USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot 130:sc= 0.353 USER MOD Set 1.2: A 38 ASN : amide:sc= -0.574 X(o=-0.22,f=-0.23) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.034) USER MOD Single : A 10 ASN : amide:sc= -0.215 X(o=-0.22,f=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.3!) USER MOD Single : A 14 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.53) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.01 K(o=-1,f=-0.45) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 22 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.09) USER MOD Single : A 27 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.11) USER MOD Single : A 29 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 0.976 (180deg=0.19) USER MOD Single : A 33 SER OG : rot 180:sc= -0.452 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0417) USER MOD Single : A 37 SER OG : rot -49:sc= 1.02 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 60:sc= 0.0436 USER MOD Single : A 48 MET CE :methyl -133:sc= -2.92! (180deg=-4.58!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0919 X(o=-0.092,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.0094) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0374) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= -1.34 (180deg=-2.97!) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.291) USER MOD Single : A 85 GLN : amide:sc= -1.95 K(o=-2,f=-2.6) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.00078) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.594 -1.287 -30.419 1.00 0.00 N ATOM 2 CA GLY A 1 -10.011 -0.556 -29.191 1.00 0.00 C ATOM 3 C GLY A 1 -10.168 -1.480 -27.995 1.00 0.00 C ATOM 4 O GLY A 1 -9.286 -2.294 -27.721 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.500 -0.616 -31.208 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.680 -1.754 -30.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.310 -2.003 -30.657 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.273 0.212 -28.960 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.955 -0.044 -29.378 1.00 0.00 H new ATOM 10 N PRO A 2 -11.287 -1.381 -27.255 1.00 0.00 N ATOM 11 CA PRO A 2 -11.532 -2.228 -26.083 1.00 0.00 C ATOM 12 C PRO A 2 -11.433 -3.713 -26.413 1.00 0.00 C ATOM 13 O PRO A 2 -11.939 -4.166 -27.440 1.00 0.00 O ATOM 14 CB PRO A 2 -12.961 -1.868 -25.670 1.00 0.00 C ATOM 15 CG PRO A 2 -13.188 -0.504 -26.222 1.00 0.00 C ATOM 16 CD PRO A 2 -12.397 -0.442 -27.498 1.00 0.00 C ATOM 0 HA PRO A 2 -10.794 -2.058 -25.299 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.680 -2.582 -26.072 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.073 -1.879 -24.586 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.247 -0.329 -26.410 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.858 0.262 -25.520 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.996 -0.742 -28.358 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.034 0.566 -27.698 1.00 0.00 H new ATOM 24 N LEU A 3 -10.779 -4.466 -25.536 1.00 0.00 N ATOM 25 CA LEU A 3 -10.616 -5.901 -25.735 1.00 0.00 C ATOM 26 C LEU A 3 -11.844 -6.662 -25.246 1.00 0.00 C ATOM 27 O LEU A 3 -12.013 -6.886 -24.048 1.00 0.00 O ATOM 28 CB LEU A 3 -9.366 -6.399 -25.004 1.00 0.00 C ATOM 29 CG LEU A 3 -8.457 -7.317 -25.826 1.00 0.00 C ATOM 30 CD1 LEU A 3 -6.998 -7.078 -25.471 1.00 0.00 C ATOM 31 CD2 LEU A 3 -8.828 -8.775 -25.602 1.00 0.00 C ATOM 0 H LEU A 3 -10.354 -4.107 -24.681 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.501 -6.084 -26.803 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.786 -5.536 -24.678 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.677 -6.931 -24.105 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.597 -7.085 -26.882 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.366 -7.739 -26.065 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.737 -6.041 -25.682 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.843 -7.283 -24.412 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.172 -9.413 -26.194 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.717 -9.021 -24.546 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.862 -8.938 -25.905 1.00 0.00 H new ATOM 43 N GLY A 4 -12.699 -7.058 -26.184 1.00 0.00 N ATOM 44 CA GLY A 4 -13.900 -7.791 -25.830 1.00 0.00 C ATOM 45 C GLY A 4 -13.722 -9.291 -25.957 1.00 0.00 C ATOM 46 O GLY A 4 -12.922 -9.760 -26.765 1.00 0.00 O ATOM 0 H GLY A 4 -12.581 -6.884 -27.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.182 -7.547 -24.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.720 -7.470 -26.472 1.00 0.00 H new ATOM 50 N SER A 5 -14.466 -10.043 -25.156 1.00 0.00 N ATOM 51 CA SER A 5 -14.385 -11.499 -25.181 1.00 0.00 C ATOM 52 C SER A 5 -15.129 -12.068 -26.388 1.00 0.00 C ATOM 53 O SER A 5 -16.034 -11.432 -26.926 1.00 0.00 O ATOM 54 CB SER A 5 -14.963 -12.084 -23.891 1.00 0.00 C ATOM 55 OG SER A 5 -14.015 -12.036 -22.837 1.00 0.00 O ATOM 0 H SER A 5 -15.133 -9.669 -24.481 1.00 0.00 H new ATOM 0 HA SER A 5 -13.334 -11.777 -25.261 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.857 -11.529 -23.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.269 -13.116 -24.062 1.00 0.00 H new ATOM 0 HG SER A 5 -14.410 -12.414 -22.024 1.00 0.00 H new ATOM 61 N PRO A 6 -14.751 -13.281 -26.830 1.00 0.00 N ATOM 62 CA PRO A 6 -15.386 -13.932 -27.979 1.00 0.00 C ATOM 63 C PRO A 6 -16.800 -14.419 -27.667 1.00 0.00 C ATOM 64 O PRO A 6 -17.753 -14.078 -28.369 1.00 0.00 O ATOM 65 CB PRO A 6 -14.463 -15.116 -28.279 1.00 0.00 C ATOM 66 CG PRO A 6 -13.771 -15.409 -26.990 1.00 0.00 C ATOM 67 CD PRO A 6 -13.675 -14.103 -26.246 1.00 0.00 C ATOM 0 HA PRO A 6 -15.503 -13.246 -28.818 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -15.030 -15.979 -28.626 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.747 -14.869 -29.063 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.328 -16.145 -26.410 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.780 -15.827 -27.168 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.816 -14.243 -25.174 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.699 -13.637 -26.381 1.00 0.00 H new ATOM 75 N ARG A 7 -16.930 -15.217 -26.612 1.00 0.00 N ATOM 76 CA ARG A 7 -18.228 -15.750 -26.207 1.00 0.00 C ATOM 77 C ARG A 7 -18.861 -14.873 -25.131 1.00 0.00 C ATOM 78 O ARG A 7 -18.231 -14.565 -24.119 1.00 0.00 O ATOM 79 CB ARG A 7 -18.077 -17.187 -25.698 1.00 0.00 C ATOM 80 CG ARG A 7 -18.977 -18.185 -26.409 1.00 0.00 C ATOM 81 CD ARG A 7 -19.084 -19.494 -25.640 1.00 0.00 C ATOM 82 NE ARG A 7 -18.607 -20.631 -26.423 1.00 0.00 N ATOM 83 CZ ARG A 7 -19.329 -21.239 -27.362 1.00 0.00 C ATOM 84 NH1 ARG A 7 -20.557 -20.819 -27.638 1.00 0.00 N ATOM 85 NH2 ARG A 7 -18.823 -22.268 -28.027 1.00 0.00 N ATOM 0 H ARG A 7 -16.152 -15.510 -26.021 1.00 0.00 H new ATOM 0 HA ARG A 7 -18.884 -15.752 -27.078 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.039 -17.498 -25.817 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -18.296 -17.210 -24.630 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -19.970 -17.754 -26.534 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -18.586 -18.380 -27.408 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.506 -19.421 -24.718 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.122 -19.662 -25.353 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.666 -20.979 -26.240 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.951 -20.027 -27.130 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.107 -21.288 -28.358 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -17.879 -22.595 -27.820 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.377 -22.733 -28.746 1.00 0.00 H new ATOM 99 N ASN A 8 -20.108 -14.470 -25.355 1.00 0.00 N ATOM 100 CA ASN A 8 -20.822 -13.626 -24.403 1.00 0.00 C ATOM 101 C ASN A 8 -21.445 -14.462 -23.290 1.00 0.00 C ATOM 102 O ASN A 8 -22.396 -15.209 -23.519 1.00 0.00 O ATOM 103 CB ASN A 8 -21.907 -12.821 -25.120 1.00 0.00 C ATOM 104 CG ASN A 8 -21.392 -11.492 -25.638 1.00 0.00 C ATOM 105 OD1 ASN A 8 -21.505 -11.189 -26.827 1.00 0.00 O ATOM 106 ND2 ASN A 8 -20.824 -10.689 -24.746 1.00 0.00 N ATOM 0 H ASN A 8 -20.645 -14.714 -26.187 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.103 -12.940 -23.955 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.299 -13.405 -25.952 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -22.737 -12.644 -24.436 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.460 -9.781 -25.036 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.751 -10.980 -23.771 1.00 0.00 H new ATOM 113 N ALA A 9 -20.903 -14.327 -22.085 1.00 0.00 N ATOM 114 CA ALA A 9 -21.404 -15.067 -20.934 1.00 0.00 C ATOM 115 C ALA A 9 -22.586 -14.346 -20.293 1.00 0.00 C ATOM 116 O ALA A 9 -22.712 -13.126 -20.397 1.00 0.00 O ATOM 117 CB ALA A 9 -20.289 -15.273 -19.918 1.00 0.00 C ATOM 0 H ALA A 9 -20.116 -13.711 -21.880 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.752 -16.041 -21.277 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.674 -15.827 -19.062 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.477 -15.835 -20.378 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.916 -14.304 -19.585 1.00 0.00 H new ATOM 123 N ASN A 10 -23.450 -15.108 -19.630 1.00 0.00 N ATOM 124 CA ASN A 10 -24.620 -14.541 -18.973 1.00 0.00 C ATOM 125 C ASN A 10 -24.312 -14.182 -17.524 1.00 0.00 C ATOM 126 O ASN A 10 -24.786 -13.171 -17.008 1.00 0.00 O ATOM 127 CB ASN A 10 -25.790 -15.526 -19.029 1.00 0.00 C ATOM 128 CG ASN A 10 -27.089 -14.909 -18.548 1.00 0.00 C ATOM 129 OD1 ASN A 10 -27.897 -14.437 -19.347 1.00 0.00 O ATOM 130 ND2 ASN A 10 -27.294 -14.911 -17.236 1.00 0.00 N ATOM 0 H ASN A 10 -23.361 -16.120 -19.534 1.00 0.00 H new ATOM 0 HA ASN A 10 -24.895 -13.629 -19.503 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -25.916 -15.879 -20.053 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -25.557 -16.398 -18.418 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -28.150 -14.510 -16.853 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -26.595 -15.314 -16.611 1.00 0.00 H new ATOM 137 N ASP A 11 -23.512 -15.020 -16.872 1.00 0.00 N ATOM 138 CA ASP A 11 -23.138 -14.795 -15.483 1.00 0.00 C ATOM 139 C ASP A 11 -21.771 -14.123 -15.388 1.00 0.00 C ATOM 140 O ASP A 11 -20.923 -14.290 -16.266 1.00 0.00 O ATOM 141 CB ASP A 11 -23.126 -16.121 -14.716 1.00 0.00 C ATOM 142 CG ASP A 11 -24.131 -16.142 -13.579 1.00 0.00 C ATOM 143 OD1 ASP A 11 -25.130 -15.398 -13.654 1.00 0.00 O ATOM 144 OD2 ASP A 11 -23.916 -16.905 -12.612 1.00 0.00 O ATOM 0 H ASP A 11 -23.111 -15.862 -17.285 1.00 0.00 H new ATOM 0 HA ASP A 11 -23.878 -14.131 -15.035 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.344 -16.938 -15.404 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.127 -16.298 -14.317 1.00 0.00 H new ATOM 149 N ASN A 12 -21.563 -13.363 -14.318 1.00 0.00 N ATOM 150 CA ASN A 12 -20.298 -12.668 -14.108 1.00 0.00 C ATOM 151 C ASN A 12 -19.351 -13.508 -13.257 1.00 0.00 C ATOM 152 O ASN A 12 -19.789 -14.330 -12.452 1.00 0.00 O ATOM 153 CB ASN A 12 -20.541 -11.314 -13.437 1.00 0.00 C ATOM 154 CG ASN A 12 -21.101 -10.285 -14.399 1.00 0.00 C ATOM 155 OD1 ASN A 12 -21.993 -10.582 -15.192 1.00 0.00 O ATOM 156 ND2 ASN A 12 -20.579 -9.066 -14.331 1.00 0.00 N ATOM 0 H ASN A 12 -22.254 -13.213 -13.583 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.835 -12.505 -15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -21.232 -11.443 -12.604 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -19.604 -10.945 -13.019 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.917 -8.331 -14.952 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.840 -8.864 -13.657 1.00 0.00 H new ATOM 163 N ASN A 13 -18.052 -13.296 -13.441 1.00 0.00 N ATOM 164 CA ASN A 13 -17.044 -14.035 -12.691 1.00 0.00 C ATOM 165 C ASN A 13 -16.573 -13.236 -11.479 1.00 0.00 C ATOM 166 O ASN A 13 -16.503 -12.008 -11.521 1.00 0.00 O ATOM 167 CB ASN A 13 -15.853 -14.372 -13.590 1.00 0.00 C ATOM 168 CG ASN A 13 -15.305 -15.761 -13.327 1.00 0.00 C ATOM 169 OD1 ASN A 13 -15.718 -16.435 -12.383 1.00 0.00 O ATOM 170 ND2 ASN A 13 -14.367 -16.195 -14.162 1.00 0.00 N ATOM 0 H ASN A 13 -17.673 -12.619 -14.103 1.00 0.00 H new ATOM 0 HA ASN A 13 -17.497 -14.962 -12.339 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.156 -14.296 -14.634 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.063 -13.637 -13.433 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.959 -17.121 -14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.055 -15.602 -14.931 1.00 0.00 H new ATOM 177 N GLN A 14 -16.254 -13.943 -10.401 1.00 0.00 N ATOM 178 CA GLN A 14 -15.790 -13.301 -9.177 1.00 0.00 C ATOM 179 C GLN A 14 -14.340 -12.851 -9.314 1.00 0.00 C ATOM 180 O GLN A 14 -13.966 -11.778 -8.839 1.00 0.00 O ATOM 181 CB GLN A 14 -15.929 -14.256 -7.989 1.00 0.00 C ATOM 182 CG GLN A 14 -17.290 -14.928 -7.901 1.00 0.00 C ATOM 183 CD GLN A 14 -17.200 -16.441 -7.963 1.00 0.00 C ATOM 184 OE1 GLN A 14 -16.401 -16.998 -8.717 1.00 0.00 O ATOM 185 NE2 GLN A 14 -18.020 -17.116 -7.166 1.00 0.00 N ATOM 0 H GLN A 14 -16.308 -14.960 -10.350 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.410 -12.422 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.158 -15.024 -8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.746 -13.704 -7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.776 -14.635 -6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.920 -14.572 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -18.666 -16.615 -6.557 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.003 -18.136 -7.163 1.00 0.00 H new ATOM 194 N PHE A 15 -13.525 -13.677 -9.963 1.00 0.00 N ATOM 195 CA PHE A 15 -12.115 -13.360 -10.157 1.00 0.00 C ATOM 196 C PHE A 15 -11.927 -12.256 -11.197 1.00 0.00 C ATOM 197 O PHE A 15 -10.826 -11.729 -11.357 1.00 0.00 O ATOM 198 CB PHE A 15 -11.340 -14.608 -10.580 1.00 0.00 C ATOM 199 CG PHE A 15 -9.855 -14.390 -10.657 1.00 0.00 C ATOM 200 CD1 PHE A 15 -9.192 -13.679 -9.667 1.00 0.00 C ATOM 201 CD2 PHE A 15 -9.124 -14.891 -11.721 1.00 0.00 C ATOM 202 CE1 PHE A 15 -7.828 -13.474 -9.739 1.00 0.00 C ATOM 203 CE2 PHE A 15 -7.759 -14.690 -11.797 1.00 0.00 C ATOM 204 CZ PHE A 15 -7.110 -13.980 -10.804 1.00 0.00 C ATOM 0 H PHE A 15 -13.816 -14.569 -10.363 1.00 0.00 H new ATOM 0 HA PHE A 15 -11.726 -13.000 -9.205 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -11.546 -15.412 -9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.702 -14.939 -11.553 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.749 -13.282 -8.831 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -9.626 -15.445 -12.500 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.323 -12.918 -8.963 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.200 -15.087 -12.631 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.043 -13.822 -10.861 1.00 0.00 H new ATOM 214 N TYR A 16 -12.999 -11.913 -11.905 1.00 0.00 N ATOM 215 CA TYR A 16 -12.935 -10.874 -12.926 1.00 0.00 C ATOM 216 C TYR A 16 -12.659 -9.509 -12.302 1.00 0.00 C ATOM 217 O TYR A 16 -11.754 -8.793 -12.730 1.00 0.00 O ATOM 218 CB TYR A 16 -14.243 -10.827 -13.719 1.00 0.00 C ATOM 219 CG TYR A 16 -14.154 -10.011 -14.991 1.00 0.00 C ATOM 220 CD1 TYR A 16 -13.969 -8.634 -14.943 1.00 0.00 C ATOM 221 CD2 TYR A 16 -14.257 -10.616 -16.238 1.00 0.00 C ATOM 222 CE1 TYR A 16 -13.886 -7.885 -16.100 1.00 0.00 C ATOM 223 CE2 TYR A 16 -14.175 -9.871 -17.400 1.00 0.00 C ATOM 224 CZ TYR A 16 -13.991 -8.505 -17.325 1.00 0.00 C ATOM 225 OH TYR A 16 -13.911 -7.756 -18.478 1.00 0.00 O ATOM 0 H TYR A 16 -13.919 -12.338 -11.791 1.00 0.00 H new ATOM 0 HA TYR A 16 -12.115 -11.117 -13.601 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -14.542 -11.845 -13.971 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -15.027 -10.412 -13.086 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.889 -8.142 -13.985 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.403 -11.684 -16.300 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.739 -6.816 -16.044 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.255 -10.356 -18.362 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.003 -8.344 -19.257 1.00 0.00 H new ATOM 235 N GLN A 17 -13.446 -9.155 -11.290 1.00 0.00 N ATOM 236 CA GLN A 17 -13.286 -7.874 -10.611 1.00 0.00 C ATOM 237 C GLN A 17 -12.279 -7.975 -9.468 1.00 0.00 C ATOM 238 O GLN A 17 -11.710 -6.970 -9.043 1.00 0.00 O ATOM 239 CB GLN A 17 -14.633 -7.378 -10.080 1.00 0.00 C ATOM 240 CG GLN A 17 -15.543 -6.820 -11.162 1.00 0.00 C ATOM 241 CD GLN A 17 -16.984 -7.269 -11.007 1.00 0.00 C ATOM 242 OE1 GLN A 17 -17.795 -6.584 -10.385 1.00 0.00 O ATOM 243 NE2 GLN A 17 -17.308 -8.425 -11.574 1.00 0.00 N ATOM 0 H GLN A 17 -14.199 -9.736 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.905 -7.158 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.142 -8.201 -9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.457 -6.606 -9.331 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.502 -5.731 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.173 -7.132 -12.138 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -16.603 -8.960 -12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -18.262 -8.778 -11.503 1.00 0.00 H new ATOM 252 N GLN A 18 -12.058 -9.189 -8.973 1.00 0.00 N ATOM 253 CA GLN A 18 -11.113 -9.397 -7.883 1.00 0.00 C ATOM 254 C GLN A 18 -9.702 -9.018 -8.314 1.00 0.00 C ATOM 255 O GLN A 18 -8.983 -8.332 -7.589 1.00 0.00 O ATOM 256 CB GLN A 18 -11.150 -10.851 -7.413 1.00 0.00 C ATOM 257 CG GLN A 18 -12.231 -11.122 -6.380 1.00 0.00 C ATOM 258 CD GLN A 18 -12.537 -12.599 -6.223 1.00 0.00 C ATOM 259 OE1 GLN A 18 -11.654 -13.446 -6.354 1.00 0.00 O ATOM 260 NE2 GLN A 18 -13.797 -12.913 -5.943 1.00 0.00 N ATOM 0 H GLN A 18 -12.517 -10.037 -9.307 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.404 -8.754 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.309 -11.500 -8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.180 -11.114 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.918 -10.716 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.141 -10.596 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.496 -12.177 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.066 -13.890 -5.828 1.00 0.00 H new ATOM 269 N LYS A 19 -9.312 -9.459 -9.507 1.00 0.00 N ATOM 270 CA LYS A 19 -7.989 -9.153 -10.036 1.00 0.00 C ATOM 271 C LYS A 19 -7.797 -7.646 -10.152 1.00 0.00 C ATOM 272 O LYS A 19 -6.678 -7.141 -10.075 1.00 0.00 O ATOM 273 CB LYS A 19 -7.788 -9.817 -11.402 1.00 0.00 C ATOM 274 CG LYS A 19 -6.403 -10.419 -11.598 1.00 0.00 C ATOM 275 CD LYS A 19 -5.368 -9.358 -11.940 1.00 0.00 C ATOM 276 CE LYS A 19 -5.407 -8.988 -13.415 1.00 0.00 C ATOM 277 NZ LYS A 19 -4.142 -9.355 -14.111 1.00 0.00 N ATOM 0 H LYS A 19 -9.893 -10.028 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.245 -9.548 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.535 -10.601 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.966 -9.079 -12.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.102 -10.941 -10.690 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.439 -11.162 -12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.547 -8.468 -11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.374 -9.723 -11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.245 -9.493 -13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.580 -7.917 -13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.207 -9.087 -15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.345 -8.853 -13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.990 -10.381 -14.036 1.00 0.00 H new ATOM 291 N GLN A 20 -8.902 -6.934 -10.330 1.00 0.00 N ATOM 292 CA GLN A 20 -8.871 -5.482 -10.452 1.00 0.00 C ATOM 293 C GLN A 20 -8.476 -4.836 -9.126 1.00 0.00 C ATOM 294 O GLN A 20 -7.668 -3.908 -9.095 1.00 0.00 O ATOM 295 CB GLN A 20 -10.233 -4.954 -10.905 1.00 0.00 C ATOM 296 CG GLN A 20 -10.608 -5.369 -12.319 1.00 0.00 C ATOM 297 CD GLN A 20 -10.027 -4.443 -13.369 1.00 0.00 C ATOM 298 OE1 GLN A 20 -8.816 -4.415 -13.590 1.00 0.00 O ATOM 299 NE2 GLN A 20 -10.892 -3.679 -14.025 1.00 0.00 N ATOM 0 H GLN A 20 -9.835 -7.341 -10.393 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.124 -5.221 -11.202 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.999 -5.310 -10.216 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.230 -3.866 -10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.257 -6.385 -12.501 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.694 -5.385 -12.414 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.887 -3.735 -13.809 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.561 -3.036 -14.745 1.00 0.00 H new ATOM 308 N ARG A 21 -9.050 -5.334 -8.031 1.00 0.00 N ATOM 309 CA ARG A 21 -8.755 -4.805 -6.701 1.00 0.00 C ATOM 310 C ARG A 21 -7.258 -4.829 -6.423 1.00 0.00 C ATOM 311 O ARG A 21 -6.654 -3.798 -6.128 1.00 0.00 O ATOM 312 CB ARG A 21 -9.501 -5.596 -5.632 1.00 0.00 C ATOM 313 CG ARG A 21 -10.716 -4.859 -5.089 1.00 0.00 C ATOM 314 CD ARG A 21 -11.708 -5.807 -4.436 1.00 0.00 C ATOM 315 NE ARG A 21 -12.544 -6.485 -5.423 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.790 -6.893 -5.192 1.00 0.00 C ATOM 317 NH1 ARG A 21 -14.353 -6.705 -4.003 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.475 -7.495 -6.153 1.00 0.00 N ATOM 0 H ARG A 21 -9.721 -6.102 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.092 -3.769 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.819 -6.551 -6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.820 -5.818 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.394 -4.114 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.207 -4.322 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.168 -6.548 -3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.341 -5.250 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.148 -6.657 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.830 -6.245 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.308 -7.021 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.048 -7.645 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.430 -7.809 -5.979 1.00 0.00 H new ATOM 332 N GLN A 22 -6.663 -6.012 -6.522 1.00 0.00 N ATOM 333 CA GLN A 22 -5.236 -6.165 -6.283 1.00 0.00 C ATOM 334 C GLN A 22 -4.423 -5.581 -7.435 1.00 0.00 C ATOM 335 O GLN A 22 -3.211 -5.431 -7.327 1.00 0.00 O ATOM 336 CB GLN A 22 -4.879 -7.641 -6.088 1.00 0.00 C ATOM 337 CG GLN A 22 -4.119 -7.913 -4.799 1.00 0.00 C ATOM 338 CD GLN A 22 -4.427 -9.275 -4.204 1.00 0.00 C ATOM 339 OE1 GLN A 22 -3.521 -10.036 -3.870 1.00 0.00 O ATOM 340 NE2 GLN A 22 -5.711 -9.589 -4.066 1.00 0.00 N ATOM 0 H GLN A 22 -7.147 -6.876 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.989 -5.618 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.795 -8.232 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.278 -7.977 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.049 -7.841 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.363 -7.141 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.432 -8.928 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.976 -10.491 -3.670 1.00 0.00 H new ATOM 349 N ALA A 23 -5.092 -5.253 -8.537 1.00 0.00 N ATOM 350 CA ALA A 23 -4.403 -4.687 -9.692 1.00 0.00 C ATOM 351 C ALA A 23 -3.876 -3.293 -9.381 1.00 0.00 C ATOM 352 O ALA A 23 -2.670 -3.090 -9.240 1.00 0.00 O ATOM 353 CB ALA A 23 -5.320 -4.647 -10.907 1.00 0.00 C ATOM 0 H ALA A 23 -6.099 -5.368 -8.654 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.555 -5.332 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.783 -4.221 -11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.642 -5.659 -11.153 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.192 -4.033 -10.684 1.00 0.00 H new ATOM 359 N LEU A 24 -4.789 -2.336 -9.266 1.00 0.00 N ATOM 360 CA LEU A 24 -4.417 -0.964 -8.960 1.00 0.00 C ATOM 361 C LEU A 24 -3.806 -0.881 -7.566 1.00 0.00 C ATOM 362 O LEU A 24 -2.922 -0.065 -7.311 1.00 0.00 O ATOM 363 CB LEU A 24 -5.639 -0.059 -9.071 1.00 0.00 C ATOM 364 CG LEU A 24 -5.949 0.431 -10.483 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.766 1.188 -11.069 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.316 -0.749 -11.364 1.00 0.00 C ATOM 0 H LEU A 24 -5.791 -2.487 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.670 -0.628 -9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.507 -0.597 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.492 0.807 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.794 1.118 -10.437 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.013 1.526 -12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.539 2.050 -10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.898 0.531 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.537 -0.396 -12.371 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.482 -1.450 -11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.193 -1.250 -10.955 1.00 0.00 H new ATOM 378 N GLY A 25 -4.272 -1.736 -6.661 1.00 0.00 N ATOM 379 CA GLY A 25 -3.739 -1.738 -5.311 1.00 0.00 C ATOM 380 C GLY A 25 -2.259 -2.052 -5.307 1.00 0.00 C ATOM 381 O GLY A 25 -1.476 -1.416 -4.599 1.00 0.00 O ATOM 0 H GLY A 25 -5.005 -2.424 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.908 -0.765 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.271 -2.474 -4.708 1.00 0.00 H new ATOM 385 N GLU A 26 -1.868 -3.021 -6.128 1.00 0.00 N ATOM 386 CA GLU A 26 -0.468 -3.394 -6.238 1.00 0.00 C ATOM 387 C GLU A 26 0.347 -2.197 -6.708 1.00 0.00 C ATOM 388 O GLU A 26 1.534 -2.081 -6.400 1.00 0.00 O ATOM 389 CB GLU A 26 -0.295 -4.560 -7.211 1.00 0.00 C ATOM 390 CG GLU A 26 0.854 -5.489 -6.854 1.00 0.00 C ATOM 391 CD GLU A 26 0.443 -6.949 -6.865 1.00 0.00 C ATOM 392 OE1 GLU A 26 -0.614 -7.269 -6.282 1.00 0.00 O ATOM 393 OE2 GLU A 26 1.176 -7.769 -7.456 1.00 0.00 O ATOM 0 H GLU A 26 -2.499 -3.558 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.113 -3.710 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.220 -5.136 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.132 -4.164 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.671 -5.339 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.234 -5.229 -5.866 1.00 0.00 H new ATOM 400 N GLN A 27 -0.303 -1.296 -7.450 1.00 0.00 N ATOM 401 CA GLN A 27 0.366 -0.101 -7.943 1.00 0.00 C ATOM 402 C GLN A 27 0.886 0.726 -6.772 1.00 0.00 C ATOM 403 O GLN A 27 1.943 1.343 -6.854 1.00 0.00 O ATOM 404 CB GLN A 27 -0.577 0.737 -8.810 1.00 0.00 C ATOM 405 CG GLN A 27 -0.272 0.648 -10.296 1.00 0.00 C ATOM 406 CD GLN A 27 0.580 1.805 -10.784 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.319 2.379 -11.841 1.00 0.00 O ATOM 408 NE2 GLN A 27 1.604 2.153 -10.014 1.00 0.00 N ATOM 0 H GLN A 27 -1.284 -1.375 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 27 1.208 -0.409 -8.562 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.603 0.411 -8.637 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.517 1.779 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.243 -0.290 -10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.207 0.628 -10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.783 1.649 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.211 2.924 -10.291 1.00 0.00 H new ATOM 417 N LEU A 28 0.132 0.707 -5.675 1.00 0.00 N ATOM 418 CA LEU A 28 0.498 1.431 -4.459 1.00 0.00 C ATOM 419 C LEU A 28 1.863 0.973 -3.960 1.00 0.00 C ATOM 420 O LEU A 28 2.735 1.784 -3.640 1.00 0.00 O ATOM 421 CB LEU A 28 -0.561 1.181 -3.375 1.00 0.00 C ATOM 422 CG LEU A 28 -0.700 2.268 -2.301 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.172 3.572 -2.918 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.667 1.821 -1.209 1.00 0.00 C ATOM 0 H LEU A 28 -0.746 0.192 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 28 0.547 2.497 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.528 1.056 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.329 0.238 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 28 0.280 2.431 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.264 4.330 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.450 3.904 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.141 3.420 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.753 2.604 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.647 1.629 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.293 0.909 -0.743 1.00 0.00 H new ATOM 436 N TYR A 29 2.030 -0.340 -3.890 1.00 0.00 N ATOM 437 CA TYR A 29 3.272 -0.941 -3.419 1.00 0.00 C ATOM 438 C TYR A 29 4.420 -0.729 -4.406 1.00 0.00 C ATOM 439 O TYR A 29 5.489 -0.248 -4.029 1.00 0.00 O ATOM 440 CB TYR A 29 3.044 -2.434 -3.177 1.00 0.00 C ATOM 441 CG TYR A 29 4.279 -3.209 -2.777 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.021 -2.857 -1.657 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.686 -4.312 -3.513 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.132 -3.584 -1.283 1.00 0.00 C ATOM 445 CE2 TYR A 29 5.800 -5.041 -3.148 1.00 0.00 C ATOM 446 CZ TYR A 29 6.516 -4.671 -2.029 1.00 0.00 C ATOM 447 OH TYR A 29 7.614 -5.399 -1.646 1.00 0.00 O ATOM 0 H TYR A 29 1.314 -1.016 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 29 3.559 -0.453 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.291 -2.550 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.633 -2.876 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.724 -2.001 -1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.122 -4.605 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.697 -3.300 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.108 -5.894 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 29 7.754 -6.136 -2.276 1.00 0.00 H new ATOM 457 N LYS A 30 4.200 -1.087 -5.667 1.00 0.00 N ATOM 458 CA LYS A 30 5.231 -0.933 -6.692 1.00 0.00 C ATOM 459 C LYS A 30 5.665 0.525 -6.821 1.00 0.00 C ATOM 460 O LYS A 30 6.823 0.812 -7.122 1.00 0.00 O ATOM 461 CB LYS A 30 4.715 -1.428 -8.040 1.00 0.00 C ATOM 462 CG LYS A 30 3.570 -0.589 -8.569 1.00 0.00 C ATOM 463 CD LYS A 30 3.234 -0.928 -10.011 1.00 0.00 C ATOM 464 CE LYS A 30 4.276 -0.367 -10.964 1.00 0.00 C ATOM 465 NZ LYS A 30 4.130 -0.918 -12.338 1.00 0.00 N ATOM 0 H LYS A 30 3.323 -1.484 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 30 6.092 -1.529 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.531 -1.419 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.387 -2.463 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.689 -0.744 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.831 0.467 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.175 -2.010 -10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.253 -0.526 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.189 0.719 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.273 -0.595 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.860 -0.509 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.239 -1.952 -12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.189 -0.679 -12.710 1.00 0.00 H new ATOM 479 N LYS A 31 4.727 1.443 -6.599 1.00 0.00 N ATOM 480 CA LYS A 31 5.017 2.870 -6.700 1.00 0.00 C ATOM 481 C LYS A 31 6.083 3.259 -5.688 1.00 0.00 C ATOM 482 O LYS A 31 6.888 4.159 -5.930 1.00 0.00 O ATOM 483 CB LYS A 31 3.747 3.690 -6.467 1.00 0.00 C ATOM 484 CG LYS A 31 3.743 5.029 -7.186 1.00 0.00 C ATOM 485 CD LYS A 31 2.969 4.951 -8.495 1.00 0.00 C ATOM 486 CE LYS A 31 3.798 5.442 -9.671 1.00 0.00 C ATOM 487 NZ LYS A 31 3.094 6.505 -10.437 1.00 0.00 N ATOM 0 H LYS A 31 3.763 1.224 -6.349 1.00 0.00 H new ATOM 0 HA LYS A 31 5.388 3.080 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.885 3.109 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.627 3.862 -5.397 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.298 5.788 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.768 5.340 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.659 3.921 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.060 5.548 -8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.752 5.826 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.022 4.605 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.278 6.381 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.071 6.441 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.440 7.438 -10.134 1.00 0.00 H new ATOM 501 N VAL A 32 6.099 2.552 -4.564 1.00 0.00 N ATOM 502 CA VAL A 32 7.086 2.796 -3.525 1.00 0.00 C ATOM 503 C VAL A 32 8.396 2.112 -3.885 1.00 0.00 C ATOM 504 O VAL A 32 9.455 2.738 -3.913 1.00 0.00 O ATOM 505 CB VAL A 32 6.617 2.282 -2.153 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.579 2.734 -1.067 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.203 2.760 -1.855 1.00 0.00 C ATOM 0 H VAL A 32 5.438 1.805 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 32 7.225 3.875 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 32 6.607 1.192 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.236 2.364 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.574 