USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 836 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 16 TYR OH : rot 180:sc=-0.00468 USER MOD Set 1.2: A 74 MET CE :methyl 158:sc= -0.137 (180deg=-0.596) USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 92 TYR OH : rot 130:sc= -0.275 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.25) USER MOD Single : A 6 LYS NZ :NH3+ 136:sc= 0.0249 (180deg=-0.0073) USER MOD Single : A 14 CYS SG : rot -108:sc= -2.58! USER MOD Single : A 15 CYS SG : rot 37:sc= 0.026 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 21 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -140:sc= -1.95 (180deg=-4.34!) USER MOD Single : A 32 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.29) USER MOD Single : A 34 CYS SG : rot 49:sc= -4.71! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.75) USER MOD Single : A 58 GLN : amide:sc= -0.952 K(o=-0.95,f=-4.8!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0648 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.44 F(o=-1.8,f=-0.44) USER MOD Single : A 69 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-0.8) USER MOD Single : A 73 GLN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 75 CYS SG : rot -63:sc= 1.1 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 88 SER OG : rot 73:sc= 0.44 USER MOD Single : A 93 GLN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.491 K(o=-0.49,f=-2.8!) USER MOD Single : A 99 THR OG1 : rot 11:sc= -1.67 USER MOD Single : A 100 TYR OH : rot -171:sc= 1.21 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 107 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.057) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.0066) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.492 -15.226 -8.640 1.00 0.00 N ATOM 2 CA GLY A 1 -16.800 -13.917 -8.002 1.00 0.00 C ATOM 3 C GLY A 1 -17.032 -14.039 -6.509 1.00 0.00 C ATOM 4 O GLY A 1 -16.328 -13.420 -5.711 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.342 -15.088 -9.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.631 -15.626 -8.214 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.287 -15.880 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.977 -13.226 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.686 -13.488 -8.470 1.00 0.00 H new ATOM 10 N SER A 2 -18.021 -14.841 -6.130 1.00 0.00 N ATOM 11 CA SER A 2 -18.345 -15.044 -4.723 1.00 0.00 C ATOM 12 C SER A 2 -17.157 -15.636 -3.971 1.00 0.00 C ATOM 13 O SER A 2 -16.077 -15.809 -4.535 1.00 0.00 O ATOM 14 CB SER A 2 -19.560 -15.962 -4.585 1.00 0.00 C ATOM 15 OG SER A 2 -20.760 -15.212 -4.487 1.00 0.00 O ATOM 0 H SER A 2 -18.612 -15.361 -6.778 1.00 0.00 H new ATOM 0 HA SER A 2 -18.581 -14.073 -4.287 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.614 -16.630 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.447 -16.589 -3.701 1.00 0.00 H new ATOM 0 HG SER A 2 -21.522 -15.823 -4.401 1.00 0.00 H new ATOM 21 N GLN A 3 -17.366 -15.946 -2.696 1.00 0.00 N ATOM 22 CA GLN A 3 -16.313 -16.520 -1.867 1.00 0.00 C ATOM 23 C GLN A 3 -16.193 -18.023 -2.104 1.00 0.00 C ATOM 24 O GLN A 3 -16.366 -18.824 -1.184 1.00 0.00 O ATOM 25 CB GLN A 3 -16.590 -16.240 -0.389 1.00 0.00 C ATOM 26 CG GLN A 3 -16.169 -14.848 0.056 1.00 0.00 C ATOM 27 CD GLN A 3 -16.927 -14.372 1.279 1.00 0.00 C ATOM 28 OE1 GLN A 3 -18.153 -14.459 1.338 1.00 0.00 O ATOM 29 NE2 GLN A 3 -16.197 -13.864 2.265 1.00 0.00 N ATOM 0 H GLN A 3 -18.255 -15.809 -2.214 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.368 -16.053 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -17.655 -16.367 -0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.067 -16.980 0.217 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -15.101 -14.848 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.329 -14.145 -0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.182 -13.811 2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.651 -13.527 3.114 1.00 0.00 H new ATOM 38 N ASP A 4 -15.897 -18.397 -3.344 1.00 0.00 N ATOM 39 CA ASP A 4 -15.755 -19.803 -3.705 1.00 0.00 C ATOM 40 C ASP A 4 -14.310 -20.128 -4.072 1.00 0.00 C ATOM 41 O ASP A 4 -13.824 -21.228 -3.809 1.00 0.00 O ATOM 42 CB ASP A 4 -16.682 -20.147 -4.873 1.00 0.00 C ATOM 43 CG ASP A 4 -17.427 -21.449 -4.655 1.00 0.00 C ATOM 44 OD1 ASP A 4 -16.763 -22.502 -4.548 1.00 0.00 O ATOM 45 OD2 ASP A 4 -18.673 -21.417 -4.593 1.00 0.00 O ATOM 0 H ASP A 4 -15.751 -17.746 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.034 -20.405 -2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.401 -19.339 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.097 -20.216 -5.790 1.00 0.00 H new ATOM 50 N ARG A 5 -13.628 -19.163 -4.682 1.00 0.00 N ATOM 51 CA ARG A 5 -12.238 -19.350 -5.083 1.00 0.00 C ATOM 52 C ARG A 5 -11.423 -18.086 -4.837 1.00 0.00 C ATOM 53 O ARG A 5 -10.563 -18.050 -3.957 1.00 0.00 O ATOM 54 CB ARG A 5 -12.161 -19.745 -6.561 1.00 0.00 C ATOM 55 CG ARG A 5 -11.684 -21.172 -6.782 1.00 0.00 C ATOM 56 CD ARG A 5 -10.669 -21.258 -7.913 1.00 0.00 C ATOM 57 NE ARG A 5 -9.368 -21.728 -7.445 1.00 0.00 N ATOM 58 CZ ARG A 5 -9.150 -22.949 -6.963 1.00 0.00 C ATOM 59 NH1 ARG A 5 -10.144 -23.825 -6.882 1.00 0.00 N ATOM 60 NH2 ARG A 5 -7.935 -23.295 -6.560 1.00 0.00 N ATOM 0 H ARG A 5 -14.014 -18.247 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.816 -20.152 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.146 -19.625 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.488 -19.061 -7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.238 -21.553 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.538 -21.810 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.042 -21.932 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.556 -20.277 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.580 -21.082 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.081 -23.564 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.971 -24.760 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.168 -22.625 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.767 -24.231 -6.190 1.00 0.00 H new ATOM 74 N LYS A 6 -11.699 -17.052 -5.621 1.00 0.00 N ATOM 75 CA LYS A 6 -10.990 -15.783 -5.494 1.00 0.00 C ATOM 76 C LYS A 6 -9.510 -15.960 -5.820 1.00 0.00 C ATOM 77 O LYS A 6 -8.825 -16.779 -5.209 1.00 0.00 O ATOM 78 CB LYS A 6 -11.149 -15.217 -4.080 1.00 0.00 C ATOM 79 CG LYS A 6 -12.557 -15.340 -3.521 1.00 0.00 C ATOM 80 CD LYS A 6 -13.335 -14.045 -3.689 1.00 0.00 C ATOM 81 CE LYS A 6 -14.334 -13.841 -2.561 1.00 0.00 C ATOM 82 NZ LYS A 6 -14.331 -12.438 -2.063 1.00 0.00 N ATOM 0 H LYS A 6 -12.409 -17.066 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.424 -15.080 -6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.458 -15.733 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.862 -14.166 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.082 -16.150 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.509 -15.603 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.642 -13.205 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.861 -14.057 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.334 -14.100 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.098 -14.518 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.311 -12.114 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.828 -12.393 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.853 -11.825 -2.754 1.00 0.00 H new ATOM 96 N ILE A 7 -9.025 -15.191 -6.789 1.00 