USER MOD reduce.3.24.130724 H: found=0, std=0, add=1188, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1182 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 111 HIS HE2 : A 111 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 141 HIS HE2 : A 141 HIS NE2 : A 801 ZNZN :(H bumps) USER MOD NoAdj-H: A 145 HIS HE2 : A 145 HIS NE2 : A 801 ZNZN :(H bumps) USER MOD Set 1.1: A 134 ASN : amide:sc= -8.02! C(o=-8!,f=-9.3!) USER MOD Set 1.2: A 136 SER OG : rot 180:sc= -0.0107 USER MOD Set 2.1: A 114 THR OG1 : rot -90:sc= 0.106 USER MOD Set 2.2: A 116 THR OG1 : rot 31:sc= 0.59 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc= 0.878 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 6 SER OG : rot 18:sc= 0.323 USER MOD Single : A 8 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.8) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= -1.3! (180deg=-3.25!) USER MOD Single : A 12 GLN : amide:sc= -0.417 K(o=-0.42,f=-0.94) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0614 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0366 (180deg=-0.267) USER MOD Single : A 23 GLN : amide:sc= -14.8! C(o=-15!,f=-15!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0333 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.354 (180deg=-1.24!) USER MOD Single : A 30 SER OG : rot -154:sc= 0.221 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 38 MET CE :methyl 174:sc= -3.35 (180deg=-3.49) USER MOD Single : A 39 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -11.8! C(o=-12!,f=-3.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0267 K(o=-0.027,f=-0.92) USER MOD Single : A 57 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.41) USER MOD Single : A 58 HIS : no HD1:sc= -0.549 K(o=-0.55,f=-1.5) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= -1.57 (180deg=-1.6) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.91) USER MOD Single : A 86 THR OG1 : rot -76:sc= 0.83 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 61:sc= 1.35 USER MOD Single : A 107 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.63) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -150:sc= -0.0383 (180deg=-1.22) USER MOD Single : A 115 HIS : no HD1:sc= -9.27! C(o=-9.3!,f=-10!) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.238) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl -140:sc= -1.63 (180deg=-4.55!) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 146 THR OG1 : rot -95:sc= 0.111 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 52:sc= 0.0268 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.450 -0.626 -55.225 1.00 0.00 N ATOM 2 CA GLY A 1 -30.752 0.033 -54.136 1.00 0.00 C ATOM 3 C GLY A 1 -29.908 -0.928 -53.322 1.00 0.00 C ATOM 4 O GLY A 1 -30.000 -0.959 -52.095 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.012 0.073 -55.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.758 -1.066 -55.865 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.080 -1.359 -54.841 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.114 0.819 -54.540 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.478 0.517 -53.483 1.00 0.00 H new ATOM 8 N SER A 2 -29.086 -1.716 -54.007 1.00 0.00 N ATOM 9 CA SER A 2 -28.226 -2.687 -53.340 1.00 0.00 C ATOM 10 C SER A 2 -26.794 -2.591 -53.857 1.00 0.00 C ATOM 11 O SER A 2 -26.412 -3.291 -54.794 1.00 0.00 O ATOM 12 CB SER A 2 -28.762 -4.105 -53.551 1.00 0.00 C ATOM 13 OG SER A 2 -28.805 -4.433 -54.929 1.00 0.00 O ATOM 0 H SER A 2 -28.997 -1.701 -55.023 1.00 0.00 H new ATOM 0 HA SER A 2 -28.225 -2.461 -52.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.129 -4.819 -53.023 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.761 -4.187 -53.123 1.00 0.00 H new ATOM 0 HG SER A 2 -27.934 -4.245 -55.337 1.00 0.00 H new ATOM 19 N SER A 3 -26.006 -1.717 -53.238 1.00 0.00 N ATOM 20 CA SER A 3 -24.617 -1.525 -53.637 1.00 0.00 C ATOM 21 C SER A 3 -23.853 -0.731 -52.582 1.00 0.00 C ATOM 22 O SER A 3 -24.364 0.243 -52.032 1.00 0.00 O ATOM 23 CB SER A 3 -24.546 -0.804 -54.985 1.00 0.00 C ATOM 24 OG SER A 3 -23.202 -0.607 -55.388 1.00 0.00 O ATOM 0 H SER A 3 -26.306 -1.131 -52.459 1.00 0.00 H new ATOM 0 HA SER A 3 -24.154 -2.507 -53.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.074 -1.386 -55.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.052 0.159 -54.913 1.00 0.00 H new ATOM 0 HG SER A 3 -23.184 -0.146 -56.253 1.00 0.00 H new ATOM 30 N GLY A 4 -22.624 -1.156 -52.304 1.00 0.00 N ATOM 31 CA GLY A 4 -21.809 -0.475 -51.316 1.00 0.00 C ATOM 32 C GLY A 4 -20.595 -1.285 -50.908 1.00 0.00 C ATOM 33 O GLY A 4 -20.488 -2.466 -51.239 1.00 0.00 O ATOM 0 H GLY A 4 -22.179 -1.960 -52.746 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.483 0.485 -51.717 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.414 -0.263 -50.434 1.00 0.00 H new ATOM 37 N SER A 5 -19.675 -0.649 -50.188 1.00 0.00 N ATOM 38 CA SER A 5 -18.459 -1.317 -49.740 1.00 0.00 C ATOM 39 C SER A 5 -18.325 -1.238 -48.222 1.00 0.00 C ATOM 40 O SER A 5 -18.911 -0.367 -47.580 1.00 0.00 O ATOM 41 CB SER A 5 -17.233 -0.689 -50.405 1.00 0.00 C ATOM 42 OG SER A 5 -16.039 -1.316 -49.968 1.00 0.00 O ATOM 0 H SER A 5 -19.749 0.328 -49.903 1.00 0.00 H new ATOM 0 HA SER A 5 -18.522 -2.366 -50.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.318 -0.776 -51.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.195 0.375 -50.173 1.00 0.00 H new ATOM 0 HG SER A 5 -15.270 -0.898 -50.409 1.00 0.00 H new ATOM 48 N SER A 6 -17.548 -2.155 -47.655 1.00 0.00 N ATOM 49 CA SER A 6 -17.338 -2.194 -46.212 1.00 0.00 C ATOM 50 C SER A 6 -15.971 -2.781 -45.877 1.00 0.00 C ATOM 51 O SER A 6 -15.520 -3.734 -46.511 1.00 0.00 O ATOM 52 CB SER A 6 -18.438 -3.016 -45.537 1.00 0.00 C ATOM 53 OG SER A 6 -19.612 -2.243 -45.354 1.00 0.00 O ATOM 0 H SER A 6 -17.053 -2.881 -48.173 1.00 0.00 H new ATOM 0 HA SER A 6 -17.376 -1.171 -45.837 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.666 -3.892 -46.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.084 -3.380 -44.572 1.00 0.00 H new ATOM 0 HG SER A 6 -19.580 -1.457 -45.938 1.00 0.00 H new ATOM 59 N GLY A 7 -15.315 -2.204 -44.874 1.00 0.00 N ATOM 60 CA GLY A 7 -14.006 -2.683 -44.472 1.00 0.00 C ATOM 61 C GLY A 7 -13.125 -1.575 -43.930 1.00 0.00 C ATOM 62 O GLY A 7 -12.164 -1.163 -44.580 1.00 0.00 O ATOM 0 H GLY A 7 -15.667 -1.414 -44.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.123 -3.455 -43.712 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.515 -3.149 -45.326 1.00 0.00 H new ATOM 66 N GLN A 8 -13.453 -1.090 -42.737 1.00 0.00 N ATOM 67 CA GLN A 8 -12.686 -0.021 -42.109 1.00 0.00 C ATOM 68 C GLN A 8 -12.012 -0.511 -40.832 1.00 0.00 C ATOM 69 O GLN A 8 -12.539 -1.356 -40.108 1.00 0.00 O ATOM 70 CB GLN A 8 -13.592 1.171 -41.796 1.00 0.00 C ATOM 71 CG GLN A 8 -14.751 0.828 -40.874 1.00 0.00 C ATOM 72 CD GLN A 8 -15.926 0.219 -41.614 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.209 -0.971 -41.480 1.00 0.00 O ATOM 74 NE2 GLN A 8 -16.617 1.035 -42.401 1.00 0.00 N ATOM 0 H GLN A 8 -14.245 -1.421 -42.186 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.912 0.294 -42.809 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.995 1.960 -41.338 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.987 1.571 -42.730 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.408 0.131 -40.109 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.080 1.731 -40.359 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.347 2.015 -42.482 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.418 0.682 -42.924 1.00 0.00 H new ATOM 83 N PRO A 9 -10.818 0.029 -40.547 1.00 0.00 N ATOM 84 CA PRO A 9 -10.046 -0.339 -39.356 1.00 0.00 C ATOM 85 C PRO A 9 -10.691 0.165 -38.069 1.00 0.00 C ATOM 86 O PRO A 9 -11.806 0.686 -38.086 1.00 0.00 O ATOM 87 CB PRO A 9 -8.697 0.347 -39.582 1.00 0.00 C ATOM 88 CG PRO A 9 -9.001 1.496 -40.481 1.00 0.00 C ATOM 89 CD PRO A 9 -10.129 1.042 -41.365 1.00 0.00 C ATOM 0 HA PRO A 9 -9.975 -1.420 -39.234 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.262 0.685 -38.641 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.979 -0.334 -40.039 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.286 2.377 -39.906 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.128 1.771 -41.073 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.792 1.867 -41.626 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.762 0.621 -42.301 1.00 0.00 H new ATOM 97 N ILE A 10 -9.982 0.006 -36.957 1.00 0.00 N ATOM 98 CA ILE A 10 -10.486 0.447 -35.662 1.00 0.00 C ATOM 99 C ILE A 10 -9.941 1.824 -35.300 1.00 0.00 C ATOM 100 O ILE A 10 -8.772 2.126 -35.544 1.00 0.00 O ATOM 101 CB ILE A 10 -10.116 -0.549 -34.546 1.00 0.00 C ATOM 102 CG1 ILE A 10 -10.325 -1.986 -35.026 1.00 0.00 C ATOM 103 CG2 ILE A 10 -10.942 -0.276 -33.298 1.00 0.00 C ATOM 104 CD1 ILE A 10 -9.917 -3.028 -34.007 1.00 0.00 C ATOM 0 H ILE A 10 -9.058 -0.424 -36.926 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.571 0.500 -35.747 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.063 -0.419 -34.297 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.376 -2.127 -35.278 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -9.754 -2.142 -35.942 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.669 -0.987 -32.518 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.748 0.738 -32.948 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.001 -0.383 -33.532 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.092 -4.024 -34.414 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.859 -2.913 -33.773 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.506 -2.899 -33.099 1.00 0.00 H new ATOM 116 N LYS A 11 -10.794 2.657 -34.713 1.00 0.00 N ATOM 117 CA LYS A 11 -10.399 4.002 -34.313 1.00 0.00 C ATOM 118 C LYS A 11 -9.878 4.012 -32.880 1.00 0.00 C ATOM 119 O LYS A 11 -10.448 3.370 -31.999 1.00 0.00 O ATOM 120 CB LYS A 11 -11.583 4.963 -34.444 1.00 0.00 C ATOM 121 CG LYS A 11 -12.148 5.045 -35.851 1.00 0.00 C ATOM 122 CD LYS A 11 -11.224 5.815 -36.779 1.00 0.00 C ATOM 123 CE LYS A 11 -11.020 7.244 -36.302 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.883 7.353 -35.346 1.00 0.00 N ATOM 0 H LYS A 11 -11.765 2.423 -34.504 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.597 4.331 -34.974 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.373 4.648 -33.762 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.269 5.958 -34.129 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.302 4.039 -36.242 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.124 5.529 -35.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.260 5.309 -36.837 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.641 5.822 -37.786 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.836 7.890 -37.160 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.932 7.601 -35.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.231 7.704 -34.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.449 6.417 -35.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.174 8.014 -35.723 1.00 0.00 H new ATOM 138 N GLN A 12 -8.792 4.746 -32.655 1.00 0.00 N ATOM 139 CA GLN A 12 -8.195 4.840 -31.328 1.00 0.00 C ATOM 140 C GLN A 12 -8.784 6.010 -30.548 1.00 0.00 C ATOM 141 O GLN A 12 -8.803 7.142 -31.030 1.00 0.00 O ATOM 142 CB GLN A 12 -6.678 4.997 -31.438 1.00 0.00 C ATOM 143 CG GLN A 12 -5.946 4.773 -30.125 1.00 0.00 C ATOM 144 CD GLN A 12 -6.598 3.707 -29.267 1.00 0.00 C ATOM 145 OE1 GLN A 12 -6.820 2.582 -29.717 1.00 0.00 O ATOM 146 NE2 GLN A 12 -6.910 4.055 -28.024 1.00 0.00 N ATOM 0 H GLN A 12 -8.308 5.284 -33.374 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.419 3.919 -30.790 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.301 4.292 -32.179 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.450 5.998 -31.805 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.915 4.486 -30.333 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.910 5.710 -29.569 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.708 4.998 -27.693 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.352 3.379 -27.401 1.00 0.00 H new ATOM 155 N GLU A 13 -9.264 5.729 -29.340 1.00 0.00 N ATOM 156 CA GLU A 13 -9.854 6.760 -28.495 1.00 0.00 C ATOM 157 C GLU A 13 -8.779 7.482 -27.687 1.00 0.00 C ATOM 158 O GLU A 13 -7.902 6.851 -27.096 1.00 0.00 O ATOM 159 CB GLU A 13 -10.890 6.145 -27.551 1.00 0.00 C ATOM 160 CG GLU A 13 -10.294 5.601 -26.264 1.00 0.00 C ATOM 161 CD GLU A 13 -11.155 4.524 -25.632 1.00 0.00 C ATOM 162 OE1 GLU A 13 -12.056 4.003 -26.322 1.00 0.00 O ATOM 163 OE2 GLU A 13 -10.927 4.202 -24.447 1.00 0.00 O ATOM 0 H GLU A 13 -9.256 4.797 -28.926 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.347 7.486 -29.141 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.638 6.899 -27.305 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.409 5.339 -28.070 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.304 5.195 -26.470 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.162 6.418 -25.555 1.00 0.00 H new ATOM 170 N LEU A 14 -8.855 8.808 -27.666 1.00 0.00 N ATOM 171 CA LEU A 14 -7.889 9.617 -26.931 1.00 0.00 C ATOM 172 C LEU A 14 -8.384 9.906 -25.517 1.00 0.00 C ATOM 173 O LEU A 14 -9.550 9.674 -25.198 1.00 0.00 O ATOM 174 CB LEU A 14 -7.627 10.930 -27.670 1.00 0.00 C ATOM 175 CG LEU A 14 -7.543 10.837 -29.194 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.584 12.224 -29.817 1.00 0.00 C ATOM 177 CD2 LEU A 14 -6.280 10.099 -29.615 1.00 0.00 C ATOM 0 H LEU A 14 -9.575 9.345 -28.149 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.958 9.054 -26.862 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.419 11.633 -27.412 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.693 11.352 -27.300 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.405 10.274 -29.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.523 12.138 -30.902 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.517 12.718 -29.544 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.742 12.812 -29.452 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.237 10.042 -30.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.405 10.634 -29.245 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.292 9.091 -29.199 1.00 0.00 H new ATOM 189 N SER A 15 -7.490 10.417 -24.676 1.00 0.00 N ATOM 190 CA SER A 15 -7.836 10.736 -23.296 1.00 0.00 C ATOM 191 C SER A 15 -7.023 11.926 -22.794 1.00 0.00 C ATOM 192 O SER A 15 -5.813 12.000 -23.006 1.00 0.00 O ATOM 193 CB SER A 15 -7.597 9.524 -22.394 1.00 0.00 C ATOM 194 OG SER A 15 -8.196 8.360 -22.935 1.00 0.00 O ATOM 0 H SER A 15 -6.522 10.619 -24.926 1.00 0.00 H new ATOM 0 HA SER A 15 -8.893 11.000 -23.264 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.526 9.363 -22.273 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.004 9.719 -21.402 1.00 0.00 H new ATOM 0 HG SER A 15 -8.028 7.599 -22.341 1.00 0.00 H new ATOM 200 N CYS A 16 -7.698 12.856 -22.127 1.00 0.00 N ATOM 201 CA CYS A 16 -7.042 14.044 -21.594 1.00 0.00 C ATOM 202 C CYS A 16 -7.184 14.110 -20.076 1.00 0.00 C ATOM 203 O CYS A 16 -8.138 14.688 -19.555 1.00 0.00 O ATOM 204 CB CYS A 16 -7.631 15.306 -22.228 1.00 0.00 C ATOM 205 SG CYS A 16 -7.349 16.824 -21.262 1.00 0.00 S ATOM 0 H CYS A 16 -8.700 12.810 -21.943 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.982 13.983 -21.839 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.201 15.435 -23.221 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.704 15.166 -22.360 1.00 0.00 H new ATOM 210 N LYS A 17 -6.228 13.513 -19.372 1.00 0.00 N ATOM 211 CA LYS A 17 -6.245 13.504 -17.914 1.00 0.00 C ATOM 212 C LYS A 17 -5.645 14.791 -17.355 1.00 0.00 C ATOM 213 O LYS A 17 -4.426 14.930 -17.266 1.00 0.00 O ATOM 214 CB LYS A 17 -5.471 12.296 -17.382 1.00 0.00 C ATOM 215 CG LYS A 17 -5.815 10.995 -18.087 1.00 0.00 C ATOM 216 CD LYS A 17 -7.315 10.755 -18.114 1.00 0.00 C ATOM 217 CE LYS A 17 -7.855 10.447 -16.726 1.00 0.00 C ATOM 218 NZ LYS A 17 -7.339 9.151 -16.205 1.00 0.00 N ATOM 0 H LYS A 17 -5.432 13.029 -19.788 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.283 13.436 -17.588 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.403 12.485 -17.487 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.672 12.186 -16.316 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.431 11.020 -19.107 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.322 10.165 -17.581 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.818 11.635 -18.514 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.540 9.926 -18.785 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.578 11.249 -16.042 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.944 10.418 -16.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.911 8.853 -15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.397 8.429 -16.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.348 9.265 -15.910 1.00 0.00 H new ATOM 232 N TRP A 18 -6.510 15.726 -16.979 1.00 0.00 N ATOM 233 CA TRP A 18 -6.065 17.001 -16.428 1.00 0.00 C ATOM 234 C TRP A 18 -6.326 17.065 -14.927 1.00 0.00 C ATOM 235 O TRP A 18 -7.473 16.990 -14.484 1.00 0.00 O ATOM 236 CB TRP A 18 -6.773 18.159 -17.132 1.00 0.00 C ATOM 237 CG TRP A 18 -6.099 19.482 -16.924 1.00 0.00 C ATOM 238 CD1 TRP A 18 -6.184 20.280 -15.819 1.00 0.00 C ATOM 239 CD2 TRP A 18 -5.239 20.160 -17.846 1.00 0.00 C ATOM 240 NE1 TRP A 18 -5.428 21.414 -15.999 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.838 21.363 -17.234 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.767 19.866 -19.128 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.989 22.271 -17.863 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.925 20.768 -19.751 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.542 21.958 -19.118 1.00 0.00 C ATOM 0 H TRP A 18 -7.523 15.625 -17.045 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.991 17.087 -16.595 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.823 17.949 -18.200 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.799 18.221 -16.771 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.760 20.054 -14.934 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.323 22.170 -15.323 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.055 18.950 -19.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.694 23.189 -17.