 O ATOM 69 CB PRO A 5 10.138 3.417 -13.717 1.00 0.00 C ATOM 70 CG PRO A 5 10.909 3.713 -12.412 1.00 0.00 C ATOM 71 CD PRO A 5 10.849 5.238 -12.205 1.00 0.00 C ATOM 0 HA PRO A 5 9.086 4.855 -14.999 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.572 2.490 -13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.824 3.296 -14.555 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.459 3.189 -11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.942 3.372 -12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.571 5.490 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.816 5.703 -12.397 1.00 0.00 H new ATOM 79 N TYR A 6 7.718 3.686 -12.270 1.00 0.00 N ATOM 80 CA TYR A 6 6.387 3.342 -11.705 1.00 0.00 C ATOM 81 C TYR A 6 5.794 4.547 -10.988 1.00 0.00 C ATOM 82 O TYR A 6 6.485 5.316 -10.347 1.00 0.00 O ATOM 83 CB TYR A 6 6.542 2.172 -10.737 1.00 0.00 C ATOM 84 CG TYR A 6 6.839 0.909 -11.519 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.094 0.967 -12.900 1.00 0.00 C ATOM 86 CD2 TYR A 6 6.858 -0.323 -10.860 1.00 0.00 C ATOM 87 CE1 TYR A 6 7.367 -0.205 -13.611 1.00 0.00 C ATOM 88 CE2 TYR A 6 7.132 -1.496 -11.573 1.00 0.00 C ATOM 89 CZ TYR A 6 7.387 -1.436 -12.948 1.00 0.00 C ATOM 90 OH TYR A 6 7.656 -2.591 -13.651 1.00 0.00 O ATOM 0 H TYR A 6 8.516 3.408 -11.699 1.00 0.00 H new ATOM 0 HA TYR A 6 5.711 3.057 -12.511 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.348 2.374 -10.031 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.630 2.046 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.079 1.918 -13.412 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.661 -0.370 -9.799 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.562 -0.160 -14.672 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.147 -2.447 -11.062 1.00 0.00 H new ATOM 0 HH TYR A 6 6.892 -3.200 -13.584 1.00 0.00 H new ATOM 100 N SER A 7 4.509 4.716 -11.100 1.00 0.00 N ATOM 101 CA SER A 7 3.843 5.865 -10.438 1.00 0.00 C ATOM 102 C SER A 7 2.967 5.344 -9.302 1.00 0.00 C ATOM 103 O SER A 7 2.684 4.165 -9.217 1.00 0.00 O ATOM 104 CB SER A 7 2.981 6.592 -11.467 1.00 0.00 C ATOM 105 OG SER A 7 3.401 7.947 -11.561 1.00 0.00 O ATOM 0 H SER A 7 3.888 4.102 -11.626 1.00 0.00 H new ATOM 0 HA SER A 7 4.585 6.553 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.066 6.105 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.931 6.544 -11.177 1.00 0.00 H new ATOM 0 HG SER A 7 2.684 8.485 -11.957 1.00 0.00 H new ATOM 111 N TYR A 8 2.534 6.204 -8.425 1.00 0.00 N ATOM 112 CA TYR A 8 1.681 5.740 -7.298 1.00 0.00 C ATOM 113 C TYR A 8 0.257 5.497 -7.807 1.00 0.00 C ATOM 114 O TYR A 8 -0.705 6.069 -7.332 1.00 0.00 O ATOM 115 CB TYR A 8 1.696 6.790 -6.192 1.00 0.00 C ATOM 116 CG TYR A 8 3.134 7.084 -5.836 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.007 6.029 -5.541 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.598 8.404 -5.809 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.343 6.294 -5.218 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.934 8.669 -5.486 1.00 0.00 C ATOM 121 CZ TYR A 8 5.807 7.615 -5.191 1.00 0.00 C ATOM 122 OH TYR A 8 7.123 7.879 -4.872 1.00 0.00 O ATOM 0 H TYR A 8 2.733 7.204 -8.439 1.00 0.00 H new ATOM 0 HA TYR A 8 2.066 4.804 -6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.194 7.699 -6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.155 6.428 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.649 5.010 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.926 9.218 -6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.015 5.480 -4.990 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.292 9.688 -5.464 1.00 0.00 H new ATOM 0 HH TYR A 8 7.683 7.120 -5.138 1.00 0.00 H new ATOM 132 N ALA A 9 0.141 4.635 -8.775 1.00 0.00 N ATOM 133 CA ALA A 9 -1.181 4.291 -9.367 1.00 0.00 C ATOM 134 C ALA A 9 -0.948 3.097 -10.288 1.00 0.00 C ATOM 135 O ALA A 9 -1.683 2.130 -10.287 1.00 0.00 O ATOM 136 CB ALA A 9 -1.720 5.477 -10.168 1.00 0.00 C ATOM 0 H ALA A 9 0.929 4.140 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.911 4.053 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.687 5.216 -10.597 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.835 6.338 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.022 5.723 -10.968 1.00 0.00 H new ATOM 142 N GLN A 10 0.120 3.151 -11.036 1.00 0.00 N ATOM 143 CA GLN A 10 0.486 2.022 -11.928 1.00 0.00 C ATOM 144 C GLN A 10 1.394 1.111 -11.111 1.00 0.00 C ATOM 145 O GLN A 10 1.428 -0.091 -11.287 1.00 0.00 O ATOM 146 CB GLN A 10 1.239 2.551 -13.151 1.00 0.00 C ATOM 147 CG GLN A 10 1.867 1.382 -13.911 1.00 0.00 C ATOM 148 CD GLN A 10 3.375 1.355 -13.653 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.167 2.069 -14.406 1.00 0.00 O flip ATOM 150 NE2 GLN A 10 3.838 0.676 -12.758 1.00 0.00 N flip ATOM 0 H GLN A 10 0.762 3.943 -11.065 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.396 1.489 -12.282 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.557 3.097 -13.803 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.012 3.253 -12.839 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.416 0.443 -13.591 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.672 1.482 -14.979 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.220 0.118 -12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.845 0.664 -12.595 1.00 0.00 H new ATOM 159 N LEU A 11 2.102 1.697 -10.183 1.00 0.00 N ATOM 160 CA LEU A 11 2.988 0.912 -9.292 1.00 0.00 C ATOM 161 C LEU A 11 2.101 -0.056 -8.516 1.00 0.00 C ATOM 162 O LEU A 11 2.433 -1.205 -8.301 1.00 0.00 O ATOM 163 CB LEU A 11 3.676 1.884 -8.334 1.00 0.00 C ATOM 164 CG LEU A 11 4.423 1.122 -7.246 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.902 1.038 -7.616 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.278 1.874 -5.927 1.00 0.00 C ATOM 0 H LEU A 11 2.100 2.702 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 11 3.746 0.360 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.371 2.517 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.935 2.543 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 11 4.012 0.117 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.441 0.494 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.010 0.517 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.312 2.044 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.809 1.337 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.698 2.874 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.223 1.949 -5.665 1.00 0.00 H new ATOM 178 N ILE A 12 0.949 0.416 -8.126 1.00 0.00 N ATOM 179 CA ILE A 12 -0.019 -0.443 -7.390 1.00 0.00 C ATOM 180 C ILE A 12 -0.472 -1.571 -8.313 1.00 0.00 C ATOM 181 O ILE A 12 -0.551 -2.716 -7.919 1.00 0.00 O ATOM 182 CB ILE A 12 -1.241 0.389 -6.999 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.810 1.736 -6.407 1.00 0.00 C ATOM 184 CG2 ILE A 12 -2.067 -0.383 -5.977 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.132 1.500 -5.232 1.00 0.00 C ATOM 0 H ILE A 12 0.634 1.372 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 12 0.454 -0.848 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.840 0.580 -7.890 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.314 2.337 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.685 2.297 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.940 0.206 -5.695 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.392 -1.328 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.461 -0.580 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.437 2.458 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.380 0.916 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.013 0.957 -5.575 1.00 0.00 H new ATOM 197 N VAL A 13 -0.770 -1.252 -9.542 1.00 0.00 N ATOM 198 CA VAL A 13 -1.223 -2.299 -10.499 1.00 0.00 C ATOM 199 C VAL A 13 -0.240 -3.465 -10.468 1.00 0.00 C ATOM 200 O VAL A 13 -0.595 -4.573 -10.126 1.00 0.00 O ATOM 201 CB VAL A 13 -1.262 -1.704 -11.902 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.803 -2.739 -12.890 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.169 -0.475 -11.891 1.00 0.00 C ATOM 0 H VAL A 13 -0.719 -0.308 -9.926 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.216 -2.653 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.256 -1.418 -12.209 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.829 -2.308 -13.891 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.156 -3.616 -12.889 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.811 -3.031 -12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.205 -0.040 -12.890 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.174 -0.767 -11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.776 0.261 -11.189 1.00 0.00 H new ATOM 213 N GLN A 14 0.996 -3.233 -10.798 1.00 0.00 N ATOM 214 CA GLN A 14 1.976 -4.347 -10.752 1.00 0.00 C ATOM 215 C GLN A 14 1.959 -4.921 -9.339 1.00 0.00 C ATOM 216 O GLN A 14 2.200 -6.092 -9.121 1.00 0.00 O ATOM 217 CB GLN A 14 3.373 -3.819 -11.076 1.00 0.00 C ATOM 218 CG GLN A 14 4.391 -4.952 -10.947 1.00 0.00 C ATOM 219 CD GLN A 14 5.726 -4.493 -11.531 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.741 -3.912 -12.697 1.00 0.00 O flip ATOM 221 NE2 GLN A 14 6.762 -4.662 -10.919 1.00 0.00 N flip ATOM 0 H GLN A 14 1.367 -2.330 -11.095 1.00 0.00 H new ATOM 0 HA GLN A 14 1.717 -5.115 -11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.393 -3.411 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.632 -3.005 -10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.514 -5.230 -9.900 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.036 -5.839 -11.472 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.747 -5.117 -10.006 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.647 -4.349 -11.318 1.00 0.00 H new ATOM 230 N ALA A 15 1.659 -4.092 -8.376 1.00 0.00 N ATOM 231 CA ALA A 15 1.603 -4.558 -6.966 1.00 0.00 C ATOM 232 C ALA A 15 0.389 -5.467 -6.771 1.00 0.00 C ATOM 233 O ALA A 15 0.495 -6.568 -6.269 1.00 0.00 O ATOM 234 CB ALA A 15 1.474 -3.345 -6.045 1.00 0.00 C ATOM 0 H ALA A 15 1.449 -3.103 -8.510 1.00 0.00 H new ATOM 0 HA ALA A 15 2.511 -5.112 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.432 -3.678 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.335 -2.691 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.562 -2.799 -6.288 1.00 0.00 H new ATOM 240 N ILE A 16 -0.767 -5.002 -7.157 1.00 0.00 N ATOM 241 CA ILE A 16 -2.003 -5.828 -6.985 1.00 0.00 C ATOM 242 C ILE A 16 -2.163 -6.786 -8.170 1.00 0.00 C ATOM 243 O ILE A 16 -2.347 -7.974 -7.997 1.00 0.00 O ATOM 244 CB ILE A 16 -3.253 -4.934 -6.890 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.865 -3.449 -6.834 1.00 0.00 C ATOM 246 CG2 ILE A 16 -4.033 -5.298 -5.628 1.00 0.00 C ATOM 247 CD1 ILE A 16 -4.051 -2.613 -6.339 1.00 0.00 C ATOM 0 H ILE A 16 -0.913 -4.087 -7.584 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.902 -6.396 -6.060 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.866 -5.098 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.012 -3.313 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.557 -3.108 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.920 -4.669 -5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.334 -6.345 -5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.403 -5.141 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.765 -1.562 -6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.893 -2.737 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.339 -2.945 -5.342 1.00 0.00 H new ATOM 259 N SER A 17 -2.103 -6.278 -9.368 1.00 0.00 N ATOM 260 CA SER A 17 -2.261 -7.159 -10.563 1.00 0.00 C ATOM 261 C SER A 17 -1.249 -8.306 -10.501 1.00 0.00 C ATOM 262 O SER A 17 -1.587 -9.454 -10.706 1.00 0.00 O ATOM 263 CB SER A 17 -2.020 -6.341 -11.832 1.00 0.00 C ATOM 264 OG SER A 17 -2.635 -6.995 -12.935 1.00 0.00 O ATOM 0 H SER A 17 -1.951 -5.291 -9.574 1.00 0.00 H new ATOM 0 HA SER A 17 -3.271 -7.569 -10.575 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.429 -5.337 -11.715 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.950 -6.231 -12.010 1.00 0.00 H new ATOM 0 HG SER A 17 -3.601 -6.831 -12.916 1.00 0.00 H new ATOM 270 N SER A 18 -0.009 -8.006 -10.229 1.00 0.00 N ATOM 271 CA SER A 18 1.020 -9.082 -10.165 1.00 0.00 C ATOM 272 C