0.00 N ATOM 97 CA ILE A 7 -7.625 -15.269 -7.195 1.00 0.00 C ATOM 98 C ILE A 7 -6.689 -14.862 -6.060 1.00 0.00 C ATOM 99 O ILE A 7 -5.509 -15.213 -6.062 1.00 0.00 O ATOM 100 CB ILE A 7 -7.339 -14.383 -8.423 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.994 -13.012 -8.261 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.827 -15.063 -9.693 1.00 0.00 C ATOM 103 CD1 ILE A 7 -7.369 -11.935 -9.121 1.00 0.00 C ATOM 0 H ILE A 7 -9.578 -14.508 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.438 -16.311 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.261 -14.239 -8.501 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.053 -13.093 -8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.933 -12.711 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.618 -14.424 -10.551 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.313 -16.016 -9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.901 -15.236 -9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.885 -10.990 -8.953 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.317 -11.825 -8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.454 -12.213 -10.171 1.00 0.00 H new ATOM 115 N PHE A 8 -7.220 -14.125 -5.089 1.00 0.00 N ATOM 116 CA PHE A 8 -6.427 -13.679 -3.950 1.00 0.00 C ATOM 117 C PHE A 8 -6.565 -14.659 -2.789 1.00 0.00 C ATOM 118 O PHE A 8 -5.571 -15.099 -2.212 1.00 0.00 O ATOM 119 CB PHE A 8 -6.865 -12.279 -3.509 1.00 0.00 C ATOM 120 CG PHE A 8 -6.411 -11.167 -4.420 1.00 0.00 C ATOM 121 CD1 PHE A 8 -6.046 -11.419 -5.737 1.00 0.00 C ATOM 122 CD2 PHE A 8 -6.353 -9.863 -3.955 1.00 0.00 C ATOM 123 CE1 PHE A 8 -5.635 -10.391 -6.566 1.00 0.00 C ATOM 124 CE2 PHE A 8 -5.942 -8.834 -4.779 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.583 -9.097 -6.085 1.00 0.00 C ATOM 0 H PHE A 8 -8.195 -13.825 -5.069 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.381 -13.640 -4.254 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.953 -12.256 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.481 -12.091 -2.507 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.084 -12.429 -6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.633 -9.649 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.355 -10.600 -7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.902 -7.823 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.262 -8.293 -6.730 1.00 0.00 H new ATOM 135 N ARG A 9 -7.808 -15.000 -2.457 1.00 0.00 N ATOM 136 CA ARG A 9 -8.094 -15.934 -1.370 1.00 0.00 C ATOM 137 C ARG A 9 -7.259 -15.619 -0.133 1.00 0.00 C ATOM 138 O ARG A 9 -6.150 -16.129 0.026 1.00 0.00 O ATOM 139 CB ARG A 9 -7.836 -17.372 -1.824 1.00 0.00 C ATOM 140 CG ARG A 9 -8.140 -18.412 -0.758 1.00 0.00 C ATOM 141 CD ARG A 9 -7.306 -19.670 -0.950 1.00 0.00 C ATOM 142 NE ARG A 9 -6.355 -19.868 0.143 1.00 0.00 N ATOM 143 CZ ARG A 9 -6.714 -20.115 1.401 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.997 -20.194 1.730 1.00 0.00 N ATOM 145 NH2 ARG A 9 -5.785 -20.282 2.334 1.00 0.00 N ATOM 0 H ARG A 9 -8.638 -14.641 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.146 -15.825 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.442 -17.580 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.793 -17.467 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.944 -17.991 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.199 -18.668 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.965 -20.535 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.765 -19.606 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.359 -19.814 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.715 -20.065 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.265 -20.384 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.797 -20.221 2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.059 -20.471 3.298 1.00 0.00 H new ATOM 159 N GLY A 10 -7.800 -14.776 0.737 1.00 0.00 N ATOM 160 CA GLY A 10 -7.091 -14.406 1.947 1.00 0.00 C ATOM 161 C GLY A 10 -6.026 -13.362 1.692 1.00 0.00 C ATOM 162 O GLY A 10 -4.835 -13.673 1.658 1.00 0.00 O ATOM 0 H GLY A 10 -8.716 -14.342 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.802 -14.025 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.630 -15.293 2.381 1.00 0.00 H new ATOM 166 N LEU A 11 -6.457 -12.123 1.505 1.00 0.00 N ATOM 167 CA LEU A 11 -5.536 -11.025 1.244 1.00 0.00 C ATOM 168 C LEU A 11 -6.005 -9.744 1.924 1.00 0.00 C ATOM 169 O LEU A 11 -7.183 -9.600 2.254 1.00 0.00 O ATOM 170 CB LEU A 11 -5.402 -10.802 -0.263 1.00 0.00 C ATOM 171 CG LEU A 11 -3.989 -10.981 -0.823 1.00 0.00 C ATOM 172 CD1 LEU A 11 -4.031 -11.714 -2.152 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.309 -9.633 -0.981 1.00 0.00 C ATOM 0 H LEU A 11 -7.440 -11.852 1.529 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.562 -11.291 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.070 -11.493 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.744 -9.794 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.412 -11.580 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.017 -11.832 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.482 -12.696 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.624 -11.141 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.305 -9.777 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.887 -9.012 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.247 -9.141 -0.010 1.00 0.00 H new ATOM 185 N GLU A 12 -5.078 -8.815 2.124 1.00 0.00 N ATOM 186 CA GLU A 12 -5.394 -7.542 2.758 1.00 0.00 C ATOM 187 C GLU A 12 -4.609 -6.411 2.105 1.00 0.00 C ATOM 188 O GLU A 12 -3.390 -6.324 2.253 1.00 0.00 O ATOM 189 CB GLU A 12 -5.084 -7.599 4.254 1.00 0.00 C ATOM 190 CG GLU A 12 -6.096 -8.400 5.056 1.00 0.00 C ATOM 191 CD GLU A 12 -5.965 -8.177 6.549 1.00 0.00 C ATOM 192 OE1 GLU A 12 -4.828 -8.245 7.063 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.999 -7.930 7.206 1.00 0.00 O ATOM 0 H GLU A 12 -4.100 -8.920 1.856 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.459 -7.350 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.095 -8.035 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.044 -6.583 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.103 -8.128 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.969 -9.460 4.838 1.00 0.00 H new ATOM 200 N ILE A 13 -5.310 -5.551 1.375 1.00 0.00 N ATOM 201 CA ILE A 13 -4.668 -4.432 0.694 1.00 0.00 C ATOM 202 C ILE A 13 -5.255 -3.097 1.135 1.00 0.00 C ATOM 203 O ILE A 13 -6.465 -2.883 1.063 1.00 0.00 O ATOM 204 CB ILE A 13 -4.805 -4.551 -0.836 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.503 -5.981 -1.296 1.00 0.00 C ATOM 206 CG2 ILE A 13 -3.880 -3.560 -1.526 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.631 -6.611 -2.082 1.00 0.00 C ATOM 0 H ILE A 13 -6.319 -5.606 1.240 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.613 -4.469 0.967 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.833 -4.316 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.602 -5.975 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.290 -6.598 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.987 -3.654 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.142 -2.546 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.848 -3.768 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.349 -7.622 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.528 -6.649 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.830 -6.016 -2.974 1.00 0.00 H