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.556 20.552 -20.743 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.881 22.641 -19.630 1.00 0.00 H new ATOM 256 N ILE A 19 -5.258 17.205 -14.150 1.00 0.00 N ATOM 257 CA ILE A 19 -5.373 17.281 -12.699 1.00 0.00 C ATOM 258 C ILE A 19 -4.855 18.616 -12.176 1.00 0.00 C ATOM 259 O ILE A 19 -3.649 18.806 -12.016 1.00 0.00 O ATOM 260 CB ILE A 19 -4.602 16.138 -12.012 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.046 14.785 -12.571 1.00 0.00 C ATOM 262 CG2 ILE A 19 -4.809 16.190 -10.506 1.00 0.00 C ATOM 263 CD1 ILE A 19 -4.857 13.639 -11.602 1.00 0.00 C ATOM 0 H ILE A 19 -4.302 17.268 -14.501 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.433 17.187 -12.461 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.539 16.262 -12.217 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.098 14.844 -12.850 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.485 14.576 -13.482 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.258 15.376 -10.035 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.447 17.144 -10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.871 16.088 -10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.193 12.711 -12.066 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.802 13.553 -11.341 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.440 13.825 -10.700 1.00 0.00 H new ATOM 275 N ASP A 20 -5.774 19.537 -11.908 1.00 0.00 N ATOM 276 CA ASP A 20 -5.410 20.855 -11.399 1.00 0.00 C ATOM 277 C ASP A 20 -4.991 20.775 -9.935 1.00 0.00 C ATOM 278 O ASP A 20 -5.809 20.497 -9.060 1.00 0.00 O ATOM 279 CB ASP A 20 -6.582 21.826 -11.555 1.00 0.00 C ATOM 280 CG ASP A 20 -6.737 22.323 -12.979 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.822 23.018 -13.468 1.00 0.00 O ATOM 282 OD2 ASP A 20 -7.773 22.016 -13.604 1.00 0.00 O ATOM 0 H ASP A 20 -6.776 19.396 -12.035 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.564 21.222 -11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.503 21.333 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.436 22.677 -10.890 1.00 0.00 H new ATOM 287 N GLU A 21 -3.709 21.019 -9.678 1.00 0.00 N ATOM 288 CA GLU A 21 -3.181 20.972 -8.319 1.00 0.00 C ATOM 289 C GLU A 21 -4.137 21.648 -7.341 1.00 0.00 C ATOM 290 O GLU A 21 -4.233 21.255 -6.179 1.00 0.00 O ATOM 291 CB GLU A 21 -1.809 21.646 -8.258 1.00 0.00 C ATOM 292 CG GLU A 21 -0.793 21.047 -9.216 1.00 0.00 C ATOM 293 CD GLU A 21 0.023 19.937 -8.582 1.00 0.00 C ATOM 294 OE1 GLU A 21 0.807 20.234 -7.656 1.00 0.00 O ATOM 295 OE2 GLU A 21 -0.122 18.774 -9.011 1.00 0.00 O ATOM 0 H GLU A 21 -3.018 21.251 -10.392 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.076 19.926 -8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.925 22.707 -8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.423 21.574 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.311 20.657 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.122 21.832 -9.566 1.00 0.00 H new ATOM 302 N ALA A 22 -4.840 22.669 -7.820 1.00 0.00 N ATOM 303 CA ALA A 22 -5.789 23.400 -6.989 1.00 0.00 C ATOM 304 C ALA A 22 -7.224 22.999 -7.312 1.00 0.00 C ATOM 305 O ALA A 22 -8.120 23.843 -7.346 1.00 0.00 O ATOM 306 CB ALA A 22 -5.603 24.899 -7.169 1.00 0.00 C ATOM 0 H ALA A 22 -4.770 23.009 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.595 23.144 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.318 25.432 -6.543 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.589 25.177 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.768 25.163 -8.214 1.00 0.00 H new ATOM 312 N GLN A 23 -7.435 21.709 -7.550 1.00 0.00 N ATOM 313 CA GLN A 23 -8.762 21.198 -7.873 1.00 0.00 C ATOM 314 C GLN A 23 -9.822 21.837 -6.982 1.00 0.00 C ATOM 315 O GLN A 23 -9.508 22.407 -5.936 1.00 0.00 O ATOM 316 CB GLN A 23 -8.798 19.677 -7.719 1.00 0.00 C ATOM 317 CG GLN A 23 -7.816 19.147 -6.686 1.00 0.00 C ATOM 318 CD GLN A 23 -6.472 18.789 -7.288 1.00 0.00 C ATOM 319 OE1 GLN A 23 -5.425 19.201 -6.787 1.00 0.00 O ATOM 320 NE2 GLN A 23 -6.493 18.018 -8.369 1.00 0.00 N ATOM 0 H GLN A 23 -6.704 20.998 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.981 21.455 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.806 19.372 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.582 19.217 -8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.673 19.897 -5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.241 18.266 -6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.383 17.699 -8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.619 17.745 -8.818 1.00 0.00 H new ATOM 329 N LEU A 24 -11.078 21.738 -7.402 1.00 0.00 N ATOM 330 CA LEU A 24 -12.186 22.306 -6.642 1.00 0.00 C ATOM 331 C LEU A 24 -12.996 21.209 -5.957 1.00 0.00 C ATOM 332 O LEU A 24 -13.974 21.487 -5.263 1.00 0.00 O ATOM 333 CB LEU A 24 -13.093 23.127 -7.560 1.00 0.00 C ATOM 334 CG LEU A 24 -13.825 24.299 -6.907 1.00 0.00 C ATOM 335 CD1 LEU A 24 -14.240 25.320 -7.956 1.00 0.00 C ATOM 336 CD2 LEU A 24 -15.038 23.806 -6.131 1.00 0.00 C ATOM 0 H LEU A 24 -11.355 21.270 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.770 22.959 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.490 23.514 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.835 22.459 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.144 24.783 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.760 26.147 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.354 25.697 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.904 24.848 -8.680 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.546 24.654 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.722 23.296 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.716 23.113 -5.353 1.00 0.00 H new ATOM 348 N SER A 25 -12.579 19.962 -6.154 1.00 0.00 N ATOM 349 CA SER A 25 -13.266 18.823 -5.557 1.00 0.00 C ATOM 350 C SER A 25 -12.285 17.930 -4.804 1.00 0.00 C ATOM 351 O SER A 25 -11.075 18.154 -4.837 1.00 0.00 O ATOM 352 CB SER A 25 -13.987 18.012 -6.636 1.00 0.00 C ATOM 353 OG SER A 25 -14.928 17.122 -6.062 1.00 0.00 O ATOM 0 H SER A 25 -11.769 19.715 -6.722 1.00 0.00 H new ATOM 0 HA SER A 25 -14.001 19.205 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.494 18.688 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.259 17.449 -7.220 1.00 0.00 H new ATOM 0 HG SER A 25 -15.376 16.617 -6.772 1.00 0.00 H new ATOM 359 N ARG A 26 -12.816 16.918 -4.126 1.00 0.00 N ATOM 360 CA ARG A 26 -11.988 15.992 -3.364 1.00 0.00 C ATOM 361 C ARG A 26 -12.589 14.589 -3.375 1.00 0.00 C ATOM 362 O ARG A 26 -13.784 14.398 -3.148 1.00 0.00 O ATOM 363 CB ARG A 26 -11.834 16.480 -1.922 1.00 0.00 C ATOM 364 CG ARG A 26 -10.519 16.070 -1.278 1.00 0.00 C ATOM 365 CD ARG A 26 -9.331 16.705 -1.983 1.00 0.00 C ATOM 366 NE ARG A 26 -8.085 16.498 -1.250 1.00 0.00 N ATOM 367 CZ ARG A 26 -6.881 16.683 -1.780 1.00 0.00 C ATOM 368 NH1 ARG A 26 -6.762 17.078 -3.040 1.00 0.00 N ATOM 369 NH2 ARG A 26 -5.794 16.474 -1.049 1.00 0.00 N ATOM 0 H ARG A 26 -13.816 16.719 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.006 15.952 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.914 17.567 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.658 16.090 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.520 16.363 -0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.422 14.985 -1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.237 16.285 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.509 17.774 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.142 16.195 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.596 17.240 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.837 17.219 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.882 16.171 -0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.870 16.616 -1.457 1.00 0.00 H new ATOM 383 N PRO A 27 -11.743 13.585 -3.648 1.00 0.00 N ATOM 384 CA PRO A 27 -10.319 13.801 -3.921 1.00 0.00 C ATOM 385 C PRO A 27 -10.084 14.492 -5.260 1.00 0.00 C ATOM 386 O PRO A 27 -11.027 14.935 -5.915 1.00 0.00 O ATOM 387 CB PRO A 27 -9.743 12.383 -3.942 1.00 0.00 C ATOM 388 CG PRO A 27 -10.895 11.512 -4.309 1.00 0.00 C ATOM 389 CD PRO A 27 -12.112 12.160 -3.710 1.00 0.00 C ATOM 0 HA PRO A 27 -9.856 14.453 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.934 12.295 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.332 12.108 -2.970 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.991 11.428 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.760 10.502 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.997 12.000 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.335 11.759 -2.721 1.00 0.00 H new ATOM 397 N LYS A 28 -8.821 14.580 -5.661 1.00 0.00 N ATOM 398 CA LYS A 28 -8.461 15.215 -6.923 1.00 0.00 C ATOM 399 C LYS A 28 -9.054 14.455 -8.104 1.00 0.00 C ATOM 400 O LYS A 28 -8.866 13.245 -8.235 1.00 0.00 O ATOM 401 CB LYS A 28 -6.939 15.290 -7.064 1.00 0.00 C ATOM 402 CG LYS A 28 -6.259 16.036 -5.928 1.00 0.00 C ATOM 403 CD LYS A 28 -4.805 16.336 -6.251 1.00 0.00 C ATOM 404 CE LYS A 28 -4.092 16.972 -5.067 1.00 0.00 C ATOM 405 NZ LYS A 28 -2.629 17.114 -5.312 1.00 0.00 N ATOM 0 H LYS A 28 -8.029 14.219 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.870 16.225 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.537 14.278 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.693 15.779 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.790 16.968 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.315 15.442 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.296 15.414 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.752 17.004 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.524 17.953 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.254 16.365 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.179 17.551 -4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.212 16.176 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.473 17.714 -6.147 1.00 0.00 H new ATOM 419 N LYS A 29 -9.771 15.171 -8.963 1.00 0.00 N ATOM 420 CA LYS A 29 -10.391 14.565 -10.136 1.00 0.00 C ATOM 421 C LYS A 29 -9.637 14.945 -11.407 1.00 0.00 C ATOM 422 O LYS A 29 -8.890 15.923 -11.428 1.00 0.00 O ATOM 423 CB LYS A 29 -11.854 15.000 -10.248 1.00 0.00 C ATOM 424 CG LYS A 29 -12.059 16.494 -10.064 1.00 0.00 C ATOM 425 CD LYS A 29 -13.510 16.888 -10.284 1.00 0.00 C ATOM 426 CE LYS A 29 -13.794 17.176 -11.750 1.00 0.00 C ATOM 427 NZ LYS A 29 -12.846 18.177 -12.312 1.00 0.00 N ATOM 0 H LYS A 29 -9.938 16.173 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.349 13.482 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.238 14.706 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.441 14.466 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.750 16.784 -9.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.423 17.038 -10.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.162 16.087 -9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.743 17.770 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.726 16.250 -12.322 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.815 17.543 -11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.322 18.728 -13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.529 18.817 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.024 17.687 -12.718 1.00 0.00 H new ATOM 441 N SER A 30 -9.840 14.165 -12.464 1.00 0.00 N ATOM 442 CA SER A 30 -9.178 14.419 -13.739 1.00 0.00 C ATOM 443 C SER A 30 -10.196 14.766 -14.820 1.00 0.00 C ATOM 444 O SER A 30 -11.349 14.337 -14.765 1.00 0.00 O ATOM 445 CB SER A 30 -8.360 13.199 -14.164 1.00 0.00 C ATOM 446 OG SER A 30 -7.902 12.473 -13.037 1.00 0.00 O ATOM 0 H SER A 30 -10.457 13.353 -12.463 1.00 0.00 H new ATOM 0 HA SER A 30 -8.508 15.269 -13.610 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.969 12.551 -14.795 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.509 13.520 -14.764 1.00 0.00 H new ATOM 0 HG SER A 30 -7.086 11.984 -13.272 1.00 0.00 H new ATOM 452 N CYS A 31 -9.762 15.545 -15.805 1.00 0.00 N ATOM 453 CA CYS A 31 -10.633 15.951 -16.901 1.00 0.00 C ATOM 454 C CYS A 31 -11.142 14.736 -17.670 1.00 0.00 C ATOM 455 O CYS A 31 -10.445 14.195 -18.528 1.00 0.00 O ATOM 456 CB CYS A 31 -9.889 16.894 -17.849 1.00 0.00 C ATOM 457 SG CYS A 31 -10.674 17.075 -19.484 1.00 0.00 S ATOM 0 H CYS A 31 -8.811 15.908 -15.866 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.489 16.475 -16.477 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.814 17.876 -17.383 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.872 16.527 -17.985 1.00 0.00 H new ATOM 462 N ASP A 32 -12.362 14.313 -17.356 1.00 0.00 N ATOM 463 CA ASP A 32 -12.966 13.162 -18.018 1.00 0.00 C ATOM 464 C ASP A 32 -13.516 13.550 -19.387 1.00 0.00 C ATOM 465 O ASP A 32 -14.700 13.857 -19.527 1.00 0.00 O ATOM 466 CB ASP A 32 -14.084 12.578 -17.153 1.00 0.00 C ATOM 467 CG ASP A 32 -15.089 13.626 -16.719 1.00 0.00 C ATOM 468 OD1 ASP A 32 -14.721 14.501 -15.907 1.00 0.00 O ATOM 469 OD2 ASP A 32 -16.243 13.573 -17.193 1.00 0.00 O ATOM 0 H ASP A 32 -12.952 14.750 -16.648 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.193 12.407 -18.157 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.598 11.795 -17.710 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.649 12.109 -16.271 1.00 0.00 H new ATOM 474 N ARG A 33 -12.648 13.535 -20.394 1.00 0.00 N ATOM 475 CA ARG A 33 -13.046 13.887 -21.751 1.00 0.00 C ATOM 476 C ARG A 33 -12.369 12.975 -22.770 1.00 0.00 C ATOM 477 O ARG A 33 -11.334 12.370 -22.488 1.00 0.00 O ATOM 478 CB ARG A 33 -12.696 15.347 -22.046 1.00 0.00 C ATOM 479 CG ARG A 33 -13.763 16.332 -21.597 1.00 0.00 C ATOM 480 CD ARG A 33 -14.790 16.579 -22.691 1.00 0.00 C ATOM 481 NE ARG A 33 -15.774 15.503 -22.772 1.00 0.00 N ATOM 482 CZ ARG A 33 -16.537 15.283 -23.836 1.00 0.00 C ATOM 483 NH1 ARG A 33 -16.430 16.060 -24.905 1.00 0.00 N ATOM 484 NH2 ARG A 33 -17.410 14.283 -23.833 1.00 0.00 N ATOM 0 H ARG A 33 -11.665 13.283 -20.295 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.125 13.756 -21.832 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.756 15.593 -21.553 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.534 15.464 -23.118 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.263 15.948 -20.708 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.294 17.275 -21.317 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.300 17.523 -22.502 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.281 16.678 -23.650 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.881 14.886 -21.967 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.760 16.829 -24.911 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.018 15.889 -25.721 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.495 13.683 -23.013 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.996 14.115 -24.651 1.00 0.00 H new ATOM 498 N THR A 34 -12.961 12.880 -23.957 1.00 0.00 N ATOM 499 CA THR A 34 -12.418 12.041 -25.017 1.00 0.00 C ATOM 500 C THR A 34 -12.728 12.622 -26.392 1.00 0.00 C ATOM 501 O THR A 34 -13.538 13.540 -26.520 1.00 0.00 O ATOM 502 CB THR A 34 -12.975 10.607 -24.941 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.373 10.640 -24.634 1.00 0.00 O ATOM 504 CG2 THR A 34 -12.238 9.796 -23.885 1.00 0.00 C ATOM 0 H THR A 34 -13.817 13.374 -24.208 1.00 0.00 H new ATOM 0 HA THR A 34 -11.338 12.011 -24.873 1.00 0.00 H new ATOM 0 HB THR A 34 -12.828 10.132 -25.911 1.00 0.00 H new ATOM 0 HG1 THR A 34 -14.720 9.725 -24.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 -12.648 8.787 -23.849 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.179 9.748 -24.137 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.358 10.271 -22.912 1.00 0.00 H new ATOM 512 N PHE A 35 -12.081 12.080 -27.418 1.00 0.00 N ATOM 513 CA PHE A 35 -12.288 12.545 -28.785 1.00 0.00 C ATOM 514 C PHE A 35 -12.019 11.427 -29.787 1.00 0.00 C ATOM 515 O PHE A 35 -11.507 10.366 -29.427 1.00 0.00 O ATOM 516 CB PHE A 35 -11.381 13.741 -29.082 1.00 0.00 C ATOM 517 CG PHE A 35 -11.358 14.765 -27.984 1.00 0.00 C ATOM 518 CD1 PHE A 35 -10.539 14.597 -26.879 1.00 0.00 C ATOM 519 CD2 PHE A 35 -12.157 15.895 -28.055 1.00 0.00 C ATOM 520 CE1 PHE A 35 -10.516 15.537 -25.866 1.00 0.00 C ATOM 521 CE2 PHE A 35 -12.137 16.839 -27.046 1.00 0.00 C ATOM 522 CZ PHE A 35 -11.317 16.659 -25.950 1.00 0.00 C ATOM 0 H PHE A 35 -11.409 11.318 -27.329 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.329 12.854 -28.883 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.366 13.383 -29.255 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.712 14.217 -30.005 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -9.911 13.721 -26.808 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -12.803 16.040 -28.909 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.873 15.394 -25.010 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.762 17.717 -27.115 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.302 17.395 -25.159 1.00 0.00 H new ATOM 532 N SER A 36 -12.370 11.671 -31.045 1.00 0.00 N ATOM 533 CA SER A 36 -12.171 10.683 -32.100 1.00 0.00 C ATOM 534 C SER A 36 -10.877 10.955 -32.862 1.00 0.00 C ATOM 535 O SER A 36 -10.180 10.028 -33.276 1.00 0.00 O ATOM 536 CB SER A 36 -13.357 10.692 -33.066 1.00 0.00 C ATOM 537 OG SER A 36 -13.539 9.420 -33.662 1.00 0.00 O ATOM 0 H SER A 36 -12.794 12.544 -31.359 1.00 0.00 H new ATOM 0 HA SER A 36 -12.098 9.700 -31.635 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.263 10.980 -32.532 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.193 11.440 -33.841 1.00 0.00 H new ATOM 0 HG SER A 36 -14.304 9.452 -34.274 1.00 0.00 H new ATOM 543 N THR A 37 -10.562 12.234 -33.044 1.00 0.00 N ATOM 544 CA THR A 37 -9.354 12.629 -33.757 1.00 0.00 C ATOM 545 C THR A 37 -8.375 13.338 -32.828 1.00 0.00 C ATOM 546 O THR A 37 -8.763 13.857 -31.782 1.00 0.00 O ATOM 547 CB THR A 37 -9.680 13.555 -34.944 1.00 0.00 C ATOM 548 OG1 THR A 37 -9.819 14.905 -34.488 1.00 0.00 O ATOM 549 CG2 THR A 37 -10.960 13.115 -35.638 1.00 0.00 C ATOM 0 H THR A 37 -11.127 13.014 -32.707 1.00 0.00 H new ATOM 0 HA THR A 37 -8.896 11.715 -34.134 1.00 0.00 H new ATOM 0 HB THR A 37 -8.859 13.496 -35.659 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.025 15.488 -35.249 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.170 13.784 -36.473 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.841 12.097 -36.010 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.788 13.148 -34.930 1.00 0.00 H new ATOM 557 N MET A 38 -7.104 13.355 -33.217 1.00 0.00 N ATOM 558 CA MET A 38 -6.070 14.003 -32.419 1.00 0.00 C ATOM 559 C MET A 38 -6.299 15.509 -32.351 1.00 0.00 C ATOM 560 O MET A 38 -6.181 16.118 -31.287 1.00 0.00 O ATOM 561 CB MET A 38 -4.687 13.711 -33.004 1.00 0.00 C ATOM 562 CG MET A 38 -3.563 14.464 -32.312 1.00 0.00 C ATOM 563 SD MET A 38 -3.571 14.233 -30.523 1.00 0.00 S ATOM 564 CE MET A 38 -3.828 12.464 -30.412 1.00 0.00 C ATOM 0 H MET A 38 -6.766 12.928 -34.079 1.00 0.00 H new ATOM 0 HA MET A 38 -6.121 13.600 -31.407 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.492 12.641 -32.937 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.688 13.969 -34.063 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.606 14.130 -32.713 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.650 15.527 -32.538 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.750 12.150 -29.371 