2.339 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.618 3.823 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.890 2.386 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.181 3.850 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.524 2.387 -2.622 1.00 0.00 H new ATOM 517 N SER A 33 8.308 0.817 -4.180 1.00 0.00 N ATOM 518 CA SER A 33 9.473 0.029 -4.560 1.00 0.00 C ATOM 519 C SER A 33 9.910 0.339 -5.994 1.00 0.00 C ATOM 520 O SER A 33 10.810 -0.310 -6.526 1.00 0.00 O ATOM 521 CB SER A 33 9.158 -1.463 -4.421 1.00 0.00 C ATOM 522 OG SER A 33 7.847 -1.750 -4.873 1.00 0.00 O ATOM 0 H SER A 33 7.435 0.290 -4.162 1.00 0.00 H new ATOM 0 HA SER A 33 10.294 0.292 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.880 -2.045 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.261 -1.764 -3.379 1.00 0.00 H new ATOM 0 HG SER A 33 7.670 -2.709 -4.776 1.00 0.00 H new ATOM 528 N ALA A 34 9.276 1.331 -6.620 1.00 0.00 N ATOM 529 CA ALA A 34 9.618 1.708 -7.988 1.00 0.00 C ATOM 530 C ALA A 34 11.088 2.094 -8.099 1.00 0.00 C ATOM 531 O ALA A 34 11.650 2.119 -9.193 1.00 0.00 O ATOM 532 CB ALA A 34 8.738 2.856 -8.460 1.00 0.00 C ATOM 0 H ALA A 34 8.527 1.884 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 34 9.443 0.843 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.007 3.124 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.692 2.550 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.884 3.718 -7.809 1.00 0.00 H new ATOM 538 N LYS A 35 11.706 2.396 -6.961 1.00 0.00 N ATOM 539 CA LYS A 35 13.110 2.781 -6.932 1.00 0.00 C ATOM 540 C LYS A 35 13.990 1.643 -6.407 1.00 0.00 C ATOM 541 O LYS A 35 15.207 1.794 -6.300 1.00 0.00 O ATOM 542 CB LYS A 35 13.294 4.026 -6.062 1.00 0.00 C ATOM 543 CG LYS A 35 14.150 5.099 -6.711 1.00 0.00 C ATOM 544 CD LYS A 35 13.498 6.468 -6.617 1.00 0.00 C ATOM 545 CE LYS A 35 14.530 7.580 -6.697 1.00 0.00 C ATOM 546 NZ LYS A 35 15.283 7.729 -5.421 1.00 0.00 N ATOM 0 H LYS A 35 11.254 2.381 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 35 13.419 3.003 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.315 4.445 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.748 3.734 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.127 5.127 -6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.319 4.847 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.773 6.584 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.948 6.547 -5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.227 7.371 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.033 8.520 -6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.866 8.589 -5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.613 7.801 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.896 6.901 -5.281 1.00 0.00 H new ATOM 560 N THR A 36 13.373 0.507 -6.076 1.00 0.00 N ATOM 561 CA THR A 36 14.113 -0.643 -5.562 1.00 0.00 C ATOM 562 C THR A 36 13.167 -1.792 -5.218 1.00 0.00 C ATOM 563 O THR A 36 12.015 -1.571 -4.853 1.00 0.00 O ATOM 564 CB THR A 36 14.916 -0.240 -4.322 1.00 0.00 C ATOM 565 OG1 THR A 36 15.477 -1.378 -3.687 1.00 0.00 O ATOM 566 CG2 THR A 36 14.091 0.503 -3.294 1.00 0.00 C ATOM 0 H THR A 36 12.367 0.361 -6.155 1.00 0.00 H new ATOM 0 HA THR A 36 14.797 -0.982 -6.339 1.00 0.00 H new ATOM 0 HB THR A 36 15.697 0.425 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 36 16.432 -1.226 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.718 0.760 -2.441 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.691 1.415 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.268 -0.130 -2.962 1.00 0.00 H new ATOM 574 N SER A 37 13.664 -3.023 -5.330 1.00 0.00 N ATOM 575 CA SER A 37 12.857 -4.205 -5.029 1.00 0.00 C ATOM 576 C SER A 37 12.958 -4.588 -3.551 1.00 0.00 C ATOM 577 O SER A 37 12.957 -5.769 -3.206 1.00 0.00 O ATOM 578 CB SER A 37 13.300 -5.380 -5.901 1.00 0.00 C ATOM 579 OG SER A 37 12.529 -6.538 -5.629 1.00 0.00 O ATOM 0 H SER A 37 14.618 -3.228 -5.626 1.00 0.00 H new ATOM 0 HA SER A 37 11.817 -3.963 -5.247 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.202 -5.113 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.354 -5.592 -5.723 1.00 0.00 H new ATOM 0 HG SER A 37 12.496 -6.689 -4.661 1.00 0.00 H new ATOM 585 N ASN A 38 13.020 -3.582 -2.685 1.00 0.00 N ATOM 586 CA ASN A 38 13.097 -3.814 -1.247 1.00 0.00 C ATOM 587 C ASN A 38 11.716 -4.149 -0.691 1.00 0.00 C ATOM 588 O ASN A 38 10.893 -3.259 -0.474 1.00 0.00 O ATOM 589 CB ASN A 38 13.669 -2.590 -0.535 1.00 0.00 C ATOM 590 CG ASN A 38 15.137 -2.749 -0.199 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.502 -3.524 0.687 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.988 -2.017 -0.906 1.00 0.00 N ATOM 0 H ASN A 38 13.018 -2.598 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 38 13.762 -4.659 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.537 -1.711 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.107 -2.411 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.990 -2.083 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.641 -1.388 -1.630 1.00 0.00 H new ATOM 599 N GLU A 39 11.461 -5.434 -0.468 1.00 0.00 N ATOM 600 CA GLU A 39 10.171 -5.868 0.053 1.00 0.00 C ATOM 601 C GLU A 39 9.887 -5.252 1.421 1.00 0.00 C ATOM 602 O GLU A 39 8.730 -5.068 1.799 1.00 0.00 O ATOM 603 CB GLU A 39 10.110 -7.395 0.144 1.00 0.00 C ATOM 604 CG GLU A 39 8.696 -7.952 0.084 1.00 0.00 C ATOM 605 CD GLU A 39 8.624 -9.285 -0.637 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.419 -10.186 -0.298 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.772 -9.427 -1.539 1.00 0.00 O ATOM 0 H GLU A 39 12.126 -6.188 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 39 9.405 -5.524 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.695 -7.823 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.578 -7.714 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.313 -8.070 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.048 -7.235 -0.420 1.00 0.00 H new ATOM 614 N GLU A 40 10.945 -4.928 2.154 1.00 0.00 N ATOM 615 CA GLU A 40 10.799 -4.324 3.473 1.00 0.00 C ATOM 616 C GLU A 40 10.614 -2.817 3.359 1.00 0.00 C ATOM 617 O GLU A 40 10.054 -2.176 4.250 1.00 0.00 O ATOM 618 CB GLU A 40 12.017 -4.641 4.339 1.00 0.00 C ATOM 619 CG GLU A 40 12.334 -6.124 4.409 1.00 0.00 C ATOM 620 CD GLU A 40 13.743 -6.403 4.891 1.00 0.00 C ATOM 621 OE1 GLU A 40 14.654 -5.622 4.547 1.00 0.00 O ATOM 622 OE2 GLU A 40 13.935 -7.405 5.611 1.00 0.00 O ATOM 0 H GLU A 40 11.911 -5.073 1.859 1.00 0.00 H new ATOM 0 HA GLU A 40 9.911 -4.745 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.883 -4.110 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.845 -4.265 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.624 -6.611 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.199 -6.566 3.422 1.00 0.00 H new ATOM 629 N ALA A 41 11.101 -2.255 2.261 1.00 0.00 N ATOM 630 CA ALA A 41 11.004 -0.825 2.023 1.00 0.00 C ATOM 631 C ALA A 41 9.587 -0.403 1.672 1.00 0.00 C ATOM 632 O ALA A 41 8.920 0.292 2.437 1.00 0.00 O ATOM 633 CB ALA A 41 11.935 -0.427 0.896 1.00 0.00 C ATOM 0 H ALA A 41 11.570 -2.773 1.518 1.00 0.00 H new ATOM 0 HA ALA A 41 11.290 -0.320 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.858 0.646 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.961 -0.678 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.657 -0.962 -0.012 1.00 0.00 H new ATOM 639 N ALA A 42 9.148 -0.819 0.492 1.00 0.00 N ATOM 640 CA ALA A 42 7.826 -0.480 0.001 1.00 0.00 C ATOM 641 C ALA A 42 6.739 -1.089 0.874 1.00 0.00 C ATOM 642 O ALA A 42 5.661 -0.516 1.020 1.00 0.00 O ATOM 643 CB ALA A 42 7.682 -0.926 -1.443 1.00 0.00 C ATOM 0 H ALA A 42 9.696 -1.397 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 42 7.707 0.603 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.687 -0.669 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.432 -0.425 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.823 -2.005 -1.506 1.00 0.00 H new ATOM 649 N GLY A 43 7.034 -2.236 1.476 1.00 0.00 N ATOM 650 CA GLY A 43 6.066 -2.873 2.346 1.00 0.00 C ATOM 651 C GLY A 43 5.795 -2.030 3.571 1.00 0.00 C ATOM 652 O GLY A 43 4.731 -2.127 4.185 1.00 0.00 O ATOM 0 H GLY A 43 7.920 -2.732 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.136 -3.037 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.435 -3.853 2.650 1.00 0.00 H new ATOM 656 N LYS A 44 6.765 -1.189 3.918 1.00 0.00 N ATOM 657 CA LYS A 44 6.638 -0.305 5.068 1.00 0.00 C ATOM 658 C LYS A 44 5.664 0.826 4.762 1.00 0.00 C ATOM 659 O LYS A 44 4.630 0.973 5.415 1.00 0.00 O ATOM 660 CB LYS A 44 8.008 0.266 5.444 1.00 0.00 C ATOM 661 CG LYS A 44 8.392 0.017 6.893 1.00 0.00 C ATOM 662 CD LYS A 44 8.418 -1.468 7.221 1.00 0.00 C ATOM 663 CE LYS A 44 8.196 -1.713 8.704 1.00 0.00 C ATOM 664 NZ LYS A 44 7.264 -2.847 8.949 1.00 0.00 N ATOM 0 H LYS A 44 7.649 -1.102 3.417 1.00 0.00 H new ATOM 0 HA LYS A 44 6.251 -0.879 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.766 -0.173 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.009 1.340 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.373 0.450 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.683 0.522 7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.648 -1.982 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.376 -1.892 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.152 -1.920 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.797 -0.810 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.140 -2.980 9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.343 -2.640 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.657 -3.715 8.532 1.00 0.00 H new ATOM 678 N ILE A 45 6.010 1.618 3.757 1.00 0.00 N ATOM 679 CA ILE A 45 5.186 2.742 3.339 1.00 0.00 C ATOM 680 C ILE A 45 3.801 2.279 2.900 1.00 0.00 C ATOM 681 O ILE A 45 2.800 2.943 3.173 1.00 0.00 O ATOM 682 CB ILE A 45 5.856 3.503 2.182 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.191 4.093 2.644 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.939 4.592 1.637 1.00 0.00 C ATOM 685 CD1 ILE A 45 8.076 4.513 1.505 1.00 0.00 C ATOM 0 H ILE A 45 6.864 1.500 3.212 1.00 0.00 H new ATOM 0 HA ILE A 45 5.079 3.405 4.197 1.00 0.00 H new ATOM 0 HB ILE A 45 6.048 2.799 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.999 4.955 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.716 3.356 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.439 5.113 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.017 4.141 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.705 5.301 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.006 4.923 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.297 3.649 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.568 5.272 0.911 1.00 0.00 H new ATOM 697 N THR A 46 3.750 1.138 2.221 1.00 0.00 N ATOM 698 CA THR A 46 2.483 0.591 1.751 1.00 0.00 C ATOM 699 C THR A 46 1.495 0.464 2.905 1.00 0.00 C ATOM 700 O THR A 46 0.303 0.719 2.741 1.00 0.00 O ATOM 701 CB THR