SER A 18 0.913 -9.821 -8.829 1.00 0.00 C ATOM 273 O SER A 18 1.597 -10.797 -8.594 1.00 0.00 O ATOM 274 CB SER A 18 2.412 -8.464 -10.298 1.00 0.00 C ATOM 275 OG SER A 18 3.280 -9.393 -10.934 1.00 0.00 O ATOM 0 H SER A 18 0.336 -7.063 -10.048 1.00 0.00 H new ATOM 0 HA SER A 18 0.855 -9.787 -10.980 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.359 -7.542 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.801 -8.200 -9.314 1.00 0.00 H new ATOM 0 HG SER A 18 4.173 -8.999 -11.022 1.00 0.00 H new ATOM 281 N ALA A 19 0.061 -9.366 -7.952 1.00 0.00 N ATOM 282 CA ALA A 19 -0.085 -10.049 -6.637 1.00 0.00 C ATOM 283 C ALA A 19 -0.797 -11.388 -6.833 1.00 0.00 C ATOM 284 O ALA A 19 -1.147 -11.760 -7.935 1.00 0.00 O ATOM 285 CB ALA A 19 -0.910 -9.170 -5.696 1.00 0.00 C ATOM 0 H ALA A 19 -0.539 -8.553 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 19 0.901 -10.221 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.018 -9.669 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.405 -8.214 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.896 -8.999 -6.128 1.00 0.00 H new ATOM 291 N GLN A 20 -1.016 -12.115 -5.771 1.00 0.00 N ATOM 292 CA GLN A 20 -1.710 -13.428 -5.899 1.00 0.00 C ATOM 293 C GLN A 20 -2.918 -13.274 -6.826 1.00 0.00 C ATOM 294 O GLN A 20 -2.848 -13.559 -8.005 1.00 0.00 O ATOM 295 CB GLN A 20 -2.177 -13.901 -4.517 1.00 0.00 C ATOM 296 CG GLN A 20 -2.487 -12.689 -3.632 1.00 0.00 C ATOM 297 CD GLN A 20 -3.654 -13.020 -2.698 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.802 -12.873 -3.067 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.407 -13.464 -1.496 1.00 0.00 N ATOM 0 H GLN A 20 -0.745 -11.857 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.023 -14.164 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.064 -14.526 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.405 -14.515 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.607 -12.417 -3.049 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.737 -11.828 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.443 -13.588 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.178 -13.688 -0.867 1.00 0.00 H new ATOM 308 N ASP A 21 -4.025 -12.822 -6.305 1.00 0.00 N ATOM 309 CA ASP A 21 -5.233 -12.648 -7.159 1.00 0.00 C ATOM 310 C ASP A 21 -5.217 -11.254 -7.786 1.00 0.00 C ATOM 311 O ASP A 21 -4.967 -11.096 -8.964 1.00 0.00 O ATOM 312 CB ASP A 21 -6.490 -12.806 -6.301 1.00 0.00 C ATOM 313 CG ASP A 21 -7.413 -13.852 -6.930 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.966 -13.571 -7.979 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.551 -14.917 -6.350 1.00 0.00 O ATOM 0 H ASP A 21 -4.145 -12.566 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.233 -13.401 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.217 -13.108 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.009 -11.851 -6.219 1.00 0.00 H new ATOM 320 N ARG A 22 -5.485 -10.241 -7.008 1.00 0.00 N ATOM 321 CA ARG A 22 -5.487 -8.859 -7.562 1.00 0.00 C ATOM 322 C ARG A 22 -5.820 -7.864 -6.451 1.00 0.00 C ATOM 323 O ARG A 22 -6.469 -6.861 -6.678 1.00 0.00 O ATOM 324 CB ARG A 22 -6.544 -8.758 -8.663 1.00 0.00 C ATOM 325 CG ARG A 22 -7.887 -9.260 -8.129 1.00 0.00 C ATOM 326 CD ARG A 22 -8.547 -10.160 -9.174 1.00 0.00 C ATOM 327 NE ARG A 22 -9.190 -9.318 -10.221 1.00 0.00 N ATOM 328 CZ ARG A 22 -10.042 -9.850 -11.055 1.00 0.00 C ATOM 329 NH1 ARG A 22 -9.739 -10.953 -11.681 1.00 0.00 N ATOM 330 NH2 ARG A 22 -11.197 -9.279 -11.260 1.00 0.00 N ATOM 0 H ARG A 22 -5.702 -10.311 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.504 -8.630 -7.973 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.637 -7.725 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.241 -9.348 -9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.738 -9.811 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.537 -8.416 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.803 -10.816 -9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.291 -10.800 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.965 -8.325 -10.286 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.837 -11.400 -11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.404 -11.369 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.434 -8.417 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.863 -9.694 -11.912 1.00 0.00 H new ATOM 344 N GLN A 23 -5.388 -8.132 -5.248 1.00 0.00 N ATOM 345 CA GLN A 23 -5.693 -7.198 -4.128 1.00 0.00 C ATOM 346 C GLN A 23 -4.452 -7.012 -3.249 1.00 0.00 C ATOM 347 O GLN A 23 -3.665 -7.919 -3.071 1.00 0.00 O ATOM 348 CB GLN A 23 -6.832 -7.774 -3.287 1.00 0.00 C ATOM 349 CG GLN A 23 -6.506 -9.224 -2.918 1.00 0.00 C ATOM 350 CD GLN A 23 -7.714 -9.864 -2.233 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.233 -9.334 -1.270 1.00 0.00 O ATOM 352 NE2 GLN A 23 -8.187 -10.991 -2.692 1.00 0.00 N ATOM 0 H GLN A 23 -4.840 -8.954 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.988 -6.231 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.969 -7.179 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.768 -7.730 -3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.243 -9.787 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.641 -9.255 -2.256 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.751 -11.436 -3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.992 -11.427 -2.243 1.00 0.00 H new ATOM 361 N LEU A 24 -4.274 -5.837 -2.697 1.00 0.00 N ATOM 362 CA LEU A 24 -3.084 -5.586 -1.831 1.00 0.00 C ATOM 363 C LEU A 24 -3.495 -4.758 -0.618 1.00 0.00 C ATOM 364 O LEU A 24 -4.424 -3.980 -0.671 1.00 0.00 O ATOM 365 CB LEU A 24 -2.026 -4.798 -2.609 1.00 0.00 C ATOM 366 CG LEU A 24 -0.891 -5.732 -3.017 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.226 -6.295 -1.761 1.00 0.00 C ATOM 368 CD2 LEU A 24 -1.450 -6.882 -3.851 1.00 0.00 C ATOM 0 H LEU A 24 -4.902 -5.042 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.678 -6.547 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.473 -4.344 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.639 -3.985 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.159 -5.180 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.586 -6.963 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.172 -5.476 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.962 -6.848 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.638 -7.549 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.181 -7.436 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.930 -6.483 -4.745 1.00 0.00 H new ATOM 380 N THR A 25 -2.786 -4.890 0.467 1.00 0.00 N ATOM 381 CA THR A 25 -3.119 -4.076 1.670 1.00 0.00 C ATOM 382 C THR A 25 -2.186 -2.871 1.697 1.00 0.00 C ATOM 383 O THR A 25 -1.228 -2.808 0.953 1.00 0.00 O ATOM 384 CB THR A 25 -2.943 -4.904 2.953 1.00 0.00 C ATOM 385 OG1 THR A 25 -2.417 -4.071 3.978 1.00 0.00 O ATOM 386 CG2 THR A 25 -1.986 -6.073 2.706 1.00 0.00 C ATOM 0 H THR A 25 -1.993 -5.523 0.574 1.00 0.00 H new ATOM 0 HA THR A 25 -4.159 -3.754 1.621 1.00 0.00 H new ATOM 0 HB THR A 25 -3.912 -5.301 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.304 -4.594 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.872 -6.650 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.390 -6.714 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.014 -5.689 2.396 1.00 0.00 H new ATOM 394 N LEU A 26 -2.448 -1.910 2.533 1.00 0.00 N ATOM 395 CA LEU A 26 -1.554 -0.724 2.567 1.00 0.00 C ATOM 396 C LEU A 26 -0.107 -1.204 2.677 1.00 0.00 C ATOM 397 O LEU A 26 0.723 -0.884 1.853 1.00 0.00 O ATOM 398 CB LEU A 26 -1.908 0.156 3.766 1.00 0.00 C ATOM 399 CG LEU A 26 -3.097 1.048 3.405 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.253 0.769 4.365 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.687 2.518 3.517 1.00 0.00 C ATOM 0 H LEU A 26 -3.231 -1.893 3.186 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.678 -0.138 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.153 -0.465 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.051 0.768 4.048 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.412 0.836 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.101 1.404 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.547 -0.278 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.937 0.981 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.535 3.153 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.371 2.731 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.862 2.719 2.833 1.00 0.00 H new ATOM 413 N SER A 27 0.199 -1.987 3.675 1.00 0.00 N ATOM 414 CA SER A 27 1.593 -2.495 3.823 1.00 0.00 C ATOM 415 C SER A 27 1.809 -3.711 2.913 1.00 0.00 C ATOM 416 O SER A 27 2.778 -4.432 3.050 1.00 0.00 O ATOM 417 CB SER A 27 1.834 -2.904 5.277 1.00 0.00 C ATOM 418 OG SER A 27 3.232 -2.994 5.515 1.00 0.00 O ATOM 0 H SER A 27 -0.455 -2.297 4.394 1.00 0.00 H new ATOM 0 HA SER A 27 2.291 -1.707 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.385 -2.174 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.356 -3.862 5.481 1.00 0.00 H new ATOM 0 HG SER A 27 3.651 -3.523 4.804 1.00 0.00 H new ATOM 424 N GLY A 28 0.934 -3.932 1.967 1.00 0.00 N ATOM 425 CA GLY A 28 1.114 -5.080 1.038 1.00 0.00 C ATOM 426 C GLY A 28 1.680 -4.522 -0.255 1.00 0.00 C ATOM 427 O GLY A 28 2.679 -4.977 -0.776 1.00 0.00 O ATOM 0 H GLY A 28 0.103 -3.365 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.790 -5.820 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.164 -5.582 0.858 1.00 0.00 H new ATOM 431 N ILE A 29 1.038 -3.509 -0.752 1.00 0.00 N ATOM 432 CA ILE A 29 1.495 -2.849 -1.990 1.00 0.00 C ATOM 433 C ILE A 29 2.940 -2.419 -1.796 1.00 0.00 C ATOM 434 O ILE A 29 3.728 -2.383 -2.721 1.00 0.00 O ATOM 435 CB ILE A 29 0.590 -1.642 -2.241 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.852 -1.072 -3.639 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.794 -0.572 -1.160 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.026 -0.100 -3.606 1.00 0.00 C ATOM 0 H ILE A 29 0.197 -3.105 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 29 1.442 -3.518 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.449 -1.967 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.063 -1.883 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.040 -0.563 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.140 0.277 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.555 -0.992 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.832 -0.240 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.199 0.296 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.800 0.721 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.920 -0.621 -3.262 1.00 0.00 H new ATOM 450 N TYR A 30 3.289 -2.106 -0.589 1.00 0.00 N ATOM 451 CA TYR A 30 4.682 -1.675 -0.303 1.00 0.00 C ATOM 452 C TYR A 30 5.618 -2.880 -0.358 1.00 0.00 C ATOM 453 O TYR A 30 6.561 -2.909 -1.120 1.00 0.00 O ATOM 454 CB TYR A 30 4.740 -1.035 1.085 1.00 0.00 C ATOM 455 CG TYR A 30 3.618 -0.036 1.207 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.130 0.603 0.064 1.00 0.00 C ATOM 457 CD2 TYR A 30 3.059 0.245 2.457 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.087 1.523 0.168 1.00 0.00 C ATOM 459 CE2 TYR A 30 2.012 1.167 2.562 1.00 0.00 C ATOM 460 CZ TYR A 30 1.524 1.807 1.417 1.00 0.00 C ATOM 461 OH TYR A 30 0.492 2.716 1.520 1.00 0.00 O ATOM 0 H TYR A 30 2.668 -2.129 0.220 1.00 0.00 H new ATOM 0 HA TYR A 30 4.997 -0.947 -1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.650 -1.799 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.701 -0.543 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.561 0.384 -0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.435 -0.249 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.713 2.017 -0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.580 1.385 3.527 1.00 0.00 H new ATOM 0 HH TYR A 30 0.860 3.620 1.604 1.00 0.00 H new ATOM 471 N ALA A 31 5.368 -3.877 0.440 1.00 0.00 N ATOM 472 CA ALA A 31 6.249 -5.073 0.418 1.00 0.00 C ATOM 473 C ALA A 31 6.251 -5.671 -0.990 1.00 0.00 C ATOM 474 O ALA A 31 7.108 -6.459 -1.339 1.00 0.00 O ATOM 475 CB ALA A 31 5.726 -6.110 1.415 1.00 0.00 C ATOM 0 H ALA A 31 4.595 -3.915 1.104 1.00 0.00 H new ATOM 0 HA ALA A 31 7.264 -4.787 