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.818 12.216 -30.793 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.072 11.949 -31.004 1.00 0.00 H new ATOM 574 N HIS A 39 -6.626 16.106 -33.493 1.00 0.00 N ATOM 575 CA HIS A 39 -6.872 17.542 -33.562 1.00 0.00 C ATOM 576 C HIS A 39 -7.908 17.966 -32.526 1.00 0.00 C ATOM 577 O HIS A 39 -7.748 18.986 -31.856 1.00 0.00 O ATOM 578 CB HIS A 39 -7.343 17.933 -34.963 1.00 0.00 C ATOM 579 CG HIS A 39 -6.331 17.665 -36.033 1.00 0.00 C ATOM 580 ND1 HIS A 39 -6.655 17.571 -37.370 1.00 0.00 N ATOM 581 CD2 HIS A 39 -4.993 17.471 -35.957 1.00 0.00 C ATOM 582 CE1 HIS A 39 -5.561 17.330 -38.070 1.00 0.00 C ATOM 583 NE2 HIS A 39 -4.538 17.265 -37.236 1.00 0.00 N ATOM 0 H HIS A 39 -6.727 15.618 -34.383 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.936 18.057 -33.345 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.258 17.387 -35.195 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.594 18.994 -34.970 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.395 17.477 -35.058 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.511 17.207 -39.142 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.568 17.090 -37.499 1.00 0.00 H new ATOM 591 N GLU A 40 -8.972 17.178 -32.402 1.00 0.00 N ATOM 592 CA GLU A 40 -10.035 17.474 -31.449 1.00 0.00 C ATOM 593 C GLU A 40 -9.480 17.580 -30.031 1.00 0.00 C ATOM 594 O GLU A 40 -9.902 18.433 -29.250 1.00 0.00 O ATOM 595 CB GLU A 40 -11.117 16.394 -31.506 1.00 0.00 C ATOM 596 CG GLU A 40 -12.171 16.644 -32.572 1.00 0.00 C ATOM 597 CD GLU A 40 -13.316 17.502 -32.069 1.00 0.00 C ATOM 598 OE1 GLU A 40 -14.114 17.002 -31.248 1.00 0.00 O ATOM 599 OE2 GLU A 40 -13.415 18.671 -32.495 1.00 0.00 O ATOM 0 H GLU A 40 -9.120 16.330 -32.950 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.475 18.433 -31.721 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.646 15.429 -31.692 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.605 16.328 -30.533 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.707 17.130 -33.430 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.563 15.689 -32.921 1.00 0.00 H new ATOM 606 N LEU A 41 -8.534 16.706 -29.706 1.00 0.00 N ATOM 607 CA LEU A 41 -7.921 16.700 -28.382 1.00 0.00 C ATOM 608 C LEU A 41 -6.971 17.881 -28.216 1.00 0.00 C ATOM 609 O LEU A 41 -7.064 18.635 -27.247 1.00 0.00 O ATOM 610 CB LEU A 41 -7.167 15.388 -28.155 1.00 0.00 C ATOM 611 CG LEU A 41 -6.131 15.396 -27.029 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.818 15.408 -25.672 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.204 14.196 -27.149 1.00 0.00 C ATOM 0 H LEU A 41 -8.175 15.993 -30.340 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.715 16.790 -27.640 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.896 14.605 -27.946 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.664 15.116 -29.083 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.532 16.302 -27.118 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.066 15.414 -24.883 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.440 16.299 -25.587 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.442 14.520 -25.572 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.474 14.218 -26.340 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.788 13.278 -27.086 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.685 14.231 -28.107 1.00 0.00 H new ATOM 625 N VAL A 42 -6.058 18.039 -29.170 1.00 0.00 N ATOM 626 CA VAL A 42 -5.093 19.131 -29.131 1.00 0.00 C ATOM 627 C VAL A 42 -5.787 20.470 -28.907 1.00 0.00 C ATOM 628 O VAL A 42 -5.480 21.190 -27.956 1.00 0.00 O ATOM 629 CB VAL A 42 -4.273 19.202 -30.433 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.639 20.576 -30.591 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.214 18.111 -30.455 1.00 0.00 C ATOM 0 H VAL A 42 -5.967 17.424 -29.979 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.421 18.929 -28.297 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.946 19.040 -31.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.064 20.607 -31.516 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.420 21.336 -30.624 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.978 20.771 -29.746 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.644 18.176 -31.382 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.542 18.239 -29.606 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.696 17.135 -30.393 1.00 0.00 H new ATOM 641 N THR A 43 -6.726 20.799 -29.788 1.00 0.00 N ATOM 642 CA THR A 43 -7.464 22.052 -29.688 1.00 0.00 C ATOM 643 C THR A 43 -8.080 22.217 -28.303 1.00 0.00 C ATOM 644 O THR A 43 -8.313 23.337 -27.846 1.00 0.00 O ATOM 645 CB THR A 43 -8.579 22.133 -30.747 1.00 0.00 C ATOM 646 OG1 THR A 43 -8.007 22.261 -32.053 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.499 23.314 -30.474 1.00 0.00 C ATOM 0 H THR A 43 -6.994 20.214 -30.580 1.00 0.00 H new ATOM 0 HA THR A 43 -6.749 22.856 -29.863 1.00 0.00 H new ATOM 0 HB THR A 43 -9.165 21.215 -30.696 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.723 22.310 -32.720 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.279 23.351 -31.235 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.956 23.200 -29.491 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.922 24.238 -30.500 1.00 0.00 H new ATOM 655 N HIS A 44 -8.342 21.096 -27.639 1.00 0.00 N ATOM 656 CA HIS A 44 -8.931 21.117 -26.305 1.00 0.00 C ATOM 657 C HIS A 44 -7.859 21.337 -25.242 1.00 0.00 C ATOM 658 O HIS A 44 -7.875 22.339 -24.527 1.00 0.00 O ATOM 659 CB HIS A 44 -9.675 19.810 -26.032 1.00 0.00 C ATOM 660 CG HIS A 44 -9.998 19.595 -24.585 1.00 0.00 C ATOM 661 ND1 HIS A 44 -11.179 20.011 -24.008 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.287 19.002 -23.598 1.00 0.00 C ATOM 663 CE1 HIS A 44 -11.179 19.685 -22.728 1.00 0.00 C ATOM 664 NE2 HIS A 44 -10.042 19.071 -22.454 1.00 0.00 N ATOM 0 H HIS A 44 -8.156 20.162 -28.003 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.639 21.945 -26.260 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.601 19.802 -26.607 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.070 18.976 -26.389 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -11.934 20.495 -24.494 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.307 18.557 -23.693 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.974 19.886 -22.025 1.00 0.00 H new ATOM 672 N VAL A 45 -6.928 20.393 -25.142 1.00 0.00 N ATOM 673 CA VAL A 45 -5.848 20.484 -24.167 1.00 0.00 C ATOM 674 C VAL A 45 -5.097 21.804 -24.300 1.00 0.00 C ATOM 675 O VAL A 45 -4.440 22.255 -23.361 1.00 0.00 O ATOM 676 CB VAL A 45 -4.851 19.320 -24.323 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.811 19.356 -23.214 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.586 17.988 -24.334 1.00 0.00 C ATOM 0 H VAL A 45 -6.900 19.556 -25.725 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.307 20.429 -23.180 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.334 19.431 -25.276 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.115 18.526 -23.340 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.264 20.298 -23.258 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.307 19.269 -22.247 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.867 17.176 -24.445 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.130 17.865 -23.398 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.288 17.967 -25.167 1.00 0.00 H new ATOM 688 N THR A 46 -5.198 22.420 -25.473 1.00 0.00 N ATOM 689 CA THR A 46 -4.528 23.689 -25.731 1.00 0.00 C ATOM 690 C THR A 46 -5.448 24.867 -25.433 1.00 0.00 C ATOM 691 O THR A 46 -5.114 25.742 -24.635 1.00 0.00 O ATOM 692 CB THR A 46 -4.046 23.784 -27.191 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.325 22.599 -27.547 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.158 25.003 -27.389 1.00 0.00 C ATOM 0 H THR A 46 -5.738 22.061 -26.260 1.00 0.00 H new ATOM 0 HA THR A 46 -3.664 23.730 -25.068 1.00 0.00 H new ATOM 0 HB THR A 46 -4.921 23.883 -27.834 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.942 21.945 -27.937 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.830 25.049 -28.427 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.719 25.905 -27.145 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.288 24.929 -26.736 1.00 0.00 H new ATOM 702 N MET A 47 -6.609 24.883 -26.080 1.00 0.00 N ATOM 703 CA MET A 47 -7.579 25.954 -25.883 1.00 0.00 C ATOM 704 C MET A 47 -8.510 25.637 -24.717 1.00 0.00 C ATOM 705 O MET A 47 -8.710 26.465 -23.829 1.00 0.00 O ATOM 706 CB MET A 47 -8.395 26.173 -27.158 1.00 0.00 C ATOM 707 CG MET A 47 -7.559 26.148 -28.427 1.00 0.00 C ATOM 708 SD MET A 47 -8.446 26.796 -29.857 1.00 0.00 S ATOM 709 CE MET A 47 -7.126 27.648 -30.717 1.00 0.00 C ATOM 0 H MET A 47 -6.901 24.167 -26.745 1.00 0.00 H new ATOM 0 HA MET A 47 -7.032 26.867 -25.649 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.164 25.403 -27.224 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.909 27.132 -27.090 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.652 26.733 -28.271 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.247 25.124 -28.632 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.518 28.103 -31.626 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.713 28.424 -30.072 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.342 26.936 -30.976 1.00 0.00 H new ATOM 719 N GLU A 48 -9.075 24.434 -24.728 1.00 0.00 N ATOM 720 CA GLU A 48 -9.986 24.009 -23.671 1.00 0.00 C ATOM 721 C GLU A 48 -9.232 23.773 -22.366 1.00 0.00 C ATOM 722 O GLU A 48 -9.815 23.349 -21.367 1.00 0.00 O ATOM 723 CB GLU A 48 -10.724 22.735 -24.085 1.00 0.00 C ATOM 724 CG GLU A 48 -11.603 22.911 -25.312 1.00 0.00 C ATOM 725 CD GLU A 48 -12.974 23.463 -24.973 1.00 0.00 C ATOM 726 OE1 GLU A 48 -13.636 22.899 -24.076 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.385 24.459 -25.604 1.00 0.00 O ATOM 0 H GLU A 48 -8.918 23.737 -25.456 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.713 24.805 -23.511 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.994 21.950 -24.281 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.341 22.396 -23.253 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.109 23.582 -26.015 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.716 21.950 -25.814 1.00 0.00 H new ATOM 734 N HIS A 49 -7.932 24.049 -22.382 1.00 0.00 N ATOM 735 CA HIS A 49 -7.097 23.867 -21.200 1.00 0.00 C ATOM 736 C HIS A 49 -6.057 24.978 -21.092 1.00 0.00 C ATOM 737 O HIS A 49 -6.173 25.872 -20.254 1.00 0.00 O ATOM 738 CB HIS A 49 -6.403 22.505 -21.245 1.00 0.00 C ATOM 739 CG HIS A 49 -7.127 21.438 -20.483 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.315 21.484 -19.118 1.00 0.00 N ATOM 741 CD2 HIS A 49 -7.712 20.292 -20.904 1.00 0.00 C ATOM 742 CE1 HIS A 49 -7.983 20.411 -18.732 1.00 0.00 C ATOM 743 NE2 HIS A 49 -8.237 19.673 -19.797 1.00 0.00 N ATOM 0 H HIS A 49 -7.434 24.399 -23.200 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.740 23.910 -20.321 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.302 22.192 -22.284 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.395 22.607 -20.843 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -6.990 22.229 -18.502 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.757 19.932 -21.921 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.272 20.177 -17.718 1.00 0.00 H new ATOM 751 N VAL A 50 -5.040 24.914 -21.946 1.00 0.00 N ATOM 752 CA VAL A 50 -3.980 25.915 -21.948 1.00 0.00 C ATOM 753 C VAL A 50 -4.492 27.259 -22.454 1.00 0.00 C ATOM 754 O VAL A 50 -3.758 28.245 -22.479 1.00 0.00 O ATOM 755 CB VAL A 50 -2.790 25.471 -22.819 1.00 0.00 C ATOM 756 CG1 VAL A 50 -1.811 26.619 -23.012 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.097 24.266 -22.200 1.00 0.00 C ATOM 0 H VAL A 50 -4.928 24.180 -22.645 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.646 26.023 -20.916 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.168 25.180 -23.799 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.977 26.286 -23.630 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.317 27.450 -23.503 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.436 26.945 -22.042 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.259 23.966 -22.829 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.731 24.527 -21.207 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.804 23.441 -22.120 1.00 0.00 H new ATOM 767 N GLY A 51 -5.759 27.289 -22.856 1.00 0.00 N ATOM 768 CA GLY A 51 -6.349 28.517 -23.357 1.00 0.00 C ATOM 769 C GLY A 51 -5.780 28.928 -24.700 1.00 0.00 C ATOM 770 O GLY A 51 -5.060 28.162 -25.338 1.00 0.00 O ATOM 0 H GLY A 51 -6.387 26.485 -22.844 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.428 28.388 -23.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.183 29.317 -22.635 1.00 0.00 H new ATOM 774 N GLY A 52 -6.105 30.143 -25.132 1.00 0.00 N ATOM 775 CA GLY A 52 -5.614 30.634 -26.406 1.00 0.00 C ATOM 776 C GLY A 52 -4.405 31.535 -26.254 1.00 0.00 C ATOM 777 O GLY A 52 -3.770 31.584 -25.200 1.00 0.00 O ATOM 0 H GLY A 52 -6.700 30.796 -24.622 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.355 29.788 -27.042 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.410 31.181 -26.912 1.00 0.00 H new ATOM 781 N PRO A 53 -4.070 32.268 -27.326 1.00 0.00 N ATOM 782 CA PRO A 53 -2.926 33.184 -27.331 1.00 0.00 C ATOM 783 C PRO A 53 -3.155 34.404 -26.446 1.00 0.00 C ATOM 784 O PRO A 53 -2.275 35.252 -26.303 1.00 0.00 O ATOM 785 CB PRO A 53 -2.813 33.602 -28.800 1.00 0.00 C ATOM 786 CG PRO A 53 -4.187 33.429 -29.349 1.00 0.00 C ATOM 787 CD PRO A 53 -4.782 32.260 -28.614 1.00 0.00 C ATOM 0 HA PRO A 53 -2.026 32.713 -26.937 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.476 34.635 -28.893 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.092 32.982 -29.334 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.783 34.329 -29.199 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.158 33.241 -30.422 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.857 32.375 -28.479 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.627 31.325 -29.153 1.00 0.00 H new ATOM 795 N GLU A 54 -4.343 34.486 -25.855 1.00 0.00 N ATOM 796 CA GLU A 54 -4.687 35.603 -24.984 1.00 0.00 C ATOM 797 C GLU A 54 -4.485 35.233 -23.517 1.00 0.00 C ATOM 798 O GLU A 54 -5.151 35.771 -22.633 1.00 0.00 O ATOM 799 CB GLU A 54 -6.137 36.033 -25.217 1.00 0.00 C ATOM 800 CG GLU A 54 -7.155 34.969 -24.840 1.00 0.00 C ATOM 801 CD GLU A 54 -8.578 35.492 -24.858 1.00 0.00 C ATOM 802 OE1 GLU A 54 -8.756 36.726 -24.939 1.00 0.00 O ATOM 803 OE2 GLU A 54 -9.515 34.668 -24.791 1.00 0.00 O ATOM 0 H GLU A 54 -5.083 33.792 -25.964 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.025 36.435 -25.225 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.337 36.936 -24.640 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.266 36.291 -26.268 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.071 34.130 -25.531 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.925 34.587 -23.845 1.00 0.00 H new ATOM 810 N GLN A 55 -3.561 34.309 -23.269 1.00 0.00 N ATOM 811 CA GLN A 55 -3.272 33.866 -21.910 1.00 0.00 C ATOM 812 C GLN A 55 -1.805 34.095 -21.564 1.00 0.00 C ATOM 813 O GLN A 55 -0.914 33.773 -22.349 1.00 0.00 O ATOM 814 CB GLN A 55 -3.621 32.385 -21.749 1.00 0.00 C ATOM 815 CG GLN A 55 -5.060 32.142 -21.323 1.00 0.00 C ATOM 816 CD GLN A 55 -6.001 31.995 -22.503 1.00 0.00 C ATOM 817 OE1 GLN A 55 -7.073 31.401 -22.386 1.00 0.00 O ATOM 818 NE2 GLN A 55 -5.604 32.538 -23.648 1.00 0.00 N ATOM 0 H GLN A 55 -3.001 33.854 -23.990 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.884 34.453 -21.225 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.439 31.873 -22.694 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.953 31.941 -21.011 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.107 31.241 -20.711 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.394 32.970 -20.697 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.707 33.021 -23.699 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.196 32.472 -24.476 1.00 0.00 H new ATOM 827 N ASN A 56 -1.561 34.654 -20.383 1.00 0.00 N ATOM 828 CA ASN A 56 -0.201 34.927 -19.932 1.00 0.00 C ATOM 829 C ASN A 56 0.405 33.701 -19.257 1.00 0.00 C ATOM 830 O ASN A 56 1.387 33.136 -19.737 1.00 0.00 O ATOM 831 CB ASN A 56 -0.190 36.114 -18.966 1.00 0.00 C ATOM 832 CG ASN A 56 -0.576 37.414 -19.644 1.00 0.00 C ATOM 833 OD1 ASN A 56 -1.671 37.541 -20.191 1.00 0.00 O ATOM 834 ND2 ASN A 56 0.325 38.389 -19.609 1.00 0.00 N ATOM 0 H ASN A 56 -2.287 34.927 -19.721 1.00 0.00 H new ATOM 0 HA ASN A 56 0.402 35.173 -20.806 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.879 35.917 -18.145 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.804 36.216 -18.531 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.122 39.287 -20.047 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.220 38.239 -19.144 1.00 0.00 H new ATOM 841 N ASN A 57 -0.188 33.295 -18.139 1.00 0.00 N ATOM 842 CA ASN A 57 0.293 32.135 -17.396 1.00 0.00 C ATOM 843 C ASN A 57 -0.224 30.840 -18.015 1.00 0.00 C ATOM 844 O ASN A 57 -1.382 30.468 -17.825 1.00 0.00 O ATOM 845 CB ASN A 57 -0.143 32.224 -15.932 1.00 0.00 C ATOM 846 CG ASN A 57 0.794 31.476 -15.004 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.014 31.611 -15.095 1.00 0.00 O ATOM 848 ND2 ASN A 57 0.226 30.683 -14.103 1.00 0.00 N ATOM 0 H ASN A 57 -1.002 33.752 -17.728 1.00 0.00 H new ATOM 0 HA ASN A 57 1.382 32.130 -17.444 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.188 33.271 -15.632 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.150 31.820 -15.830 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.806 30.155 -13.450 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.790 30.602 -14.064 1.00 0.00 H new ATOM 855 N HIS A 58 0.643 30.157 -18.756 1.00 0.00 N ATOM 856 CA HIS A 58 0.274 28.903 -19.403 1.00 0.00 C ATOM 857 C HIS A 58 0.968 27.721 -18.731 1.00 0.00 C ATOM 858 O HIS A 58 2.186 27.568 -18.825 1.00 0.00 O ATOM 859 CB HIS A 58 0.636 28.944 -20.888 1.00 0.00 C ATOM 860 CG HIS A 58 1.883 29.720 -21.179 1.00 0.00 C ATOM 861 ND1 HIS A 58 1.871 30.997 -21.700 1.00 0.00 N ATOM 862 CD2 HIS A 58 3.187 29.393 -21.018 1.00 0.00 C ATOM 863 CE1 HIS A 58 3.113 31.421 -21.848 1.00 0.00 C ATOM 864 NE2 HIS A 58 3.931 30.467 -21.441 1.00 0.00 N ATOM 0 H HIS A 58 1.605 30.451 -18.923 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.804 28.775 -19.303 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.759 27.924 -21.252 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.193 29.382 -21.444 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.571 28.461 -20.629 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.410 32.384 -22.236 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.950 30.520 -21.441 1.00 0.00 H new ATOM 872 N VAL A 59 0.184 26.889 -18.053 1.00 0.00 N ATOM 873 CA VAL A 59 0.722 25.721 -17.366 1.00 0.00 C ATOM 874 C VAL A 59 -0.200 24.517 -17.522 1.00 0.00 C ATOM 875 O VAL A 59 -1.422 24.642 -17.433 1.00 0.00 O ATOM 876 CB VAL A 59 0.934 26.000 -15.866 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.799 24.918 -15.238 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.553 27.375 -15.662 1.00 0.00 C ATOM 0 H VAL A 59 -0.826 27.002 -17.965 1.00 0.00 H new ATOM 0 HA VAL A 59 1.685 25.499 -17.827 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.037 25.987 -15.371 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.938 25.132 -14.