A 46 2.700 -0.764 1.078 1.00 0.00 C ATOM 702 OG1 THR A 46 3.517 -0.614 -0.071 1.00 0.00 O ATOM 703 CG2 THR A 46 1.410 -1.439 0.649 1.00 0.00 C ATOM 0 H THR A 46 4.568 0.576 1.985 1.00 0.00 H new ATOM 0 HA THR A 46 2.065 1.277 1.014 1.00 0.00 H new ATOM 0 HB THR A 46 3.178 -1.394 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.385 -0.242 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.639 -2.395 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.779 -1.605 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.885 -0.802 -0.062 1.00 0.00 H new ATOM 711 N GLY A 47 2.002 0.080 4.075 1.00 0.00 N ATOM 712 CA GLY A 47 1.150 -0.058 5.239 1.00 0.00 C ATOM 713 C GLY A 47 0.519 1.262 5.635 1.00 0.00 C ATOM 714 O GLY A 47 -0.616 1.297 6.108 1.00 0.00 O ATOM 0 H GLY A 47 2.986 -0.137 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.367 -0.787 5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.734 -0.446 6.073 1.00 0.00 H new ATOM 718 N MET A 48 1.252 2.353 5.424 1.00 0.00 N ATOM 719 CA MET A 48 0.747 3.681 5.747 1.00 0.00 C ATOM 720 C MET A 48 -0.348 4.078 4.766 1.00 0.00 C ATOM 721 O MET A 48 -1.468 4.400 5.165 1.00 0.00 O ATOM 722 CB MET A 48 1.880 4.709 5.713 1.00 0.00 C ATOM 723 CG MET A 48 2.610 4.851 7.040 1.00 0.00 C ATOM 724 SD MET A 48 4.296 4.209 6.979 1.00 0.00 S ATOM 725 CE MET A 48 5.183 5.487 7.866 1.00 0.00 C ATOM 0 H MET A 48 2.194 2.342 5.032 1.00 0.00 H new ATOM 0 HA MET A 48 0.330 3.657 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.596 4.424 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.472 5.678 5.426 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.636 5.903 7.325 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.053 4.324 7.815 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.079 5.762 7.309 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.543 6.362 7.979 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.468 5.116 8.850 1.00 0.00 H new ATOM 735 N ILE A 49 -0.025 4.037 3.474 1.00 0.00 N ATOM 736 CA ILE A 49 -0.991 4.380 2.438 1.00 0.00 C ATOM 737 C ILE A 49 -2.059 3.293 2.300 1.00 0.00 C ATOM 738 O ILE A 49 -2.954 3.393 1.461 1.00 0.00 O ATOM 739 CB ILE A 49 -0.310 4.602 1.071 1.00 0.00 C ATOM 740 CG1 ILE A 49 0.937 5.476 1.226 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.281 5.237 0.087 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.127 4.963 0.448 1.00 0.00 C ATOM 0 H ILE A 49 0.895 3.770 3.123 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.463 5.313 2.746 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.006 3.631 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.706 6.489 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.201 5.537 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.783 5.386 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.141 4.582 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.615 6.199 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.976 5.628 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.383 3.962 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.880 4.929 -0.613 1.00 0.00 H new ATOM 754 N LEU A 50 -1.972 2.265 3.149 1.00 0.00 N ATOM 755 CA LEU A 50 -2.945 1.179 3.139 1.00 0.00 C ATOM 756 C LEU A 50 -4.237 1.612 3.832 1.00 0.00 C ATOM 757 O LEU A 50 -5.120 0.793 4.086 1.00 0.00 O ATOM 758 CB LEU A 50 -2.369 -0.063 3.831 1.00 0.00 C ATOM 759 CG LEU A 50 -2.494 -1.372 3.045 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.953 -1.771 2.885 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.825 -1.241 1.688 1.00 0.00 C ATOM 0 H LEU A 50 -1.237 2.166 3.850 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.170 0.930 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.314 0.115 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.869 -0.187 4.792 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.988 -2.157 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.016 -2.703 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.403 -1.909 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.488 -0.988 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.923 -2.179 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.303 -0.441 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.769 -1.009 1.824 1.00 0.00 H new ATOM 773 N ASP A 51 -4.345 2.910 4.128 1.00 0.00 N ATOM 774 CA ASP A 51 -5.526 3.451 4.778 1.00 0.00 C ATOM 775 C ASP A 51 -6.666 3.589 3.776 1.00 0.00 C ATOM 776 O ASP A 51 -7.838 3.580 4.154 1.00 0.00 O ATOM 777 CB ASP A 51 -5.210 4.810 5.409 1.00 0.00 C ATOM 778 CG ASP A 51 -6.150 5.150 6.550 1.00 0.00 C ATOM 779 OD1 ASP A 51 -7.321 5.486 6.274 1.00 0.00 O ATOM 780 OD2 ASP A 51 -5.715 5.080 7.718 1.00 0.00 O ATOM 0 H ASP A 51 -3.623 3.601 3.924 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.834 2.763 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.184 4.807 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.274 5.586 4.646 1.00 0.00 H new ATOM 785 N LEU A 52 -6.318 3.701 2.494 1.00 0.00 N ATOM 786 CA LEU A 52 -7.318 3.823 1.447 1.00 0.00 C ATOM 787 C LEU A 52 -7.766 2.441 0.982 1.00 0.00 C ATOM 788 O LEU A 52 -6.942 1.627 0.562 1.00 0.00 O ATOM 789 CB LEU A 52 -6.750 4.603 0.265 1.00 0.00 C ATOM 790 CG LEU A 52 -6.698 6.118 0.449 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.839 6.484 1.648 1.00 0.00 C ATOM 792 CD2 LEU A 52 -6.160 6.774 -0.807 1.00 0.00 C ATOM 0 H LEU A 52 -5.354 3.709 2.162 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.177 4.360 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.741 4.243 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.349 4.381 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.709 6.481 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.815 7.568 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.259 6.034 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.825 6.113 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.126 7.854 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.155 6.403 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.811 6.537 -1.649 1.00 0.00 H new ATOM 804 N PRO A 53 -9.079 2.147 1.047 1.00 0.00 N ATOM 805 CA PRO A 53 -9.610 0.850 0.625 1.00 0.00 C ATOM 806 C PRO A 53 -9.016 0.400 -0.706 1.00 0.00 C ATOM 807 O PRO A 53 -8.447 1.205 -1.441 1.00 0.00 O ATOM 808 CB PRO A 53 -11.108 1.104 0.481 1.00 0.00 C ATOM 809 CG PRO A 53 -11.403 2.239 1.404 1.00 0.00 C ATOM 810 CD PRO A 53 -10.137 3.050 1.532 1.00 0.00 C ATOM 0 HA PRO A 53 -9.370 0.058 1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.368 1.355 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.685 0.219 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.215 2.852 1.013 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.723 1.870 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.186 3.962 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.960 3.352 2.564 1.00 0.00 H new ATOM 818 N PRO A 54 -9.131 -0.898 -1.034 1.00 0.00 N ATOM 819 CA PRO A 54 -8.590 -1.453 -2.281 1.00 0.00 C ATOM 820 C PRO A 54 -8.913 -0.600 -3.507 1.00 0.00 C ATOM 821 O PRO A 54 -8.014 -0.125 -4.196 1.00 0.00 O ATOM 822 CB PRO A 54 -9.279 -2.811 -2.382 1.00 0.00 C ATOM 823 CG PRO A 54 -9.532 -3.209 -0.969 1.00 0.00 C ATOM 824 CD PRO A 54 -9.789 -1.932 -0.210 1.00 0.00 C ATOM 0 HA PRO A 54 -7.501 -1.502 -2.261 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.208 -2.743 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.648 -3.539 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.388 -3.881 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.675 -3.742 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.856 -1.738 -0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.368 -1.971 0.795 1.00 0.00 H new ATOM 832 N GLN A 55 -10.197 -0.417 -3.781 1.00 0.00 N ATOM 833 CA GLN A 55 -10.622 0.378 -4.931 1.00 0.00 C ATOM 834 C GLN A 55 -10.482 1.876 -4.659 1.00 0.00 C ATOM 835 O GLN A 55 -10.066 2.640 -5.529 1.00 0.00 O ATOM 836 CB GLN A 55 -12.064 0.047 -5.312 1.00 0.00 C ATOM 837 CG GLN A 55 -12.300 -1.433 -5.569 1.00 0.00 C ATOM 838 CD GLN A 55 -13.765 -1.762 -5.789 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.641 -1.238 -5.103 1.00 0.00 O ATOM 840 NE2 GLN A 55 -14.036 -2.634 -6.754 1.00 0.00 N ATOM 0 H GLN A 55 -10.961 -0.805 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.968 0.123 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.728 0.379 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.334 0.610 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.727 -1.742 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.925 -2.009 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.277 -3.044 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.003 -2.893 -6.950 1.00 0.00 H new ATOM 849 N GLU A 56 -10.845 2.286 -3.446 1.00 0.00 N ATOM 850 CA GLU A 56 -10.780 3.692 -3.048 1.00 0.00 C ATOM 851 C GLU A 56 -9.361 4.252 -3.140 1.00 0.00 C ATOM 852 O GLU A 56 -9.167 5.469 -3.139 1.00 0.00 O ATOM 853 CB GLU A 56 -11.308 3.855 -1.621 1.00 0.00 C ATOM 854 CG GLU A 56 -12.274 5.017 -1.449 1.00 0.00 C ATOM 855 CD GLU A 56 -13.541 4.624 -0.713 1.00 0.00 C ATOM 856 OE1 GLU A 56 -14.475 4.115 -1.367 1.00 0.00 O ATOM 857 OE2 GLU A 56 -13.598 4.822 0.519 1.00 0.00 O ATOM 0 H GLU A 56 -11.189 1.661 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.403 4.256 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.807 2.933 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.464 3.994 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.777 5.819 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.537 5.413 -2.430 1.00 0.00 H new ATOM 864 N VAL A 57 -8.372 3.371 -3.223 1.00 0.00 N ATOM 865 CA VAL A 57 -6.983 3.801 -3.318 1.00 0.00 C ATOM 866 C VAL A 57 -6.555 3.951 -4.774 1.00 0.00 C ATOM 867 O VAL A 57 -5.654 4.727 -5.088 1.00 0.00 O ATOM 868 CB VAL A 57 -6.044 2.819 -2.592 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.104 1.436 -3.219 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.618 3.347 -2.579 1.00 0.00 C ATOM 0 H VAL A 57 -8.505 2.360 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.910 4.773 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.384 2.731 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.431 0.765 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.122 1.053 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.802 1.497 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.972 2.638 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.268 3.476 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.590 4.307 -2.063 1.00 0.00 H new ATOM 880 N PHE A 58 -7.210 3.198 -5.654 1.00 0.00 N ATOM 881 CA PHE A 58 -6.910 3.231 -7.090 1.00 0.00 C ATOM 882 C PHE A 58 -6.641 4.653 -7.594 1.00 0.00 C ATOM 883 O PHE A 58 -5.646 4.893 -8.278 1.00 0.00 O ATOM 884 CB PHE A 58 -8.065 2.634 -7.900 1.00 0.00 C ATOM 885 CG PHE A 58 -8.197 1.144 -7.814 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.550 0.415 -6.829 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.987 