new ATOM 219 N CYS A 14 -4.387 -2.200 1.587 1.00 0.00 N ATOM 220 CA CYS A 14 -4.812 -0.880 2.032 1.00 0.00 C ATOM 221 C CYS A 14 -4.540 0.170 0.963 1.00 0.00 C ATOM 222 O CYS A 14 -3.540 0.099 0.248 1.00 0.00 O ATOM 223 CB CYS A 14 -4.098 -0.500 3.328 1.00 0.00 C ATOM 224 SG CYS A 14 -2.297 -0.624 3.241 1.00 0.00 S ATOM 0 H CYS A 14 -3.383 -2.364 1.655 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.886 -0.916 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.369 0.522 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.458 -1.144 4.131 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.899 -1.649 3.934 1.00 0.00 H new ATOM 230 N CYS A 15 -5.435 1.145 0.860 1.00 0.00 N ATOM 231 CA CYS A 15 -5.292 2.213 -0.120 1.00 0.00 C ATOM 232 C CYS A 15 -4.763 3.484 0.537 1.00 0.00 C ATOM 233 O CYS A 15 -5.503 4.202 1.212 1.00 0.00 O ATOM 234 CB CYS A 15 -6.634 2.491 -0.802 1.00 0.00 C ATOM 235 SG CYS A 15 -7.968 2.925 0.337 1.00 0.00 S ATOM 0 H CYS A 15 -6.268 1.218 1.444 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.573 1.891 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.504 3.303 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -6.929 1.609 -1.371 1.00 0.00 H new ATOM 0 HG CYS A 15 -7.492 3.648 1.307 1.00 0.00 H new ATOM 241 N TYR A 16 -3.477 3.754 0.339 1.00 0.00 N ATOM 242 CA TYR A 16 -2.846 4.937 0.915 1.00 0.00 C ATOM 243 C TYR A 16 -2.864 6.096 -0.075 1.00 0.00 C ATOM 244 O TYR A 16 -2.585 5.917 -1.261 1.00 0.00 O ATOM 245 CB TYR A 16 -1.406 4.620 1.324 1.00 0.00 C ATOM 246 CG TYR A 16 -0.807 5.636 2.270 1.00 0.00 C ATOM 247 CD1 TYR A 16 -1.292 5.780 3.563 1.00 0.00 C ATOM 248 CD2 TYR A 16 0.246 6.449 1.870 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.746 6.707 4.431 1.00 0.00 C ATOM 250 CE2 TYR A 16 0.798 7.377 2.731 1.00 0.00 C ATOM 251 CZ TYR A 16 0.299 7.503 4.011 1.00 0.00 C ATOM 252 OH TYR A 16 0.846 8.426 4.871 1.00 0.00 O ATOM 0 H TYR A 16 -2.851 3.170 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.412 5.230 1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.379 3.637 1.795 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.788 4.561 0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.109 5.158 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.640 6.354 0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.136 6.807 5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.616 8.001 2.404 1.00 0.00 H new ATOM 0 HH TYR A 16 1.573 8.903 4.419 1.00 0.00 H new ATOM 262 N GLY A 17 -3.196 7.285 0.419 1.00 0.00 N ATOM 263 CA GLY A 17 -3.247 8.453 -0.435 1.00 0.00 C ATOM 264 C GLY A 17 -4.596 8.615 -1.109 1.00 0.00 C ATOM 265 O GLY A 17 -5.235 7.625 -1.459 1.00 0.00 O ATOM 0 H GLY A 17 -3.430 7.458 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.030 9.342 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.470 8.378 -1.196 1.00 0.00 H new ATOM 269 N PRO A 18 -5.064 9.860 -1.304 1.00 0.00 N ATOM 270 CA PRO A 18 -6.356 10.133 -1.944 1.00 0.00 C ATOM 271 C PRO A 18 -6.382 9.731 -3.420 1.00 0.00 C ATOM 272 O PRO A 18 -7.439 9.742 -4.051 1.00 0.00 O ATOM 273 CB PRO A 18 -6.524 11.654 -1.814 1.00 0.00 C ATOM 274 CG PRO A 18 -5.495 12.093 -0.826 1.00 0.00 C ATOM 275 CD PRO A 18 -4.376 11.096 -0.910 1.00 0.00 C ATOM 0 HA PRO A 18 -7.155 9.559 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.379 12.147 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.527 11.909 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.139 13.097 -1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.912 12.125 0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.626 11.392 -1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.862 10.985 0.045 1.00 0.00 H new ATOM 283 N PHE A 19 -5.216 9.389 -3.969 1.00 0.00 N ATOM 284 CA PHE A 19 -5.109 8.997 -5.374 1.00 0.00 C ATOM 285 C PHE A 19 -5.394 10.182 -6.287 1.00 0.00 C ATOM 286 O PHE A 19 -4.482 10.754 -6.885 1.00 0.00 O ATOM 287 CB PHE A 19 -6.069 7.845 -5.697 1.00 0.00 C ATOM 288 CG PHE A 19 -5.772 6.581 -4.941 1.00 0.00 C ATOM 289 CD1 PHE A 19 -6.172 6.439 -3.625 1.00 0.00 C ATOM 290 CD2 PHE A 19 -5.090 5.538 -5.548 1.00 0.00 C ATOM 291 CE1 PHE A 19 -5.899 5.281 -2.924 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.814 4.376 -4.853 1.00 0.00 C ATOM 293 CZ PHE A 19 -5.218 4.246 -3.538 1.00 0.00 C ATOM 0 H PHE A 19 -4.332 9.376 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.088 8.657 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.088 8.160 -5.474 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.026 7.637 -6.766 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.704 7.244 -3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.771 5.635 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.217 5.184 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.283 3.570 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.003 3.339 -2.992 1.00 0.00 H new ATOM 303 N THR A 20 -6.665 10.546 -6.387 1.00 0.00 N ATOM 304 CA THR A 20 -7.081 11.666 -7.224 1.00 0.00 C ATOM 305 C THR A 20 -8.377 12.277 -6.703 1.00 0.00 C ATOM 306 O THR A 20 -8.371 13.347 -6.095 1.00 0.00 O ATOM 307 CB THR A 20 -7.264 11.208 -8.672 1.00 0.00 C ATOM 308 OG1 THR A 20 -8.140 10.098 -8.740 1.00 0.00 O ATOM 309 CG2 THR A 20 -5.967 10.811 -9.342 1.00 0.00 C ATOM 0 H THR A 20 -7.429 10.081 -5.897 1.00 0.00 H new ATOM 0 HA THR A 20 -6.300 12.426 -7.189 1.00 0.00 H new ATOM 0 HB THR A 20 -7.677 12.069 -9.197 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.245 9.821 -9.674 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.168 10.497 -10.366 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.286 11.662 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.511 9.988 -8.793 1.00 0.00 H new ATOM 317 N ASN A 21 -9.488 11.588 -6.947 1.00 0.00 N ATOM 318 CA ASN A 21 -10.796 12.057 -6.502 1.00 0.00 C ATOM 319 C ASN A 21 -11.895 11.102 -6.962 1.00 0.00 C ATOM 320 O ASN A 21 -12.974 11.530 -7.367 1.00 0.00 O ATOM 321 CB ASN A 21 -11.068 13.467 -7.037 1.00 0.00 C ATOM 322 CG ASN A 21 -11.492 14.428 -5.944 1.00 0.00 C ATOM 323 OD1 ASN A 21 -10.984 15.545 -5.852 1.00 0.00 O ATOM 324 ND2 ASN A 21 -12.429 13.997 -5.107 1.00 0.00 N ATOM 0 H ASN A 21 -9.508 10.702 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.795 12.088 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.170 13.848 -7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.847 13.420 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.754 14.600 -4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.823 13.063 -5.220 1.00 0.00 H new ATOM 331 N MET A 22 -11.607 9.806 -6.896 1.00 0.00 N ATOM 332 CA MET A 22 -12.567 8.788 -7.306 1.00 0.00 C ATOM 333 C MET A 22 -12.052 7.387 -6.978 1.00 0.00 C ATOM 334 O MET A 22 -12.662 6.663 -6.191 1.00 0.00 O ATOM 335 CB MET A 22 -12.856 8.903 -8.806 1.00 0.00 C ATOM 336 CG MET A 22 -14.080 9.746 -9.127 1.00 0.00 C ATOM 337 SD MET A 22 -14.960 9.163 -10.589 1.00 0.00 S ATOM 338 CE MET A 22 -14.754 10.563 -11.687 1.00 0.00 C ATOM 0 H MET A 22 -10.717 9.436 -6.563 1.00 0.00 H new ATOM 0 HA MET A 22 -13.491 8.952 -6.752 1.00 0.00 H new ATOM 0 HB2 MET A 22 -11.987 9.335 -9.303 1.00 0.00 H new ATOM 0 HB3 MET A 22 -12.995 7.904 -9.218 1.00 0.00 H new ATOM 0 HG2 MET A 22 -14.757 9.737 -8.273 1.00 0.00 H new ATOM 0 HG3 MET A 22 -13.774 10.781 -9.280 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.245 10.355 -12.638 1.00 0.00 H new ATOM 0 HE2 MET A 22 -15.199 11.449 -11.234 1.00 0.00 H new ATOM 0 HE3 MET A 22 -13.692 10.738 -11.858 