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.311 23.950 -15.352 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.770 24.895 -15.733 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.696 27.555 -14.597 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.517 27.419 -16.170 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.891 28.137 -16.073 1.00 0.00 H new ATOM 888 N CYS A 60 0.393 23.351 -17.756 1.00 0.00 N ATOM 889 CA CYS A 60 -0.374 22.123 -17.925 1.00 0.00 C ATOM 890 C CYS A 60 -0.134 21.167 -16.761 1.00 0.00 C ATOM 891 O CYS A 60 0.986 20.700 -16.548 1.00 0.00 O ATOM 892 CB CYS A 60 -0.002 21.442 -19.244 1.00 0.00 C ATOM 893 SG CYS A 60 0.090 19.626 -19.143 1.00 0.00 S ATOM 0 H CYS A 60 1.403 23.231 -17.833 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.432 22.385 -17.945 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.736 21.716 -20.002 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.961 21.826 -19.580 1.00 0.00 H new ATOM 898 N TYR A 61 -1.192 20.879 -16.011 1.00 0.00 N ATOM 899 CA TYR A 61 -1.096 19.980 -14.867 1.00 0.00 C ATOM 900 C TYR A 61 -1.636 18.596 -15.215 1.00 0.00 C ATOM 901 O TYR A 61 -2.842 18.357 -15.162 1.00 0.00 O ATOM 902 CB TYR A 61 -1.863 20.555 -13.675 1.00 0.00 C ATOM 903 CG TYR A 61 -1.589 22.021 -13.427 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.290 23.005 -14.113 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.628 22.422 -12.507 1.00 0.00 C ATOM 906 CE1 TYR A 61 -2.042 24.345 -13.891 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.374 23.760 -12.277 1.00 0.00 C ATOM 908 CZ TYR A 61 -1.083 24.718 -12.972 1.00 0.00 C ATOM 909 OH TYR A 61 -0.834 26.053 -12.746 1.00 0.00 O ATOM 0 H TYR A 61 -2.126 21.255 -16.175 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.044 19.882 -14.600 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.931 20.417 -13.841 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.604 19.989 -12.780 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.042 22.717 -14.833 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.070 21.675 -11.962 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.596 25.097 -14.434 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.375 24.055 -11.557 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.131 26.145 -12.069 1.00 0.00 H new ATOM 919 N TRP A 62 -0.733 17.689 -15.570 1.00 0.00 N ATOM 920 CA TRP A 62 -1.118 16.328 -15.926 1.00 0.00 C ATOM 921 C TRP A 62 -1.114 15.423 -14.699 1.00 0.00 C ATOM 922 O TRP A 62 -0.284 15.580 -13.804 1.00 0.00 O ATOM 923 CB TRP A 62 -0.171 15.770 -16.989 1.00 0.00 C ATOM 924 CG TRP A 62 -0.859 14.909 -18.005 1.00 0.00 C ATOM 925 CD1 TRP A 62 -0.853 13.545 -18.062 1.00 0.00 C ATOM 926 CD2 TRP A 62 -1.652 15.355 -19.110 1.00 0.00 C ATOM 927 NE1 TRP A 62 -1.594 13.116 -19.136 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.096 14.207 -19.795 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.031 16.613 -19.588 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -2.898 14.281 -20.930 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -2.828 16.685 -20.715 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.255 15.525 -21.375 1.00 0.00 C ATOM 0 H TRP A 62 0.269 17.871 -15.619 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.130 16.357 -16.330 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.320 16.599 -17.499 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.610 15.188 -16.500 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.341 12.898 -17.365 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.746 12.143 -19.400 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.707 17.512 -19.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.227 13.388 -21.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.127 17.652 -21.093 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.878 15.614 -22.252 1.00 0.00 H new ATOM 943 N GLU A 63 -2.046 14.476 -14.664 1.00 0.00 N ATOM 944 CA GLU A 63 -2.149 13.546 -13.545 1.00 0.00 C ATOM 945 C GLU A 63 -0.771 13.037 -13.132 1.00 0.00 C ATOM 946 O GLU A 63 -0.557 12.663 -11.980 1.00 0.00 O ATOM 947 CB GLU A 63 -3.051 12.367 -13.915 1.00 0.00 C ATOM 948 CG GLU A 63 -3.174 11.326 -12.814 1.00 0.00 C ATOM 949 CD GLU A 63 -4.398 10.446 -12.977 1.00 0.00 C ATOM 950 OE1 GLU A 63 -5.321 10.846 -13.717 1.00 0.00 O ATOM 951 OE2 GLU A 63 -4.433 9.358 -12.365 1.00 0.00 O ATOM 0 H GLU A 63 -2.740 14.332 -15.397 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.588 14.079 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.044 12.743 -14.160 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.660 11.889 -14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.281 10.702 -12.808 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.218 11.828 -11.848 1.00 0.00 H new ATOM 958 N GLU A 64 0.159 13.027 -14.083 1.00 0.00 N ATOM 959 CA GLU A 64 1.516 12.563 -13.818 1.00 0.00 C ATOM 960 C GLU A 64 2.517 13.255 -14.739 1.00 0.00 C ATOM 961 O GLU A 64 3.546 12.681 -15.098 1.00 0.00 O ATOM 962 CB GLU A 64 1.604 11.046 -13.997 1.00 0.00 C ATOM 963 CG GLU A 64 0.285 10.328 -13.765 1.00 0.00 C ATOM 964 CD GLU A 64 -0.702 10.540 -14.897 1.00 0.00 C ATOM 965 OE1 GLU A 64 -0.421 11.377 -15.781 1.00 0.00 O ATOM 966 OE2 GLU A 64 -1.755 9.869 -14.899 1.00 0.00 O ATOM 0 H GLU A 64 -0.003 13.334 -15.042 1.00 0.00 H new ATOM 0 HA GLU A 64 1.764 12.814 -12.787 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.954 10.827 -15.006 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.350 10.650 -13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.473 9.261 -13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.157 10.679 -12.832 1.00 0.00 H new ATOM 973 N CYS A 65 2.207 14.490 -15.118 1.00 0.00 N ATOM 974 CA CYS A 65 3.077 15.260 -15.999 1.00 0.00 C ATOM 975 C CYS A 65 4.541 15.094 -15.599 1.00 0.00 C ATOM 976 O CYS A 65 4.902 15.171 -14.425 1.00 0.00 O ATOM 977 CB CYS A 65 2.693 16.741 -15.962 1.00 0.00 C ATOM 978 SG CYS A 65 3.160 17.668 -17.459 1.00 0.00 S ATOM 0 H CYS A 65 1.360 14.979 -14.829 1.00 0.00 H new ATOM 0 HA CYS A 65 2.950 14.883 -17.014 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.616 16.822 -15.819 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.166 17.206 -15.097 1.00 0.00 H new ATOM 983 N PRO A 66 5.404 14.860 -16.599 1.00 0.00 N ATOM 984 CA PRO A 66 6.841 14.679 -16.377 1.00 0.00 C ATOM 985 C PRO A 66 7.530 15.971 -15.953 1.00 0.00 C ATOM 986 O PRO A 66 8.548 15.945 -15.260 1.00 0.00 O ATOM 987 CB PRO A 66 7.356 14.222 -17.744 1.00 0.00 C ATOM 988 CG PRO A 66 6.374 14.770 -18.721 1.00 0.00 C ATOM 989 CD PRO A 66 5.043 14.756 -18.022 1.00 0.00 C ATOM 0 HA PRO A 66 7.043 13.973 -15.572 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.360 14.602 -17.936 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.409 13.135 -17.804 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.646 15.782 -19.022 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.345 14.165 -19.627 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.414 15.588 -18.339 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.489 13.840 -18.230 1.00 0.00 H new ATOM 997 N ARG A 67 6.969 17.101 -16.373 1.00 0.00 N ATOM 998 CA ARG A 67 7.531 18.404 -16.037 1.00 0.00 C ATOM 999 C ARG A 67 7.029 18.877 -14.676 1.00 0.00 C ATOM 1000 O ARG A 67 7.622 19.761 -14.059 1.00 0.00 O ATOM 1001 CB ARG A 67 7.170 19.431 -17.112 1.00 0.00 C ATOM 1002 CG ARG A 67 7.866 19.192 -18.441 1.00 0.00 C ATOM 1003 CD ARG A 67 9.223 19.877 -18.490 1.00 0.00 C ATOM 1004 NE ARG A 67 9.105 21.330 -18.416 1.00 0.00 N ATOM 1005 CZ ARG A 67 10.149 22.152 -18.404 1.00 0.00 C ATOM 1006 NH1 ARG A 67 11.381 21.666 -18.461 1.00 0.00 N ATOM 1007 NH2 ARG A 67 9.961 23.464 -18.336 1.00 0.00 N ATOM 0 H ARG A 67 6.126 17.140 -16.946 1.00 0.00 H new ATOM 0 HA ARG A 67 8.615 18.304 -15.990 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.091 19.416 -17.269 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.426 20.427 -16.751 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.992 18.121 -18.600 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.240 19.563 -19.253 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.839 19.521 -17.664 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.735 19.601 -19.412 1.00 0.00 H new ATOM 0 HE ARG A 67 8.171 21.736 -18.371 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.530 20.658 -18.514 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.180 22.300 -18.452 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.015 23.842 -18.293 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.763 24.094 -18.327 1.00 0.00 H new ATOM 1021 N GLU A 68 5.932 18.283 -14.216 1.00 0.00 N ATOM 1022 CA GLU A 68 5.351 18.646 -12.929 1.00 0.00 C ATOM 1023 C GLU A 68 4.743 20.045 -12.981 1.00 0.00 C ATOM 1024 O GLU A 68 4.784 20.788 -12.002 1.00 0.00 O ATOM 1025 CB GLU A 68 6.411 18.580 -11.828 1.00 0.00 C ATOM 1026 CG GLU A 68 7.457 17.502 -12.054 1.00 0.00 C ATOM 1027 CD GLU A 68 8.305 17.243 -10.824 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.770 16.689 -9.841 1.00 0.00 O ATOM 1029 OE2 GLU A 68 9.503 17.594 -10.844 1.00 0.00 O ATOM 0 H GLU A 68 5.429 17.549 -14.715 1.00 0.00 H new ATOM 0 HA GLU A 68 4.559 17.932 -12.704 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.908 19.547 -11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.919 18.402 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.962 16.577 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.104 17.796 -12.881 1.00 0.00 H new ATOM 1036 N GLY A 69 4.180 20.396 -14.134 1.00 0.00 N ATOM 1037 CA GLY A 69 3.572 21.704 -14.294 1.00 0.00 C ATOM 1038 C GLY A 69 4.569 22.832 -14.114 1.00 0.00 C ATOM 1039 O GLY A 69 4.427 23.659 -13.213 1.00 0.00 O ATOM 0 H GLY A 69 4.134 19.798 -14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.123 21.774 -15.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.765 21.817 -13.570 1.00 0.00 H new ATOM 1043 N LYS A 70 5.583 22.866 -14.972 1.00 0.00 N ATOM 1044 CA LYS A 70 6.609 23.900 -14.904 1.00 0.00 C ATOM 1045 C LYS A 70 6.487 24.865 -16.080 1.00 0.00 C ATOM 1046 O LYS A 70 6.702 24.486 -17.231 1.00 0.00 O ATOM 1047 CB LYS A 70 8.001 23.266 -14.894 1.00 0.00 C ATOM 1048 CG LYS A 70 8.436 22.776 -13.523 1.00 0.00 C ATOM 1049 CD LYS A 70 8.712 23.934 -12.579 1.00 0.00 C ATOM 1050 CE LYS A 70 10.164 24.380 -12.652 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.497 25.364 -11.585 1.00 0.00 N ATOM 0 H LYS A 70 5.716 22.189 -15.723 1.00 0.00 H new ATOM 0 HA LYS A 70 6.465 24.460 -13.980 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.015 22.428 -15.591 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.726 23.995 -15.257 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.660 22.138 -13.100 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.333 22.164 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.060 24.771 -12.829 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.473 23.637 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.816 23.511 -12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.359 24.823 -13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.495 25.643 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.893 26.204 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.336 24.933 -10.652 1.00 0.00 H new ATOM 1065 N SER A 71 6.142 26.113 -15.781 1.00 0.00 N ATOM 1066 CA SER A 71 5.990 27.132 -16.814 1.00 0.00 C ATOM 1067 C SER A 71 7.126 27.051 -17.829 1.00 0.00 C ATOM 1068 O SER A 71 8.174 26.464 -17.558 1.00 0.00 O ATOM 1069 CB SER A 71 5.951 28.525 -16.184 1.00 0.00 C ATOM 1070 OG SER A 71 7.250 28.952 -15.811 1.00 0.00 O ATOM 0 H SER A 71 5.962 26.443 -14.833 1.00 0.00 H new ATOM 0 HA SER A 71 5.049 26.950 -17.334 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.520 29.235 -16.890 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.303 28.513 -15.308 1.00 0.00 H new ATOM 0 HG SER A 71 7.199 29.846 -15.412 1.00 0.00 H new ATOM 1076 N PHE A 72 6.911 27.645 -18.998 1.00 0.00 N ATOM 1077 CA PHE A 72 7.916 27.640 -20.054 1.00 0.00 C ATOM 1078 C PHE A 72 8.402 29.056 -20.348 1.00 0.00 C ATOM 1079 O PHE A 72 7.956 30.021 -19.726 1.00 0.00 O ATOM 1080 CB PHE A 72 7.345 27.010 -21.327 1.00 0.00 C ATOM 1081 CG PHE A 72 7.268 25.511 -21.271 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.193 24.882 -20.665 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.271 24.732 -21.825 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.120 23.503 -20.612 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.204 23.352 -21.775 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.126 22.737 -21.168 1.00 0.00 C ATOM 0 H PHE A 72 6.050 28.136 -19.238 1.00 0.00 H new ATOM 0 HA PHE A 72 8.764 27.047 -19.712 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.347 27.411 -21.505 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.962 27.303 -22.176 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.403 25.476 -20.229 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.115 25.208 -22.301 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.277 23.024 -20.136 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.993 22.756 -22.210 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.070 21.659 -21.128 1.00 0.00 H new ATOM 1096 N LYS A 73 9.321 29.174 -21.301 1.00 0.00 N ATOM 1097 CA LYS A 73 9.869 30.471 -21.680 1.00 0.00 C ATOM 1098 C LYS A 73 8.972 31.163 -22.702 1.00 0.00 C ATOM 1099 O LYS A 73 9.010 32.385 -22.848 1.00 0.00 O ATOM 1100 CB LYS A 73 11.278 30.304 -22.254 1.00 0.00 C ATOM 1101 CG LYS A 73 12.004 31.619 -22.477 1.00 0.00 C ATOM 1102 CD LYS A 73 12.724 32.079 -21.220 1.00 0.00 C ATOM 1103 CE LYS A 73 11.742 32.511 -20.141 1.00 0.00 C ATOM 1104 NZ LYS A 73 12.353 33.483 -19.193 1.00 0.00 N ATOM 0 H LYS A 73 9.702 28.386 -21.825 1.00 0.00 H new ATOM 0 HA LYS A 73 9.918 31.092 -20.786 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.866 29.684 -21.577 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.214 29.769 -23.201 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.723 31.506 -23.288 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.290 32.382 -22.788 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.350 31.271 -20.841 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.388 32.909 -21.463 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.865 32.960 -20.607 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.398 31.635 -19.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.653 33.753 -18.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.175 33.046 -18.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.659 34.330 -19.713 1.00 0.00 H new ATOM 1118 N ALA A 74 8.164 30.375 -23.404 1.00 0.00 N ATOM 1119 CA ALA A 74 7.256 30.914 -24.408 1.00 0.00 C ATOM 1120 C ALA A 74 5.979 30.084 -24.494 1.00 0.00 C ATOM 1121 O ALA A 74 5.884 29.008 -23.903 1.00 0.00 O ATOM 1122 CB ALA A 74 7.942 30.971 -25.765 1.00 0.00 C ATOM 0 H ALA A 74 8.120 29.362 -23.296 1.00 0.00 H new ATOM 0 HA ALA A 74 6.983 31.926 -24.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.252 31.376 -26.505 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.822 31.611 -25.701 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.245 29.967 -26.062 1.00 0.00 H new ATOM 1128 N LYS A 75 4.999 30.590 -25.234 1.00 0.00 N ATOM 1129 CA LYS A 75 3.727 29.897 -25.399 1.00 0.00 C ATOM 1130 C LYS A 75 3.905 28.621 -26.217 1.00 0.00 C ATOM 1131 O LYS A 75 3.496 27.539 -25.794 1.00 0.00 O ATOM 1132 CB LYS A 75 2.707 30.812 -26.079 1.00 0.00 C ATOM 1133 CG LYS A 75 1.325 30.196 -26.205 1.00 0.00 C ATOM 1134 CD LYS A 75 0.524 30.355 -24.923 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.279 31.646 -24.924 1.00 0.00 C ATOM 1136 NZ LYS A 75 0.546 32.812 -25.344 1.00 0.00 N ATOM 0 H LYS A 75 5.061 31.479 -25.730 1.00 0.00 H new ATOM 0 HA LYS A 75 3.359 29.626 -24.409 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.631 31.741 -25.514 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.071 31.073 -27.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.790 30.666 -27.030 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.418 29.137 -26.448 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.150 29.506 -24.806 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.199 30.346 -24.067 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.131 31.543 -25.596 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.680 31.825 -23.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.018 33.682 -25.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.382 32.885 -24.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.851 32.684 -26.330 1.00 0.00 H new ATOM 1150 N TYR A 76 4.518 28.755 -27.387 1.00 0.00 N ATOM 1151 CA TYR A 76 4.749 27.613 -28.264 1.00 0.00 C ATOM 1152 C TYR A 76 5.573 26.541 -27.557 1.00 0.00 C ATOM 1153 O TYR A 76 5.516 25.363 -27.910 1.00 0.00 O ATOM 1154 CB TYR A 76 5.462 28.060 -29.541 1.00 0.00 C ATOM 1155 CG TYR A 76 6.611 29.011 -29.292 1.00 0.00 C ATOM 1156 CD1 TYR A 76 6.402 30.384 -29.235 1.00 0.00 C ATOM 1157 CD2 TYR A 76 7.905 28.538 -29.115 1.00 0.00 C ATOM 1158 CE1 TYR A 76 7.449 31.257 -29.009 1.00 0.00 C ATOM 1159 CE2 TYR A 76 8.957 29.403 -28.887 1.00 0.00 C ATOM 1160 CZ TYR A 76 8.724 30.762 -28.834 1.00 0.00 C ATOM 1161 OH TYR A 76 9.770 31.627 -28.608 1.00 0.00 O ATOM 0 H TYR A 76 4.864 29.643 -27.751 1.00 0.00 H new ATOM 0 HA TYR A 76 3.781 27.187 -28.526 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.836 27.181 -30.065 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.740 28.541 -30.201 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.404 30.775 -29.370 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.092 27.475 -29.156 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.270 32.321 -28.970 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.957 29.018 -28.751 1.00 0.00 H new ATOM 0 HH TYR A 76 10.600 31.117 -28.505 1.00 0.00 H new ATOM 1171 N LYS A 77 6.339 26.959 -26.555 1.00 0.00 N ATOM 1172 CA LYS A 77 7.175 26.037 -25.795 1.00 0.00 C ATOM 1173 C LYS A 77 6.320 25.014 -25.052 1.00 0.00 C ATOM 1174 O LYS A 77 6.690 23.845 -24.942 1.00 0.00 O ATOM 1175 CB LYS A 77 8.046 26.808 -24.800 1.00 0.00 C ATOM 1176 CG LYS A 77 9.098 27.681 -25.462 1.00 0.00 C ATOM 1177 CD LYS A 77 10.387 26.914 -25.705 1.00 0.00 C ATOM 1178 CE LYS A 77 10.232 25.909 -26.836 1.00 0.00 C ATOM 1179 NZ LYS A 77 11.521 25.666 -27.542 1.00 0.00 N ATOM 0 H LYS A 77 6.398 27.931 -26.250 1.00 0.00 H new ATOM 0 HA LYS A 77 7.818 25.506 -26.497 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.406 27.434 -24.178 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.540 26.098 -24.136 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.714 28.059 -26.410 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.302 28.547 -24.832 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.188 27.613 -25.945 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.680 26.395 -24.793 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.854 24.968 -26.437 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.491 26.274 -27.