0.471 -8.732 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.691 -0.960 -6.766 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.130 -0.897 -8.673 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.483 -1.613 -7.691 1.00 0.00 C ATOM 0 H PHE A 58 -7.957 2.552 -5.399 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.007 2.636 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.997 3.086 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.937 2.912 -8.946 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.931 0.924 -6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.498 1.027 -9.504 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.183 -1.521 -5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.749 -1.408 -9.396 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.595 -2.686 -7.644 1.00 0.00 H new ATOM 900 N PRO A 59 -7.532 5.615 -7.279 1.00 0.00 N ATOM 901 CA PRO A 59 -7.379 7.006 -7.729 1.00 0.00 C ATOM 902 C PRO A 59 -6.122 7.670 -7.181 1.00 0.00 C ATOM 903 O PRO A 59 -5.547 8.553 -7.818 1.00 0.00 O ATOM 904 CB PRO A 59 -8.633 7.708 -7.190 1.00 0.00 C ATOM 905 CG PRO A 59 -9.595 6.609 -6.889 1.00 0.00 C ATOM 906 CD PRO A 59 -8.756 5.433 -6.481 1.00 0.00 C ATOM 0 HA PRO A 59 -7.277 7.063 -8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.406 8.289 -6.296 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.043 8.401 -7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.280 6.896 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.203 6.372 -7.762 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.546 5.437 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.249 4.487 -6.706 1.00 0.00 H new ATOM 914 N LEU A 60 -5.699 7.246 -5.996 1.00 0.00 N ATOM 915 CA LEU A 60 -4.510 7.805 -5.365 1.00 0.00 C ATOM 916 C LEU A 60 -3.246 7.172 -5.937 1.00 0.00 C ATOM 917 O LEU A 60 -2.302 7.865 -6.316 1.00 0.00 O ATOM 918 CB LEU A 60 -4.563 7.578 -3.847 1.00 0.00 C ATOM 919 CG LEU A 60 -3.222 7.716 -3.113 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.282 8.841 -2.108 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.837 6.410 -2.427 1.00 0.00 C ATOM 0 H LEU A 60 -6.162 6.517 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.486 8.875 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.269 8.288 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.959 6.580 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.456 7.949 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.323 8.924 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.502 9.777 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.065 8.635 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.883 6.536 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.605 6.139 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.747 5.620 -3.173 1.00 0.00 H new ATOM 933 N LEU A 61 -3.232 5.849 -5.965 1.00 0.00 N ATOM 934 CA LEU A 61 -2.081 5.104 -6.455 1.00 0.00 C ATOM 935 C LEU A 61 -1.804 5.356 -7.938 1.00 0.00 C ATOM 936 O LEU A 61 -0.790 4.897 -8.464 1.00 0.00 O ATOM 937 CB LEU A 61 -2.291 3.609 -6.236 1.00 0.00 C ATOM 938 CG LEU A 61 -3.646 3.078 -6.700 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.574 2.618 -8.144 1.00 0.00 C ATOM 940 CD2 LEU A 61 -4.107 1.945 -5.799 1.00 0.00 C ATOM 0 H LEU A 61 -4.008 5.266 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.218 5.455 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.505 3.065 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.176 3.392 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.374 3.887 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.549 2.243 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.288 3.456 -8.779 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.834 1.823 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.074 1.577 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.378 1.135 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.200 2.309 -4.776 1.00 0.00 H new ATOM 952 N GLU A 62 -2.696 6.070 -8.619 1.00 0.00 N ATOM 953 CA GLU A 62 -2.510 6.345 -10.042 1.00 0.00 C ATOM 954 C GLU A 62 -2.059 7.783 -10.278 1.00 0.00 C ATOM 955 O GLU A 62 -1.649 8.139 -11.382 1.00 0.00 O ATOM 956 CB GLU A 62 -3.805 6.076 -10.811 1.00 0.00 C ATOM 957 CG GLU A 62 -4.935 7.025 -10.447 1.00 0.00 C ATOM 958 CD GLU A 62 -5.665 7.561 -11.661 1.00 0.00 C ATOM 959 OE1 GLU A 62 -5.999 6.757 -12.558 1.00 0.00 O ATOM 960 OE2 GLU A 62 -5.904 8.786 -11.718 1.00 0.00 O ATOM 0 H GLU A 62 -3.545 6.465 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.729 5.678 -10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.606 6.154 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.126 5.052 -10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.644 6.507 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.532 7.860 -9.873 1.00 0.00 H new ATOM 967 N SER A 63 -2.130 8.608 -9.237 1.00 0.00 N ATOM 968 CA SER A 63 -1.718 10.001 -9.345 1.00 0.00 C ATOM 969 C SER A 63 -0.407 10.229 -8.600 1.00 0.00 C ATOM 970 O SER A 63 -0.318 10.005 -7.393 1.00 0.00 O ATOM 971 CB SER A 63 -2.806 10.927 -8.798 1.00 0.00 C ATOM 972 OG SER A 63 -3.381 11.705 -9.836 1.00 0.00 O ATOM 0 H SER A 63 -2.468 8.336 -8.314 1.00 0.00 H new ATOM 0 HA SER A 63 -1.564 10.232 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.581 10.335 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.382 11.584 -8.039 1.00 0.00 H new ATOM 0 HG SER A 63 -4.075 12.288 -9.462 1.00 0.00 H new ATOM 978 N ASP A 64 0.609 10.670 -9.331 1.00 0.00 N ATOM 979 CA ASP A 64 1.918 10.924 -8.746 1.00 0.00 C ATOM 980 C ASP A 64 1.833 11.940 -7.611 1.00 0.00 C ATOM 981 O ASP A 64 2.430 11.750 -6.553 1.00 0.00 O ATOM 982 CB ASP A 64 2.888 11.425 -9.815 1.00 0.00 C ATOM 983 CG ASP A 64 3.468 10.295 -10.641 1.00 0.00 C ATOM 984 OD1 ASP A 64 3.803 9.242 -10.055 1.00 0.00 O ATOM 985 OD2 ASP A 64 3.588 10.460 -11.872 1.00 0.00 O ATOM 0 H ASP A 64 0.551 10.859 -10.332 1.00 0.00 H new ATOM 0 HA ASP A 64 2.285 9.983 -8.336 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.371 12.124 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.698 11.976 -9.338 1.00 0.00 H new ATOM 990 N GLU A 65 1.093 13.020 -7.839 1.00 0.00 N ATOM 991 CA GLU A 65 0.944 14.062 -6.828 1.00 0.00 C ATOM 992 C GLU A 65 0.237 13.522 -5.589 1.00 0.00 C ATOM 993 O GLU A 65 0.708 13.703 -4.467 1.00 0.00 O ATOM 994 CB GLU A 65 0.174 15.257 -7.398 1.00 0.00 C ATOM 995 CG GLU A 65 0.889 16.587 -7.209 1.00 0.00 C ATOM 996 CD GLU A 65 -0.007 17.777 -7.494 1.00 0.00 C ATOM 997 OE1 GLU A 65 -0.899 17.656 -8.359 1.00 0.00 O ATOM 998 OE2 GLU A 65 0.186 18.832 -6.853 1.00 0.00 O ATOM 0 H GLU A 65 0.590 13.197 -8.709 1.00 0.00 H new ATOM 0 HA GLU A 65 1.941 14.394 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.002 15.094 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.805 15.309 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.260 16.653 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.757 16.625 -7.867 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.890 12.853 -5.800 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.654 12.283 -4.699 1.00 0.00 C ATOM 1007 C LEU A 66 -0.808 11.275 -3.920 1.00 0.00 C ATOM 1008 O LEU A 66 -1.057 11.016 -2.742 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.928 11.624 -5.230 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.222 12.168 -4.629 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.249 11.899 -3.133 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.355 13.659 -4.910 1.00 0.00 C ATOM 0 H LEU A 66 -1.294 12.692 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.935 13.085 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.964 11.751 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.875 10.553 -5.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.068 11.660 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.175 12.289 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.193 10.825 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.398 12.390 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.283 14.030 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.510 14.189 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.367 13.827 -5.987 1.00 0.00 H new ATOM 1024 N PHE A 67 0.196 10.718 -4.587 1.00 0.00 N ATOM 1025 CA PHE A 67 1.086 9.749 -3.964 1.00 0.00 C ATOM 1026 C PHE A 67 2.168 10.436 -3.143 1.00 0.00 C ATOM 1027 O PHE A 67 2.352 10.128 -1.970 1.00 0.00 O ATOM 1028 CB PHE A 67 1.741 8.855 -5.014 1.00 0.00 C ATOM 1029 CG PHE A 67 2.107 7.507 -4.470 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.122 6.657 -4.010 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.430 7.097 -4.402 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.444 5.423 -3.492 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.756 5.861 -3.881 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.758 5.024 -3.425 1.00 0.00 C ATOM 0 H PHE A 67 0.414 10.922 -5.562 1.00 0.00 H new ATOM 0 HA PHE A 67 0.477 9.136 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.061 8.731 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.637 9.345 -5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.087 6.963 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.212 7.750 -4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.663 4.767 -3.137 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.789 5.550 -3.830 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.009 4.056 -3.016 1.00 0.00 H new ATOM 1044 N GLU A 68 2.883 11.371 -3.766 1.00 0.00 N ATOM 1045 CA GLU A 68 3.953 12.099 -3.087 1.00 0.00 C ATOM 1046 C GLU A 68 3.526 12.541 -1.690 1.00 0.00 C ATOM 1047 O GLU A 68 4.274 12.384 -0.729 1.00 0.00 O ATOM 1048 CB GLU A 68 4.373 13.316 -3.910 1.00 0.00 C ATOM 1049 CG GLU A 68 5.189 12.964 -5.142 1.00 0.00 C ATOM 1050 CD GLU A 68 6.016 14.130 -5.645 1.00 0.00 C ATOM 1051 OE1 GLU A 68 5.422 15.166 -6.010 1.00 0.00 O ATOM 1052 OE2 GLU A 68 7.259 14.007 -5.674 1.00 0.00 O ATOM 0 H GLU A 68 2.741 11.642 -4.739 1.00 0.00 H new ATOM 0 HA GLU A 68 4.801 11.422 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.481 13.861 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.955 13.988 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.849 12.128 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.519 12.630 -5.934 1.00 0.00 H new ATOM 1059 N GLN A 69 2.321 13.097 -1.592 1.00 0.00 N ATOM 1060 CA GLN A 69 1.787 13.570 -0.316 1.00 0.00 C ATOM 1061 C GLN A 69 1.714 12.443 0.713 1.00 0.00 C ATOM 1062 O GLN A 69 2.357 12.501 1.763 1.00 0.00 O ATOM 1063 CB GLN A 69 0.398 14.170 -0.522 1.00 0.00 C ATOM 1064 CG GLN A 69 -0.005 15.157 0.561 1.00 0.00 C ATOM 1065 CD GLN A 69 -1.296 15.880 0.234 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -2.260 15.835 1.000 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -1.320 16.554 -0.910 1.00 0.00 N ATOM 0 H GLN A 69 1.693 13.232 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 69 2.464 14.334 