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.372 -6.988 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.721 -5.681 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.712 -6.401 1.140 1.00 0.00 H new ATOM 481 N HIS A 32 5.294 -5.306 -1.804 1.00 0.00 N ATOM 482 CA HIS A 32 5.242 -5.860 -3.184 1.00 0.00 C ATOM 483 C HIS A 32 6.263 -5.152 -4.081 1.00 0.00 C ATOM 484 O HIS A 32 7.161 -5.766 -4.622 1.00 0.00 O ATOM 485 CB HIS A 32 3.842 -5.660 -3.761 1.00 0.00 C ATOM 486 CG HIS A 32 3.812 -6.219 -5.156 1.00 0.00 C ATOM 487 ND1 HIS A 32 4.593 -5.972 -6.257 1.00 0.00 N flip ATOM 488 CD2 HIS A 32 2.894 -7.180 -5.550 1.00 0.00 C flip ATOM 489 CE1 HIS A 32 4.168 -6.766 -7.319 1.00 0.00 C flip ATOM 490 NE2 HIS A 32 3.143 -7.474 -6.838 1.00 0.00 N flip ATOM 0 H HIS A 32 4.549 -4.649 -1.571 1.00 0.00 H new ATOM 0 HA HIS A 32 5.479 -6.923 -3.145 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.101 -6.160 -3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.586 -4.601 -3.773 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.367 -5.308 -6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.120 -7.614 -4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.579 -6.802 -8.317 1.00 0.00 H new ATOM 498 N ILE A 33 6.116 -3.868 -4.262 1.00 0.00 N ATOM 499 CA ILE A 33 7.059 -3.122 -5.146 1.00 0.00 C ATOM 500 C ILE A 33 8.508 -3.359 -4.705 1.00 0.00 C ATOM 501 O ILE A 33 9.341 -3.758 -5.492 1.00 0.00 O ATOM 502 CB ILE A 33 6.740 -1.625 -5.089 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.663 -1.167 -3.631 1.00 0.00 C ATOM 504 CG2 ILE A 33 5.395 -1.366 -5.771 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.987 -0.512 -3.233 1.00 0.00 C ATOM 0 H ILE A 33 5.383 -3.302 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 33 6.942 -3.482 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 33 7.526 -1.070 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.842 -0.461 -3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.456 -2.018 -2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.166 -0.301 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.447 -1.688 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.613 -1.925 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.934 -0.185 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.797 -1.232 -3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.175 0.349 -3.875 1.00 0.00 H new ATOM 517 N THR A 34 8.828 -3.122 -3.461 1.00 0.00 N ATOM 518 CA THR A 34 10.237 -3.339 -3.014 1.00 0.00 C ATOM 519 C THR A 34 10.640 -4.797 -3.257 1.00 0.00 C ATOM 520 O THR A 34 11.803 -5.146 -3.201 1.00 0.00 O ATOM 521 CB THR A 34 10.390 -3.001 -1.523 1.00 0.00 C ATOM 522 OG1 THR A 34 11.417 -3.805 -0.961 1.00 0.00 O ATOM 523 CG2 THR A 34 9.080 -3.263 -0.784 1.00 0.00 C ATOM 0 H THR A 34 8.185 -2.792 -2.742 1.00 0.00 H new ATOM 0 HA THR A 34 10.888 -2.681 -3.589 1.00 0.00 H new ATOM 0 HB THR A 34 10.648 -1.947 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.279 -3.350 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.203 -3.019 0.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.291 -2.643 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.809 -4.314 -0.885 1.00 0.00 H new ATOM 531 N LYS A 35 9.693 -5.654 -3.535 1.00 0.00 N ATOM 532 CA LYS A 35 10.034 -7.081 -3.790 1.00 0.00 C ATOM 533 C LYS A 35 10.595 -7.224 -5.208 1.00 0.00 C ATOM 534 O LYS A 35 11.582 -7.899 -5.430 1.00 0.00 O ATOM 535 CB LYS A 35 8.773 -7.937 -3.653 1.00 0.00 C ATOM 536 CG LYS A 35 9.167 -9.409 -3.523 1.00 0.00 C ATOM 537 CD LYS A 35 8.637 -9.966 -2.201 1.00 0.00 C ATOM 538 CE LYS A 35 9.701 -10.857 -1.555 1.00 0.00 C ATOM 539 NZ LYS A 35 10.168 -10.231 -0.285 1.00 0.00 N ATOM 0 H LYS A 35 8.701 -5.426 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 35 10.780 -7.413 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.201 -7.624 -2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.130 -7.797 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.762 -9.980 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.251 -9.511 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.376 -9.148 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.726 -10.538 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.290 -11.847 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.541 -10.992 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.891 -10.836 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.575 -9.296 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.364 -10.124 0.366 1.00 0.00 H new ATOM 553 N HIS A 36 9.976 -6.593 -6.169 1.00 0.00 N ATOM 554 CA HIS A 36 10.475 -6.689 -7.573 1.00 0.00 C ATOM 555 C HIS A 36 11.178 -5.386 -7.954 1.00 0.00 C ATOM 556 O HIS A 36 11.938 -5.332 -8.901 1.00 0.00 O ATOM 557 CB HIS A 36 9.295 -6.924 -8.520 1.00 0.00 C ATOM 558 CG HIS A 36 8.332 -7.894 -7.891 1.00 0.00 C ATOM 559 ND1 HIS A 36 7.359 -7.731 -6.938 1.00 0.00 N flip ATOM 560 CD2 HIS A 36 8.303 -9.236 -8.236 1.00 0.00 C flip ATOM 561 CE1 HIS A 36 6.734 -8.949 -6.693 1.00 0.00 C flip ATOM 562 NE2 HIS A 36 7.342 -9.822 -7.500 1.00 0.00 N flip ATOM 0 H HIS A 36 9.145 -6.014 -6.043 1.00 0.00 H new ATOM 0 HA HIS A 36 11.177 -7.519 -7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.791 -5.981 -8.732 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.652 -7.316 -9.473 1.00 0.00 H new ATOM 0 HD1 HIS A 36 7.129 -6.850 -6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.936 -9.722 -8.963 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.930 -9.146 -5.999 1.00 0.00 H new ATOM 570 N TYR A 37 10.932 -4.336 -7.221 1.00 0.00 N ATOM 571 CA TYR A 37 11.587 -3.035 -7.537 1.00 0.00 C ATOM 572 C TYR A 37 12.819 -2.863 -6.638 1.00 0.00 C ATOM 573 O TYR A 37 12.695 -2.843 -5.429 1.00 0.00 O ATOM 574 CB TYR A 37 10.602 -1.890 -7.278 1.00 0.00 C ATOM 575 CG TYR A 37 10.326 -1.158 -8.566 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.232 -1.870 -9.765 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.159 0.232 -8.559 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.971 -1.194 -10.960 1.00 0.00 C ATOM 579 CE2 TYR A 37 9.896 0.909 -9.754 1.00 0.00 C ATOM 580 CZ TYR A 37 9.803 0.197 -10.956 1.00 0.00 C ATOM 581 OH TYR A 37 9.545 0.864 -12.136 1.00 0.00 O ATOM 0 H TYR A 37 10.305 -4.322 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 37 11.890 -3.020 -8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.673 -2.283 -6.865 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.014 -1.203 -6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.361 -2.942 -9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.233 0.781 -7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.899 -1.744 -11.887 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.765 1.981 -9.750 1.00 0.00 H new ATOM 0 HH TYR A 37 8.594 0.782 -12.357 1.00 0.00 H new ATOM 591 N PRO A 38 13.974 -2.751 -7.248 1.00 0.00 N ATOM 592 CA PRO A 38 15.242 -2.590 -6.515 1.00 0.00 C ATOM 593 C PRO A 38 15.407 -1.146 -6.031 1.00 0.00 C ATOM 594 O PRO A 38 16.399 -0.796 -5.422 1.00 0.00 O ATOM 595 CB PRO A 38 16.307 -2.941 -7.558 1.00 0.00 C ATOM 596 CG PRO A 38 15.649 -2.730 -8.941 1.00 0.00 C ATOM 597 CD PRO A 38 14.125 -2.776 -8.718 1.00 0.00 C ATOM 0 HA PRO A 38 15.301 -3.214 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.186 -2.306 -7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.641 -3.972 -7.440 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.949 -1.774 -9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.961 -3.505 -9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.628 -1.925 -9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.686 -3.676 -9.148 1.00 0.00 H new ATOM 605 N TYR A 39 14.442 -0.308 -6.292 1.00 0.00 N ATOM 606 CA TYR A 39 14.547 1.109 -5.843 1.00 0.00 C ATOM 607 C TYR A 39 14.003 1.230 -4.418 1.00 0.00 C ATOM 608 O TYR A 39 14.647 1.768 -3.540 1.00 0.00 O ATOM 609 CB TYR A 39 13.729 2.002 -6.777 1.00 0.00 C ATOM 610 CG TYR A 39 13.731 3.420 -6.251 1.00 0.00 C ATOM 611 CD1 TYR A 39 14.915 4.168 -6.260 1.00 0.00 C ATOM 612 CD2 TYR A 39 12.549 3.987 -5.757 1.00 0.00 C ATOM 613 CE1 TYR A 39 14.918 5.480 -5.774 1.00 0.00 C ATOM 614 CE2 TYR A 39 12.552 5.299 -5.271 1.00 0.00 C ATOM 615 CZ TYR A 39 13.737 6.047 -5.279 1.00 0.00 C ATOM 616 OH TYR A 39 13.740 7.341 -4.800 1.00 0.00 O ATOM 0 H TYR A 39 13.587 -0.542 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 39 15.591 1.422 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.149 1.975 -7.783 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.707 1.631 -6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 39 15.826 3.732 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.635 3.411 -5.751 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.832 6.056 -5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.641 5.735 -4.890 1.00 0.00 H new ATOM 0 HH TYR A 39 14.420 7.864 -5.274 1.00 0.00 H new ATOM 626 N TYR A 40 12.820 0.733 -4.183 1.00 0.00 N ATOM 627 CA TYR A 40 12.231 0.817 -2.817 1.00 0.00 C ATOM 628 C TYR A 40 12.891 -0.224 -1.910 1.00 0.00 C ATOM 629 O TYR A 40 12.650 -1.408 -2.034 1.00 0.00 O ATOM 630 CB TYR A 40 10.728 0.549 -2.901 1.00 0.00 C ATOM 631 CG TYR A 40 10.033 1.786 -3.414 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.063 2.967 -2.662 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.361 1.756 -4.642 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.421 4.117 -3.136 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.720 2.905 -5.116 1.00 0.00 C ATOM 636 CZ TYR A 40 8.750 4.086 -4.365 1.00 0.00 C ATOM 637 OH TYR A 40 8.117 5.220 -4.833 1.00 0.00 O ATOM 0 H TYR A 40 12.235 0.271 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 40 12.401 1.811 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.533 -0.294 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.339 0.279 -1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.582 2.991 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.338 0.846 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.443 5.027 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.201 2.881 -6.063 1.00 0.00 H new ATOM 0 HH TYR A 40 7.545 5.590 -4.128 1.00 0.00 H new ATOM 647 N ARG A 41 13.727 0.203 -0.998 1.00 0.00 N ATOM 648 CA ARG A 41 14.399 -0.770 -0.092 1.00 0.00 C ATOM 649 C ARG A 41 14.867 -0.052 1.176 1.00 0.00 C ATOM 650 O ARG A 41 14.669 -0.523 2.277 1.00 0.00 O ATOM 651 CB ARG A 41 15.604 -1.378 -0.814 1.00 0.00 C ATOM 652 CG ARG A 41 16.401 -2.258 0.152 1.00 0.00 C ATOM 653 CD ARG A 41 17.896 -2.070 -0.105 1.00 0.00 C ATOM 654 NE ARG A 41 18.676 -2.869 0.882 1.00 0.00 N ATOM 655 CZ ARG A 41 19.378 -3.894 0.481 1.00 0.00 C ATOM 656 NH1 ARG A 41 18.776 -4.950 0.005 1.00 0.00 N ATOM 657 NH2 ARG A 41 20.680 -3.863 0.557 1.00 0.00 N ATOM 0 H ARG A 41 13.971 1.181 -0.844 1.00 0.00 H new ATOM 0 HA ARG A 41 13.700 -1.560 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.268 -1.970 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.241 -0.586 -1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.162 -1.995 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.127 -3.304 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.143 -2.384 -1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.160 -1.015 -0.024 1.00 0.00 H new ATOM 0 HE ARG A 41 18.661 -2.615 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.758 -4.974 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.324 -5.751 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 41 21.150 -3.038 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.228 -4.664 0.244 1.00 0.00 H new ATOM 671 N THR A 42 15.491 1.085 1.029 1.00 0.00 N ATOM 672 CA THR A 42 15.972 1.830 2.226 1.00 0.00 C ATOM 673 C THR A 42 15.477 3.277 2.160 1.00 0.00 C ATOM 674 O THR A 42 16.158 4.196 2.568 1.00 0.00 O ATOM 675 CB THR A 42 17.503 1.815 2.250 1.00 0.00 C ATOM 676 OG1 THR A 42 17.997 2.161 0.964 1.00 0.00 O ATOM 677 CG2 THR A 42 17.996 0.418 2.628 1.00 0.00 C ATOM 0 H THR A 42 15.688 1.529 0.132 1.00 0.00 H new ATOM 0 HA THR A 42 15.588 1.357 3.129 1.00 0.00 H new ATOM 0 HB THR A 42 17.862 2.535 2.985 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.977 2.154 0.977 1.00 0.00 H new ATOM 0 HG21 THR A 42 19.086 0.409 2.645 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.616 0.153 