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.374 24.976 -28.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.870 26.559 -27.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.221 25.293 -26.869 1.00 0.00 H new ATOM 1193 N LEU A 78 5.176 25.462 -24.546 1.00 0.00 N ATOM 1194 CA LEU A 78 4.268 24.585 -23.815 1.00 0.00 C ATOM 1195 C LEU A 78 3.427 23.750 -24.775 1.00 0.00 C ATOM 1196 O LEU A 78 3.211 22.559 -24.554 1.00 0.00 O ATOM 1197 CB LEU A 78 3.356 25.408 -22.904 1.00 0.00 C ATOM 1198 CG LEU A 78 2.231 24.640 -22.210 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.801 23.568 -21.295 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.339 25.593 -21.428 1.00 0.00 C ATOM 0 H LEU A 78 4.855 26.427 -24.628 1.00 0.00 H new ATOM 0 HA LEU A 78 4.867 23.910 -23.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.971 25.881 -22.139 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.911 26.208 -23.496 1.00 0.00 H new ATOM 0 HG LEU A 78 1.626 24.151 -22.974 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.985 23.032 -20.810 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.397 22.868 -21.881 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.430 24.034 -20.537 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.544 25.029 -20.940 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.932 26.110 -20.674 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.901 26.323 -22.109 1.00 0.00 H new ATOM 1212 N VAL A 79 2.955 24.383 -25.845 1.00 0.00 N ATOM 1213 CA VAL A 79 2.140 23.699 -26.841 1.00 0.00 C ATOM 1214 C VAL A 79 2.850 22.459 -27.374 1.00 0.00 C ATOM 1215 O VAL A 79 2.214 21.455 -27.689 1.00 0.00 O ATOM 1216 CB VAL A 79 1.798 24.628 -28.021 1.00 0.00 C ATOM 1217 CG1 VAL A 79 1.041 23.866 -29.099 1.00 0.00 C ATOM 1218 CG2 VAL A 79 0.995 25.826 -27.540 1.00 0.00 C ATOM 0 H VAL A 79 3.124 25.369 -26.044 1.00 0.00 H new ATOM 0 HA VAL A 79 1.217 23.401 -26.344 1.00 0.00 H new ATOM 0 HB VAL A 79 2.729 24.994 -28.454 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.808 24.539 -29.924 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.657 23.044 -29.464 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.115 23.469 -28.682 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.762 26.472 -28.387 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.068 25.482 -27.080 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.578 26.384 -26.808 1.00 0.00 H new ATOM 1228 N ASN A 80 4.173 22.537 -27.472 1.00 0.00 N ATOM 1229 CA ASN A 80 4.971 21.421 -27.966 1.00 0.00 C ATOM 1230 C ASN A 80 5.078 20.321 -26.915 1.00 0.00 C ATOM 1231 O ASN A 80 5.283 19.152 -27.243 1.00 0.00 O ATOM 1232 CB ASN A 80 6.368 21.902 -28.362 1.00 0.00 C ATOM 1233 CG ASN A 80 6.332 22.938 -29.469 1.00 0.00 C ATOM 1234 OD1 ASN A 80 5.383 22.993 -30.252 1.00 0.00 O ATOM 1235 ND2 ASN A 80 7.367 23.766 -29.538 1.00 0.00 N ATOM 0 H ASN A 80 4.715 23.362 -27.216 1.00 0.00 H new ATOM 0 HA ASN A 80 4.473 21.011 -28.845 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.865 22.325 -27.489 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.964 21.049 -28.686 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.398 24.485 -30.261 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.131 23.684 -28.868 1.00 0.00 H new ATOM 1242 N HIS A 81 4.938 20.703 -25.650 1.00 0.00 N ATOM 1243 CA HIS A 81 5.018 19.749 -24.549 1.00 0.00 C ATOM 1244 C HIS A 81 3.791 18.842 -24.526 1.00 0.00 C ATOM 1245 O HIS A 81 3.913 17.620 -24.447 1.00 0.00 O ATOM 1246 CB HIS A 81 5.147 20.486 -23.216 1.00 0.00 C ATOM 1247 CG HIS A 81 4.483 19.780 -22.075 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.073 18.741 -21.386 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.271 19.969 -21.501 1.00 0.00 C ATOM 1250 CE1 HIS A 81 4.253 18.321 -20.439 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.153 19.050 -20.487 1.00 0.00 N ATOM 0 H HIS A 81 4.769 21.667 -25.361 1.00 0.00 H new ATOM 0 HA HIS A 81 5.903 19.130 -24.700 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.204 20.619 -22.985 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.715 21.482 -23.317 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.998 18.357 -21.578 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.534 20.705 -21.787 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.449 17.518 -19.744 1.00 0.00 H new ATOM 1259 N ILE A 82 2.611 19.449 -24.596 1.00 0.00 N ATOM 1260 CA ILE A 82 1.363 18.697 -24.583 1.00 0.00 C ATOM 1261 C ILE A 82 1.339 17.653 -25.695 1.00 0.00 C ATOM 1262 O ILE A 82 0.537 16.720 -25.668 1.00 0.00 O ATOM 1263 CB ILE A 82 0.144 19.625 -24.738 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.311 20.872 -23.868 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -1.134 18.885 -24.374 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -0.959 21.679 -23.719 1.00 0.00 C ATOM 0 H ILE A 82 2.493 20.460 -24.662 1.00 0.00 H new ATOM 0 HA ILE A 82 1.306 18.196 -23.616 1.00 0.00 H new ATOM 0 HB ILE A 82 0.075 19.939 -25.779 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.659 20.572 -22.880 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.086 21.505 -24.300 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.987 19.554 -24.488 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.256 18.025 -25.032 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.076 18.545 -23.340 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.766 22.548 -23.090 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.297 22.010 -24.701 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.730 21.062 -23.259 1.00 0.00 H new ATOM 1278 N ARG A 83 2.225 17.817 -26.672 1.00 0.00 N ATOM 1279 CA ARG A 83 2.306 16.890 -27.794 1.00 0.00 C ATOM 1280 C ARG A 83 2.655 15.484 -27.313 1.00 0.00 C ATOM 1281 O ARG A 83 2.328 14.494 -27.967 1.00 0.00 O ATOM 1282 CB ARG A 83 3.351 17.368 -28.804 1.00 0.00 C ATOM 1283 CG ARG A 83 3.220 18.839 -29.165 1.00 0.00 C ATOM 1284 CD ARG A 83 1.872 19.139 -29.801 1.00 0.00 C ATOM 1285 NE ARG A 83 0.803 19.211 -28.808 1.00 0.00 N ATOM 1286 CZ ARG A 83 -0.327 19.885 -28.992 1.00 0.00 C ATOM 1287 NH1 ARG A 83 -0.533 20.542 -30.125 1.00 0.00 N ATOM 1288 NH2 ARG A 83 -1.252 19.903 -28.042 1.00 0.00 N ATOM 0 H ARG A 83 2.897 18.584 -26.709 1.00 0.00 H new ATOM 0 HA ARG A 83 1.330 16.859 -28.278 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.346 17.190 -28.397 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.267 16.771 -29.712 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.344 19.447 -28.269 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.018 19.118 -29.853 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.928 20.083 -30.342 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.636 18.366 -30.532 1.00 0.00 H new ATOM 0 HE ARG A 83 0.931 18.717 -27.925 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.177 20.531 -30.857 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.401 21.059 -30.264 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.096 19.399 -27.169 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.119 20.421 -28.184 1.00 0.00 H new ATOM 1302 N VAL A 84 3.320 15.405 -26.165 1.00 0.00 N ATOM 1303 CA VAL A 84 3.712 14.121 -25.595 1.00 0.00 C ATOM 1304 C VAL A 84 2.570 13.502 -24.797 1.00 0.00 C ATOM 1305 O VAL A 84 2.554 12.296 -24.550 1.00 0.00 O ATOM 1306 CB VAL A 84 4.943 14.266 -24.681 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.047 15.037 -25.389 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.560 14.945 -23.375 1.00 0.00 C ATOM 0 H VAL A 84 3.599 16.215 -25.611 1.00 0.00 H new ATOM 0 HA VAL A 84 3.963 13.467 -26.430 1.00 0.00 H new ATOM 0 HB VAL A 84 5.320 13.270 -24.449 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.908 15.129 -24.727 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.340 14.505 -26.294 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.685 16.030 -25.654 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.442 15.039 -22.742 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.156 15.936 -23.585 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.807 14.348 -22.862 1.00 0.00 H new ATOM 1318 N HIS A 85 1.615 14.336 -24.397 1.00 0.00 N ATOM 1319 CA HIS A 85 0.467 13.870 -23.627 1.00 0.00 C ATOM 1320 C HIS A 85 -0.525 13.133 -24.523 1.00 0.00 C ATOM 1321 O HIS A 85 -1.291 12.289 -24.057 1.00 0.00 O ATOM 1322 CB HIS A 85 -0.225 15.047 -22.941 1.00 0.00 C ATOM 1323 CG HIS A 85 0.502 15.546 -21.730 1.00 0.00 C ATOM 1324 ND1 HIS A 85 1.397 14.775 -21.019 1.00 0.00 N ATOM 1325 CD2 HIS A 85 0.464 16.747 -21.107 1.00 0.00 C ATOM 1326 CE1 HIS A 85 1.876 15.480 -20.009 1.00 0.00 C ATOM 1327 NE2 HIS A 85 1.326 16.680 -20.040 1.00 0.00 N ATOM 0 H HIS A 85 1.613 15.337 -24.593 1.00 0.00 H new ATOM 0 HA HIS A 85 0.828 13.177 -22.867 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.328 15.864 -23.655 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.232 14.747 -22.652 1.00 0.00 H new ATOM 0 HD1 HIS A 85 1.650 13.811 -21.238 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.133 17.599 -21.395 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.595 15.133 -19.282 1.00 0.00 H new ATOM 1335 N THR A 86 -0.506 13.459 -25.812 1.00 0.00 N ATOM 1336 CA THR A 86 -1.404 12.831 -26.772 1.00 0.00 C ATOM 1337 C THR A 86 -1.135 11.334 -26.879 1.00 0.00 C ATOM 1338 O THR A 86 -2.025 10.515 -26.656 1.00 0.00 O ATOM 1339 CB THR A 86 -1.267 13.466 -28.169 1.00 0.00 C ATOM 1340 OG1 THR A 86 0.035 13.202 -28.702 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.499 14.969 -28.104 1.00 0.00 C ATOM 0 H THR A 86 0.122 14.155 -26.215 1.00 0.00 H new ATOM 0 HA THR A 86 -2.418 12.990 -26.406 1.00 0.00 H new ATOM 0 HB THR A 86 -2.021 13.025 -28.820 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.691 13.786 -28.267 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.397 15.396 -29.102 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.502 15.166 -27.725 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.764 15.422 -27.439 1.00 0.00 H new ATOM 1349 N GLY A 87 0.101 10.983 -27.222 1.00 0.00 N ATOM 1350 CA GLY A 87 0.466 9.584 -27.352 1.00 0.00 C ATOM 1351 C GLY A 87 1.165 9.287 -28.664 1.00 0.00 C ATOM 1352 O GLY A 87 1.105 8.165 -29.166 1.00 0.00 O ATOM 0 H GLY A 87 0.856 11.642 -27.412 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.118 9.303 -26.525 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.431 8.969 -27.274 1.00 0.00 H new ATOM 1356 N GLU A 88 1.830 10.295 -29.220 1.00 0.00 N ATOM 1357 CA GLU A 88 2.541 10.135 -30.483 1.00 0.00 C ATOM 1358 C GLU A 88 4.048 10.055 -30.252 1.00 0.00 C ATOM 1359 O GLU A 88 4.673 11.021 -29.814 1.00 0.00 O ATOM 1360 CB GLU A 88 2.220 11.297 -31.425 1.00 0.00 C ATOM 1361 CG GLU A 88 2.269 10.919 -32.896 1.00 0.00 C ATOM 1362 CD GLU A 88 2.036 12.106 -33.812 1.00 0.00 C ATOM 1363 OE1 GLU A 88 2.418 13.232 -33.432 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.472 11.907 -34.908 1.00 0.00 O ATOM 0 H GLU A 88 1.891 11.230 -28.816 1.00 0.00 H new ATOM 0 HA GLU A 88 2.210 9.203 -30.941 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.227 11.681 -31.190 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.926 12.107 -31.243 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.239 10.476 -33.121 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.516 10.157 -33.097 1.00 0.00 H new ATOM 1371 N LYS A 89 4.625 8.896 -30.551 1.00 0.00 N ATOM 1372 CA LYS A 89 6.057 8.687 -30.378 1.00 0.00 C ATOM 1373 C LYS A 89 6.664 8.027 -31.612 1.00 0.00 C ATOM 1374 O LYS A 89 6.022 7.234 -32.301 1.00 0.00 O ATOM 1375 CB LYS A 89 6.322 7.823 -29.142 1.00 0.00 C ATOM 1376 CG LYS A 89 5.263 7.965 -28.063 1.00 0.00 C ATOM 1377 CD LYS A 89 5.441 9.250 -27.272 1.00 0.00 C ATOM 1378 CE LYS A 89 6.397 9.057 -26.104 1.00 0.00 C ATOM 1379 NZ LYS A 89 6.403 10.234 -25.192 1.00 0.00 N ATOM 0 H LYS A 89 4.122 8.087 -30.915 1.00 0.00 H new ATOM 0 HA LYS A 89 6.527 9.661 -30.241 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.382 6.778 -29.446 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.293 8.089 -28.724 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.273 7.952 -28.519 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.314 7.111 -27.388 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.820 10.033 -27.928 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.473 9.587 -26.900 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.112 8.166 -25.545 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.404 8.887 -26.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.066 10.063 -24.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.699 11.080 -25.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.447 10.382 -24.809 1.00 0.00 H new ATOM 1393 N PRO A 90 7.932 8.359 -31.899 1.00 0.00 N ATOM 1394 CA PRO A 90 8.653 7.808 -33.049 1.00 0.00 C ATOM 1395 C PRO A 90 8.977 6.328 -32.876 1.00 0.00 C ATOM 1396 O PRO A 90 8.688 5.513 -33.752 1.00 0.00 O ATOM 1397 CB PRO A 90 9.940 8.636 -33.091 1.00 0.00 C ATOM 1398 CG PRO A 90 10.136 9.101 -31.689 1.00 0.00 C ATOM 1399 CD PRO A 90 8.758 9.298 -31.121 1.00 0.00 C ATOM 0 HA PRO A 90 8.064 7.864 -33.964 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.785 8.038 -33.432 1.00 0.00 H new ATOM 0 HB3 PRO A 90 9.848 9.477 -33.778 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.696 8.367 -31.109 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.706 10.030 -31.662 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.727 9.073 -30.055 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.417 10.327 -31.240 1.00 0.00 H new ATOM 1407 N PHE A 91 9.578 5.988 -31.741 1.00 0.00 N ATOM 1408 CA PHE A 91 9.941 4.605 -31.453 1.00 0.00 C ATOM 1409 C PHE A 91 10.057 4.375 -29.949 1.00 0.00 C ATOM 1410 O PHE A 91 10.846 5.017 -29.256 1.00 0.00 O ATOM 1411 CB PHE A 91 11.262 4.250 -32.138 1.00 0.00 C ATOM 1412 CG PHE A 91 12.041 5.449 -32.597 1.00 0.00 C ATOM 1413 CD1 PHE A 91 12.207 6.544 -31.764 1.00 0.00 C ATOM 1414 CD2 PHE A 91 12.609 5.482 -33.860 1.00 0.00 C ATOM 1415 CE1 PHE A 91 12.922 7.650 -32.184 1.00 0.00 C ATOM 1416 CE2 PHE A 91 13.326 6.584 -34.286 1.00 0.00 C ATOM 1417 CZ PHE A 91 13.484 7.669 -33.446 1.00 0.00 C ATOM 0 H PHE A 91 9.824 6.651 -31.006 1.00 0.00 H new ATOM 0 HA PHE A 91 9.153 3.960 -31.841 1.00 0.00 H new ATOM 0 HB2 PHE A 91 11.875 3.671 -31.448 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.056 3.610 -32.996 1.00 0.00 H new ATOM 0 HD1 PHE A 91 11.773 6.533 -30.775 1.00 0.00 H new ATOM 0 HD2 PHE A 91 12.490 4.636 -34.520 1.00 0.00 H new ATOM 0 HE1 PHE A 91 13.041 8.498 -31.526 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.762 6.597 -35.274 1.00 0.00 H new ATOM 0 HZ PHE A 91 14.046 8.531 -33.775 1.00 0.00 H new ATOM 1427 N PRO A 92 9.251 3.436 -29.431 1.00 0.00 N ATOM 1428 CA PRO A 92 9.243 3.099 -28.005 1.00 0.00 C ATOM 1429 C PRO A 92 10.518 2.382 -27.572 1.00 0.00 C ATOM 1430 O PRO A 92 11.518 2.386 -28.289 1.00 0.00 O ATOM 1431 CB PRO A 92 8.035 2.169 -27.867 1.00 0.00 C ATOM 1432 CG PRO A 92 7.859 1.572 -29.220 1.00 0.00 C ATOM 1433 CD PRO A 92 8.285 2.631 -30.199 1.00 0.00 C ATOM 0 HA PRO A 92 9.188 3.988 -27.377 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.212 1.400 -27.115 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.146 2.719 -27.558 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.464 0.672 -29.331 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.822 1.281 -29.386 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.741 2.196 -31.088 1.00 0.00 H new ATOM 0 HD3 PRO A 92 7.439 3.231 -30.535 1.00 0.00 H new ATOM 1441 N CYS A 93 10.475 1.768 -26.394 1.00 0.00 N ATOM 1442 CA CYS A 93 11.626 1.048 -25.865 1.00 0.00 C ATOM 1443 C CYS A 93 11.605 -0.412 -26.309 1.00 0.00 C ATOM 1444 O CYS A 93 10.575 -1.085 -26.268 1.00 0.00 O ATOM 1445 CB CYS A 93 11.646 1.127 -24.337 1.00 0.00 C ATOM 1446 SG CYS A 93 13.091 0.327 -23.569 1.00 0.00 S ATOM 0 H CYS A 93 9.655 1.755 -25.788 1.00 0.00 H new ATOM 0 HA CYS A 93 12.528 1.517 -26.258 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.623 2.175 -24.038 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.739 0.664 -23.948 1.00 0.00 H new ATOM 1451 N PRO A 94 12.770 -0.916 -26.743 1.00 0.00 N ATOM 1452 CA PRO A 94 12.913 -2.300 -27.202 1.00 0.00 C ATOM 1453 C PRO A 94 12.792 -3.305 -26.061 1.00 0.00 C ATOM 1454 O PRO A 94 12.484 -4.476 -26.281 1.00 0.00 O ATOM 1455 CB PRO A 94 14.323 -2.334 -27.796 1.00 0.00 C ATOM 1456 CG PRO A 94 15.056 -1.244 -27.094 1.00 0.00 C ATOM 1457 CD PRO A 94 14.039 -0.171 -26.818 1.00 0.00 C ATOM 0 HA PRO A 94 12.131 -2.577 -27.909 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.799 -3.301 -27.631 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.303 -2.168 -28.873 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.501 -1.607 -26.168 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.870 -0.861 -27.710 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.252 0.355 -25.887 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.019 0.578 -27.610 1.00 0.00 H new ATOM 1465 N PHE A 95 13.035 -2.839 -24.840 1.00 0.00 N ATOM 1466 CA PHE A 95 12.954 -3.697 -23.664 1.00 0.00 C ATOM 1467 C PHE A 95 11.503 -4.049 -23.347 1.00 0.00 C ATOM 1468 O PHE A 95 10.621 -3.191 -23.325 1.00 0.00 O ATOM 1469 CB PHE A 95 13.599 -3.009 -22.459 1.00 0.00 C ATOM 1470 CG PHE A 95 14.121 -3.970 -21.429 1.00 0.00 C ATOM 1471 CD1 PHE A 95 13.248 -4.717 -20.654 1.00 0.00 C ATOM 1472 CD2 PHE A 95 15.484 -4.126 -21.235 1.00 0.00 C ATOM 1473 CE1 PHE A 95 13.725 -5.600 -19.705 1.00 0.00 C ATOM 1474 CE2 PHE A 95 15.967 -5.009 -20.287 1.00 0.00 C ATOM 1475 CZ PHE A 95 15.086 -5.748 -19.522 1.00 0.00 C ATOM 0 H PHE A 95 13.290 -1.872 -24.640 1.00 0.00 H new ATOM 0 HA PHE A 95 13.495 -4.619 -23.879 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.419 -2.380 -22.806 