1.00 0.00 H new ATOM 348 N PRO A 23 -10.919 6.980 -7.582 1.00 0.00 N ATOM 349 CA PRO A 23 -10.333 5.656 -7.346 1.00 0.00 C ATOM 350 C PRO A 23 -9.890 5.464 -5.899 1.00 0.00 C ATOM 351 O PRO A 23 -8.746 5.754 -5.545 1.00 0.00 O ATOM 352 CB PRO A 23 -9.124 5.618 -8.287 1.00 0.00 C ATOM 353 CG PRO A 23 -8.809 7.046 -8.567 1.00 0.00 C ATOM 354 CD PRO A 23 -10.124 7.770 -8.539 1.00 0.00 C ATOM 0 HA PRO A 23 -11.054 4.859 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.278 5.111 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.355 5.077 -9.205 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.125 7.449 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.323 7.156 -9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.009 8.803 -8.211 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.590 7.798 -9.524 1.00 0.00 H new ATOM 362 N THR A 24 -10.802 4.969 -5.070 1.00 0.00 N ATOM 363 CA THR A 24 -10.511 4.730 -3.660 1.00 0.00 C ATOM 364 C THR A 24 -11.405 3.627 -3.106 1.00 0.00 C ATOM 365 O THR A 24 -10.922 2.633 -2.559 1.00 0.00 O ATOM 366 CB THR A 24 -10.699 6.015 -2.848 1.00 0.00 C ATOM 367 OG1 THR A 24 -11.278 7.035 -3.644 1.00 0.00 O ATOM 368 CG2 THR A 24 -9.405 6.559 -2.279 1.00 0.00 C ATOM 0 H THR A 24 -11.752 4.725 -5.350 1.00 0.00 H new ATOM 0 HA THR A 24 -9.472 4.411 -3.577 1.00 0.00 H new ATOM 0 HB THR A 24 -11.355 5.739 -2.022 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.391 7.846 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.610 7.469 -1.715 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.957 5.816 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.716 6.783 -3.093 1.00 0.00 H new ATOM 376 N ASP A 25 -12.713 3.799 -3.268 1.00 0.00 N ATOM 377 CA ASP A 25 -13.675 2.812 -2.798 1.00 0.00 C ATOM 378 C ASP A 25 -13.850 1.719 -3.841 1.00 0.00 C ATOM 379 O ASP A 25 -14.176 0.578 -3.521 1.00 0.00 O ATOM 380 CB ASP A 25 -15.022 3.476 -2.499 1.00 0.00 C ATOM 381 CG ASP A 25 -15.587 4.202 -3.703 1.00 0.00 C ATOM 382 OD1 ASP A 25 -14.943 5.164 -4.174 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.675 3.812 -4.177 1.00 0.00 O ATOM 0 H ASP A 25 -13.130 4.612 -3.721 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.297 2.367 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.732 2.718 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.902 4.181 -1.676 1.00 0.00 H new ATOM 388 N GLN A 26 -13.614 2.085 -5.096 1.00 0.00 N ATOM 389 CA GLN A 26 -13.722 1.150 -6.200 1.00 0.00 C ATOM 390 C GLN A 26 -12.509 0.226 -6.232 1.00 0.00 C ATOM 391 O GLN A 26 -12.587 -0.905 -6.707 1.00 0.00 O ATOM 392 CB GLN A 26 -13.837 1.919 -7.515 1.00 0.00 C ATOM 393 CG GLN A 26 -14.852 1.331 -8.478 1.00 0.00 C ATOM 394 CD GLN A 26 -14.518 1.621 -9.928 1.00 0.00 C ATOM 395 OE1 GLN A 26 -14.012 0.758 -10.647 1.00 0.00 O ATOM 396 NE2 GLN A 26 -14.798 2.843 -10.367 1.00 0.00 N ATOM 0 H GLN A 26 -13.345 3.030 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.615 0.540 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -14.110 2.952 -7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.861 1.942 -7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.905 0.252 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.839 1.733 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.217 3.527 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.594 3.097 -11.334 1.00 0.00 H new ATOM 405 N LEU A 27 -11.387 0.720 -5.714 1.00 0.00 N ATOM 406 CA LEU A 27 -10.155 -0.056 -5.673 1.00 0.00 C ATOM 407 C LEU A 27 -10.239 -1.138 -4.604 1.00 0.00 C ATOM 408 O LEU A 27 -9.935 -2.303 -4.864 1.00 0.00 O ATOM 409 CB LEU A 27 -8.959 0.861 -5.403 1.00 0.00 C ATOM 410 CG LEU A 27 -7.583 0.227 -5.618 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.280 -0.781 -4.519 1.00 0.00 C ATOM 412 CD2 LEU A 27 -7.505 -0.434 -6.986 1.00 0.00 C ATOM 0 H LEU A 27 -11.308 1.656 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.018 -0.536 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.041 1.736 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.020 1.216 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.833 1.016 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.297 -1.221 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.290 -0.279 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.036 -1.567 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.519 -0.879 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.266 -1.211 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.674 0.313 -7.761 1.00 0.00 H new ATOM 424 N GLU A 28 -10.657 -0.752 -3.402 1.00 0.00 N ATOM 425 CA GLU A 28 -10.780 -1.706 -2.306 1.00 0.00 C ATOM 426 C GLU A 28 -11.864 -2.735 -2.607 1.00 0.00 C ATOM 427 O GLU A 28 -11.799 -3.872 -2.141 1.00 0.00 O ATOM 428 CB GLU A 28 -11.078 -0.986 -0.991 1.00 0.00 C ATOM 429 CG GLU A 28 -12.142 0.090 -1.109 1.00 0.00 C ATOM 430 CD GLU A 28 -13.104 0.091 0.063 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.403 -1.003 0.586 1.00 0.00 O ATOM 432 OE2 GLU A 28 -13.557 1.185 0.458 1.00 0.00 O ATOM 0 H GLU A 28 -10.914 0.206 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.828 -2.228 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.397 -1.719 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.158 -0.535 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.661 1.065 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.701 -0.057 -2.033 1.00 0.00 H new ATOM 439 N TRP A 29 -12.846 -2.338 -3.407 1.00 0.00 N ATOM 440 CA TRP A 29 -13.922 -3.241 -3.788 1.00 0.00 C ATOM 441 C TRP A 29 -13.383 -4.293 -4.748 1.00 0.00 C ATOM 442 O TRP A 29 -13.591 -5.493 -4.565 1.00 0.00 O ATOM 443 CB TRP A 29 -15.065 -2.457 -4.444 1.00 0.00 C ATOM 444 CG TRP A 29 -15.891 -3.274 -5.393 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.754 -4.276 -5.065 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.923 -3.167 -6.821 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.330 -4.794 -6.200 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.835 -4.129 -7.291 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.272 -2.347 -7.748 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.112 -4.295 -8.646 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.547 -2.512 -9.092 1.00 0.00 C ATOM 452 CH2 TRP A 29 -16.461 -3.479 -9.530 1.00 0.00 C ATOM 0 H TRP A 29 -12.919 -1.401 -3.802 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.311 -3.734 -2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.713 -2.057 -3.664 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.648 -1.605 -4.981 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -16.956 -4.614 -4.059 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.014 -5.550 -6.226 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.567 -1.598 -7.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.815 -5.041 -8.