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.638 -0.305 1.895 1.00 0.00 H new ATOM 685 N ALA A 43 14.297 3.486 1.645 1.00 0.00 N ATOM 686 CA ALA A 43 13.759 4.871 1.549 1.00 0.00 C ATOM 687 C ALA A 43 12.250 4.808 1.296 1.00 0.00 C ATOM 688 O ALA A 43 11.811 4.339 0.266 1.00 0.00 O ATOM 689 CB ALA A 43 14.438 5.599 0.386 1.00 0.00 C ATOM 0 H ALA A 43 13.682 2.756 1.286 1.00 0.00 H new ATOM 0 HA ALA A 43 13.954 5.406 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.046 6.613 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.514 5.637 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.239 5.065 -0.543 1.00 0.00 H new ATOM 695 N ASP A 44 11.447 5.266 2.220 1.00 0.00 N ATOM 696 CA ASP A 44 9.975 5.210 2.001 1.00 0.00 C ATOM 697 C ASP A 44 9.281 6.335 2.768 1.00 0.00 C ATOM 698 O ASP A 44 8.151 6.199 3.196 1.00 0.00 O ATOM 699 CB ASP A 44 9.442 3.859 2.483 1.00 0.00 C ATOM 700 CG ASP A 44 9.844 3.643 3.943 1.00 0.00 C ATOM 701 OD1 ASP A 44 9.669 4.563 4.726 1.00 0.00 O ATOM 702 OD2 ASP A 44 10.320 2.563 4.254 1.00 0.00 O ATOM 0 H ASP A 44 11.744 5.672 3.107 1.00 0.00 H new ATOM 0 HA ASP A 44 9.770 5.330 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.357 3.828 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.841 3.056 1.862 1.00 0.00 H new ATOM 707 N LYS A 45 9.936 7.447 2.938 1.00 0.00 N ATOM 708 CA LYS A 45 9.296 8.575 3.668 1.00 0.00 C ATOM 709 C LYS A 45 8.561 9.469 2.665 1.00 0.00 C ATOM 710 O LYS A 45 8.798 10.658 2.591 1.00 0.00 O ATOM 711 CB LYS A 45 10.367 9.391 4.397 1.00 0.00 C ATOM 712 CG LYS A 45 10.590 8.805 5.793 1.00 0.00 C ATOM 713 CD LYS A 45 10.869 9.937 6.783 1.00 0.00 C ATOM 714 CE LYS A 45 9.702 10.926 6.770 1.00 0.00 C ATOM 715 NZ LYS A 45 9.081 10.978 8.123 1.00 0.00 N ATOM 0 H LYS A 45 10.884 7.624 2.605 1.00 0.00 H new ATOM 0 HA LYS A 45 8.587 8.184 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.299 9.376 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.057 10.433 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.711 8.241 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.427 8.107 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.005 9.532 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.795 10.447 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.054 11.916 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.962 10.622 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.287 11.650 8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.732 10.033 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.790 11.287 8.819 1.00 0.00 H new ATOM 729 N GLY A 46 7.673 8.906 1.887 1.00 0.00 N ATOM 730 CA GLY A 46 6.935 9.731 0.888 1.00 0.00 C ATOM 731 C GLY A 46 5.793 8.915 0.274 1.00 0.00 C ATOM 732 O GLY A 46 4.642 9.084 0.621 1.00 0.00 O ATOM 0 H GLY A 46 7.429 7.916 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.537 10.626 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.616 10.064 0.105 1.00 0.00 H new ATOM 736 N TRP A 47 6.098 8.041 -0.649 1.00 0.00 N ATOM 737 CA TRP A 47 5.023 7.233 -1.294 1.00 0.00 C ATOM 738 C TRP A 47 4.277 6.402 -0.248 1.00 0.00 C ATOM 739 O TRP A 47 3.230 5.849 -0.521 1.00 0.00 O ATOM 740 CB TRP A 47 5.625 6.307 -2.354 1.00 0.00 C ATOM 741 CG TRP A 47 6.449 5.236 -1.710 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.575 5.446 -0.988 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.245 3.791 -1.733 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.076 4.227 -0.576 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.296 3.180 -1.007 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.263 2.956 -2.307 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.378 1.799 -0.857 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.347 1.560 -2.154 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.405 0.987 -1.432 1.00 0.00 C ATOM 0 H TRP A 47 7.043 7.852 -0.983 1.00 0.00 H new ATOM 0 HA TRP A 47 4.319 7.915 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.828 5.855 -2.945 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.243 6.885 -3.041 1.00 0.00 H new ATOM 0 HD1 TRP A 47 8.010 6.410 -0.770 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.923 4.117 -0.019 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.446 3.389 -2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.191 1.360 -0.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.593 0.925 -2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.464 -0.086 -1.322 1.00 0.00 H new ATOM 760 N GLN A 48 4.795 6.309 0.946 1.00 0.00 N ATOM 761 CA GLN A 48 4.092 5.512 1.990 1.00 0.00 C ATOM 762 C GLN A 48 2.647 6.003 2.109 1.00 0.00 C ATOM 763 O GLN A 48 1.713 5.291 1.802 1.00 0.00 O ATOM 764 CB GLN A 48 4.805 5.679 3.334 1.00 0.00 C ATOM 765 CG GLN A 48 4.599 4.423 4.184 1.00 0.00 C ATOM 766 CD GLN A 48 5.061 3.191 3.400 1.00 0.00 C ATOM 767 OE1 GLN A 48 5.884 3.341 2.397 1.00 0.00 O flip ATOM 768 NE2 GLN A 48 4.669 2.082 3.703 1.00 0.00 N flip ATOM 0 H GLN A 48 5.667 6.747 1.242 1.00 0.00 H new ATOM 0 HA GLN A 48 4.099 4.458 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.869 5.851 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.416 6.552 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.160 4.506 5.115 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.548 4.322 4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.026 1.965 4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.983 1.268 3.174 1.00 0.00 H new ATOM 777 N ASN A 49 2.455 7.218 2.548 1.00 0.00 N ATOM 778 CA ASN A 49 1.070 7.757 2.680 1.00 0.00 C ATOM 779 C ASN A 49 0.503 8.037 1.288 1.00 0.00 C ATOM 780 O ASN A 49 -0.694 8.138 1.101 1.00 0.00 O ATOM 781 CB ASN A 49 1.102 9.056 3.488 1.00 0.00 C ATOM 782 CG ASN A 49 1.948 10.097 2.750 1.00 0.00 C ATOM 783 OD1 ASN A 49 1.665 10.434 1.617 1.00 0.00 O ATOM 784 ND2 ASN A 49 2.980 10.625 3.349 1.00 0.00 N ATOM 0 H ASN A 49 3.198 7.861 2.821 1.00 0.00 H new ATOM 0 HA ASN A 49 0.442 7.028 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.089 9.432 3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.518 8.870 4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.549 11.320 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.218 10.342 4.300 1.00 0.00 H new ATOM 791 N SER A 50 1.356 8.166 0.312 1.00 0.00 N ATOM 792 CA SER A 50 0.877 8.445 -1.069 1.00 0.00 C ATOM 793 C SER A 50 -0.014 7.297 -1.546 1.00 0.00 C ATOM 794 O SER A 50 -1.176 7.488 -1.843 1.00 0.00 O ATOM 795 CB SER A 50 2.080 8.575 -1.998 1.00 0.00 C ATOM 796 OG SER A 50 3.015 9.482 -1.428 1.00 0.00 O ATOM 0 H SER A 50 2.368 8.090 0.412 1.00 0.00 H new ATOM 0 HA SER A 50 0.303 9.372 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.545 7.601 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.761 8.931 -2.978 1.00 0.00 H new ATOM 0 HG SER A 50 3.368 9.107 -0.594 1.00 0.00 H new ATOM 802 N ILE A 51 0.522 6.109 -1.622 1.00 0.00 N ATOM 803 CA ILE A 51 -0.294 4.947 -2.081 1.00 0.00 C ATOM 804 C ILE A 51 -1.677 5.020 -1.429 1.00 0.00 C ATOM 805 O ILE A 51 -2.687 5.065 -2.101 1.00 0.00 O ATOM 806 CB ILE A 51 0.419 3.641 -1.679 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.465 3.230 -2.733 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.598 2.500 -1.549 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.867 4.415 -3.617 1.00 0.00 C ATOM 0 H ILE A 51 1.490 5.892 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.409 4.970 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 51 0.914 3.822 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.348 2.831 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.062 2.431 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.082 1.583 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.334 2.754 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.102 2.351 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.606 4.089 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.987 4.797 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.294 5.203 -2.997 1.00 0.00 H new ATOM 821 N ARG A 52 -1.731 5.040 -0.127 1.00 0.00 N ATOM 822 CA ARG A 52 -3.052 5.116 0.552 1.00 0.00 C ATOM 823 C ARG A 52 -3.863 6.245 -0.079 1.00 0.00 C ATOM 824 O ARG A 52 -5.042 6.108 -0.342 1.00 0.00 O ATOM 825 CB ARG A 52 -2.845 5.404 2.040 1.00 0.00 C ATOM 826 CG ARG A 52 -4.202 5.464 2.742 1.00 0.00 C ATOM 827 CD ARG A 52 -4.615 6.925 2.926 1.00 0.00 C ATOM 828 NE ARG A 52 -4.072 7.433 4.215 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.615 7.064 5.342 1.00 0.00 C ATOM 830 NH1 ARG A 52 -4.246 5.947 5.909 1.00 0.00 N ATOM 831 NH2 ARG A 52 -5.527 7.810 5.901 1.00 0.00 N ATOM 0 H ARG A 52 -0.922 5.007 0.493 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.583 4.171 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.226 4.627 2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.315 6.348 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.952 4.934 2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.145 4.966 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.241 7.527 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.702 7.011 2.917 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.275 8.070 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.533 5.364 5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.670 5.658 6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.815 8.682 5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.952 7.522 6.782 1.00 0.00 H new ATOM 845 N HIS A 53 -3.236 7.359 -0.333 1.00 0.00 N ATOM 846 CA HIS A 53 -3.959 8.500 -0.957 1.00 0.00 C ATOM 847 C HIS A 53 -4.181 8.208 -2.444 1.00 0.00 C ATOM 848 O HIS A 53 -5.174 8.603 -3.023 1.00 0.00 O ATOM 849 CB HIS A 53 -3.127 9.773 -0.801 1.00 0.00 C ATOM 850 CG HIS A 53 -3.845 10.924 -1.449 1.00 0.00 C ATOM 851 ND1 HIS A 53 -3.306 11.624 -2.517 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.058 11.511 -1.190 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.186 12.582 -2.859 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.271 12.557 -2.082 1.00 0.00 N ATOM 0 H HIS A 53 -2.250 7.528 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.923 8.636 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.959 9.983 0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.147 9.638 -1.259 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.743 11.207 -0.412 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.033 13.286 -3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.083 13.173 -2.132 1.00 0.00 H new ATOM 862 N ASN A 54 -3.262 7.518 -3.069 1.00 0.00 N ATOM 863 CA ASN A 54 -3.418 7.202 -4.516 1.00 0.00 C ATOM 864 C ASN A 54 -4.535 6.177 -4.694 1.00 0.00 C ATOM 865 O ASN A 54 -5.357 6.290 -5.579 1.00 0.00 O ATOM 866 CB ASN A 54 -2.108 6.628 -5.058 1.00 0.00 C ATOM 867 CG ASN A 54 -1.163 7.779 -5.405 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.121 8.002 -4.653 1.00 0.00 O flip ATOM 869 ND2 ASN A 54 -1.375 8.483 -6.373 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.410 7.160 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.668 8.112 -5.062 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.648 5.975 -4.316 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.301 6.020 -5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.190 8.309 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.738 9.248 -6.597 1.00 0.00 H new ATOM 876 N LEU A 55 -4.574 5.180 -3.858 1.00 0.00 N ATOM 877 CA LEU A 55 -5.640 4.151 -3.986 1.00 0.00 C ATOM 878 C LEU A 55 -7.008 4.839 -3.976 1.00 0.00 C ATOM 879 O LEU A 55 -7.996 4.283 -4.410 1.00 0.00 O ATOM 880 CB LEU A 55 -5.545 3.174 -2.812 1.00 0.00 C ATOM 881 CG LEU A 55 -4.181 2.484 -2.831 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.092 1.492 -1.672 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.009 1.740 -4.156 1.00 0.00 C ATOM 0 H LEU A 55 -3.915 5.033 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.516 3.604 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.682 3.706 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.341 2.432 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.394 3.231 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.119 1.001 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.216 2.023 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.878 