1.00 0.00 H new ATOM 0 HB3 PHE A 95 12.867 -2.350 -21.992 1.00 0.00 H new ATOM 0 HD1 PHE A 95 12.183 -4.607 -20.794 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.177 -3.551 -21.831 1.00 0.00 H new ATOM 0 HE1 PHE A 95 13.034 -6.175 -19.106 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.032 -5.121 -20.145 1.00 0.00 H new ATOM 0 HZ PHE A 95 15.460 -6.440 -18.782 1.00 0.00 H new ATOM 1485 N PRO A 96 11.250 -5.341 -23.095 1.00 0.00 N ATOM 1486 CA PRO A 96 9.908 -5.837 -22.774 1.00 0.00 C ATOM 1487 C PRO A 96 9.433 -5.376 -21.401 1.00 0.00 C ATOM 1488 O PRO A 96 8.357 -4.794 -21.269 1.00 0.00 O ATOM 1489 CB PRO A 96 10.077 -7.359 -22.798 1.00 0.00 C ATOM 1490 CG PRO A 96 11.520 -7.584 -22.501 1.00 0.00 C ATOM 1491 CD PRO A 96 12.254 -6.419 -23.104 1.00 0.00 C ATOM 0 HA PRO A 96 9.159 -5.466 -23.473 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.440 -7.840 -22.055 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.803 -7.773 -23.769 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.693 -7.640 -21.426 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.864 -8.526 -22.929 1.00 0.00 H new ATOM 0 HD2 PRO A 96 13.135 -6.153 -22.519 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.597 -6.640 -24.115 1.00 0.00 H new ATOM 1499 N GLY A 97 10.243 -5.639 -20.380 1.00 0.00 N ATOM 1500 CA GLY A 97 9.887 -5.243 -19.030 1.00 0.00 C ATOM 1501 C GLY A 97 10.176 -3.779 -18.759 1.00 0.00 C ATOM 1502 O GLY A 97 10.622 -3.418 -17.670 1.00 0.00 O ATOM 0 H GLY A 97 11.139 -6.119 -20.464 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.827 -5.437 -18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.438 -5.857 -18.317 1.00 0.00 H new ATOM 1506 N CYS A 98 9.924 -2.935 -19.754 1.00 0.00 N ATOM 1507 CA CYS A 98 10.163 -1.503 -19.620 1.00 0.00 C ATOM 1508 C CYS A 98 8.938 -0.704 -20.058 1.00 0.00 C ATOM 1509 O CYS A 98 8.332 0.011 -19.262 1.00 0.00 O ATOM 1510 CB CYS A 98 11.380 -1.087 -20.448 1.00 0.00 C ATOM 1511 SG CYS A 98 11.921 0.629 -20.166 1.00 0.00 S ATOM 0 H CYS A 98 9.554 -3.218 -20.662 1.00 0.00 H new ATOM 0 HA CYS A 98 10.358 -1.290 -18.569 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.207 -1.759 -20.221 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.147 -1.214 -21.505 1.00 0.00 H new ATOM 1516 N GLY A 99 8.580 -0.833 -21.332 1.00 0.00 N ATOM 1517 CA GLY A 99 7.430 -0.118 -21.855 1.00 0.00 C ATOM 1518 C GLY A 99 7.629 1.384 -21.849 1.00 0.00 C ATOM 1519 O GLY A 99 6.662 2.146 -21.865 1.00 0.00 O ATOM 0 H GLY A 99 9.065 -1.419 -22.011 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.232 -0.451 -22.874 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.550 -0.367 -21.261 1.00 0.00 H new ATOM 1523 N LYS A 100 8.886 1.813 -21.824 1.00 0.00 N ATOM 1524 CA LYS A 100 9.211 3.234 -21.815 1.00 0.00 C ATOM 1525 C LYS A 100 9.297 3.782 -23.236 1.00 0.00 C ATOM 1526 O LYS A 100 9.643 3.057 -24.170 1.00 0.00 O ATOM 1527 CB LYS A 100 10.534 3.472 -21.084 1.00 0.00 C ATOM 1528 CG LYS A 100 11.071 4.884 -21.241 1.00 0.00 C ATOM 1529 CD LYS A 100 10.277 5.878 -20.410 1.00 0.00 C ATOM 1530 CE LYS A 100 11.153 7.023 -19.925 1.00 0.00 C ATOM 1531 NZ LYS A 100 10.461 7.855 -18.901 1.00 0.00 N ATOM 0 H LYS A 100 9.698 1.196 -21.810 1.00 0.00 H new ATOM 0 HA LYS A 100 8.414 3.760 -21.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.396 3.261 -20.024 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.277 2.766 -21.456 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.118 4.911 -20.940 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.033 5.174 -22.291 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.453 6.275 -21.004 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.836 5.368 -19.554 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.075 6.622 -19.504 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.435 7.649 -20.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.091 8.624 -18.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.594 8.259 -19.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.215 7.264 -18.082 1.00 0.00 H new ATOM 1545 N ILE A 101 8.983 5.063 -23.392 1.00 0.00 N ATOM 1546 CA ILE A 101 9.028 5.707 -24.699 1.00 0.00 C ATOM 1547 C ILE A 101 9.546 7.137 -24.590 1.00 0.00 C ATOM 1548 O ILE A 101 9.315 7.818 -23.590 1.00 0.00 O ATOM 1549 CB ILE A 101 7.640 5.725 -25.365 1.00 0.00 C ATOM 1550 CG1 ILE A 101 6.898 4.417 -25.085 1.00 0.00 C ATOM 1551 CG2 ILE A 101 7.775 5.954 -26.864 1.00 0.00 C ATOM 1552 CD1 ILE A 101 5.519 4.359 -25.706 1.00 0.00 C ATOM 0 H ILE A 101 8.695 5.676 -22.629 1.00 0.00 H new ATOM 0 HA ILE A 101 9.711 5.122 -25.316 1.00 0.00 H new ATOM 0 HB ILE A 101 7.061 6.546 -24.942 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.492 3.584 -25.461 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.808 4.283 -24.007 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.786 5.964 -27.321 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.267 6.910 -27.043 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.369 5.152 -27.303 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.052 3.404 -25.466 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.908 5.171 -25.312 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.603 4.461 -26.788 1.00 0.00 H new ATOM 1564 N PHE A 102 10.247 7.587 -25.625 1.00 0.00 N ATOM 1565 CA PHE A 102 10.798 8.937 -25.647 1.00 0.00 C ATOM 1566 C PHE A 102 10.459 9.642 -26.957 1.00 0.00 C ATOM 1567 O PHE A 102 10.334 9.005 -28.003 1.00 0.00 O ATOM 1568 CB PHE A 102 12.315 8.894 -25.455 1.00 0.00 C ATOM 1569 CG PHE A 102 12.758 7.935 -24.388 1.00 0.00 C ATOM 1570 CD1 PHE A 102 12.521 6.576 -24.519 1.00 0.00 C ATOM 1571 CD2 PHE A 102 13.411 8.391 -23.254 1.00 0.00 C ATOM 1572 CE1 PHE A 102 12.927 5.691 -23.538 1.00 0.00 C ATOM 1573 CE2 PHE A 102 13.819 7.511 -22.270 1.00 0.00 C ATOM 1574 CZ PHE A 102 13.578 6.158 -22.413 1.00 0.00 C ATOM 0 H PHE A 102 10.447 7.036 -26.460 1.00 0.00 H new ATOM 0 HA PHE A 102 10.351 9.499 -24.827 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.785 8.617 -26.399 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.670 9.894 -25.204 1.00 0.00 H new ATOM 0 HD1 PHE A 102 12.014 6.204 -25.397 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.603 9.447 -23.138 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.735 4.634 -23.651 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.325 7.880 -21.390 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.898 5.467 -21.647 1.00 0.00 H new ATOM 1584 N ALA A 103 10.310 10.961 -26.891 1.00 0.00 N ATOM 1585 CA ALA A 103 9.987 11.753 -28.071 1.00 0.00 C ATOM 1586 C ALA A 103 11.224 11.983 -28.934 1.00 0.00 C ATOM 1587 O ALA A 103 11.120 12.410 -30.083 1.00 0.00 O ATOM 1588 CB ALA A 103 9.373 13.083 -27.662 1.00 0.00 C ATOM 0 H ALA A 103 10.408 11.503 -26.033 1.00 0.00 H new ATOM 0 HA ALA A 103 9.261 11.196 -28.664 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.137 13.664 -28.553 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.460 12.903 -27.094 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.081 13.636 -27.045 1.00 0.00 H new ATOM 1594 N ARG A 104 12.394 11.697 -28.371 1.00 0.00 N ATOM 1595 CA ARG A 104 13.650 11.874 -29.088 1.00 0.00 C ATOM 1596 C ARG A 104 14.332 10.531 -29.332 1.00 0.00 C ATOM 1597 O ARG A 104 14.186 9.598 -28.543 1.00 0.00 O ATOM 1598 CB ARG A 104 14.584 12.797 -28.303 1.00 0.00 C ATOM 1599 CG ARG A 104 13.973 14.150 -27.979 1.00 0.00 C ATOM 1600 CD ARG A 104 13.039 14.067 -26.781 1.00 0.00 C ATOM 1601 NE ARG A 104 12.692 15.388 -26.265 1.00 0.00 N ATOM 1602 CZ ARG A 104 13.566 16.205 -25.688 1.00 0.00 C ATOM 1603 NH1 ARG A 104 14.834 15.838 -25.556 1.00 0.00 N ATOM 1604 NH2 ARG A 104 13.174 17.392 -25.243 1.00 0.00 N ATOM 0 H ARG A 104 12.497 11.342 -27.420 1.00 0.00 H new ATOM 0 HA ARG A 104 13.427 12.329 -30.053 1.00 0.00 H new ATOM 0 HB2 ARG A 104 14.870 12.305 -27.373 1.00 0.00 H new ATOM 0 HB3 ARG A 104 15.498 12.949 -28.877 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.766 14.869 -27.774 1.00 0.00 H new ATOM 0 HG3 ARG A 104 13.424 14.519 -28.845 1.00 0.00 H new ATOM 0 HD2 ARG A 104 12.129 13.539 -27.067 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.512 13.483 -25.992 1.00 0.00 H new ATOM 0 HE ARG A 104 11.725 15.701 -26.352 1.00 0.00 H new ATOM 0 HH11 ARG A 104 15.139 14.927 -25.898 1.00 0.00 H new ATOM 0 HH12 ARG A 104 15.503 16.467 -25.113 1.00 0.00 H new ATOM 0 HH21 ARG A 104 12.200 17.678 -25.344 1.00 0.00 H new ATOM 0 HH22 ARG A 104 13.846 18.018 -24.800 1.00 0.00 H new ATOM 1618 N SER A 105 15.076 10.441 -30.429 1.00 0.00 N ATOM 1619 CA SER A 105 15.776 9.211 -30.779 1.00 0.00 C ATOM 1620 C SER A 105 16.985 8.997 -29.873 1.00 0.00 C ATOM 1621 O SER A 105 17.161 7.922 -29.300 1.00 0.00 O ATOM 1622 CB SER A 105 16.222 9.252 -32.242 1.00 0.00 C ATOM 1623 OG SER A 105 16.285 7.947 -32.793 1.00 0.00 O ATOM 0 H SER A 105 15.210 11.205 -31.091 1.00 0.00 H new ATOM 0 HA SER A 105 15.087 8.378 -30.639 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.527 9.861 -32.820 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.200 9.728 -32.314 1.00 0.00 H new ATOM 0 HG SER A 105 15.397 7.533 -32.756 1.00 0.00 H new ATOM 1629 N GLU A 106 17.813 10.029 -29.749 1.00 0.00 N ATOM 1630 CA GLU A 106 19.006 9.954 -28.913 1.00 0.00 C ATOM 1631 C GLU A 106 18.639 9.622 -27.469 1.00 0.00 C ATOM 1632 O GLU A 106 19.367 8.909 -26.781 1.00 0.00 O ATOM 1633 CB GLU A 106 19.775 11.276 -28.964 1.00 0.00 C ATOM 1634 CG GLU A 106 21.087 11.246 -28.198 1.00 0.00 C ATOM 1635 CD GLU A 106 22.139 12.152 -28.807 1.00 0.00 C ATOM 1636 OE1 GLU A 106 22.095 12.368 -30.036 1.00 0.00 O ATOM 1637 OE2 GLU A 106 23.006 12.645 -28.056 1.00 0.00 O ATOM 0 H GLU A 106 17.680 10.926 -30.216 1.00 0.00 H new ATOM 0 HA GLU A 106 19.641 9.157 -29.301 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.977 11.529 -30.005 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.146 12.069 -28.559 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.908 11.547 -27.166 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.465 10.224 -28.171 1.00 0.00 H new ATOM 1644 N ASN A 107 17.503 10.146 -27.019 1.00 0.00 N ATOM 1645 CA ASN A 107 17.039 9.907 -25.657 1.00 0.00 C ATOM 1646 C ASN A 107 16.727 8.429 -25.440 1.00 0.00 C ATOM 1647 O ASN A 107 16.824 7.920 -24.323 1.00 0.00 O ATOM 1648 CB ASN A 107 15.796 10.750 -25.364 1.00 0.00 C ATOM 1649 CG ASN A 107 16.135 12.203 -25.090 1.00 0.00 C ATOM 1650 OD1 ASN A 107 15.491 12.858 -24.270 1.00 0.00 O ATOM 1651 ND2 ASN A 107 17.151 12.713 -25.776 1.00 0.00 N ATOM 0 H ASN A 107 16.888 10.738 -27.577 1.00 0.00 H new ATOM 0 HA ASN A 107 17.836 10.197 -24.972 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.113 10.693 -26.212 1.00 0.00 H new ATOM 0 HB3 ASN A 107 15.272 10.333 -24.504 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.426 13.685 -25.633 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.657 12.133 -26.446 1.00 0.00 H new ATOM 1658 N LEU A 108 16.352 7.745 -26.516 1.00 0.00 N ATOM 1659 CA LEU A 108 16.026 6.325 -26.445 1.00 0.00 C ATOM 1660 C LEU A 108 17.283 5.471 -26.575 1.00 0.00 C ATOM 1661 O LEU A 108 17.582 4.651 -25.706 1.00 0.00 O ATOM 1662 CB LEU A 108 15.028 5.955 -27.543 1.00 0.00 C ATOM 1663 CG LEU A 108 14.565 4.498 -27.567 1.00 0.00 C ATOM 1664 CD1 LEU A 108 14.406 3.966 -26.151 1.00 0.00 C ATOM 1665 CD2 LEU A 108 13.260 4.365 -28.339 1.00 0.00 C ATOM 0 H LEU A 108 16.266 8.151 -27.448 1.00 0.00 H new ATOM 0 HA LEU A 108 15.575 6.129 -25.472 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.150 6.592 -27.438 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.478 6.188 -28.508 1.00 0.00 H new ATOM 0 HG LEU A 108 15.325 3.903 -28.074 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.076 2.928 -26.187 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.362 4.025 -25.631 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.666 4.564 -25.619 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.946 3.321 -28.346 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.491 4.972 -27.861 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.407 4.706 -29.364 1.00 0.00 H new ATOM 1677 N LYS A 109 18.017 5.669 -27.664 1.00 0.00 N ATOM 1678 CA LYS A 109 19.244 4.920 -27.908 1.00 0.00 C ATOM 1679 C LYS A 109 20.201 5.046 -26.727 1.00 0.00 C ATOM 1680 O LYS A 109 21.049 4.180 -26.509 1.00 0.00 O ATOM 1681 CB LYS A 109 19.924 5.418 -29.185 1.00 0.00 C ATOM 1682 CG LYS A 109 18.974 5.573 -30.360 1.00 0.00 C ATOM 1683 CD LYS A 109 19.686 5.359 -31.685 1.00 0.00 C ATOM 1684 CE LYS A 109 18.709 4.986 -32.789 1.00 0.00 C ATOM 1685 NZ LYS A 109 19.321 5.121 -34.140 1.00 0.00 N ATOM 0 H LYS A 109 17.783 6.343 -28.393 1.00 0.00 H new ATOM 0 HA LYS A 109 18.981 3.869 -28.030 1.00 0.00 H new ATOM 0 HB2 LYS A 109 20.398 6.378 -28.983 1.00 0.00 H new ATOM 0 HB3 LYS A 109 20.717 4.722 -29.459 1.00 0.00 H new ATOM 0 HG2 LYS A 109 18.157 4.858 -30.265 1.00 0.00 H new ATOM 0 HG3 LYS A 109 18.530 6.568 -30.341 1.00 0.00 H new ATOM 0 HD2 LYS A 109 20.221 6.267 -31.963 1.00 0.00 H new ATOM 0 HD3 LYS A 109 20.431 4.571 -31.576 1.00 0.00 H new ATOM 0 HE2 LYS A 109 18.372 3.960 -32.644 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.827 5.623 -32.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.623 4.858 -34.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 19.620 6.106 -34.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 20.148 4.494 -34.211 1.00 0.00 H new ATOM 1699 N ILE A 110 20.059 6.127 -25.968 1.00 0.00 N ATOM 1700 CA ILE A 110 20.910 6.363 -24.808 1.00 0.00 C ATOM 1701 C ILE A 110 20.367 5.651 -23.574 1.00 0.00 C ATOM 1702 O ILE A 110 21.129 5.210 -22.713 1.00 0.00 O ATOM 1703 CB ILE A 110 21.041 7.867 -24.503 1.00 0.00 C ATOM 1704 CG1 ILE A 110 21.856 8.562 -25.595 1.00 0.00 C ATOM 1705 CG2 ILE A 110 21.683 8.077 -23.140 1.00 0.00 C ATOM 1706 CD1 ILE A 110 21.825 10.072 -25.504 1.00 0.00 C ATOM 0 H ILE A 110 19.363 6.853 -26.135 1.00 0.00 H new ATOM 0 HA ILE A 110 21.894 5.963 -25.052 1.00 0.00 H new ATOM 0 HB ILE A 110 20.044 8.307 -24.485 1.00 0.00 H new ATOM 0 HG12 ILE A 110 22.890 8.224 -25.536 1.00 0.00 H new ATOM 0 HG13 ILE A 110 21.476 8.257 -26.570 1.00 0.00 H new ATOM 0 HG21 ILE A 110 21.769 9.145 -22.939 1.00 0.00 H new ATOM 0 HG22 ILE A 110 21.066 7.611 -22.372 1.00 0.00 H new ATOM 0 HG23 ILE A 110 22.675 7.625 -23.132 1.00 0.00 H new ATOM 0 HD11 ILE A 110 22.424 10.497 -26.309 1.00 0.00 H new ATOM 0 HD12 ILE A 110 20.796 10.421 -25.594 1.00 0.00 H new ATOM 0 HD13 ILE A 110 22.232 10.387 -24.543 1.00 0.00 H new ATOM 1718 N HIS A 111 19.044 5.540 -23.495 1.00 0.00 N ATOM 1719 CA HIS A 111 18.399 4.878 -22.367 1.00 0.00 C ATOM 1720 C HIS A 111 18.437 3.362 -22.532 1.00 0.00 C ATOM 1721 O HIS A 111 18.277 2.617 -21.565 1.00 0.00 O ATOM 1722 CB HIS A 111 16.951 5.351 -22.232 1.00 0.00 C ATOM 1723 CG HIS A 111 16.041 4.329 -21.623 1.00 0.00 C ATOM 1724 ND1 HIS A 111 16.031 4.038 -20.276 1.00 0.00 N ATOM 1725 CD2 HIS A 111 15.106 3.529 -22.187 1.00 0.00 C ATOM 1726 CE1 HIS A 111 15.130 3.101 -20.037 1.00 0.00 C ATOM 1727 NE2 HIS A 111 14.554 2.776 -21.180 1.00 0.00 N ATOM 0 H HIS A 111 18.399 5.900 -24.198 1.00 0.00 H new ATOM 0 HA HIS A 111 18.946 5.141 -21.462 1.00 0.00 H new ATOM 0 HB2 HIS A 111 16.928 6.255 -21.623 1.00 0.00 H new ATOM 0 HB3 HIS A 111 16.572 5.621 -23.218 1.00 0.00 H new ATOM 0 HD1 HIS A 111 16.626 4.477 -19.573 1.00 0.00 H new ATOM 0 HD2 HIS A 111 14.843 3.490 -23.234 1.00 0.00 H new ATOM 0 HE1 HIS A 111 14.903 2.674 -19.071 1.00 0.00 H new ATOM 1735 N LYS A 112 18.651 2.911 -23.764 1.00 0.00 N ATOM 1736 CA LYS A 112 18.712 1.484 -24.056 1.00 0.00 C ATOM 1737 C LYS A 112 20.029 0.885 -23.574 1.00 0.00 C ATOM 1738 O LYS A 112 20.105 -0.304 -23.265 1.00 0.00 O ATOM 1739 CB LYS A 112 18.549 1.243 -25.559 1.00 0.00 C ATOM 1740 CG LYS A 112 17.104 1.267 -26.026 1.00 0.00 C ATOM 1741 CD LYS A 112 16.983 1.819 -27.436 1.00 0.00 C ATOM 1742 CE LYS A 112 17.758 0.973 -28.434 1.00 0.00 C ATOM 1743 NZ LYS A 112 18.315 1.795 -29.544 1.00 0.00 N ATOM 0 H LYS A 112 18.785 3.514 -24.576 1.00 0.00 H new ATOM 0 HA LYS A 112 17.896 0.995 -23.525 1.00 0.00 H new ATOM 0 HB2 LYS A 112 19.110 2.002 -26.103 1.00 0.00 H new ATOM 0 HB3 LYS A 112 18.988 0.278 -25.813 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.693 0.258 -25.993 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.510 1.875 -25.344 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.933 1.854 -27.725 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.354 2.843 -27.460 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.570 0.458 -27.920 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.103 0.205 -28.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.373 1.218 -30.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.696 2.613 -29.