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.049 -1.885 -9.817 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.656 -3.582 -10.587 1.00 0.00 H new ATOM 463 N MET A 30 -12.682 -3.821 -5.769 1.00 0.00 N ATOM 464 CA MET A 30 -12.092 -4.698 -6.772 1.00 0.00 C ATOM 465 C MET A 30 -11.209 -5.754 -6.115 1.00 0.00 C ATOM 466 O MET A 30 -11.329 -6.943 -6.410 1.00 0.00 O ATOM 467 CB MET A 30 -11.278 -3.877 -7.774 1.00 0.00 C ATOM 468 CG MET A 30 -12.126 -3.209 -8.843 1.00 0.00 C ATOM 469 SD MET A 30 -11.152 -2.652 -10.255 1.00 0.00 S ATOM 470 CE MET A 30 -10.105 -1.421 -9.482 1.00 0.00 C ATOM 0 H MET A 30 -12.507 -2.828 -5.926 1.00 0.00 H new ATOM 0 HA MET A 30 -12.897 -5.207 -7.301 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.719 -3.112 -7.235 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.547 -4.527 -8.255 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.889 -3.908 -9.186 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.648 -2.357 -8.407 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.000 -0.563 -10.147 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.554 -1.099 -8.543 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.123 -1.850 -9.286 1.00 0.00 H new ATOM 480 N VAL A 31 -10.332 -5.321 -5.210 1.00 0.00 N ATOM 481 CA VAL A 31 -9.454 -6.250 -4.510 1.00 0.00 C ATOM 482 C VAL A 31 -10.283 -7.228 -3.691 1.00 0.00 C ATOM 483 O VAL A 31 -10.043 -8.436 -3.702 1.00 0.00 O ATOM 484 CB VAL A 31 -8.469 -5.518 -3.576 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.503 -4.660 -4.377 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.214 -4.667 -2.564 1.00 0.00 C ATOM 0 H VAL A 31 -10.213 -4.342 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.876 -6.783 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.896 -6.272 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.818 -4.153 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.936 -5.292 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.062 -3.919 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.498 -4.161 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.818 -3.925 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.862 -5.303 -1.961 1.00 0.00 H new ATOM 496 N GLN A 32 -11.272 -6.686 -2.993 1.00 0.00 N ATOM 497 CA GLN A 32 -12.169 -7.485 -2.168 1.00 0.00 C ATOM 498 C GLN A 32 -12.885 -8.531 -3.018 1.00 0.00 C ATOM 499 O GLN A 32 -13.146 -9.646 -2.565 1.00 0.00 O ATOM 500 CB GLN A 32 -13.193 -6.573 -1.484 1.00 0.00 C ATOM 501 CG GLN A 32 -12.924 -6.353 -0.005 1.00 0.00 C ATOM 502 CD GLN A 32 -13.655 -5.143 0.545 1.00 0.00 C ATOM 503 OE1 GLN A 32 -13.782 -4.122 -0.129 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.139 -5.254 1.777 1.00 0.00 N ATOM 0 H GLN A 32 -11.475 -5.686 -2.982 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.582 -8.000 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.202 -5.608 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.187 -7.004 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.226 -7.240 0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.853 -6.228 0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.010 -6.120 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.640 -4.473 2.201 1.00 0.00 H new ATOM 513 N LEU A 33 -13.201 -8.155 -4.252 1.00 0.00 N ATOM 514 CA LEU A 33 -13.888 -9.046 -5.180 1.00 0.00 C ATOM 515 C LEU A 33 -12.978 -10.184 -5.637 1.00 0.00 C ATOM 516 O LEU A 33 -13.454 -11.227 -6.086 1.00 0.00 O ATOM 517 CB LEU A 33 -14.377 -8.252 -6.394 1.00 0.00 C ATOM 518 CG LEU A 33 -15.246 -9.037 -7.376 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.458 -9.617 -6.666 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.677 -8.148 -8.533 1.00 0.00 C ATOM 0 H LEU A 33 -12.991 -7.233 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.740 -9.484 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.943 -7.390 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.510 -7.866 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.657 -9.861 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.066 -10.173 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.128 -10.286 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.050 -8.808 -6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.295 -8.723 -9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.250 -7.304 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.795 -7.780 -9.057 1.00 0.00 H new ATOM 532 N CYS A 34 -11.670 -9.975 -5.530 1.00 0.00 N ATOM 533 CA CYS A 34 -10.696 -10.982 -5.943 1.00 0.00 C ATOM 534 C CYS A 34 -10.260 -11.866 -4.776 1.00 0.00 C ATOM 535 O CYS A 34 -9.488 -12.807 -4.961 1.00 0.00 O ATOM 536 CB CYS A 34 -9.473 -10.304 -6.563 1.00 0.00 C ATOM 537 SG CYS A 34 -9.876 -9.060 -7.811 1.00 0.00 S ATOM 0 H CYS A 34 -11.259 -9.118 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.178 -11.621 -6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.890 -9.834 -5.771 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.839 -11.066 -7.016 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.784 -8.255 -7.344 1.00 0.00 H new ATOM 543 N GLY A 35 -10.751 -11.564 -3.577 1.00 0.00 N ATOM 544 CA GLY A 35 -10.391 -12.349 -2.409 1.00 0.00 C ATOM 545 C GLY A 35 -9.482 -11.595 -1.462 1.00 0.00 C ATOM 546 O GLY A 35 -8.645 -12.193 -0.785 1.00 0.00 O ATOM 0 H GLY A 35 -11.391 -10.791 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.297 -12.644 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.896 -13.266 -2.730 1.00 0.00 H new ATOM 550 N ALA A 36 -9.645 -10.280 -1.415 1.00 0.00 N ATOM 551 CA ALA A 36 -8.836 -9.438 -0.546 1.00 0.00 C ATOM 552 C ALA A 36 -9.696 -8.754 0.507 1.00 0.00 C ATOM 553 O ALA A 36 -10.921 -8.874 0.501 1.00 0.00 O ATOM 554 CB ALA A 36 -8.082 -8.402 -1.369 1.00 0.00 C ATOM 0 H ALA A 36 -10.333 -9.772 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.115 -10.073 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.481 -7.779 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.431 -8.908 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.794 -7.777 -1.908 1.00 0.00 H new ATOM 560 N SER A 37 -9.043 -8.033 1.408 1.00 0.00 N ATOM 561 CA SER A 37 -9.741 -7.322 2.468 1.00 0.00 C ATOM 562 C SER A 37 -9.231 -5.890 2.573 1.00 0.00 C ATOM 563 O SER A 37 -8.026 -5.655 2.658 1.00 0.00 O ATOM 564 CB SER A 37 -9.560 -8.047 3.805 1.00 0.00 C ATOM 565 OG SER A 37 -10.809 -8.273 4.435 1.00 0.00 O ATOM 0 H SER A 37 -8.029 -7.925 1.425 1.00 0.00 H new ATOM 0 HA SER A 37 -10.803 -7.297 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.054 -8.999 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.921 -7.455 4.460 1.00 0.00 H new ATOM 0 HG SER A 37 -10.667 -8.739 5.286 1.00 0.00 H new ATOM 571 N VAL A 38 -10.154 -4.936 2.568 1.00 0.00 N ATOM 572 CA VAL A 38 -9.790 -3.530 2.662 1.00 0.00 C ATOM 573 C VAL A 38 -9.302 -3.196 4.067 1.00 0.00 C ATOM 574 O VAL A 38 -10.054 -3.297 5.036 1.00 0.00 O ATOM 575 CB VAL A 38 -10.975 -2.616 2.296 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.134 -2.820 3.261 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.540 -1.159 2.273 1.00 0.00 C ATOM 0 H VAL A 38 -11.157 -5.111 2.500 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.985 -3.353 1.949 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.318 -2.885 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.959 -2.164 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.465 -3.858 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.809 -2.584 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.391 -0.529 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.166 -0.875 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.751 -1.027 1.533 1.00 0.00 H new ATOM 587 N VAL A 39 -8.035 -2.809 4.169 1.00 0.00 N ATOM 588 CA VAL A 39 -7.440 -2.474 5.457 1.00 0.00 C ATOM 589 C VAL A 39 -7.535 -0.976 5.729 1.00 0.00 C ATOM 590 O VAL A 39 -7.012 -0.162 4.968 1.00 0.00 O ATOM 591 CB VAL A 39 -5.960 -2.909 5.525 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.587 -3.325 6.936 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.674 -4.036 4.542 1.00 0.00 C ATOM 0 H VAL A 39 -7.401 -2.720 3.375 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.002 -3.016 6.218 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.347 -2.053 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.540 -3.628 6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.739 -2.486 7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.214 -4.161 7.247 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.624 -4.322 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.301 -4.895 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.892 -3.699 3.529 1.00 0.00 H new ATOM 603 N LYS A 40 -8.206 -0.620 6.820 1.00 0.00 N ATOM 604 CA LYS A 40 -8.373 0.780 7.196 1.00 0.00 C ATOM 605 C LYS A 40 -7.022 1.471 7.354 1.00 0.00 C ATOM 606 O LYS A 40 -6.883 2.657 7.059 1.00 0.00 O ATOM 607 CB LYS A 40 -9.169 0.889 8.498 1.00 0.00 C ATOM 608 CG LYS A 40 -10.588 0.354 8.392 1.00 0.00 C ATOM 609 CD LYS A 40 -10.661 -1.113 8.783 1.00 0.00 C ATOM 610 CE LYS A 40 -11.904 -1.410 9.607 1.00 0.00 C ATOM 611 NZ LYS A 40 -11.776 -2.687 10.363 1.00 0.00 N ATOM 0 H LYS A 40 -8.644 -1.283 7.460 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.923 1.279 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.642 0.345 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.206 1.934 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.247 0.937 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.949 0.478 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.663 -1.730 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.772 -1.383 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.082 -0.591 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.772 -1.463 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.643 -2.854 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.632 -3.472 9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.963 -2.628 11.009 1.00 0.00 H new ATOM 625 N GLU A 41 -6.030 0.719 7.819 1.00 0.00 N ATOM 626 CA GLU A 41 -4.691 1.261 8.015 1.00 0.00 C ATOM 627 C GLU A 41 -3.643 0.155 7.960 1.00 0.00 C ATOM 628 O GLU A 41 -3.974 -1.023 7.816 1.00 0.00 O ATOM 629 CB GLU A 41 -4.605 1.994 9.355 1.00 0.00 C ATOM 630 CG GLU A 41 -5.239 3.376 9.333 1.00 0.00 C ATOM 631 CD GLU A 41 -4.428 4.403 10.099 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.498 4.987 9.504 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.721 4.621 11.293 1.00 0.00 O ATOM 0 H GLU A 41 -6.128 -0.266 8.067 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.491 1.967 7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.093 1.392 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.558 2.088 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.350 3.704 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.241 3.319 9.759 1.00 0.00 H new ATOM 640 N LEU A 42 -2.376 0.541 8.075 1.00 0.00 N ATOM 641 CA LEU A 42 -1.278 -0.416 8.037 1.00 0.00 C ATOM 642 C LEU A 42 -1.280 -1.298 9.282 1.00 0.00 C ATOM 643 O LEU A 42 -1.027 -2.500 9.205 1.00 0.00 O ATOM 644 CB LEU A 42 0.060 0.317 7.917 1.00 0.00 C ATOM 645 CG LEU A 42 0.116 1.388 6.827 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.318 2.297 7.032 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.161 0.743 5.450 1.00 0.00 C ATOM 0 H LEU A 42 -2.085 1.511 8.195 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.415 -1.054 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.289 0.783 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.843 -0.417 7.725 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.787 1.995 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.341 3.053 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.243 2.786 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.233 1.705 6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.201 1.519 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.046 0.112 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.732 0.135 5.304 1.00 0.00 H new ATOM 659 N SER A 43 -1.567 -0.692 10.429 1.00 0.00 N ATOM 660 CA SER A 43 -1.602 -1.422 11.693 1.00 0.00 C ATOM 661 C SER A 43 -2.802 -2.364 11.757 1.00 0.00 C ATOM 662 O SER A 43 -2.829 -3.292 12.565 1.00 0.00 O ATOM 663 CB SER A 43 -1.647 -0.443 12.868 1.00 0.00 C ATOM 664 OG SER A 43 -0.865 -0.911 13.952 1.00 0.00 O ATOM 0 H SER A 43 -1.779 0.302 10.510 1.00 0.00 H new ATOM 0 HA SER A 43 -0.694 -2.022 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.282 0.532 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.679 -0.306 13.192 1.00 0.00 H new ATOM 0 HG SER A 43 -0.909 -0.267 14.689 1.00 0.00 H new ATOM 670 N SER A 44 -3.795 -2.122 10.905 1.00 0.00 N ATOM 671 CA SER A 44 -4.995 -2.952 10.874 1.00 0.00 C ATOM 672 C SER A 44 -4.741 -4.282 10.162 1.00 0.00 C ATOM 673 O SER A 44 -5.621 -5.141 10.111 1.00 0.00 O ATOM 674 CB SER A 44 -6.137 -2.203 10.185 1.00 0.00 C ATOM 675 OG SER A 44 -6.933 -1.507 11.128 1.00 0.00 O ATOM 0 H SER A 44 -3.792 -1.359 10.228 1.00 0.00 H new ATOM 0 HA SER A 44 -5.274 -3.170 11.905 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.729 -1.499 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.757 -2.908 9.631 1.00 0.00 H new ATOM 0 HG SER A 44 -7.655 -1.035 10.662 1.00 0.00 H new ATOM 681 N PHE A 45 -3.539 -4.448 9.614 1.00 0.00 N ATOM 682 CA PHE A 45 -3.186 -5.676 8.909 1.00 0.00 C ATOM 683 C PHE A 45 -3.360 -6.894 9.811 1.00 0.00 C ATOM 684 O PHE A 45 -3.788 -6.772 10.959 1.00 0.00 O ATOM 685 CB PHE A 45 -1.743 -5.604 8.405 1.00 0.00 C ATOM 686 CG PHE A 45 -1.599 -4.881 7.096 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.471 -5.136 6.049 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.593 -3.947 6.913 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.342 -4.472 4.844 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.458 -3.280 5.711 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.335 -3.543 4.675 1.00 0.00 C ATOM 0 H PHE A 45 -2.796 -3.750 9.645 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.858 -5.779 8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.129 -5.106 9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.354 -6.616 8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.260 -5.862 6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.094 -3.738 7.720 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.028 -4.679 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.331 -2.554 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.232 -3.022 3.734 1.00 0.00 H new ATOM 701 N THR A 46 -3.026 -8.070 9.281 1.00 0.00 N ATOM 702 CA THR A 46 -3.140 -9.324 10.027 1.00 0.00 C ATOM 703 C THR A 46 -4.454 -9.396 10.803 1.00 0.00 C ATOM 704 O THR A 46 -4.515 -9.029 11.977 1.00 0.00 O ATOM 705 CB THR A 46 -1.955 -9.493 10.983 1.00 0.00 C ATOM 706 OG1 THR A 46 -2.168 -10.589 11.855 1.00 0.00 O ATOM 707 CG2 THR A 46 -1.686 -8.274 11.839 1.00 0.00 C ATOM 0 H THR A 46 -2.672 -8.181 8.331 1.00 0.00 H new ATOM 0 HA THR A 46 -3.130 -10.138 9.302 1.00 0.00 H new ATOM 0 HB THR A 46 -1.092 -9.657 10.338 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.400 -10.682 12.457 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.834 -8.468 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.466 -7.420 11.198 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.564 -8.055 12.446 1.00 0.00 H new ATOM 715 N LEU A 47 -5.502 -9.870 10.138 1.00 0.00 N ATOM 716 CA LEU A 47 -6.813 -9.991 10.763 1.00 0.00 C ATOM 717 C LEU A 47 -7.568 -11.199 10.217 1.00 0.00 C ATOM 718 O LEU A 47 -8.175 -11.133 