0.743 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.037 1.247 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.797 0.994 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.071 2.449 -4.982 1.00 0.00 H new ATOM 895 N SER A 56 -7.070 6.049 -3.490 1.00 0.00 N ATOM 896 CA SER A 56 -8.372 6.774 -3.455 1.00 0.00 C ATOM 897 C SER A 56 -8.572 7.535 -4.769 1.00 0.00 C ATOM 898 O SER A 56 -9.575 7.384 -5.437 1.00 0.00 O ATOM 899 CB SER A 56 -8.371 7.762 -2.289 1.00 0.00 C ATOM 900 OG SER A 56 -9.067 7.190 -1.190 1.00 0.00 O ATOM 0 H SER A 56 -6.275 6.567 -3.116 1.00 0.00 H new ATOM 0 HA SER A 56 -9.183 6.057 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.347 8.002 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.845 8.697 -2.588 1.00 0.00 H new ATOM 0 HG SER A 56 -9.067 7.820 -0.439 1.00 0.00 H new ATOM 906 N LEU A 57 -7.630 8.360 -5.141 1.00 0.00 N ATOM 907 CA LEU A 57 -7.774 9.134 -6.406 1.00 0.00 C ATOM 908 C LEU A 57 -7.673 8.193 -7.611 1.00 0.00 C ATOM 909 O LEU A 57 -8.350 8.374 -8.604 1.00 0.00 O ATOM 910 CB LEU A 57 -6.675 10.195 -6.488 1.00 0.00 C ATOM 911 CG LEU A 57 -5.311 9.550 -6.245 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.556 9.442 -7.570 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.509 10.415 -5.269 1.00 0.00 C ATOM 0 H LEU A 57 -6.768 8.531 -4.623 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.749 9.621 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.692 10.673 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.855 10.976 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.447 8.554 -5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.583 8.982 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.129 8.829 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.417 10.437 -7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.535 9.958 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.372 11.410 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.048 10.494 -4.325 1.00 0.00 H new ATOM 925 N ASN A 58 -6.835 7.190 -7.538 1.00 0.00 N ATOM 926 CA ASN A 58 -6.706 6.248 -8.691 1.00 0.00 C ATOM 927 C ASN A 58 -8.104 5.895 -9.208 1.00 0.00 C ATOM 928 O ASN A 58 -9.021 5.670 -8.444 1.00 0.00 O ATOM 929 CB ASN A 58 -5.989 4.973 -8.242 1.00 0.00 C ATOM 930 CG ASN A 58 -4.562 5.310 -7.796 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.048 4.718 -6.869 1.00 0.00 O ATOM 932 ND2 ASN A 58 -3.897 6.243 -8.419 1.00 0.00 N ATOM 0 H ASN A 58 -6.239 6.983 -6.737 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.127 6.721 -9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.536 4.507 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.964 4.252 -9.059 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.947 6.474 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.327 6.742 -9.198 1.00 0.00 H new ATOM 939 N ARG A 59 -8.279 5.861 -10.502 1.00 0.00 N ATOM 940 CA ARG A 59 -9.623 5.544 -11.064 1.00 0.00 C ATOM 941 C ARG A 59 -9.773 4.035 -11.286 1.00 0.00 C ATOM 942 O ARG A 59 -10.868 3.511 -11.283 1.00 0.00 O ATOM 943 CB ARG A 59 -9.798 6.271 -12.400 1.00 0.00 C ATOM 944 CG ARG A 59 -9.142 7.653 -12.326 1.00 0.00 C ATOM 945 CD ARG A 59 -10.180 8.732 -12.638 1.00 0.00 C ATOM 946 NE ARG A 59 -9.696 9.570 -13.771 1.00 0.00 N ATOM 947 CZ ARG A 59 -10.536 10.309 -14.443 1.00 0.00 C ATOM 948 NH1 ARG A 59 -11.363 11.097 -13.812 1.00 0.00 N ATOM 949 NH2 ARG A 59 -10.546 10.261 -15.748 1.00 0.00 N ATOM 0 H ARG A 59 -7.550 6.039 -11.193 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.384 5.872 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.349 5.688 -13.204 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.858 6.373 -12.633 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.722 7.815 -11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.316 7.713 -13.035 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.134 8.271 -12.893 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.351 9.353 -11.759 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.707 9.566 -14.022 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.353 11.136 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.019 11.674 -14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.898 9.647 -16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.202 10.838 -16.275 1.00 0.00 H new ATOM 963 N TYR A 60 -8.693 3.331 -11.491 1.00 0.00 N ATOM 964 CA TYR A 60 -8.809 1.861 -11.724 1.00 0.00 C ATOM 965 C TYR A 60 -8.399 1.088 -10.469 1.00 0.00 C ATOM 966 O TYR A 60 -7.712 0.088 -10.544 1.00 0.00 O ATOM 967 CB TYR A 60 -7.910 1.445 -12.888 1.00 0.00 C ATOM 968 CG TYR A 60 -6.554 2.087 -12.740 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.327 3.362 -13.267 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.520 1.405 -12.086 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.070 3.960 -13.139 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.261 2.002 -11.958 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.035 3.280 -12.486 1.00 0.00 C ATOM 974 OH TYR A 60 -2.794 3.869 -12.360 1.00 0.00 O ATOM 0 H TYR A 60 -7.744 3.704 -11.507 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.847 1.631 -11.963 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.808 0.360 -12.911 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.363 1.743 -13.834 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.124 3.886 -13.774 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.694 0.419 -11.681 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.897 4.946 -13.544 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.464 1.478 -11.452 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.848 4.808 -12.634 1.00 0.00 H new ATOM 984 N PHE A 61 -8.823 1.528 -9.319 1.00 0.00 N ATOM 985 CA PHE A 61 -8.464 0.800 -8.069 1.00 0.00 C ATOM 986 C PHE A 61 -9.665 0.798 -7.125 1.00 0.00 C ATOM 987 O PHE A 61 -10.438 1.736 -7.083 1.00 0.00 O ATOM 988 CB PHE A 61 -7.284 1.486 -7.379 1.00 0.00 C ATOM 989 CG PHE A 61 -5.981 1.137 -8.071 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.824 -0.082 -8.754 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.916 2.043 -8.020 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.611 -0.382 -9.378 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.706 1.738 -8.644 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.555 0.529 -9.323 1.00 0.00 C ATOM 0 H PHE A 61 -9.401 2.358 -9.189 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.185 -0.223 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.429 2.566 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.240 1.180 -6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.642 -0.786 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.031 2.981 -7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.490 -1.318 -9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.885 2.439 -8.601 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.618 0.297 -9.808 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.831 -0.251 -6.369 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.983 -0.318 -5.429 1.00 0.00 C ATOM 1006 C ILE A 62 -10.601 -1.173 -4.218 1.00 0.00 C ATOM 1007 O ILE A 62 -9.486 -1.639 -4.100 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.185 -0.941 -6.149 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.994 -2.458 -6.254 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.299 -0.351 -7.555 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.076 -3.046 -7.160 1.00 0.00 C ATOM 0 H ILE A 62 -9.217 -1.066 -6.362 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.244 0.685 -5.091 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.092 -0.726 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.006 -2.684 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.047 -2.911 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.153 -0.794 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.436 0.728 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.389 -0.566 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.941 -4.125 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.059 -2.832 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.001 -2.601 -8.152 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.522 -1.389 -3.319 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.216 -2.219 -2.123 1.00 0.00 C ATOM 1025 C LYS A 63 -11.731 -3.641 -2.364 1.00 0.00 C ATOM 1026 O LYS A 63 -12.565 -3.866 -3.218 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.907 -1.611 -0.900 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.532 -0.133 -0.788 1.00 0.00 C ATOM 1029 CD LYS A 63 -10.330 0.019 0.145 1.00 0.00 C ATOM 1030 CE LYS A 63 -10.794 -0.092 1.598 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.126 0.960 2.416 1.00 0.00 N ATOM 0 H LYS A 63 -12.474 -1.025 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.141 -2.248 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.988 -1.718 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.607 -2.143 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.294 0.268 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.377 0.440 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.589 -0.751 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.847 0.982 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.877 0.021 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.556 -1.080 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.234 0.736 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.115 0.996 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.562 1.883 2.218 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.240 -4.611 -1.633 1.00 0.00 N ATOM 1046 CA VAL A 64 -11.711 -6.010 -1.856 1.00 0.00 C ATOM 1047 C VAL A 64 -13.133 -6.269 -1.303 1.00 0.00 C ATOM 1048 O VAL A 64 -13.832 -7.109 -1.832 1.00 0.00 O ATOM 1049 CB VAL A 64 -10.721 -7.006 -1.242 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -9.303 -6.650 -1.689 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -10.806 -6.959 0.285 1.00 0.00 C ATOM 0 H VAL A 64 -10.541 -4.496 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 64 -11.762 -6.153 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.970 -8.013 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.596 -7.357 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.241 -6.698 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.059 -5.641 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.099 -7.670 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.564 -5.955 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.816 -7.218 0.601 1.00 0.00 H new ATOM 1061 N PRO A 65 -13.537 -5.564 -0.271 1.00 0.00 N ATOM 1062 CA PRO A 65 -14.873 -5.747 0.319 1.00 0.00 C ATOM 1063 C PRO A 65 -15.921 -5.005 -0.516 1.00 0.00 C ATOM 1064 O PRO A 65 -15.603 -4.354 -1.492 1.00 0.00 O ATOM 1065 CB PRO A 65 -14.736 -5.134 1.716 1.00 0.00 C ATOM 1066 CG PRO A 65 -13.543 -4.153 1.646 1.00 0.00 C ATOM 1067 CD PRO A 65 -12.729 -4.536 0.396 1.00 0.00 C ATOM 0 HA PRO A 65 -15.196 -6.788 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.650 -4.614 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.560 -5.907 2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.892 -3.123 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.930 -4.224 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.569 -3.675 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.745 -4.919 0.666 1.00 0.00 H new ATOM 1075 N ARG A 66 -17.169 -5.104 -0.149 1.00 0.00 N ATOM 1076 CA ARG A 66 -18.232 -4.412 -0.931 1.00 0.00 C ATOM 1077 C ARG A 66 -17.970 -2.904 -0.945 1.00 0.00 C ATOM 1078 O ARG A 66 -17.765 -2.313 -1.986 1.00 0.00 O ATOM 1079 CB ARG A 66 -19.593 -4.689 -0.293 1.00 0.00 C ATOM 1080 CG ARG A 66 -20.083 -6.073 -0.723 1.00 0.00 C ATOM 1081 CD ARG A 66 -21.185 -6.544 0.226 1.00 0.00 C ATOM 1082 NE ARG A 66 -20.638 -7.576 1.151 1.00 0.00 N ATOM 1083 CZ ARG A 66 -21.400 -8.091 2.078 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -22.389 -8.875 1.749 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -21.173 -7.820 3.334 1.00 0.00 N ATOM 0 H ARG A 66 -17.498 -5.634 0.658 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.226 -4.785 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.515 -4.640 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -20.311 -3.927 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.461 -6.035 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.255 -6.782 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -21.574 -5.700 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -22.018 -6.956 -0.343 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.669 -7.880 1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -22.568 -9.086 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.984 -9.277 2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.400 -7.206 3.592 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.768 -8.222 4.058 1.00 0.00 H new ATOM 1099 N SER A 67 -17.976 -2.277 0.198 1.00 0.00 N ATOM 1100 CA SER A 67 -17.727 -0.808 0.238 1.00 0.00 C ATOM 1101 C SER A 67 -17.243 -0.409 1.632 1.00 0.00 C ATOM 1102 O SER A 67 -16.366 0.420 1.781 1.00 0.00 O ATOM 1103 CB SER A 67 -19.024 -0.064 -0.082 1.00 0.00 C ATOM 1104 OG SER A 67 -19.077 0.207 -1.477 1.00 0.00 O ATOM 0 H SER A 67 -18.142 -2.716 1.104 1.00 0.00 H new ATOM 0 HA SER A 67 -16.966 -0.549 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 67 -19.884 -0.663 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 67 -19.072 0.867 0.483 1.00 0.00 H new ATOM 0 HG SER A 67 -18.668 -0.535 -1.970 1.00 0.00 H new ATOM 1110 N GLN A 68 -17.805 -0.991 2.654 1.00 0.00 N ATOM 1111 CA GLN A 68 -17.374 -0.641 4.036 1.00 0.00 C ATOM 1112 C GLN A 68 -16.076 -1.386 4.365 1.00 0.00 C ATOM 1113 O GLN A 68 -15.943 -2.563 4.095 1.00 0.00 O ATOM 1114 CB GLN A 68 -18.466 -1.047 5.027 1.00 0.00 C ATOM 1115 CG GLN A 68 -19.663 -0.106 4.875 1.00 0.00 C ATOM 1116 CD GLN A 68 -20.871 -0.691 5.607 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -21.858 -1.041 4.991 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -20.838 -0.812 6.906 1.00 0.00 N ATOM 0 H GLN A 68 -18.543 -1.693 2.593 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.204 0.433 4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.773 -2.077 4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.082 -1.004 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.420 0.876 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.897 0.034 3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.010 -0.519 7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.640 -1.200 7.403 1.00 0.00 H new ATOM 1127 N GLU A 69 -15.115 -0.714 4.942 1.00 0.00 N ATOM 1128 CA GLU A 69 -13.833 -1.394 5.279 1.00 0.00 C ATOM 1129 C GLU A 69 -14.099 -2.511 6.292 1.00 0.00 C ATOM 1130 O GLU A 69 -14.856 -2.345 7.228 1.00 0.00 O ATOM 1131 CB GLU A 69 -12.859 -0.378 5.879 1.00 0.00 C ATOM 1132 CG GLU A 69 -12.895 0.912 5.057 1.00 0.00 C ATOM 1133 CD GLU A 69 -13.475 2.044 5.908 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -13.255 2.027 7.108 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -14.127 2.907 5.345 1.00 0.00 O ATOM 0 H GLU A 69 -15.163 0.273 5.193 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.399 -1.821 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.127 -0.169 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.849 -0.788 5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.890 1.172 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.501 0.769 4.162 1.00 0.00 H new ATOM 1142 N GLU A 70 -13.483 -3.650 6.116 1.00 0.00 N ATOM 1143 CA GLU A 70 -13.702 -4.773 7.069 1.00 0.00 C ATOM 1144 C GLU A 70 -12.494 -5.714 7.029 1.00 0.00 C ATOM 1145 O GLU A 70 -12.424 -6.593 6.192 1.00 0.00 O ATOM 1146 CB GLU A 70 -14.961 -5.543 6.664 1.00 0.00 C ATOM 1147 CG GLU A 70 -16.200 -4.759 7.098 1.00 0.00 C ATOM 1148 CD GLU A 70 -17.368 -5.724 7.310 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -17.147 -6.772 7.893 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -18.465 -5.398 6.885 1.00 0.00 O ATOM 0 H GLU A 70 -12.837 -3.850 5.352 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.825 -4.379 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.975 -5.697 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.961 -6.530 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.994 -4.213 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.459 -4.019 6.340 1.00 0.00 H new ATOM 1157 N PRO A 71 -11.574 -5.498 7.934 1.00 0.00 N ATOM 1158 CA PRO A 71 -10.348 -6.310 8.027 1.00 0.00 C ATOM 1159 C PRO A 71 -10.643 -7.663 8.681 1.00 0.00 C ATOM 1160 O PRO A 71 -11.556 -7.796 9.472 1.00 0.00 O ATOM 1161 CB PRO A 71 -9.424 -5.466 8.909 1.00 0.00 C ATOM 1162 CG PRO A 71 -10.341 -4.519 9.719 1.00 0.00 C ATOM 1163 CD PRO A 71 -11.671 -4.428 8.948 1.00 0.00 C ATOM 0 HA PRO A 71 -9.912 -6.537 7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.836 -6.099 9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.719 -4.899 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.503 -4.904 10.726 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.886 -3.534 9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.525 -4.580 9.608 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.797 -3.450 8.484 1.00 0.00 H new ATOM 1171 N GLY A 72 -9.877 -8.666 8.354 1.00 0.00 N ATOM 1172 CA GLY A 72 -10.109 -10.012 8.953 1.00 0.00 C ATOM 1173 C GLY A 72 -9.050 -10.986 8.430 1.00 0.00 C ATOM 1174 O GLY A 72 -7.885 -10.656 8.334 1.00 0.00 O ATOM 0 H GLY A 72 -9.099 -8.613 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.060 -9.953 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.107 -10.370 8.698 1.00 0.00 H new ATOM 1178 N LYS A 73 -9.446 -12.182 8.088 1.00 0.00 N ATOM 1179 CA LYS A 73 -8.458 -13.171 7.571 1.00 0.00 C ATOM 1180 C LYS A 73 -7.897 -12.679 6.235 1.00 0.00 C ATOM 1181 O LYS A 73 -6.802 -13.032 5.842 1.00 0.00 O ATOM 1182 CB LYS A 73 -9.145 -14.524 7.370 1.00 0.00 C ATOM 1183 CG LYS A 73 -9.748 -14.995 8.696 1.00 0.00 C ATOM 1184 CD LYS A 73 -11.265 -15.129 8.552 1.00 0.00 C ATOM 1185 CE LYS A 73 -11.787 -16.136 9.579 1.00 0.00 C ATOM 1186 NZ LYS A 73 -11.650 -17.516 9.036 1.00 0.00 N ATOM 0 H LYS A 73 -10.408 -12.516 8.144 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.645 -13.281 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.925 -14.438 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.426 -15.258 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.314 -15.952 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.509 -14.285 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.742 -14.160 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.518 -15.457 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.229 -16.043 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.831 -15.927 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.005 -18.201 9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.201 -17.600 8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.648 -17.713 8.836 1.00 0.00 H new ATOM 1200 N GLY A 74 -8.641 -11.868 5.532 1.00 0.00 N ATOM 1201 CA GLY A 74 -8.150 -11.356 4.221 1.00 0.00 C ATOM 1202 C GLY A 74 -8.991 -10.148 3.798 1.00 0.00 C ATOM 1203 O GLY A 74 -10.175 -10.260 3.547 1.00 0.00 O ATOM 0 H GLY A 74 -9.566 -11.539 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.100 -11.073 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.213 -12.139 3.466 1.00 0.00 H new ATOM 1207 N SER A 75 -8.389 -8.992 3.718 1.00 0.00 N ATOM 1208 CA SER A 75 -9.157 -7.781 3.312 1.00 0.00 C ATOM 1209 C SER A 75 -8.188 -6.666 2.919 1.00 0.00 C ATOM 1210 O SER A 75 -7.556 -6.057 3.760 1.00 0.00 O ATOM 1211 CB SER A 75 -10.010 -7.307 4.487 1.00 0.00 C ATOM 1212 OG SER A 75 -10.747 -8.405 5.008 1.00 0.00 O ATOM 0 H SER A 75 -7.401 -8.834 3.916 1.00 0.00 H new ATOM 0 HA SER A 75 -9.796 -8.027 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.375 -6.880 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.690 -6.519 4.163 1.00 0.00 H new ATOM 0 HG SER A 75 -11.013 -8.998 4.274 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.066 -6.384 1.651 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.136 -5.298 1.227 1.00 0.00 C ATOM 1220 C PHE A 76 -7.701 -4.542 0.024 1.00 0.00 C ATOM 1221 O PHE A 76 -8.883 -4.570 -0.257 1.00 0.00 O ATOM 1222 CB PHE A 76 -5.773 -5.869 0.822 1.00 0.00 C ATOM 1223 CG PHE A 76 -5.692 -7.351 1.084 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -5.492 -7.825 2.385 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -5.791 -8.252 0.019 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.395 -9.200 2.620 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.697 -9.627 0.252 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.499 -10.103 1.554 1.00 0.00 C ATOM 0 H PHE A 76 -8.565 -6.854 0.895 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.021 -4.626 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.597 -5.676 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.985 -5.358 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.413 -7.129 3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.940 -7.885 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.240 -9.566 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.777 -10.322 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.427 -11.165 1.736 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.838 -3.868 -0.685 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.256 -3.095 -1.885 1.00 0.00 C ATOM 1240 C TRP A 77 -7.324 -4.027 -3.095 1.00 0.00 C ATOM 1241 O TRP A 77 -6.894 -5.160 -3.040 1.00 0.00 O ATOM 1242 CB TRP A 77 -6.195 -2.035 -2.176 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.503 -0.760 -1.466 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -6.105 -0.449 -0.210 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.243 0.389 -1.958 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.552 0.823 0.095 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -7.259 1.380 -0.951 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.896 0.664 -3.172 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.897 2.603 -1.141 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.541 1.894 -3.368 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.540 2.861 -2.354 1.00 0.00 C ATOM 0 H TRP A 77 -5.840 -3.821 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.229 -2.640 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.216 -2.401 -1.866 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.142 -1.854 -3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -5.533 -1.089 0.445 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -6.380 1.292 0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.901 -0.076 -3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.895 3.346 -0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -9.040 2.096 -4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.037 3.807 -2.510 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.823 -3.541 -4.198 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.877 -4.373 -5.433 1.00 0.00 C ATOM 1264 C ARG A 78 -8.061 -3.455 -6.637 1.00 0.00 C ATOM 1265 O ARG A 78 -8.525 -2.340 -6.513 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.031 -5.376 -5.372 1.00 0.00 C ATOM 1267 CG ARG A 78 -10.280 -4.714 -4.791 1.00 0.00 C ATOM 1268 CD ARG A 78 -11.518 -5.282 -5.491 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.529 -6.766 -5.354 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.619 -7.519 -6.416 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.729 -7.552 -7.100 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -10.600 -8.242 -6.792 1.00 0.00 N ATOM 0 H ARG A 78 -8.198 -2.598 -4.297 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.946 -4.933 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.244 -5.756 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.746 -6.231 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.338 -4.896 -3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.232 -3.634 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.422 -4.859 -5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.513 -5.003 -6.545 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.466 -7.193 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.527 -6.989 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.799 -8.141 -7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.733 -8.219 -6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.671 -8.830 -7.622 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.703 -3.911 -7.801 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.863 -3.051 -9.009 1.00 0.00 C ATOM 1288 C ILE A 79 -9.106 -3.493 -9.788 1.00 0.00 C ATOM 1289 O ILE A 79 -9.520 -4.633 -9.720 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.604 -3.151 -9.881 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.684 -4.392 -10.784 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.378 -3.260 -8.975 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.294 -4.727 -11.332 1.00 0.00 C ATOM 0 H ILE A 79 -7.308 -4.836 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.993 -2.011 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.527 -2.262 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.076 -5.238 -10.220 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.375 -4.210 -11.607 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.479 -3.332 -9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.315 -2.377 -8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.464 -4.150 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.357 -5.608 -11.971 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.919 -3.884 -11.912 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.615 -4.928 -10.503 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.710 -2.596 -10.521 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.934 -2.966 -11.289 1.00 0.00 C ATOM 1307 C ASP A 80 -10.606 -4.102 -12.262 1.00 0.00 C ATOM 1308 O ASP A 80 -9.481 -4.236 -12.702 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.437 -1.749 -12.070 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.690 -1.190 -11.393 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -12.787 -1.307 -10.183 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.531 -0.654 -12.095 1.00 0.00 O ATOM 0 H ASP A 80 -9.410 -1.626 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.709 -3.296 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.661 -0.984 -12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.662 -2.031 -13.099 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.606 -4.894 -12.557 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.471 -6.044 -13.468 1.00 0.00 C ATOM 1319 C PRO A 81 -11.447 -5.582 -14.928 1.00 0.00 C ATOM 1320 O PRO A 81 -10.542 -5.900 -15.673 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.721 -6.879 -13.179 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.760 -5.912 -12.562 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.968 -4.711 -12.012 1.00 0.00 C ATOM 0 HA PRO A 81 -10.546 -6.600 -13.317 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.106 -7.331 -14.093 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.493 -7.694 -12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.483 -5.590 -13.312 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.322 -6.402 -11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.403 -3.765 -12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.963 -4.703 -10.922 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.435 -4.838 -15.345 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.463 -4.365 -16.758 1.00 0.00 C ATOM 1333 C ALA A 82 -11.454 -3.231 -16.941 1.00 0.00 C ATOM 1334 O ALA A 82 -11.286 -2.710 -18.026 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.865 -3.864 -17.105 1.00 0.00 C ATOM 0 H ALA A 82 -13.222 -4.538 -14.770 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.201 -5.191 -17.419 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.883 -3.519 -18.139 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.582 -4.675 -16.981 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.131 -3.040 -16.443 1.00 0.00 H new ATOM 1341 N SER A 83 -10.760 -2.865 -15.901 1.00 0.00 N ATOM 1342 CA SER A 83 -9.743 -1.793 -16.030 1.00 0.00 C ATOM 1343 C SER A 83 -8.371 -2.452 -16.016 1.00 0.00 C ATOM 1344 O SER A 83 -7.372 -1.835 -16.318 1.00 0.00 O ATOM 1345 CB SER A 83 -9.851 -0.822 -14.852 1.00 0.00 C ATOM 1346 OG SER A 83 -11.220 -0.545 -14.592 1.00 0.00 O ATOM 0 H SER A 83 -10.855 -3.264 -14.967 1.00 0.00 H new ATOM 0 HA SER A 83 -9.898 -1.237 -16.954 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.381 -1.253 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.318 0.102 -15.078 1.00 0.00 H new ATOM 0 HG SER A 83 -11.288 0.191 -13.949 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.327 -3.713 -15.663 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.029 -4.434 -15.608 1.00 0.00 C ATOM 1354 C GLU A 84 -6.348 -4.356 -16.967 1.00 0.00 C ATOM 1355 O GLU A 84 -5.371 -3.659 -17.128 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.271 -5.904 -15.255 1.00 0.00 C ATOM 1357 CG GLU A 84 -7.256 -6.075 -13.734 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.274 -7.186 -13.356 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -5.282 -7.334 -14.049 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -6.532 -7.869 -12.378 1.00 0.00 O ATOM 0 H GLU A 84 -9.142 -4.272 -15.410 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.395 -3.974 -14.849 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.229 -6.233 -15.659 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.502 -6.529 -15.709 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.966 -5.140 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.255 -6.320 -13.375 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.854 -5.054 -17.946 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.216 -5.005 -19.294 1.00 0.00 C ATOM 1369 C ALA A 85 -5.836 -3.560 -19.622 1.00 0.00 C ATOM 1370 O ALA A 85 -4.916 -3.306 -20.376 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.197 -5.527 -20.347 1.00 0.00 C ATOM 0 H ALA A 85 -7.676 -5.653 -17.873 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.321 -5.628 -19.295 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.729 -5.490 -21.331 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.469 -6.556 -20.113 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.093 -4.907 -20.348 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.532 -2.610 -19.059 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.205 -1.185 -19.335 1.00 0.00 C ATOM 1379 C LYS A 86 -5.093 -0.721 -18.390 1.00 0.00 C ATOM 1380 O LYS A 86 -4.053 -0.266 -18.823 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.451 -0.322 -19.121 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.324 0.965 -19.936 1.00 0.00 C ATOM 1383 CD LYS A 86 -7.359 2.171 -18.996 1.00 0.00 C ATOM 1384 CE LYS A 86 -5.931 2.554 -18.601 1.00 0.00 C ATOM 1385 NZ LYS A 86 -5.966 3.735 -17.694 1.00 0.00 N ATOM 0 H LYS A 86 -7.313 -2.761 -18.420 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.868 -1.085 -20.367 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.343 -0.870 -19.424 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.566 -0.086 -18.063 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.393 0.959 -20.502 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.136 1.031 -20.660 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.850 3.012 -19.485 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.943 1.935 -18.106 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.442 1.715 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.345 2.783 -19.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.996 3.995 -17.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.416 4.535 -18.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.510 3.500 -16.840 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.299 -0.822 -17.102 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.239 -0.372 -16.152 1.00 0.00 C ATOM 1401 C LEU A 87 -2.956 -1.141 -16.408 1.00 0.00 C ATOM 1402 O LEU A 87 -1.928 -0.573 -16.718 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.673 -0.591 -14.695 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.422 -1.918 -14.535 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.616 -2.870 -13.659 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.769 -1.668 -13.854 1.00 0.00 C ATOM 0 H LEU A 87 -6.146 -1.192 -16.671 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.074 0.693 -16.313 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.797 -0.584 -14.047 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.313 0.232 -14.375 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.570 -2.355 -15.523 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.156 -3.810 -13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.648 -3.059 -14.122 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.467 -2.422 -12.676 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.300 -2.613 -13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.604 -1.225 -12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.364 -0.988 -14.463 1.00 0.00 H new ATOM 1418 N VAL A 88 -3.010 -2.425 -16.273 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.802 -3.249 -16.498 1.00 0.00 C ATOM 1420 C VAL A 88 -1.036 -2.749 -17.721 1.00 0.00 C ATOM 1421 O VAL A 88 0.171 -2.873 -17.802 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.239 -4.667 -16.764 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.920 -5.249 -15.523 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.212 -4.666 -17.940 1.00 0.00 C ATOM 0 H VAL A 88 -3.847 -2.947 -16.014 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.159 -3.189 -15.620 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.371 -5.282 -17.002 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.232 -6.274 -15.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.221 -5.241 -14.687 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.793 -4.647 -15.271 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.537 -5.686 -18.144 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.078 -4.051 -17.695 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.717 -4.260 -18.822 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.724 -2.193 -18.675 1.00 0.00 N ATOM 1435 CA GLU A 89 -1.028 -1.697 -19.893 1.00 0.00 C ATOM 1436 C GLU A 89 0.088 -0.755 -19.453 1.00 0.00 C ATOM 1437 O GLU A 89 1.159 -0.729 -20.026 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.021 -0.945 -20.783 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.305 -0.439 -22.038 1.00 0.00 C ATOM 1440 CD GLU A 89 -2.308 -0.333 -23.188 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -3.078 0.614 -23.193 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -2.291 -1.202 -24.046 1.00 0.00 O ATOM 0 H GLU A 89 -2.735 -2.060 -18.665 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.614 -2.532 -20.459 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.845 -1.602 -21.062 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.453 -0.107 -20.236 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.853 0.534 -21.845 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.497 -1.119 -22.308 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.146 -0.004 -18.415 1.00 0.00 N ATOM 1450 CA GLN A 90 0.910 0.910 -17.909 1.00 0.00 C ATOM 1451 C GLN A 90 1.738 0.153 -16.869 1.00 0.00 C ATOM 1452 O GLN A 90 2.851 0.524 -16.551 1.00 0.00 O ATOM 1453 CB GLN A 90 0.265 2.138 -17.263 1.00 0.00 C ATOM 1454 CG GLN A 90 0.987 3.402 -17.740 1.00 0.00 C ATOM 1455 CD GLN A 90 0.227 4.638 -17.257 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -0.314 4.633 -16.070 1.00 0.00 O flip ATOM 1457 NE2 GLN A 90 0.124 5.618 -17.967 1.00 0.00 N flip ATOM 0 H GLN A 90 -1.024 0.016 -17.896 1.00 0.00 H new ATOM 0 HA GLN A 90 1.547 1.241 -18.729 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.792 2.188 -17.526 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.320 2.062 -16.177 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.007 3.417 -17.357 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.055 3.406 -18.828 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.547 5.622 -18.895 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.385 6.437 -17.635 1.00 0.00 H new ATOM 1466 N ALA A 91 1.196 -0.915 -16.342 1.00 0.00 N ATOM 1467 CA ALA A 91 1.938 -1.713 -15.325 1.00 0.00 C ATOM 1468 C ALA A 91 