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 19.266 2.128 -29.286 1.00 0.00 H new ATOM 1757 N ARG A 113 21.064 1.717 -23.512 1.00 0.00 N ATOM 1758 CA ARG A 113 22.378 1.269 -23.068 1.00 0.00 C ATOM 1759 C ARG A 113 22.494 1.346 -21.548 1.00 0.00 C ATOM 1760 O ARG A 113 23.142 0.508 -20.920 1.00 0.00 O ATOM 1761 CB ARG A 113 23.476 2.114 -23.717 1.00 0.00 C ATOM 1762 CG ARG A 113 23.290 3.610 -23.517 1.00 0.00 C ATOM 1763 CD ARG A 113 24.438 4.400 -24.127 1.00 0.00 C ATOM 1764 NE ARG A 113 25.611 4.419 -23.258 1.00 0.00 N ATOM 1765 CZ ARG A 113 26.687 5.162 -23.492 1.00 0.00 C ATOM 1766 NH1 ARG A 113 26.736 5.944 -24.561 1.00 0.00 N ATOM 1767 NH2 ARG A 113 27.715 5.126 -22.654 1.00 0.00 N ATOM 0 H ARG A 113 21.018 2.704 -23.764 1.00 0.00 H new ATOM 0 HA ARG A 113 22.501 0.230 -23.373 1.00 0.00 H new ATOM 0 HB2 ARG A 113 24.441 1.818 -23.306 1.00 0.00 H new ATOM 0 HB3 ARG A 113 23.505 1.899 -24.785 1.00 0.00 H new ATOM 0 HG2 ARG A 113 22.349 3.925 -23.969 1.00 0.00 H new ATOM 0 HG3 ARG A 113 23.221 3.830 -22.452 1.00 0.00 H new ATOM 0 HD2 ARG A 113 24.707 3.965 -25.089 1.00 0.00 H new ATOM 0 HD3 ARG A 113 24.113 5.422 -24.319 1.00 0.00 H new ATOM 0 HE ARG A 113 25.604 3.829 -22.426 1.00 0.00 H new ATOM 0 HH11 ARG A 113 25.946 5.976 -25.206 1.00 0.00 H new ATOM 0 HH12 ARG A 113 27.563 6.514 -24.739 1.00 0.00 H new ATOM 0 HH21 ARG A 113 27.680 4.527 -21.829 1.00 0.00 H new ATOM 0 HH22 ARG A 113 28.541 5.697 -22.835 1.00 0.00 H new ATOM 1781 N THR A 114 21.860 2.357 -20.962 1.00 0.00 N ATOM 1782 CA THR A 114 21.893 2.545 -19.517 1.00 0.00 C ATOM 1783 C THR A 114 20.625 2.006 -18.864 1.00 0.00 C ATOM 1784 O THR A 114 20.593 1.760 -17.658 1.00 0.00 O ATOM 1785 CB THR A 114 22.055 4.032 -19.148 1.00 0.00 C ATOM 1786 OG1 THR A 114 22.652 4.152 -17.852 1.00 0.00 O ATOM 1787 CG2 THR A 114 20.709 4.742 -19.160 1.00 0.00 C ATOM 0 H THR A 114 21.317 3.058 -21.466 1.00 0.00 H new ATOM 0 HA THR A 114 22.754 1.990 -19.145 1.00 0.00 H new ATOM 0 HB THR A 114 22.701 4.500 -19.890 1.00 0.00 H new ATOM 0 HG1 THR A 114 21.950 4.172 -17.169 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.848 5.790 -18.896 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.270 4.673 -20.155 1.00 0.00 H new ATOM 0 HG23 THR A 114 20.043 4.272 -18.437 1.00 0.00 H new ATOM 1795 N HIS A 115 19.582 1.823 -19.668 1.00 0.00 N ATOM 1796 CA HIS A 115 18.312 1.311 -19.167 1.00 0.00 C ATOM 1797 C HIS A 115 18.192 1.533 -17.662 1.00 0.00 C ATOM 1798 O HIS A 115 17.951 0.594 -16.902 1.00 0.00 O ATOM 1799 CB HIS A 115 18.176 -0.178 -19.488 1.00 0.00 C ATOM 1800 CG HIS A 115 16.814 -0.563 -19.976 1.00 0.00 C ATOM 1801 ND1 HIS A 115 16.021 -1.494 -19.338 1.00 0.00 N ATOM 1802 CD2 HIS A 115 16.103 -0.137 -21.046 1.00 0.00 C ATOM 1803 CE1 HIS A 115 14.883 -1.625 -19.996 1.00 0.00 C ATOM 1804 NE2 HIS A 115 14.907 -0.812 -21.036 1.00 0.00 N ATOM 0 H HIS A 115 19.592 2.022 -20.668 1.00 0.00 H new ATOM 0 HA HIS A 115 17.508 1.856 -19.662 1.00 0.00 H new ATOM 0 HB2 HIS A 115 18.913 -0.447 -20.244 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.410 -0.757 -18.594 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.418 0.597 -21.773 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.071 -2.285 -19.729 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.159 -0.703 -21.721 1.00 0.00 H new ATOM 1812 N THR A 116 18.362 2.781 -17.237 1.00 0.00 N ATOM 1813 CA THR A 116 18.274 3.125 -15.824 1.00 0.00 C ATOM 1814 C THR A 116 16.858 3.543 -15.446 1.00 0.00 C ATOM 1815 O THR A 116 16.069 3.943 -16.301 1.00 0.00 O ATOM 1816 CB THR A 116 19.246 4.265 -15.462 1.00 0.00 C ATOM 1817 OG1 THR A 116 20.593 3.777 -15.459 1.00 0.00 O ATOM 1818 CG2 THR A 116 18.911 4.850 -14.099 1.00 0.00 C ATOM 0 H THR A 116 18.561 3.570 -17.852 1.00 0.00 H new ATOM 0 HA THR A 116 18.548 2.231 -15.264 1.00 0.00 H new ATOM 0 HB THR A 116 19.145 5.050 -16.211 1.00 0.00 H new ATOM 0 HG1 THR A 116 20.680 3.052 -16.113 1.00 0.00 H new ATOM 0 HG21 THR A 116 19.611 5.653 -13.866 1.00 0.00 H new ATOM 0 HG22 THR A 116 17.896 5.246 -14.113 1.00 0.00 H new ATOM 0 HG23 THR A 116 18.986 4.071 -13.340 1.00 0.00 H new ATOM 1826 N GLY A 117 16.541 3.446 -14.158 1.00 0.00 N ATOM 1827 CA GLY A 117 15.218 3.818 -13.690 1.00 0.00 C ATOM 1828 C GLY A 117 14.201 2.712 -13.888 1.00 0.00 C ATOM 1829 O GLY A 117 13.529 2.303 -12.942 1.00 0.00 O ATOM 0 H GLY A 117 17.176 3.117 -13.431 1.00 0.00 H new ATOM 0 HA2 GLY A 117 15.269 4.075 -12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 117 14.887 4.711 -14.219 1.00 0.00 H new ATOM 1833 N GLU A 118 14.087 2.229 -15.121 1.00 0.00 N ATOM 1834 CA GLU A 118 13.142 1.165 -15.440 1.00 0.00 C ATOM 1835 C GLU A 118 13.726 -0.203 -15.097 1.00 0.00 C ATOM 1836 O GLU A 118 14.861 -0.514 -15.459 1.00 0.00 O ATOM 1837 CB GLU A 118 12.765 1.214 -16.922 1.00 0.00 C ATOM 1838 CG GLU A 118 12.132 2.529 -17.346 1.00 0.00 C ATOM 1839 CD GLU A 118 11.362 3.194 -16.222 1.00 0.00 C ATOM 1840 OE1 GLU A 118 10.261 2.708 -15.889 1.00 0.00 O ATOM 1841 OE2 GLU A 118 11.859 4.201 -15.675 1.00 0.00 O ATOM 0 H GLU A 118 14.637 2.557 -15.915 1.00 0.00 H new ATOM 0 HA GLU A 118 12.245 1.319 -14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 118 13.659 1.041 -17.521 1.00 0.00 H new ATOM 0 HB3 GLU A 118 12.073 0.401 -17.139 1.00 0.00 H new ATOM 0 HG2 GLU A 118 12.910 3.206 -17.698 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.460 2.351 -18.186 1.00 0.00 H new ATOM 1848 N LYS A 119 12.943 -1.015 -14.397 1.00 0.00 N ATOM 1849 CA LYS A 119 13.380 -2.350 -14.004 1.00 0.00 C ATOM 1850 C LYS A 119 12.433 -3.414 -14.550 1.00 0.00 C ATOM 1851 O LYS A 119 11.229 -3.197 -14.687 1.00 0.00 O ATOM 1852 CB LYS A 119 13.459 -2.456 -12.480 1.00 0.00 C ATOM 1853 CG LYS A 119 12.376 -1.673 -11.759 1.00 0.00 C ATOM 1854 CD LYS A 119 12.753 -0.209 -11.607 1.00 0.00 C ATOM 1855 CE LYS A 119 11.520 0.677 -11.511 1.00 0.00 C ATOM 1856 NZ LYS A 119 10.511 0.124 -10.566 1.00 0.00 N ATOM 0 H LYS A 119 12.001 -0.772 -14.089 1.00 0.00 H new ATOM 0 HA LYS A 119 14.371 -2.519 -14.425 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.389 -3.505 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.435 -2.099 -12.149 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.440 -1.753 -12.311 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.204 -2.109 -10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.365 -0.081 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.360 0.102 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.814 1.675 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.072 0.784 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.795 0.849 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.051 -0.704 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.981 -0.160 -9.683 1.00 0.00 H new ATOM 1870 N PRO A 120 12.987 -4.594 -14.867 1.00 0.00 N ATOM 1871 CA PRO A 120 12.209 -5.716 -15.401 1.00 0.00 C ATOM 1872 C PRO A 120 11.278 -6.324 -14.357 1.00 0.00 C ATOM 1873 O PRO A 120 10.132 -6.662 -14.655 1.00 0.00 O ATOM 1874 CB PRO A 120 13.282 -6.727 -15.814 1.00 0.00 C ATOM 1875 CG PRO A 120 14.454 -6.410 -14.950 1.00 0.00 C ATOM 1876 CD PRO A 120 14.416 -4.923 -14.730 1.00 0.00 C ATOM 0 HA PRO A 120 11.557 -5.408 -16.218 1.00 0.00 H new ATOM 0 HB2 PRO A 120 12.942 -7.751 -15.659 1.00 0.00 H new ATOM 0 HB3 PRO A 120 13.531 -6.630 -16.871 1.00 0.00 H new ATOM 0 HG2 PRO A 120 14.397 -6.946 -14.003 1.00 0.00 H new ATOM 0 HG3 PRO A 120 15.385 -6.710 -15.430 1.00 0.00 H new ATOM 0 HD2 PRO A 120 14.798 -4.653 -13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.023 -4.393 -15.464 1.00 0.00 H new ATOM 1884 N PHE A 121 11.777 -6.459 -13.133 1.00 0.00 N ATOM 1885 CA PHE A 121 10.989 -7.027 -12.045 1.00 0.00 C ATOM 1886 C PHE A 121 10.765 -5.997 -10.941 1.00 0.00 C ATOM 1887 O PHE A 121 11.706 -5.575 -10.269 1.00 0.00 O ATOM 1888 CB PHE A 121 11.688 -8.261 -11.472 1.00 0.00 C ATOM 1889 CG PHE A 121 11.709 -9.430 -12.415 1.00 0.00 C ATOM 1890 CD1 PHE A 121 12.618 -9.477 -13.460 1.00 0.00 C ATOM 1891 CD2 PHE A 121 10.820 -10.481 -12.257 1.00 0.00 C ATOM 1892 CE1 PHE A 121 12.641 -10.551 -14.330 1.00 0.00 C ATOM 1893 CE2 PHE A 121 10.839 -11.558 -13.124 1.00 0.00 C ATOM 1894 CZ PHE A 121 11.749 -11.592 -14.162 1.00 0.00 C ATOM 0 H PHE A 121 12.723 -6.183 -12.869 1.00 0.00 H new ATOM 0 HA PHE A 121 10.019 -7.321 -12.446 1.00 0.00 H new ATOM 0 HB2 PHE A 121 12.713 -7.999 -11.208 1.00 0.00 H new ATOM 0 HB3 PHE A 121 11.187 -8.557 -10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 121 13.317 -8.665 -13.596 1.00 0.00 H new ATOM 0 HD2 PHE A 121 10.105 -10.459 -11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 121 13.355 -10.576 -15.140 1.00 0.00 H new ATOM 0 HE2 PHE A 121 10.142 -12.372 -12.989 1.00 0.00 H new ATOM 0 HZ PHE A 121 11.763 -12.431 -14.841 1.00 0.00 H new ATOM 1904 N LYS A 122 9.511 -5.596 -10.761 1.00 0.00 N ATOM 1905 CA LYS A 122 9.160 -4.617 -9.739 1.00 0.00 C ATOM 1906 C LYS A 122 8.169 -5.204 -8.740 1.00 0.00 C ATOM 1907 O LYS A 122 7.213 -5.879 -9.122 1.00 0.00 O ATOM 1908 CB LYS A 122 8.566 -3.364 -10.387 1.00 0.00 C ATOM 1909 CG LYS A 122 8.159 -2.296 -9.386 1.00 0.00 C ATOM 1910 CD LYS A 122 7.097 -1.372 -9.958 1.00 0.00 C ATOM 1911 CE LYS A 122 5.698 -1.924 -9.732 1.00 0.00 C ATOM 1912 NZ LYS A 122 4.688 -0.837 -9.602 1.00 0.00 N ATOM 0 H LYS A 122 8.721 -5.934 -11.310 1.00 0.00 H new ATOM 0 HA LYS A 122 10.070 -4.346 -9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.295 -2.943 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 122 7.694 -3.648 -10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.781 -2.770 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.034 -1.713 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.181 -0.389 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.268 -1.237 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.426 -2.575 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.690 -2.537 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.747 -1.254 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.933 -0.230 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.677 -0.267 -10.472 1.00 0.00 H new ATOM 1926 N CYS A 123 8.402 -4.942 -7.458 1.00 0.00 N ATOM 1927 CA CYS A 123 7.530 -5.444 -6.403 1.00 0.00 C ATOM 1928 C CYS A 123 6.062 -5.300 -6.797 1.00 0.00 C ATOM 1929 O CYS A 123 5.573 -4.191 -7.009 1.00 0.00 O ATOM 1930 CB CYS A 123 7.794 -4.696 -5.095 1.00 0.00 C ATOM 1931 SG CYS A 123 6.877 -5.353 -3.665 1.00 0.00 S ATOM 0 H CYS A 123 9.188 -4.384 -7.125 1.00 0.00 H new ATOM 0 HA CYS A 123 7.748 -6.502 -6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.861 -4.733 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 123 7.532 -3.646 -5.230 1.00 0.00 H new ATOM 1936 N GLU A 124 5.367 -6.429 -6.892 1.00 0.00 N ATOM 1937 CA GLU A 124 3.956 -6.428 -7.261 1.00 0.00 C ATOM 1938 C GLU A 124 3.092 -5.939 -6.102 1.00 0.00 C ATOM 1939 O GLU A 124 1.878 -5.783 -6.241 1.00 0.00 O ATOM 1940 CB GLU A 124 3.516 -7.831 -7.683 1.00 0.00 C ATOM 1941 CG GLU A 124 4.625 -8.651 -8.320 1.00 0.00 C ATOM 1942 CD GLU A 124 4.096 -9.819 -9.129 1.00 0.00 C ATOM 1943 OE1 GLU A 124 3.723 -10.843 -8.518 1.00 0.00 O ATOM 1944 OE2 GLU A 124 4.055 -9.711 -10.372 1.00 0.00 O ATOM 0 H GLU A 124 5.757 -7.355 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 124 3.826 -5.746 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.139 -8.362 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.688 -7.747 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.222 -8.007 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.289 -9.025 -7.541 1.00 0.00 H new ATOM 1951 N PHE A 125 3.725 -5.699 -4.959 1.00 0.00 N ATOM 1952 CA PHE A 125 3.015 -5.229 -3.775 1.00 0.00 C ATOM 1953 C PHE A 125 2.579 -3.777 -3.943 1.00 0.00 C ATOM 1954 O PHE A 125 3.323 -2.952 -4.473 1.00 0.00 O ATOM 1955 CB PHE A 125 3.901 -5.367 -2.535 1.00 0.00 C ATOM 1956 CG PHE A 125 3.126 -5.594 -1.268 1.00 0.00 C ATOM 1957 CD1 PHE A 125 2.764 -6.874 -0.882 1.00 0.00 C ATOM 1958 CD2 PHE A 125 2.761 -4.527 -0.463 1.00 0.00 C ATOM 1959 CE1 PHE A 125 2.051 -7.086 0.283 1.00 0.00 C ATOM 1960 CE2 PHE A 125 2.048 -4.732 0.703 1.00 0.00 C ATOM 1961 CZ PHE A 125 1.694 -6.013 1.077 1.00 0.00 C ATOM 0 H PHE A 125 4.729 -5.822 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 125 2.125 -5.845 -3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 125 4.592 -6.197 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.504 -4.465 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.042 -7.716 -1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.037 -3.523 -0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.773 -8.089 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.768 -3.891 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.139 -6.176 1.989 1.00 0.00 H new ATOM 1971 N GLU A 126 1.367 -3.473 -3.489 1.00 0.00 N ATOM 1972 CA GLU A 126 0.831 -2.120 -3.591 1.00 0.00 C ATOM 1973 C GLU A 126 1.504 -1.191 -2.584 1.00 0.00 C ATOM 1974 O GLU A 126 2.019 -1.637 -1.560 1.00 0.00 O ATOM 1975 CB GLU A 126 -0.682 -2.129 -3.362 1.00 0.00 C ATOM 1976 CG GLU A 126 -1.274 -0.745 -3.157 1.00 0.00 C ATOM 1977 CD GLU A 126 -2.785 -0.771 -3.023 1.00 0.00 C ATOM 1978 OE1 GLU A 126 -3.369 -1.870 -3.117 1.00 0.00 O ATOM 1979 OE2 GLU A 126 -3.382 0.308 -2.824 1.00 0.00 O ATOM 0 H GLU A 126 0.738 -4.144 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 126 1.037 -1.749 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.168 -2.600 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.905 -2.744 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -0.841 -0.298 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.998 -0.108 -3.997 1.00 0.00 H new ATOM 1986 N GLY A 127 1.494 0.104 -2.885 1.00 0.00 N ATOM 1987 CA GLY A 127 2.106 1.076 -1.998 1.00 0.00 C ATOM 1988 C GLY A 127 3.570 0.781 -1.737 1.00 0.00 C ATOM 1989 O GLY A 127 4.171 1.344 -0.821 1.00 0.00 O ATOM 0 H GLY A 127 1.073 0.497 -3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 127 2.011 2.071 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 127 1.567 1.089 -1.051 1.00 0.00 H new ATOM 1993 N CYS A 128 4.147 -0.105 -2.542 1.00 0.00 N ATOM 1994 CA CYS A 128 5.549 -0.476 -2.393 1.00 0.00 C ATOM 1995 C CYS A 128 6.346 -0.096 -3.638 1.00 0.00 C ATOM 1996 O CYS A 128 5.881 -0.272 -4.764 1.00 0.00 O ATOM 1997 CB CYS A 128 5.676 -1.978 -2.131 1.00 0.00 C ATOM 1998 SG CYS A 128 7.137 -2.439 -1.146 1.00 0.00 S ATOM 0 H CYS A 128 3.665 -0.580 -3.305 1.00 0.00 H new ATOM 0 HA CYS A 128 5.956 0.070 -1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 128 4.780 -2.323 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 128 5.715 -2.501 -3.087 1.00 0.00 H new ATOM 2003 N ASP A 129 7.550 0.425 -3.426 1.00 0.00 N ATOM 2004 CA ASP A 129 8.414 0.828 -4.529 1.00 0.00 C ATOM 2005 C ASP A 129 9.773 0.143 -4.434 1.00 0.00 C ATOM 2006 O ASP A 129 10.596 0.490 -3.586 1.00 0.00 O ATOM 2007 CB ASP A 129 8.593 2.347 -4.536 1.00 0.00 C ATOM 2008 CG ASP A 129 8.767 2.915 -3.141 1.00 0.00 C ATOM 2009 OD1 ASP A 129 9.546 2.335 -2.357 1.00 0.00 O ATOM 2010 OD2 ASP A 129 8.122 3.940 -2.833 1.00 0.00 O ATOM 0 H ASP A 129 7.949 0.578 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 129 7.938 0.522 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.462 2.605 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.727 2.810 -5.008 1.00 0.00 H new ATOM 2015 N ARG A 130 10.002 -0.832 -5.307 1.00 0.00 N ATOM 2016 CA ARG A 130 11.260 -1.568 -5.319 1.00 0.00 C ATOM 2017 C ARG A 130 11.648 -1.958 -6.742 1.00 0.00 C ATOM 2018 O ARG A 130 10.888 -1.739 -7.686 1.00 0.00 O ATOM 2019 CB ARG A 130 11.152 -2.820 -4.447 1.00 0.00 C ATOM 2020 CG ARG A 130 10.787 -2.526 -3.002 1.00 0.00 C ATOM 2021 CD ARG A 130 11.918 -1.817 -2.274 1.00 0.00 C ATOM 2022 NE ARG A 130 13.131 -2.628 -2.226 1.00 0.00 N ATOM 2023 CZ ARG A 130 13.355 -3.563 -1.309 1.00 0.00 C ATOM 2024 NH1 ARG A 130 12.451 -3.803 -0.369 1.00 0.00 N ATOM 2025 NH2 ARG A 130 14.484 -4.259 -1.332 1.00 0.00 N ATOM 0 H ARG A 130 9.332 -1.131 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 130 12.036 -0.918 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 130 10.402 -3.486 -4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 130 12.103 -3.353 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 130 9.889 -1.908 -2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 130 10.550 -3.458 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 130 12.133 -0.872 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 130 11.602 -1.577 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 130 13.846 -2.468 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 130 11.582 -3.269 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 130 12.625 -4.521 0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 130 15.181 -4.077 -2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 130 14.655 -4.977 -0.628 1.00 0.00 H new ATOM 2039 N ARG A 131 12.836 -2.535 -6.889 1.00 0.00 N ATOM 2040 CA ARG A 131 13.326 -2.954 -8.197 1.00 0.00 C ATOM 2041 C ARG A 131 14.096 -4.267 -8.095 1.00 0.00 C ATOM 2042 O ARG A 131 14.813 -4.504 -7.122 1.00 0.00 O ATOM 2043 CB ARG A 131 14.222 -1.870 -8.800 1.00 0.00 C ATOM 2044 CG ARG A 131 15.691 -2.024 -8.440 1.00 0.00 C ATOM 2045 CD ARG A 131 16.451 -2.786 -9.513 1.00 0.00 C ATOM 2046 NE ARG A 131 17.895 -2.746 -9.295 1.00 0.00 N ATOM 2047 CZ ARG A 131 18.517 -3.454 -8.359 1.00 0.00 C ATOM 2048 NH1 ARG A 131 17.825 -4.254 -7.560 1.00 0.00 N ATOM 2049 NH2 ARG A 131 19.833 -3.363 -8.222 1.00 0.00 N ATOM 0 H ARG A 131 13.477 -2.723 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 131 12.465 -3.108 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 131 14.119 -1.887 -9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 131 13.874 -0.894 -8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 131 16.139 -1.039 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 131 15.780 -2.548 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 131 16.115 -3.823 -9.528 1.00 0.00 H new ATOM 0 HD3 ARG A 131 16.220 -2.362 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 131 18.456 -2.141 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 131 16.813 -4.327 -7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 131 18.305 -4.797 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 131 20.368 -2.749 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 131 20.310 -3.907 -7.503 1.00 0.00 H new ATOM 2063 N PHE A 132 13.942 -5.118 -9.104 1.00 0.00 N ATOM 2064 CA PHE A 132 14.621 -6.408 -9.127 1.00 0.00 C ATOM 2065 C PHE A 132 15.055 -6.769 -10.545 1.00 0.00 C ATOM 2066 O PHE A 132 14.533 -6.231 -11.521 1.00 0.00 O ATOM 2067 CB PHE A 132 13.707 -7.500 -8.567 1.00 0.00 C ATOM 2068 CG PHE A 132 13.142 -7.173 -7.214 1.00 0.00 C ATOM 2069 CD1 PHE A 132 13.920 -7.302 -6.075 1.00 0.00 C ATOM 2070 CD2 PHE A 132 11.834 -6.738 -7.082 1.00 0.00 C ATOM 2071 CE1 PHE A 132 13.404 -7.002 -4.828 1.00 0.00 C ATOM 2072 CE2 PHE A 132 11.312 -6.436 -5.838 1.00 0.00 C ATOM 2073 CZ PHE A 132 12.098 -6.569 -4.710 1.00 0.00 C ATOM 0 H PHE A 132 13.353 -4.937 -9.917 1.00 0.00 H new ATOM 0 HA PHE A 132 15.511 -6.333 -8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 132 12.886 -7.668 -9.264 1.00 0.00 H new ATOM 0 HB3 PHE A 132 14.266 -8.433 -8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 132 14.942 -7.641 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 132 11.215 -6.633 -7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 132 14.021 -7.106 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 132 10.291 -6.096 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 132 11.692 -6.335 -3.737 1.00 0.00 H new ATOM 2083 N ALA A 133 16.013 -7.684 -10.649 1.00 0.00 N ATOM 2084 CA ALA A 133 16.516 -8.119 -11.946 1.00 0.00 C ATOM 2085 C ALA A 133 16.112 -9.560 -12.236 1.00 0.00 C ATOM 2086 O ALA A 133 16.108 -9.994 -13.388 1.00 0.00 O ATOM 2087 CB ALA A 133 18.029 -7.971 -12.002 1.00 0.00 C ATOM 0 H ALA A 133 16.456 -8.138 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 133 16.072 -7.484 -12.712 1.00 0.00 H new ATOM 0 HB1 ALA A 133 18.391 -8.300 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 133 18.298 -6.926 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 133 18.483 -8.581 -11.221 1.00 0.00 H new ATOM 2093 N ASN A 134 15.774 -10.298 -11.184 1.00 0.00 N ATOM 2094 CA ASN A 134 15.370 -11.692 -11.327 1.00 0.00 C ATOM 2095 C ASN A 134 14.051 -11.953 -10.605 1.00 0.00 C ATOM 2096 O ASN A 134 13.733 -11.295 -9.614 1.00 0.00 O ATOM 2097 CB ASN A 134 16.456 -12.619 -10.777 1.00 0.00 C ATOM 2098 CG ASN A 134 17.136 -12.047 -9.548 1.00 0.00 C ATOM 2099 OD1 ASN A 134 17.111 -12.649 -8.474 1.00 0.00 O ATOM 2100 ND2 ASN A 134 17.750 -10.879 -9.701 1.00 0.00 N ATOM 0 H ASN A 134 15.772 -9.954 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 134 15.230 -11.896 -12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 134 