0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.368 14.672 -1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.335 13.364 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.118 14.628 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.792 15.887 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.498 16.564 -1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.161 17.062 -1.185 1.00 0.00 H new ATOM 1076 N HIS A 70 0.912 11.429 0.409 1.00 0.00 N ATOM 1077 CA HIS A 70 0.741 10.298 1.314 1.00 0.00 C ATOM 1078 C HIS A 70 2.068 9.573 1.497 1.00 0.00 C ATOM 1079 O HIS A 70 2.502 9.329 2.622 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.325 9.339 0.781 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.651 9.485 1.464 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -1.871 9.110 2.772 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.831 9.972 1.015 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.127 9.359 3.100 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.731 9.883 2.051 1.00 0.00 N ATOM 0 H HIS A 70 0.372 11.366 -0.454 1.00 0.00 H new ATOM 0 HA HIS A 70 0.408 10.672 2.282 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.454 9.509 -0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.026 8.314 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.029 10.359 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.580 9.167 4.061 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.708 10.175 2.014 1.00 0.00 H new ATOM 1093 N TYR A 71 2.721 9.253 0.388 1.00 0.00 N ATOM 1094 CA TYR A 71 4.014 8.583 0.427 1.00 0.00 C ATOM 1095 C TYR A 71 5.080 9.494 1.057 1.00 0.00 C ATOM 1096 O TYR A 71 6.186 9.046 1.360 1.00 0.00 O ATOM 1097 CB TYR A 71 4.418 8.156 -0.992 1.00 0.00 C ATOM 1098 CG TYR A 71 5.907 8.011 -1.215 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.614 6.949 -0.665 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.604 8.933 -1.983 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.973 6.811 -0.874 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.961 8.803 -2.199 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.642 7.742 -1.641 1.00 0.00 C ATOM 1104 OH TYR A 71 9.994 7.605 -1.855 1.00 0.00 O ATOM 0 H TYR A 71 2.376 9.447 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 71 3.935 7.692 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.937 7.205 -1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 71 4.029 8.888 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.093 6.219 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.075 9.767 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.508 5.979 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.487 9.529 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 71 10.313 8.342 -2.416 1.00 0.00 H new ATOM 1114 N LYS A 72 4.734 10.770 1.262 1.00 0.00 N ATOM 1115 CA LYS A 72 5.657 11.729 1.867 1.00 0.00 C ATOM 1116 C LYS A 72 5.971 11.339 3.306 1.00 0.00 C ATOM 1117 O LYS A 72 7.100 10.972 3.628 1.00 0.00 O ATOM 1118 CB LYS A 72 5.064 13.140 1.848 1.00 0.00 C ATOM 1119 CG LYS A 72 6.096 14.232 1.620 1.00 0.00 C ATOM 1120 CD LYS A 72 6.543 14.857 2.932 1.00 0.00 C ATOM 1121 CE LYS A 72 7.973 15.372 2.846 1.00 0.00 C ATOM 1122 NZ LYS A 72 8.129 16.412 1.790 1.00 0.00 N ATOM 0 H LYS A 72 3.823 11.159 1.018 1.00 0.00 H new ATOM 0 HA LYS A 72 6.576 11.718 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.308 13.197 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.556 13.324 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.959 13.816 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.676 15.002 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.875 15.678 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.468 14.120 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.268 15.787 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.646 14.540 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.078 16.832 1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.005 15.977 0.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.413 17.154 1.925 1.00 0.00 H new ATOM 1136 N GLU A 73 4.964 11.419 4.170 1.00 0.00 N ATOM 1137 CA GLU A 73 5.139 11.071 5.575 1.00 0.00 C ATOM 1138 C GLU A 73 5.755 9.686 5.699 1.00 0.00 C ATOM 1139 O GLU A 73 6.641 9.456 6.524 1.00 0.00 O ATOM 1140 CB GLU A 73 3.798 11.117 6.314 1.00 0.00 C ATOM 1141 CG GLU A 73 3.506 12.457 6.966 1.00 0.00 C ATOM 1142 CD GLU A 73 2.273 12.416 7.848 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.209 11.984 7.359 1.00 0.00 O ATOM 1144 OE2 GLU A 73 2.372 12.813 9.028 1.00 0.00 O ATOM 0 H GLU A 73 4.022 11.721 3.923 1.00 0.00 H new ATOM 0 HA GLU A 73 5.810 11.800 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.998 10.883 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.788 10.341 7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.366 12.762 7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.370 13.212 6.192 1.00 0.00 H new ATOM 1151 N ALA A 74 5.284 8.769 4.866 1.00 0.00 N ATOM 1152 CA ALA A 74 5.788 7.407 4.870 1.00 0.00 C ATOM 1153 C ALA A 74 7.213 7.352 4.334 1.00 0.00 C ATOM 1154 O ALA A 74 7.999 6.490 4.729 1.00 0.00 O ATOM 1155 CB ALA A 74 4.879 6.511 4.047 1.00 0.00 C ATOM 0 H ALA A 74 4.552 8.946 4.178 1.00 0.00 H new ATOM 0 HA ALA A 74 5.800 7.049 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.266 5.492 4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.875 6.522 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.842 6.875 3.020 1.00 0.00 H new ATOM 1161 N SER A 75 7.544 8.279 3.438 1.00 0.00 N ATOM 1162 CA SER A 75 8.882 8.329 2.861 1.00 0.00 C ATOM 1163 C SER A 75 9.911 8.526 3.966 1.00 0.00 C ATOM 1164 O SER A 75 10.894 7.796 4.053 1.00 0.00 O ATOM 1165 CB SER A 75 8.991 9.451 1.828 1.00 0.00 C ATOM 1166 OG SER A 75 10.341 9.669 1.450 1.00 0.00 O ATOM 0 H SER A 75 6.908 9.000 3.099 1.00 0.00 H new ATOM 0 HA SER A 75 9.076 7.384 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.400 9.198 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.572 10.370 2.239 1.00 0.00 H new ATOM 0 HG SER A 75 10.383 10.390 0.788 1.00 0.00 H new ATOM 1172 N ALA A 76 9.675 9.519 4.815 1.00 0.00 N ATOM 1173 CA ALA A 76 10.576 9.805 5.927 1.00 0.00 C ATOM 1174 C ALA A 76 10.880 8.527 6.709 1.00 0.00 C ATOM 1175 O ALA A 76 12.011 8.298 7.136 1.00 0.00 O ATOM 1176 CB ALA A 76 9.969 10.859 6.838 1.00 0.00 C ATOM 0 H ALA A 76 8.868 10.140 4.756 1.00 0.00 H new ATOM 0 HA ALA A 76 11.513 10.193 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.651 11.063 7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.800 11.775 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.020 10.496 7.233 1.00 0.00 H new ATOM 1182 N ALA A 77 9.857 7.689 6.871 1.00 0.00 N ATOM 1183 CA ALA A 77 10.004 6.418 7.576 1.00 0.00 C ATOM 1184 C ALA A 77 10.749 5.405 6.711 1.00 0.00 C ATOM 1185 O ALA A 77 11.282 4.413 7.208 1.00 0.00 O ATOM 1186 CB ALA A 77 8.643 5.874 7.971 1.00 0.00 C ATOM 0 H ALA A 77 8.915 7.869 6.522 1.00 0.00 H new ATOM 0 HA ALA A 77 10.587 6.592 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.768 4.927 8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.142 6.587 8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.040 5.717 7.076 1.00 0.00 H new ATOM 1192 N TYR A 78 10.796 5.682 5.412 1.00 0.00 N ATOM 1193 CA TYR A 78 11.490 4.828 4.460 1.00 0.00 C ATOM 1194 C TYR A 78 12.949 4.684 4.871 1.00 0.00 C ATOM 1195 O TYR A 78 13.467 3.576 4.996 1.00 0.00 O ATOM 1196 CB TYR A 78 11.405 5.443 3.056 1.00 0.00 C ATOM 1197 CG TYR A 78 11.662 4.477 1.919 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.625 3.484 2.020 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.938 4.569 0.735 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.861 2.611 0.981 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.170 3.697 -0.314 1.00 0.00 C ATOM 1202 CZ TYR A 78 12.132 2.721 -0.184 1.00 0.00 C ATOM 1203 OH TYR A 78 12.373 1.853 -1.223 1.00 0.00 O ATOM 0 H TYR A 78 10.356 6.501 4.993 1.00 0.00 H new ATOM 0 HA TYR A 78 11.021 3.844 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.415 5.879 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 78 12.124 6.259 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 78 13.200 3.394 2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.182 5.334 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.614 1.843 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.601 3.781 -1.228 1.00 0.00 H new ATOM 0 HH TYR A 78 11.775 2.063 -1.970 1.00 0.00 H new ATOM 1213 N GLU A 79 13.601 5.823 5.081 1.00 0.00 N ATOM 1214 CA GLU A 79 15.007 5.853 5.473 1.00 0.00 C ATOM 1215 C GLU A 79 15.229 5.207 6.837 1.00 0.00 C ATOM 1216 O GLU A 79 16.126 4.386 7.001 1.00 0.00 O ATOM 1217 CB GLU A 79 15.519 7.294 5.493 1.00 0.00 C ATOM 1218 CG GLU A 79 16.246 7.698 4.220 1.00 0.00 C ATOM 1219 CD GLU A 79 17.741 7.841 4.421 1.00 0.00 C ATOM 1220 OE1 GLU A 79 18.405 6.817 4.684 1.00 0.00 O ATOM 1221 OE2 GLU A 79 18.248 8.978 4.319 1.00 0.00 O ATOM 0 H GLU A 79 13.175 6.745 4.985 1.00 0.00 H new ATOM 0 HA GLU A 79 15.565 5.277 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.677 7.968 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.191 7.420 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.057 6.953 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.840 8.643 3.859 1.00 0.00 H new ATOM 1228 N SER A 80 14.421 5.594 7.817 1.00 0.00 N ATOM 1229 CA SER A 80 14.551 5.059 9.162 1.00 0.00 C ATOM 1230 C SER A 80 14.407 3.539 9.170 1.00 0.00 C ATOM 1231 O SER A 80 15.242 2.830 9.735 1.00 0.00 O ATOM 1232 CB SER A 80 13.506 5.687 10.085 1.00 0.00 C ATOM 1233 OG SER A 80 13.550 7.102 10.021 1.00 0.00 O ATOM 0 H SER A 80 13.671 6.275 7.703 1.00 0.00 H new ATOM 0 HA SER A 80 15.548 5.308 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.512 5.338 9.804 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.680 5.361 11.111 1.00 0.00 H new ATOM 0 HG SER A 80 12.871 7.478 10.619 1.00 0.00 H new ATOM 1239 N PHE A 81 13.346 3.043 8.542 1.00 0.00 N ATOM 1240 CA PHE A 81 13.096 1.609 8.481 1.00 0.00 C ATOM 1241 C PHE A 81 14.139 0.902 7.621 1.00 0.00 C ATOM 1242 O PHE A 81 14.501 -0.245 7.885 1.00 0.00 O ATOM 1243 CB PHE A 81 11.698 1.336 7.925 1.00 0.00 C ATOM 1244 CG PHE A 81 10.603 1.474 8.943 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.620 0.722 10.108 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.557 2.356 8.734 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.610 0.848 11.045 1.00 0.00 C ATOM 1248 CE2 PHE A 81 8.545 2.486 9.667 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.572 1.732 10.823 1.00 0.00 C ATOM 0 H PHE A 81 12.646 3.614 8.068 1.00 0.00 H new ATOM 0 HA PHE A 81 13.164 1.217 9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.504 2.023 7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.672 0.328 7.512 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.430 0.031 10.286 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.531 2.949 7.832 