9.149 1.00 0.00 O ATOM 719 CB LEU A 47 -7.630 -8.718 10.533 1.00 0.00 C ATOM 720 CG LEU A 47 -7.446 -7.630 11.593 1.00 0.00 C ATOM 721 CD1 LEU A 47 -7.987 -6.300 11.091 1.00 0.00 C ATOM 722 CD2 LEU A 47 -8.130 -8.030 12.891 1.00 0.00 C ATOM 0 H LEU A 47 -5.469 -10.177 9.166 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.665 -10.132 11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.364 -8.305 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.686 -8.985 10.488 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.380 -7.515 11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.848 -5.538 11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.452 -6.007 10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.049 -6.400 10.868 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.989 -7.245 13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.196 -8.173 12.712 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.696 -8.960 13.259 1.00 0.00 H new ATOM 734 N GLY A 48 -7.523 -12.303 10.956 1.00 0.00 N ATOM 735 CA GLY A 48 -8.205 -13.509 10.529 1.00 0.00 C ATOM 736 C GLY A 48 -7.389 -14.761 10.788 1.00 0.00 C ATOM 737 O GLY A 48 -7.152 -15.127 11.939 1.00 0.00 O ATOM 0 H GLY A 48 -7.026 -12.383 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.159 -13.587 11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.428 -13.439 9.464 1.00 0.00 H new ATOM 741 N THR A 49 -6.959 -15.416 9.715 1.00 0.00 N ATOM 742 CA THR A 49 -6.164 -16.633 9.832 1.00 0.00 C ATOM 743 C THR A 49 -4.996 -16.617 8.851 1.00 0.00 C ATOM 744 O THR A 49 -3.835 -16.557 9.254 1.00 0.00 O ATOM 745 CB THR A 49 -7.038 -17.864 9.581 1.00 0.00 C ATOM 746 OG1 THR A 49 -8.377 -17.615 9.969 1.00 0.00 O ATOM 747 CG2 THR A 49 -6.566 -19.095 10.323 1.00 0.00 C ATOM 0 H THR A 49 -7.147 -15.125 8.756 1.00 0.00 H new ATOM 0 HA THR A 49 -5.764 -16.679 10.845 1.00 0.00 H new ATOM 0 HB THR A 49 -6.966 -18.056 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.920 -18.413 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.230 -19.931 10.101 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.552 -19.343 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.575 -18.899 11.395 1.00 0.00 H new ATOM 755 N GLY A 50 -5.313 -16.667 7.561 1.00 0.00 N ATOM 756 CA GLY A 50 -4.280 -16.656 6.543 1.00 0.00 C ATOM 757 C GLY A 50 -4.518 -15.595 5.487 1.00 0.00 C ATOM 758 O GLY A 50 -5.198 -15.843 4.491 1.00 0.00 O ATOM 0 H GLY A 50 -6.267 -16.715 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.312 -16.485 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.234 -17.635 6.066 1.00 0.00 H new ATOM 762 N VAL A 51 -3.959 -14.409 5.706 1.00 0.00 N ATOM 763 CA VAL A 51 -4.116 -13.307 4.766 1.00 0.00 C ATOM 764 C VAL A 51 -2.779 -12.627 4.486 1.00 0.00 C ATOM 765 O VAL A 51 -1.966 -12.438 5.390 1.00 0.00 O ATOM 766 CB VAL A 51 -5.109 -12.255 5.295 1.00 0.00 C ATOM 767 CG1 VAL A 51 -6.515 -12.832 5.361 1.00 0.00 C ATOM 768 CG2 VAL A 51 -4.670 -11.744 6.659 1.00 0.00 C ATOM 0 H VAL A 51 -3.394 -14.187 6.526 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.505 -13.734 3.842 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.119 -11.413 4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.202 -12.074 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.828 -13.143 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.524 -13.693 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.384 -11.002 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.628 -12.575 7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.683 -11.288 6.576 1.00 0.00 H new ATOM 778 N HIS A 52 -2.557 -12.264 3.227 1.00 0.00 N ATOM 779 CA HIS A 52 -1.319 -11.603 2.828 1.00 0.00 C ATOM 780 C HIS A 52 -1.482 -10.084 2.852 1.00 0.00 C ATOM 781 O HIS A 52 -2.427 -9.547 2.272 1.00 0.00 O ATOM 782 CB HIS A 52 -0.900 -12.062 1.429 1.00 0.00 C ATOM 783 CG HIS A 52 0.566 -12.344 1.306 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.317 -12.891 2.324 1.00 0.00 N ATOM 785 CD2 HIS A 52 1.420 -12.153 0.272 1.00 0.00 C ATOM 786 CE1 HIS A 52 2.569 -13.023 1.924 1.00 0.00 C ATOM 787 NE2 HIS A 52 2.657 -12.583 0.682 1.00 0.00 N ATOM 0 H HIS A 52 -3.218 -12.416 2.465 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.542 -11.878 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.458 -12.961 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.176 -11.295 0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.173 -11.739 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.382 -13.423 2.512 1.00 0.00 H new ATOM 0 HE2 HIS A 52 3.507 -12.566 0.119 1.00 0.00 H new ATOM 796 N PRO A 53 -0.569 -9.366 3.531 1.00 0.00 N ATOM 797 CA PRO A 53 -0.628 -7.907 3.630 1.00 0.00 C ATOM 798 C PRO A 53 -0.066 -7.208 2.396 1.00 0.00 C ATOM 799 O PRO A 53 1.060 -7.476 1.974 1.00 0.00 O ATOM 800 CB PRO A 53 0.241 -7.617 4.850 1.00 0.00 C ATOM 801 CG PRO A 53 1.266 -8.698 4.838 1.00 0.00 C ATOM 802 CD PRO A 53 0.590 -9.918 4.264 1.00 0.00 C ATOM 0 HA PRO A 53 -1.652 -7.542 3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.702 -6.631 4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.345 -7.635 5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.127 -8.411 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.634 -8.895 5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.256 -10.470 3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.276 -10.608 5.048 1.00 0.00 H new ATOM 810 N ILE A 54 -0.858 -6.305 1.827 1.00 0.00 N ATOM 811 CA ILE A 54 -0.448 -5.554 0.646 1.00 0.00 C ATOM 812 C ILE A 54 -0.789 -4.075 0.802 1.00 0.00 C ATOM 813 O ILE A 54 -1.616 -3.706 1.637 1.00 0.00 O ATOM 814 CB ILE A 54 -1.130 -6.084 -0.631 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.153 -7.613 -0.639 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.424 -5.555 -1.870 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.217 -8.242 -0.509 1.00 0.00 C ATOM 0 H ILE A 54 -1.792 -6.075 2.167 1.00 0.00 H new ATOM 0 HA ILE A 54 0.630 -5.680 0.551 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.160 -5.728 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.783 -7.962 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.614 -7.956 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.918 -5.939 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.463 -4.466 -1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.616 -5.881 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.122 -9.328 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.844 -7.923 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.673 -7.929 0.430 1.00 0.00 H new ATOM 829 N VAL A 55 -0.151 -3.234 -0.003 1.00 0.00 N ATOM 830 CA VAL A 55 -0.392 -1.796 0.049 1.00 0.00 C ATOM 831 C VAL A 55 -0.446 -1.199 -1.351 1.00 0.00 C ATOM 832 O VAL A 55 0.342 -1.565 -2.223 1.00 0.00 O ATOM 833 CB VAL A 55 0.704 -1.070 0.857 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.367 0.406 1.013 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.898 -1.728 2.216 1.00 0.00 C ATOM 0 H VAL A 55 0.537 -3.522 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.354 -1.655 0.543 1.00 0.00 H new ATOM 0 HB VAL A 55 1.642 -1.148 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.152 0.900 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.291 0.868 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.583 0.509 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.675 -1.200 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.036 -1.688 