16.015 -13.584 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 134 17.202 -12.799 -11.551 1.00 0.00 H new ATOM 0 HD21 ASN A 134 18.226 -10.446 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 134 17.745 -10.416 -10.610 1.00 0.00 H new ATOM 2107 N SER A 135 13.288 -12.918 -11.108 1.00 0.00 N ATOM 2108 CA SER A 135 12.002 -13.263 -10.514 1.00 0.00 C ATOM 2109 C SER A 135 12.147 -13.520 -9.017 1.00 0.00 C ATOM 2110 O SER A 135 11.387 -12.987 -8.208 1.00 0.00 O ATOM 2111 CB SER A 135 11.415 -14.498 -11.200 1.00 0.00 C ATOM 2112 OG SER A 135 12.384 -15.526 -11.318 1.00 0.00 O ATOM 0 H SER A 135 13.538 -13.475 -11.925 1.00 0.00 H new ATOM 0 HA SER A 135 11.325 -12.420 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 135 10.561 -14.863 -10.630 1.00 0.00 H new ATOM 0 HB3 SER A 135 11.046 -14.227 -12.189 1.00 0.00 H new ATOM 0 HG SER A 135 11.983 -16.304 -11.758 1.00 0.00 H new ATOM 2118 N SER A 136 13.128 -14.341 -8.656 1.00 0.00 N ATOM 2119 CA SER A 136 13.372 -14.672 -7.257 1.00 0.00 C ATOM 2120 C SER A 136 13.589 -13.409 -6.429 1.00 0.00 C ATOM 2121 O SER A 136 12.898 -13.177 -5.437 1.00 0.00 O ATOM 2122 CB SER A 136 14.588 -15.592 -7.133 1.00 0.00 C ATOM 2123 OG SER A 136 15.689 -15.083 -7.865 1.00 0.00 O ATOM 0 H SER A 136 13.767 -14.789 -9.313 1.00 0.00 H new ATOM 0 HA SER A 136 12.493 -15.190 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 136 14.863 -15.698 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 136 14.334 -16.587 -7.498 1.00 0.00 H new ATOM 0 HG SER A 136 16.454 -15.688 -7.768 1.00 0.00 H new ATOM 2129 N ASP A 137 14.554 -12.596 -6.845 1.00 0.00 N ATOM 2130 CA ASP A 137 14.863 -11.355 -6.144 1.00 0.00 C ATOM 2131 C ASP A 137 13.587 -10.595 -5.795 1.00 0.00 C ATOM 2132 O ASP A 137 13.544 -9.852 -4.814 1.00 0.00 O ATOM 2133 CB ASP A 137 15.777 -10.476 -6.998 1.00 0.00 C ATOM 2134 CG ASP A 137 17.247 -10.754 -6.749 1.00 0.00 C ATOM 2135 OD1 ASP A 137 17.566 -11.853 -6.250 1.00 0.00 O ATOM 2136 OD2 ASP A 137 18.077 -9.873 -7.055 1.00 0.00 O ATOM 0 H ASP A 137 15.136 -12.774 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 137 15.378 -11.609 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 137 15.553 -10.640 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 137 15.568 -9.427 -6.787 1.00 0.00 H new ATOM 2141 N ARG A 138 12.550 -10.787 -6.604 1.00 0.00 N ATOM 2142 CA ARG A 138 11.274 -10.118 -6.382 1.00 0.00 C ATOM 2143 C ARG A 138 10.436 -10.874 -5.355 1.00 0.00 C ATOM 2144 O ARG A 138 9.977 -10.299 -4.367 1.00 0.00 O ATOM 2145 CB ARG A 138 10.502 -9.998 -7.697 1.00 0.00 C ATOM 2146 CG ARG A 138 8.994 -9.941 -7.515 1.00 0.00 C ATOM 2147 CD ARG A 138 8.322 -9.199 -8.660 1.00 0.00 C ATOM 2148 NE ARG A 138 8.251 -10.012 -9.871 1.00 0.00 N ATOM 2149 CZ ARG A 138 7.715 -9.588 -11.010 1.00 0.00 C ATOM 2150 NH1 ARG A 138 7.207 -8.366 -11.093 1.00 0.00 N ATOM 2151 NH2 ARG A 138 7.688 -10.386 -12.070 1.00 0.00 N ATOM 0 H ARG A 138 12.569 -11.400 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 138 11.478 -9.119 -5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.830 -9.100 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.751 -10.847 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 138 8.595 -10.954 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 138 8.759 -9.447 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 138 7.316 -8.905 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.872 -8.282 -8.871 1.00 0.00 H new ATOM 0 HE ARG A 138 8.634 -10.957 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.227 -7.749 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 138 6.796 -8.043 -11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.079 -11.326 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.276 -10.059 -12.944 1.00 0.00 H new ATOM 2165 N LYS A 139 10.239 -12.166 -5.594 1.00 0.00 N ATOM 2166 CA LYS A 139 9.457 -13.002 -4.691 1.00 0.00 C ATOM 2167 C LYS A 139 10.165 -13.162 -3.349 1.00 0.00 C ATOM 2168 O LYS A 139 9.562 -13.591 -2.365 1.00 0.00 O ATOM 2169 CB LYS A 139 9.212 -14.376 -5.318 1.00 0.00 C ATOM 2170 CG LYS A 139 10.263 -15.409 -4.950 1.00 0.00 C ATOM 2171 CD LYS A 139 9.988 -16.746 -5.616 1.00 0.00 C ATOM 2172 CE LYS A 139 10.013 -16.629 -7.133 1.00 0.00 C ATOM 2173 NZ LYS A 139 10.481 -17.886 -7.779 1.00 0.00 N ATOM 0 H LYS A 139 10.611 -12.658 -6.407 1.00 0.00 H new ATOM 0 HA LYS A 139 8.498 -12.512 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 139 8.233 -14.739 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 139 9.182 -14.271 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.248 -15.049 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 139 10.284 -15.538 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 139 10.732 -17.474 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 139 9.016 -17.121 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 139 9.014 -16.385 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.667 -15.807 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 10.484 -17.765 -8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 11.444 -18.106 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 9.843 -18.666 -7.523 1.00 0.00 H new ATOM 2187 N LYS A 140 11.447 -12.814 -3.316 1.00 0.00 N ATOM 2188 CA LYS A 140 12.237 -12.917 -2.095 1.00 0.00 C ATOM 2189 C LYS A 140 11.950 -11.745 -1.161 1.00 0.00 C ATOM 2190 O LYS A 140 12.197 -11.822 0.043 1.00 0.00 O ATOM 2191 CB LYS A 140 13.729 -12.962 -2.430 1.00 0.00 C ATOM 2192 CG LYS A 140 14.243 -14.359 -2.732 1.00 0.00 C ATOM 2193 CD LYS A 140 15.490 -14.319 -3.599 1.00 0.00 C ATOM 2194 CE LYS A 140 16.753 -14.245 -2.756 1.00 0.00 C ATOM 2195 NZ LYS A 140 17.983 -14.302 -3.593 1.00 0.00 N ATOM 0 H LYS A 140 11.961 -12.458 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 140 11.957 -13.840 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 140 13.919 -12.320 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 140 14.293 -12.549 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 140 14.464 -14.876 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 140 13.466 -14.932 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 140 15.524 -15.207 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 140 15.444 -13.457 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 140 16.750 -13.321 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 140 16.761 -15.068 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 18.822 -14.249 -2.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 17.999 -15.195 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 17.988 -13.502 -4.258 1.00 0.00 H new ATOM 2209 N HIS A 141 11.425 -10.661 -1.724 1.00 0.00 N ATOM 2210 CA HIS A 141 11.103 -9.473 -0.941 1.00 0.00 C ATOM 2211 C HIS A 141 9.689 -9.564 -0.374 1.00 0.00 C ATOM 2212 O HIS A 141 9.229 -8.657 0.319 1.00 0.00 O ATOM 2213 CB HIS A 141 11.241 -8.217 -1.801 1.00 0.00 C ATOM 2214 CG HIS A 141 10.524 -7.026 -1.241 1.00 0.00 C ATOM 2215 ND1 HIS A 141 11.081 -6.185 -0.302 1.00 0.00 N ATOM 2216 CD2 HIS A 141 9.287 -6.538 -1.495 1.00 0.00 C ATOM 2217 CE1 HIS A 141 10.218 -5.231 -0.001 1.00 0.00 C ATOM 2218 NE2 HIS A 141 9.122 -5.422 -0.712 1.00 0.00 N ATOM 0 H HIS A 141 11.214 -10.581 -2.719 1.00 0.00 H new ATOM 0 HA HIS A 141 11.806 -9.413 -0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 141 12.298 -7.976 -1.911 1.00 0.00 H new ATOM 0 HB3 HIS A 141 10.857 -8.426 -2.799 1.00 0.00 H new ATOM 0 HD1 HIS A 141 12.014 -6.284 0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 141 8.565 -6.950 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 141 10.381 -4.431 0.706 1.00 0.00 H new ATOM 2226 N MET A 142 9.006 -10.663 -0.674 1.00 0.00 N ATOM 2227 CA MET A 142 7.645 -10.872 -0.193 1.00 0.00 C ATOM 2228 C MET A 142 7.649 -11.513 1.191 1.00 0.00 C ATOM 2229 O MET A 142 6.682 -11.395 1.943 1.00 0.00 O ATOM 2230 CB MET A 142 6.864 -11.750 -1.173 1.00 0.00 C ATOM 2231 CG MET A 142 7.138 -11.424 -2.632 1.00 0.00 C ATOM 2232 SD MET A 142 6.036 -10.150 -3.277 1.00 0.00 S ATOM 2233 CE MET A 142 7.057 -8.691 -3.085 1.00 0.00 C ATOM 0 H MET A 142 9.372 -11.423 -1.248 1.00 0.00 H new ATOM 0 HA MET A 142 7.159 -9.899 -0.121 1.00 0.00 H new ATOM 0 HB2 MET A 142 7.113 -12.795 -0.990 1.00 0.00 H new ATOM 0 HB3 MET A 142 5.797 -11.638 -0.978 1.00 0.00 H new ATOM 0 HG2 MET A 142 8.171 -11.093 -2.739 1.00 0.00 H new ATOM 0 HG3 MET A 142 7.030 -12.329 -3.229 1.00 0.00 H new ATOM 0 HE1 MET A 142 6.442 -7.859 -2.743 1.00 0.00 H new ATOM 0 HE2 MET A 142 7.840 -8.888 -2.352 1.00 0.00 H new ATOM 0 HE3 MET A 142 7.512 -8.437 -4.042 1.00 0.00 H new ATOM 2243 N HIS A 143 8.743 -12.192 1.520 1.00 0.00 N ATOM 2244 CA HIS A 143 8.873 -12.852 2.815 1.00 0.00 C ATOM 2245 C HIS A 143 8.594 -11.875 3.953 1.00 0.00 C ATOM 2246 O HIS A 143 8.285 -12.282 5.073 1.00 0.00 O ATOM 2247 CB HIS A 143 10.273 -13.447 2.970 1.00 0.00 C ATOM 2248 CG HIS A 143 10.426 -14.792 2.328 1.00 0.00 C ATOM 2249 ND1 HIS A 143 9.897 -15.946 2.866 1.00 0.00 N ATOM 2250 CD2 HIS A 143 11.052 -15.162 1.187 1.00 0.00 C ATOM 2251 CE1 HIS A 143 10.193 -16.969 2.083 1.00 0.00 C ATOM 2252 NE2 HIS A 143 10.893 -16.520 1.057 1.00 0.00 N ATOM 0 H HIS A 143 9.552 -12.300 0.908 1.00 0.00 H new ATOM 0 HA HIS A 143 8.138 -13.656 2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 143 11.001 -12.761 2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 143 10.508 -13.531 4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 143 11.579 -14.511 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 143 9.910 -17.997 2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 143 11.256 -17.089 0.293 1.00 0.00 H new ATOM 2260 N VAL A 144 8.706 -10.583 3.659 1.00 0.00 N ATOM 2261 CA VAL A 144 8.465 -9.548 4.657 1.00 0.00 C ATOM 2262 C VAL A 144 7.074 -8.945 4.499 1.00 0.00 C ATOM 2263 O VAL A 144 6.566 -8.283 5.405 1.00 0.00 O ATOM 2264 CB VAL A 144 9.514 -8.424 4.563 1.00 0.00 C ATOM 2265 CG1 VAL A 144 10.091 -8.347 3.158 1.00 0.00 C ATOM 2266 CG2 VAL A 144 8.904 -7.091 4.971 1.00 0.00 C ATOM 0 H VAL A 144 8.962 -10.229 2.737 1.00 0.00 H new ATOM 0 HA VAL A 144 8.541 -10.026 5.634 1.00 0.00 H new ATOM 0 HB VAL A 144 10.328 -8.652 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 144 10.830 -7.547 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 144 10.566 -9.295 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 144 9.291 -8.143 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 144 9.659 -6.308 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 144 8.071 -6.854 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 144 8.544 -7.155 5.998 1.00 0.00 H new ATOM 2276 N HIS A 145 6.461 -9.178 3.343 1.00 0.00 N ATOM 2277 CA HIS A 145 5.127 -8.659 3.066 1.00 0.00 C ATOM 2278 C HIS A 145 4.062 -9.496 3.768 1.00 0.00 C ATOM 2279 O HIS A 145 2.883 -9.139 3.777 1.00 0.00 O ATOM 2280 CB HIS A 145 4.867 -8.640 1.559 1.00 0.00 C ATOM 2281 CG HIS A 145 5.276 -7.361 0.897 1.00 0.00 C ATOM 2282 ND1 HIS A 145 4.775 -6.129 1.263 1.00 0.00 N ATOM 2283 CD2 HIS A 145 6.146 -7.126 -0.113 1.00 0.00 C ATOM 2284 CE1 HIS A 145 5.318 -5.193 0.506 1.00 0.00 C ATOM 2285 NE2 HIS A 145 6.154 -5.771 -0.338 1.00 0.00 N ATOM 0 H HIS A 145 6.867 -9.723 2.583 1.00 0.00 H new ATOM 0 HA HIS A 145 5.073 -7.640 3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 145 5.404 -9.467 1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 145 3.805 -8.809 1.380 1.00 0.00 H new ATOM 0 HD1 HIS A 145 4.092 -5.966 2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 145 6.726 -7.866 -0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 145 5.113 -4.134 0.567 1.00 0.00 H new ATOM 2293 N THR A 146 4.484 -10.611 4.355 1.00 0.00 N ATOM 2294 CA THR A 146 3.567 -11.500 5.057 1.00 0.00 C ATOM 2295 C THR A 146 2.580 -10.710 5.909 1.00 0.00 C ATOM 2296 O THR A 146 1.484 -11.184 6.207 1.00 0.00 O ATOM 2297 CB THR A 146 4.325 -12.492 5.958 1.00 0.00 C ATOM 2298 OG1 THR A 146 5.481 -11.860 6.519 1.00 0.00 O ATOM 2299 CG2 THR A 146 4.746 -13.724 5.171 1.00 0.00 C ATOM 0 H THR A 146 5.456 -10.920 4.358 1.00 0.00 H new ATOM 0 HA THR A 146 3.022 -12.057 4.295 1.00 0.00 H new ATOM 0 HB THR A 146 3.657 -12.804 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 146 6.265 -12.063 5.967 1.00 0.00 H new ATOM 0 HG21 THR A 146 5.280 -14.411 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 146 3.862 -14.219 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 146 5.399 -13.426 4.350 1.00 0.00 H new ATOM 2307 N SER A 147 2.976 -9.501 6.297 1.00 0.00 N ATOM 2308 CA SER A 147 2.126 -8.646 7.118 1.00 0.00 C ATOM 2309 C SER A 147 1.617 -7.454 6.313 1.00 0.00 C ATOM 2310 O SER A 147 2.017 -7.248 5.167 1.00 0.00 O ATOM 2311 CB SER A 147 2.896 -8.155 8.346 1.00 0.00 C ATOM 2312 OG SER A 147 3.476 -9.239 9.051 1.00 0.00 O ATOM 0 H SER A 147 3.879 -9.092 6.056 1.00 0.00 H new ATOM 0 HA SER A 147 1.269 -9.234 7.446 1.00 0.00 H new ATOM 0 HB2 SER A 147 3.676 -7.460 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 147 2.224 -7.606 9.005 1.00 0.00 H new ATOM 0 HG SER A 147 3.964 -8.899 9.830 1.00 0.00 H new ATOM 2318 N ASP A 148 0.731 -6.673 6.922 1.00 0.00 N ATOM 2319 CA ASP A 148 0.167 -5.500 6.264 1.00 0.00 C ATOM 2320 C ASP A 148 0.369 -4.250 7.114 1.00 0.00 C ATOM 2321 O ASP A 148 0.313 -4.306 8.343 1.00 0.00 O ATOM 2322 CB ASP A 148 -1.324 -5.711 5.991 1.00 0.00 C ATOM 2323 CG ASP A 148 -1.849 -4.790 4.907 1.00 0.00 C ATOM 2324 OD1 ASP A 148 -1.542 -3.581 4.956 1.00 0.00 O ATOM 2325 OD2 ASP A 148 -2.568 -5.279 4.010 1.00 0.00 O ATOM 0 H ASP A 148 0.388 -6.831 7.870 1.00 0.00 H new ATOM 0 HA ASP A 148 0.687 -5.360 5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -1.494 -6.747 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -1.886 -5.544 6.910 1.00 0.00 H new ATOM 2330 N LYS A 149 0.605 -3.123 6.452 1.00 0.00 N ATOM 2331 CA LYS A 149 0.816 -1.857 7.146 1.00 0.00 C ATOM 2332 C LYS A 149 -0.328 -0.888 6.869 1.00 0.00 C ATOM 2333 O LYS A 149 -0.506 -0.428 5.741 1.00 0.00 O ATOM 2334 CB LYS A 149 2.144 -1.231 6.715 1.00 0.00 C ATOM 2335 CG LYS A 149 2.540 -0.018 7.538 1.00 0.00 C ATOM 2336 CD LYS A 149 3.766 0.671 6.962 1.00 0.00 C ATOM 2337 CE LYS A 149 3.382 1.725 5.934 1.00 0.00 C ATOM 2338 NZ LYS A 149 4.453 2.743 5.756 1.00 0.00 N ATOM 0 H LYS A 149 0.655 -3.060 5.435 1.00 0.00 H new ATOM 0 HA LYS A 149 0.847 -2.059 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 149 2.931 -1.982 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 149 2.076 -0.942 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.709 0.686 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 149 2.742 -0.324 8.564 1.00 0.00 H new ATOM 0 HD2 LYS A 149 4.335 1.137 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 149 4.417 -0.070 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 149 3.177 1.242 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 149 2.461 2.218 6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 4.153 3.443 5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 4.631 3.222 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 5.325 2.277 5.434 1.00 0.00 H new ATOM 2352 N SER A 150 -1.101 -0.580 7.906 1.00 0.00 N ATOM 2353 CA SER A 150 -2.230 0.333 7.773 1.00 0.00 C ATOM 2354 C SER A 150 -1.861 1.530 6.902 1.00 0.00 C ATOM 2355 O SER A 150 -0.745 2.043 6.971 1.00 0.00 O ATOM 2356 CB SER A 150 -2.689 0.814 9.151 1.00 0.00 C ATOM 2357 OG SER A 150 -3.990 1.371 9.090 1.00 0.00 O ATOM 0 H SER A 150 -0.966 -0.949 8.847 1.00 0.00 H new ATOM 0 HA SER A 150 -3.047 -0.206 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 150 -2.680 -0.020 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 150 -1.989 1.558 9.532 1.00 0.00 H new ATOM 0 HG SER A 150 -4.260 1.669 9.984 1.00 0.00 H new ATOM 2363 N GLY A 151 -2.809 1.970 6.080 1.00 0.00 N ATOM 2364 CA GLY A 151 -2.566 3.103 5.205 1.00 0.00 C ATOM 2365 C GLY A 151 -3.848 3.706 4.667 1.00 0.00 C ATOM 2366 O GLY A 151 -4.426 4.617 5.259 1.00 0.00 O ATOM 0 H GLY A 151 -3.741 1.562 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -2.010 3.866 5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -1.939 2.786 4.371 1.00 0.00 H new ATOM 2370 N PRO A 152 -4.311 3.194 3.517 1.00 0.00 N ATOM 2371 CA PRO A 152 -5.537 3.674 2.874 1.00 0.00 C ATOM 2372 C PRO A 152 -6.789 3.298 3.659 1.00 0.00 C ATOM 2373 O PRO A 152 -6.705 2.838 4.797 1.00 0.00 O ATOM 2374 CB PRO A 152 -5.525 2.968 1.516 1.00 0.00 C ATOM 2375 CG PRO A 152 -4.713 1.738 1.736 1.00 0.00 C ATOM 2376 CD PRO A 152 -3.672 2.106 2.757 1.00 0.00 C ATOM 0 HA PRO A 152 -5.562 4.761 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.535 2.722 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.085 3.600 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -5.336 0.918 2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -4.249 1.406 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.421 1.261 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -2.746 2.435 2.286 1.00 0.00 H new ATOM 2384 N SER A 153 -7.950 3.496 3.042 1.00 0.00 N ATOM 2385 CA SER A 153 -9.220 3.181 3.685 1.00 0.00 C ATOM 2386 C SER A 153 -10.142 2.432 2.728 1.00 0.00 C ATOM 2387 O SER A 153 -10.119 2.661 1.519 1.00 0.00 O ATOM 2388 CB SER A 153 -9.902 4.462 4.171 1.00 0.00 C ATOM 2389 OG SER A 153 -11.190 4.187 4.694 1.00 0.00 O ATOM 0 H SER A 153 -8.037 3.873 2.098 1.00 0.00 H new ATOM 0 HA SER A 153 -9.016 2.539 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 153 -9.289 4.936 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 153 -9.985 5.169 3.346 1.00 0.00 H new ATOM 0 HG SER A 153 -11.604 5.021 4.999 1.00 0.00 H new ATOM 2395 N SER A 154 -10.954 1.535 3.279 1.00 0.00 N ATOM 2396 CA SER A 154 -11.882 0.748 2.475 1.00 0.00 C ATOM 2397 C SER A 154 -13.270 1.382 2.471 1.00 0.00 C ATOM 2398 O SER A 154 -14.039 1.226 3.419 1.00 0.00 O ATOM 2399 CB SER A 154 -11.965 -0.684 3.008 1.00 0.00 C ATOM 2400 OG SER A 154 -11.922 -0.704 4.424 1.00 0.00 O ATOM 0 H SER A 154 -10.988 1.335 4.279 1.00 0.00 H new ATOM 0 HA SER A 154 -11.508 0.726 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 154 -12.887 -1.151 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 154 -11.140 -1.273 2.608 1.00 0.00 H new ATOM 0 HG SER A 154 -12.602 -0.095 4.781 1.00 0.00 H new ATOM 2406 N GLY A 155 -13.583 2.099 1.396 1.00 0.00 N ATOM 2407 CA GLY A 155 -14.877 2.747 1.288 1.00 0.00 C ATOM 2408 C GLY A 155 -15.894 1.891 0.559 1.00 0.00 C ATOM 2409 O GLY A 155 -16.705 2.433 -0.191 1.00 0.00 O ATOM 0 H GLY A 155 -12.964 2.243 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -15.249 2.977 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.762 3.696 0.764 1.00 0.00 H new TER 2413 GLY A 155 HETATM 2414 ZN ZN A 201 -9.199 18.094 -20.789 1.00 0.00 ZN HETATM 2415 ZN ZN A 401 1.858 18.415 -18.965 1.00 0.00 ZN HETATM 2416 ZN ZN A 601 13.786 0.865 -21.547 1.00 0.00 ZN HETATM 2417 ZN ZN A 801 7.414 -4.693 -1.600 1.00 0.00 ZN