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.633 0.256 11.948 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.734 3.177 9.491 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.783 1.833 11.553 1.00 0.00 H new ATOM 1259 N LYS A 82 14.614 1.589 6.585 1.00 0.00 N ATOM 1260 CA LYS A 82 15.608 1.018 5.681 1.00 0.00 C ATOM 1261 C LYS A 82 17.009 1.072 6.283 1.00 0.00 C ATOM 1262 O LYS A 82 17.807 0.155 6.104 1.00 0.00 O ATOM 1263 CB LYS A 82 15.601 1.754 4.342 1.00 0.00 C ATOM 1264 CG LYS A 82 14.679 1.123 3.315 1.00 0.00 C ATOM 1265 CD LYS A 82 15.114 -0.295 2.976 1.00 0.00 C ATOM 1266 CE LYS A 82 16.196 -0.312 1.909 1.00 0.00 C ATOM 1267 NZ LYS A 82 17.483 0.246 2.409 1.00 0.00 N ATOM 0 H LYS A 82 14.327 2.540 6.351 1.00 0.00 H new ATOM 0 HA LYS A 82 15.340 -0.027 5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.298 2.788 4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.615 1.778 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.659 1.110 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.671 1.729 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.483 -0.787 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.253 -0.867 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.353 -1.335 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.863 0.264 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.274 -0.186 1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.495 1.276 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.581 0.038 3.423 1.00 0.00 H new ATOM 1281 N LYS A 83 17.305 2.161 6.983 1.00 0.00 N ATOM 1282 CA LYS A 83 18.615 2.345 7.597 1.00 0.00 C ATOM 1283 C LYS A 83 18.680 1.704 8.976 1.00 0.00 C ATOM 1284 O LYS A 83 19.608 0.954 9.276 1.00 0.00 O ATOM 1285 CB LYS A 83 18.939 3.833 7.704 1.00 0.00 C ATOM 1286 CG LYS A 83 18.997 4.537 6.360 1.00 0.00 C ATOM 1287 CD LYS A 83 20.394 5.054 6.064 1.00 0.00 C ATOM 1288 CE LYS A 83 21.154 4.111 5.144 1.00 0.00 C ATOM 1289 NZ LYS A 83 21.850 3.037 5.903 1.00 0.00 N ATOM 0 H LYS A 83 16.655 2.931 7.140 1.00 0.00 H new ATOM 0 HA LYS A 83 19.352 1.855 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.187 4.317 8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.897 3.953 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.688 3.848 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.291 5.367 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.328 6.039 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.944 5.175 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.462 3.662 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 83 21.883 4.678 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.958 2.198 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 22.789 3.373 6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.291 2.788 6.744 1.00 0.00 H new ATOM 1303 N GLU A 84 17.692 1.999 9.813 1.00 0.00 N ATOM 1304 CA GLU A 84 17.647 1.444 11.160 1.00 0.00 C ATOM 1305 C GLU A 84 17.098 0.021 11.150 1.00 0.00 C ATOM 1306 O GLU A 84 16.396 -0.390 12.074 1.00 0.00 O ATOM 1307 CB GLU A 84 16.797 2.326 12.077 1.00 0.00 C ATOM 1308 CG GLU A 84 16.990 2.029 13.556 1.00 0.00 C ATOM 1309 CD GLU A 84 17.946 2.997 14.227 1.00 0.00 C ATOM 1310 OE1 GLU A 84 18.777 3.600 13.516 1.00 0.00 O ATOM 1311 OE2 GLU A 84 17.864 3.152 15.464 1.00 0.00 O ATOM 0 H GLU A 84 16.914 2.617 9.583 1.00 0.00 H new ATOM 0 HA GLU A 84 18.667 1.416 11.542 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.041 3.372 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.745 2.194 11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.024 2.070 14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.367 1.013 13.672 1.00 0.00 H new ATOM 1318 N GLN A 85 17.430 -0.732 10.105 1.00 0.00 N ATOM 1319 CA GLN A 85 16.982 -2.110 9.984 1.00 0.00 C ATOM 1320 C GLN A 85 17.932 -3.038 10.729 1.00 0.00 C ATOM 1321 O GLN A 85 18.485 -3.975 10.156 1.00 0.00 O ATOM 1322 CB GLN A 85 16.889 -2.520 8.510 1.00 0.00 C ATOM 1323 CG GLN A 85 18.189 -2.349 7.740 1.00 0.00 C ATOM 1324 CD GLN A 85 18.916 -3.663 7.518 1.00 0.00 C ATOM 1325 OE1 GLN A 85 18.295 -4.697 7.278 1.00 0.00 O ATOM 1326 NE2 GLN A 85 20.241 -3.624 7.600 1.00 0.00 N ATOM 0 H GLN A 85 18.009 -0.408 9.330 1.00 0.00 H new ATOM 0 HA GLN A 85 15.989 -2.191 10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.578 -3.563 8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.111 -1.928 8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.977 -1.888 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.841 -1.665 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 85 20.714 -2.743 7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.786 -4.475 7.462 1.00 0.00 H new ATOM 1335 N GLU A 86 18.114 -2.770 12.018 1.00 0.00 N ATOM 1336 CA GLU A 86 18.996 -3.579 12.851 1.00 0.00 C ATOM 1337 C GLU A 86 18.308 -4.873 13.288 1.00 0.00 C ATOM 1338 O GLU A 86 18.721 -5.509 14.256 1.00 0.00 O ATOM 1339 CB GLU A 86 19.443 -2.777 14.078 1.00 0.00 C ATOM 1340 CG GLU A 86 20.898 -2.339 14.020 1.00 0.00 C ATOM 1341 CD GLU A 86 21.853 -3.421 14.484 1.00 0.00 C ATOM 1342 OE1 GLU A 86 21.700 -4.578 14.042 1.00 0.00 O ATOM 1343 OE2 GLU A 86 22.756 -3.110 15.289 1.00 0.00 O ATOM 0 H GLU A 86 17.662 -1.998 12.508 1.00 0.00 H new ATOM 0 HA GLU A 86 19.872 -3.845 12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.810 -1.895 14.176 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.289 -3.381 14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.147 -2.054 12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 86 21.031 -1.452 14.640 1.00 0.00 H new ATOM 1350 N GLN A 87 17.259 -5.257 12.564 1.00 0.00 N ATOM 1351 CA GLN A 87 16.517 -6.470 12.868 1.00 0.00 C ATOM 1352 C GLN A 87 17.192 -7.689 12.246 1.00 0.00 C ATOM 1353 O GLN A 87 17.768 -8.518 12.951 1.00 0.00 O ATOM 1354 CB GLN A 87 15.082 -6.339 12.353 1.00 0.00 C ATOM 1355 CG GLN A 87 14.165 -7.463 12.799 1.00 0.00 C ATOM 1356 CD GLN A 87 12.704 -7.157 12.532 1.00 0.00 C ATOM 1357 OE1 GLN A 87 12.176 -7.476 11.467 1.00 0.00 O ATOM 1358 NE2 GLN A 87 12.044 -6.532 13.499 1.00 0.00 N ATOM 0 H GLN A 87 16.905 -4.740 11.759 1.00 0.00 H new ATOM 0 HA GLN A 87 16.500 -6.607 13.949 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.669 -5.389 12.694 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.099 -6.307 11.264 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.442 -8.381 12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.307 -7.643 13.865 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.522 -6.286 14.366 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.059 -6.297 13.375 1.00 0.00 H new ATOM 1367 N GLN A 88 17.124 -7.791 10.922 1.00 0.00 N ATOM 1368 CA GLN A 88 17.735 -8.908 10.209 1.00 0.00 C ATOM 1369 C GLN A 88 19.084 -8.506 9.622 1.00 0.00 C ATOM 1370 O GLN A 88 19.266 -7.371 9.182 1.00 0.00 O ATOM 1371 CB GLN A 88 16.808 -9.407 9.097 1.00 0.00 C ATOM 1372 CG GLN A 88 16.554 -8.379 8.006 1.00 0.00 C ATOM 1373 CD GLN A 88 17.066 -8.828 6.651 1.00 0.00 C ATOM 1374 OE1 GLN A 88 18.236 -8.638 6.321 1.00 0.00 O ATOM 1375 NE2 GLN A 88 16.186 -9.428 5.856 1.00 0.00 N ATOM 0 H GLN A 88 16.652 -7.115 10.322 1.00 0.00 H new ATOM 0 HA GLN A 88 17.895 -9.715 10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.242 -10.301 8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.855 -9.701 9.536 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.484 -8.183 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.034 -7.439 8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.225 -9.565 6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.471 -9.751 4.932 1.00 0.00 H new ATOM 1384 N THR A 89 20.027 -9.443 9.619 1.00 0.00 N ATOM 1385 CA THR A 89 21.356 -9.187 9.089 1.00 0.00 C ATOM 1386 C THR A 89 21.593 -10.008 7.820 1.00 0.00 C ATOM 1387 O THR A 89 20.650 -10.322 7.094 1.00 0.00 O ATOM 1388 CB THR A 89 22.410 -9.508 10.158 1.00 0.00 C ATOM 1389 OG1 THR A 89 22.383 -10.884 10.511 1.00 0.00 O ATOM 1390 CG2 THR A 89 22.230 -8.706 11.428 1.00 0.00 C ATOM 0 H THR A 89 19.892 -10.388 9.979 1.00 0.00 H new ATOM 0 HA THR A 89 21.439 -8.133 8.824 1.00 0.00 H new ATOM 0 HB THR A 89 23.365 -9.243 9.704 1.00 0.00 H new ATOM 0 HG1 THR A 89 23.065 -11.060 11.192 1.00 0.00 H new ATOM 0 HG21 THR A 89 23.006 -8.979 12.144 1.00 0.00 H new ATOM 0 HG22 THR A 89 22.304 -7.643 11.200 1.00 0.00 H new ATOM 0 HG23 THR A 89 21.250 -8.918 11.856 1.00 0.00 H new ATOM 1398 N GLU A 90 22.848 -10.347 7.553 1.00 0.00 N ATOM 1399 CA GLU A 90 23.191 -11.124 6.368 1.00 0.00 C ATOM 1400 C GLU A 90 22.922 -12.609 6.590 1.00 0.00 C ATOM 1401 O GLU A 90 23.061 -13.117 7.702 1.00 0.00 O ATOM 1402 CB GLU A 90 24.660 -10.908 6.000 1.00 0.00 C ATOM 1403 CG GLU A 90 24.972 -9.495 5.528 1.00 0.00 C ATOM 1404 CD GLU A 90 25.337 -9.437 4.058 1.00 0.00 C ATOM 1405 OE1 GLU A 90 24.967 -10.373 3.318 1.00 0.00 O ATOM 1406 OE2 GLU A 90 25.992 -8.457 3.646 1.00 0.00 O ATOM 0 H GLU A 90 23.644 -10.097 8.140 1.00 0.00 H new ATOM 0 HA GLU A 90 22.563 -10.781 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 90 25.280 -11.137 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 90 24.936 -11.613 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 90 24.107 -8.857 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 90 25.795 -9.092 6.119 1.00 0.00 H new ATOM 1413 N GLN A 91 22.538 -13.298 5.521 1.00 0.00 N ATOM 1414 CA GLN A 91 22.248 -14.726 5.592 1.00 0.00 C ATOM 1415 C GLN A 91 23.488 -15.546 5.250 1.00 0.00 C ATOM 1416 O GLN A 91 24.285 -15.159 4.397 1.00 0.00 O ATOM 1417 CB GLN A 91 21.108 -15.084 4.637 1.00 0.00 C ATOM 1418 CG GLN A 91 20.293 -16.285 5.090 1.00 0.00 C ATOM 1419 CD GLN A 91 18.809 -15.987 5.184 1.00 0.00 C ATOM 1420 OE1 GLN A 91 18.217 -16.062 6.261 1.00 0.00 O ATOM 1421 NE2 GLN A 91 18.200 -15.649 4.053 1.00 0.00 N ATOM 0 H GLN A 91 22.420 -12.890 4.594 1.00 0.00 H new ATOM 0 HA GLN A 91 21.945 -14.962 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 91 20.447 -14.224 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 91 21.522 -15.287 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.450 -17.108 4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 91 20.654 -16.617 6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 91 18.730 -15.599 3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 91 17.202 -15.439 4.054 1.00 0.00 H new ATOM 1430 N ALA A 92 23.644 -16.683 5.922 1.00 0.00 N ATOM 1431 CA ALA A 92 24.788 -17.556 5.688 1.00 0.00 C ATOM 1432 C ALA A 92 24.672 -18.264 4.341 1.00 0.00 C ATOM 1433 O ALA A 92 25.664 -18.894 3.918 1.00 0.00 O ATOM 1434 CB ALA A 92 24.914 -18.572 6.813 1.00 0.00 C ATOM 1435 OXT ALA A 92 23.590 -18.184 3.723 1.00 0.00 O ATOM 0 H ALA A 92 22.993 -17.020 6.632 1.00 0.00 H new ATOM 0 HA ALA A 92 25.687 -16.940 5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 92 25.772 -19.218 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 92 25.052 -18.051 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 92 24.008 -19.177 6.860 1.00 0.00 H new TER 1441 ALA A 92