2.951 -2.623 -16.024 1.00 0.00 C ATOM 1469 O ALA A 91 3.987 -2.946 -15.479 1.00 0.00 O ATOM 1470 CB ALA A 91 0.952 -2.564 -14.523 1.00 0.00 C ATOM 0 H ALA A 91 0.268 -1.268 -16.574 1.00 0.00 H new ATOM 0 HA ALA A 91 2.465 -1.038 -14.651 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.496 -3.147 -13.780 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.235 -1.914 -14.021 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.422 -3.238 -15.196 1.00 0.00 H new ATOM 1476 N PHE A 92 2.660 -3.038 -17.227 1.00 0.00 N ATOM 1477 CA PHE A 92 3.609 -3.925 -17.959 1.00 0.00 C ATOM 1478 C PHE A 92 4.698 -3.071 -18.613 1.00 0.00 C ATOM 1479 O PHE A 92 5.771 -3.547 -18.924 1.00 0.00 O ATOM 1480 CB PHE A 92 2.854 -4.703 -19.039 1.00 0.00 C ATOM 1481 CG PHE A 92 2.132 -5.871 -18.411 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.861 -6.903 -17.810 1.00 0.00 C ATOM 1483 CD2 PHE A 92 0.733 -5.922 -18.432 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.192 -7.987 -17.230 1.00 0.00 C ATOM 1485 CE2 PHE A 92 0.064 -7.005 -17.852 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.792 -8.038 -17.252 1.00 0.00 C ATOM 0 H PHE A 92 1.807 -2.802 -17.734 1.00 0.00 H new ATOM 0 HA PHE A 92 4.064 -4.626 -17.260 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.141 -4.049 -19.541 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.550 -5.059 -19.799 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.940 -6.863 -17.794 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.170 -5.125 -18.896 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.755 -8.784 -16.766 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.015 -7.044 -17.867 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.275 -8.875 -16.806 1.00 0.00 H new ATOM 1496 N ARG A 93 4.427 -1.813 -18.825 1.00 0.00 N ATOM 1497 CA ARG A 93 5.443 -0.926 -19.458 1.00 0.00 C ATOM 1498 C ARG A 93 5.815 0.194 -18.488 1.00 0.00 C ATOM 1499 O ARG A 93 5.290 0.282 -17.395 1.00 0.00 O ATOM 1500 CB ARG A 93 4.864 -0.321 -20.739 1.00 0.00 C ATOM 1501 CG ARG A 93 5.853 -0.518 -21.890 1.00 0.00 C ATOM 1502 CD ARG A 93 5.637 0.571 -22.943 1.00 0.00 C ATOM 1503 NE ARG A 93 5.561 -0.053 -24.294 1.00 0.00 N ATOM 1504 CZ ARG A 93 5.926 0.625 -25.347 1.00 0.00 C ATOM 1505 NH1 ARG A 93 7.056 1.280 -25.345 1.00 0.00 N ATOM 1506 NH2 ARG A 93 5.161 0.650 -26.405 1.00 0.00 N ATOM 0 H ARG A 93 3.545 -1.360 -18.587 1.00 0.00 H new ATOM 0 HA ARG A 93 6.333 -1.507 -19.701 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.912 -0.794 -20.979 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.665 0.741 -20.594 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.876 -0.478 -21.515 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.715 -1.503 -22.337 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.719 1.119 -22.732 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.454 1.292 -22.909 1.00 0.00 H new ATOM 0 HE ARG A 93 5.224 -1.010 -24.395 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.655 1.262 -24.519 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.340 1.810 -26.169 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.278 0.139 -26.408 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.446 1.180 -27.228 1.00 0.00 H new ATOM 1520 N LYS A 94 6.717 1.053 -18.875 1.00 0.00 N ATOM 1521 CA LYS A 94 7.122 2.166 -17.971 1.00 0.00 C ATOM 1522 C LYS A 94 6.063 3.268 -18.011 1.00 0.00 C ATOM 1523 O LYS A 94 5.006 3.108 -18.588 1.00 0.00 O ATOM 1524 CB LYS A 94 8.467 2.732 -18.429 1.00 0.00 C ATOM 1525 CG LYS A 94 9.598 1.850 -17.898 1.00 0.00 C ATOM 1526 CD LYS A 94 10.286 1.144 -19.068 1.00 0.00 C ATOM 1527 CE LYS A 94 11.423 2.020 -19.597 1.00 0.00 C ATOM 1528 NZ LYS A 94 10.867 3.050 -20.520 1.00 0.00 N ATOM 0 H LYS A 94 7.191 1.032 -19.778 1.00 0.00 H new ATOM 0 HA LYS A 94 7.215 1.790 -16.952 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.504 2.774 -19.518 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.587 3.753 -18.066 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.319 2.456 -17.350 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.202 1.115 -17.198 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.677 0.179 -18.745 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.565 0.947 -19.862 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.942 2.501 -18.768 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.157 1.406 -20.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.637 3.464 -21.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.172 2.608 -21.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.403 3.798 -19.966 1.00 0.00 H new ATOM 1542 N ARG A 95 6.338 4.386 -17.399 1.00 0.00 N ATOM 1543 CA ARG A 95 5.348 5.499 -17.398 1.00 0.00 C ATOM 1544 C ARG A 95 5.294 6.139 -18.787 1.00 0.00 C ATOM 1545 O ARG A 95 6.266 6.691 -19.264 1.00 0.00 O ATOM 1546 CB ARG A 95 5.765 6.552 -16.369 1.00 0.00 C ATOM 1547 CG ARG A 95 4.586 6.859 -15.444 1.00 0.00 C ATOM 1548 CD ARG A 95 5.026 7.851 -14.366 1.00 0.00 C ATOM 1549 NE ARG A 95 4.382 9.172 -14.611 1.00 0.00 N ATOM 1550 CZ ARG A 95 4.182 9.995 -13.618 1.00 0.00 C ATOM 1551 NH1 ARG A 95 5.068 10.094 -12.664 1.00 0.00 N ATOM 1552 NH2 ARG A 95 3.097 10.718 -13.578 1.00 0.00 N ATOM 0 H ARG A 95 7.206 4.577 -16.899 1.00 0.00 H new ATOM 0 HA ARG A 95 4.364 5.107 -17.141 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.613 6.191 -15.787 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.090 7.461 -16.875 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.758 7.274 -16.019 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.224 5.941 -14.982 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.750 7.478 -13.380 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.111 7.956 -14.375 1.00 0.00 H new ATOM 0 HE ARG A 95 4.097 9.433 -15.555 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.916 9.528 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.912 10.737 -11.888 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.405 10.640 -14.323 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.941 11.361 -12.802 1.00 0.00 H new ATOM 1566 N ARG A 96 4.164 6.075 -19.437 1.00 0.00 N ATOM 1567 CA ARG A 96 4.048 6.685 -20.791 1.00 0.00 C ATOM 1568 C ARG A 96 2.846 7.634 -20.815 1.00 0.00 C ATOM 1569 O ARG A 96 1.815 7.358 -20.233 1.00 0.00 O ATOM 1570 CB ARG A 96 3.852 5.583 -21.836 1.00 0.00 C ATOM 1571 CG ARG A 96 5.217 5.096 -22.327 1.00 0.00 C ATOM 1572 CD ARG A 96 5.923 6.229 -23.075 1.00 0.00 C ATOM 1573 NE ARG A 96 6.758 5.657 -24.169 1.00 0.00 N ATOM 1574 CZ ARG A 96 7.493 6.444 -24.909 1.00 0.00 C ATOM 1575 NH1 ARG A 96 8.711 6.735 -24.542 1.00 0.00 N ATOM 1576 NH2 ARG A 96 7.009 6.938 -26.015 1.00 0.00 N ATOM 0 H ARG A 96 3.317 5.627 -19.089 1.00 0.00 H new ATOM 0 HA ARG A 96 4.957 7.240 -21.021 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.292 4.753 -21.404 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.266 5.962 -22.674 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.824 4.769 -21.483 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.093 4.234 -22.983 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.188 6.920 -23.487 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.547 6.800 -22.387 1.00 0.00 H new ATOM 0 HE ARG A 96 6.756 4.651 -24.340 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.089 6.348 -23.677 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.285 7.349 -25.120 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.057 6.710 -26.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.582 7.552 -26.593 1.00 0.00 H new ATOM 1590 N GLN A 97 2.970 8.751 -21.477 1.00 0.00 N ATOM 1591 CA GLN A 97 1.833 9.715 -21.528 1.00 0.00 C ATOM 1592 C GLN A 97 1.586 10.150 -22.975 1.00 0.00 C ATOM 1593 O GLN A 97 1.162 11.259 -23.234 1.00 0.00 O ATOM 1594 CB GLN A 97 2.169 10.941 -20.677 1.00 0.00 C ATOM 1595 CG GLN A 97 2.503 10.494 -19.253 1.00 0.00 C ATOM 1596 CD GLN A 97 1.312 9.736 -18.665 1.00 0.00 C ATOM 1597 OE1 GLN A 97 1.443 8.603 -18.248 1.00 0.00 O ATOM 1598 NE2 GLN A 97 0.146 10.319 -18.618 1.00 0.00 N ATOM 0 H GLN A 97 3.807 9.038 -21.984 1.00 0.00 H new ATOM 0 HA GLN A 97 0.935 9.234 -21.140 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.014 11.477 -21.109 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.326 11.631 -20.665 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.387 9.856 -19.258 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.738 11.360 -18.634 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.037 11.271 -18.969 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.657 9.823 -18.231 1.00 0.00 H new ATOM 1607 N ARG A 98 1.846 9.289 -23.919 1.00 0.00 N ATOM 1608 CA ARG A 98 1.623 9.657 -25.346 1.00 0.00 C ATOM 1609 C ARG A 98 0.121 9.781 -25.617 1.00 0.00 C ATOM 1610 O ARG A 98 -0.324 10.684 -26.297 1.00 0.00 O ATOM 1611 CB ARG A 98 2.214 8.576 -26.254 1.00 0.00 C ATOM 1612 CG ARG A 98 1.587 7.224 -25.912 1.00 0.00 C ATOM 1613 CD ARG A 98 2.272 6.124 -26.726 1.00 0.00 C ATOM 1614 NE ARG A 98 1.262 5.114 -27.146 1.00 0.00 N ATOM 1615 CZ ARG A 98 1.079 4.038 -26.431 1.00 0.00 C ATOM 1616 NH1 ARG A 98 2.014 3.130 -26.368 1.00 0.00 N ATOM 1617 NH2 ARG A 98 -0.039 3.870 -25.779 1.00 0.00 N ATOM 0 H ARG A 98 2.203 8.346 -23.765 1.00 0.00 H new ATOM 0 HA ARG A 98 2.110 10.611 -25.551 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.027 8.822 -27.299 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.296 8.530 -26.126 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.692 7.022 -24.846 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.519 7.241 -26.130 1.00 0.00 H new ATOM 0 HD2 ARG A 98 2.758 6.554 -27.602 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.052 5.648 -26.131 1.00 0.00 H new ATOM 0 HE ARG A 98 0.713 5.263 -27.993 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.888 3.261 -26.878 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.871 2.289 -25.809 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.770 4.580 -25.828 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.182 3.029 -25.220 1.00 0.00 H new ATOM 1631 N GLY A 99 -0.663 8.882 -25.090 1.00 0.00 N ATOM 1632 CA GLY A 99 -2.134 8.950 -25.321 1.00 0.00 C ATOM 1633 C GLY A 99 -2.851 8.057 -24.306 1.00 0.00 C ATOM 1634 O GLY A 99 -3.263 6.957 -24.614 1.00 0.00 O ATOM 0 H GLY A 99 -0.350 8.104 -24.510 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.481 9.979 -25.225 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.369 8.627 -26.335 1.00 0.00 H new ATOM 1638 N VAL A 100 -3.002 8.522 -23.096 1.00 0.00 N ATOM 1639 CA VAL A 100 -3.692 7.702 -22.062 1.00 0.00 C ATOM 1640 C VAL A 100 -4.197 8.616 -20.943 1.00 0.00 C ATOM 1641 O VAL A 100 -4.158 8.269 -19.780 1.00 0.00 O ATOM 1642 CB VAL A 100 -2.709 6.682 -21.483 1.00 0.00 C ATOM 1643 CG1 VAL A 100 -1.494 7.413 -20.908 1.00 0.00 C ATOM 1644 CG2 VAL A 100 -3.396 5.884 -20.372 1.00 0.00 C ATOM 0 H VAL A 100 -2.677 9.435 -22.779 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.535 7.179 -22.513 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.385 6.003 -22.272 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.794 6.686 -20.496 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.004 7.981 -21.698 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.818 8.093 -20.120 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.696 5.157 -19.960 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.721 6.563 -19.584 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.261 5.362 -20.781 1.00 0.00 H new ATOM 1654 N SER A 101 -4.672 9.782 -21.287 1.00 0.00 N ATOM 1655 CA SER A 101 -5.178 10.718 -20.244 1.00 0.00 C ATOM 1656 C SER A 101 -4.125 10.873 -19.146 1.00 0.00 C ATOM 1657 O SER A 101 -3.354 11.815 -19.222 1.00 0.00 O ATOM 1658 CB SER A 101 -6.466 10.159 -19.639 1.00 0.00 C ATOM 1659 OG SER A 101 -6.669 10.733 -18.353 1.00 0.00 O ATOM 1660 OXT SER A 101 -4.107 10.047 -18.248 1.00 0.00 O ATOM 0 H SER A 101 -4.731 10.127 -22.245 1.00 0.00 H new ATOM 0 HA SER A 101 -5.380 11.690 -20.694 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.313 10.383 -20.288 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.403 9.074 -19.560 1.00 0.00 H new ATOM 0 HG SER A 101 -7.495 10.378 -17.963 1.00 0.00 H new TER 1666 SER A 101