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.194 -2.768 2.078 1.00 0.00 H new ATOM 845 N VAL A 56 -1.374 -0.271 -1.561 1.00 0.00 N ATOM 846 CA VAL A 56 -1.515 0.381 -2.856 1.00 0.00 C ATOM 847 C VAL A 56 -1.208 1.874 -2.740 1.00 0.00 C ATOM 848 O VAL A 56 -1.270 2.445 -1.651 1.00 0.00 O ATOM 849 CB VAL A 56 -2.933 0.186 -3.436 1.00 0.00 C ATOM 850 CG1 VAL A 56 -3.152 1.060 -4.665 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.180 -1.277 -3.771 1.00 0.00 C ATOM 0 H VAL A 56 -2.037 0.045 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.800 -0.083 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.649 0.493 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.159 0.900 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.030 2.108 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.424 0.797 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.184 -1.392 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.449 -1.610 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.084 -1.879 -2.867 1.00 0.00 H new ATOM 861 N VAL A 57 -0.868 2.499 -3.864 1.00 0.00 N ATOM 862 CA VAL A 57 -0.545 3.922 -3.876 1.00 0.00 C ATOM 863 C VAL A 57 -0.892 4.564 -5.215 1.00 0.00 C ATOM 864 O VAL A 57 -1.299 3.884 -6.156 1.00 0.00 O ATOM 865 CB VAL A 57 0.949 4.163 -3.582 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.181 4.298 -2.085 1.00 0.00 C ATOM 867 CG2 VAL A 57 1.803 3.046 -4.166 1.00 0.00 C ATOM 0 H VAL A 57 -0.809 2.044 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.146 4.382 -3.091 1.00 0.00 H new ATOM 0 HB VAL A 57 1.247 5.096 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.241 4.468 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.604 5.140 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.864 3.383 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.853 3.238 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.508 2.094 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.660 3.005 -5.246 1.00 0.00 H new ATOM 877 N GLN A 58 -0.724 5.882 -5.289 1.00 0.00 N ATOM 878 CA GLN A 58 -1.011 6.631 -6.508 1.00 0.00 C ATOM 879 C GLN A 58 -0.793 8.128 -6.286 1.00 0.00 C ATOM 880 O GLN A 58 -1.729 8.923 -6.378 1.00 0.00 O ATOM 881 CB GLN A 58 -2.448 6.374 -6.972 1.00 0.00 C ATOM 882 CG GLN A 58 -2.586 6.251 -8.481 1.00 0.00 C ATOM 883 CD GLN A 58 -2.648 7.599 -9.172 1.00 0.00 C ATOM 884 OE1 GLN A 58 -1.769 8.442 -8.993 1.00 0.00 O ATOM 885 NE2 GLN A 58 -3.689 7.808 -9.968 1.00 0.00 N ATOM 0 H GLN A 58 -0.389 6.455 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.325 6.290 -7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.813 5.459 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.085 7.186 -6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.743 5.684 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.488 5.685 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.394 7.081 -10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.784 8.696 -10.461 1.00 0.00 H new ATOM 894 N PRO A 59 0.453 8.533 -5.986 1.00 0.00 N ATOM 895 CA PRO A 59 0.791 9.940 -5.748 1.00 0.00 C ATOM 896 C PRO A 59 0.274 10.856 -6.851 1.00 0.00 C ATOM 897 O PRO A 59 0.705 10.766 -8.001 1.00 0.00 O ATOM 898 CB PRO A 59 2.320 9.937 -5.727 1.00 0.00 C ATOM 899 CG PRO A 59 2.689 8.561 -5.294 1.00 0.00 C ATOM 900 CD PRO A 59 1.629 7.652 -5.855 1.00 0.00 C ATOM 0 HA PRO A 59 0.339 10.319 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.730 10.166 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.708 10.687 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.676 8.286 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.728 8.491 -4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.927 7.234 -6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.429 6.811 -5.191 1.00 0.00 H new ATOM 908 N ASP A 60 -0.654 11.739 -6.494 1.00 0.00 N ATOM 909 CA ASP A 60 -1.230 12.673 -7.454 1.00 0.00 C ATOM 910 C ASP A 60 -2.153 13.668 -6.759 1.00 0.00 C ATOM 911 O ASP A 60 -2.149 14.859 -7.073 1.00 0.00 O ATOM 912 CB ASP A 60 -1.999 11.913 -8.539 1.00 0.00 C ATOM 913 CG ASP A 60 -1.347 12.035 -9.902 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.103 12.136 -9.958 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.079 12.027 -10.914 1.00 0.00 O ATOM 0 H ASP A 60 -1.023 11.827 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.415 13.227 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.065 10.860 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.019 12.294 -8.592 1.00 0.00 H new ATOM 920 N ALA A 61 -2.940 13.173 -5.813 1.00 0.00 N ATOM 921 CA ALA A 61 -3.869 14.018 -5.070 1.00 0.00 C ATOM 922 C ALA A 61 -3.290 14.418 -3.717 1.00 0.00 C ATOM 923 O ALA A 61 -4.029 14.672 -2.766 1.00 0.00 O ATOM 924 CB ALA A 61 -5.200 13.305 -4.885 1.00 0.00 C ATOM 0 H ALA A 61 -2.955 12.190 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.033 14.927 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.883 13.948 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.629 13.077 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.043 12.379 -4.333 1.00 0.00 H new ATOM 930 N TRP A 62 -1.964 14.474 -3.637 1.00 0.00 N ATOM 931 CA TRP A 62 -1.290 14.846 -2.398 1.00 0.00 C ATOM 932 C TRP A 62 -1.059 16.353 -2.341 1.00 0.00 C ATOM 933 O TRP A 62 -1.187 16.971 -1.284 1.00 0.00 O ATOM 934 CB TRP A 62 0.043 14.107 -2.275 1.00 0.00 C ATOM 935 CG TRP A 62 -0.067 12.806 -1.540 1.00 0.00 C ATOM 936 CD1 TRP A 62 -0.981 11.816 -1.757 1.00 0.00 C ATOM 937 CD2 TRP A 62 0.768 12.353 -0.467 1.00 0.00 C ATOM 938 NE1 TRP A 62 -0.766 10.775 -0.887 1.00 0.00 N ATOM 939 CE2 TRP A 62 0.303 11.081 -0.084 1.00 0.00 C ATOM 940 CE3 TRP A 62 1.865 12.900 0.206 1.00 0.00 C ATOM 941 CZ2 TRP A 62 0.895 10.349 0.941 1.00 0.00 C ATOM 942 CZ3 TRP A 62 2.452 12.171 1.223 1.00 0.00 C ATOM 943 CH2 TRP A 62 1.966 10.907 1.582 1.00 0.00 C ATOM 0 H TRP A 62 -1.336 14.267 -4.414 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.930 14.561 -1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.441 13.920 -3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.760 14.747 -1.761 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.760 11.847 -2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.312 9.915 -0.845 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.246 13.874 -0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 0.522 9.375 1.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.300 12.583 1.750 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.447 10.362 2.381 1.00 0.00 H new ATOM 954 N THR A 63 -0.721 16.937 -3.486 1.00 0.00 N ATOM 955 CA THR A 63 -0.472 18.372 -3.570 1.00 0.00 C ATOM 956 C THR A 63 0.634 18.796 -2.609 1.00 0.00 C ATOM 957 O THR A 63 1.145 17.983 -1.840 1.00 0.00 O ATOM 958 CB THR A 63 -1.753 19.150 -3.264 1.00 0.00 C ATOM 959 OG1 THR A 63 -2.896 18.344 -3.490 1.00 0.00 O ATOM 960 CG2 THR A 63 -1.905 20.404 -4.098 1.00 0.00 C ATOM 0 H THR A 63 -0.613 16.438 -4.369 1.00 0.00 H new ATOM 0 HA THR A 63 -0.148 18.598 -4.586 1.00 0.00 H new ATOM 0 HB THR A 63 -1.673 19.437 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.705 18.859 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.834 20.908 -3.831 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.063 21.071 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.927 20.138 -5.155 1.00 0.00 H new ATOM 968 N GLU A 64 0.996 20.075 -2.661 1.00 0.00 N ATOM 969 CA GLU A 64 2.041 20.614 -1.798 1.00 0.00 C ATOM 970 C GLU A 64 3.386 19.950 -2.082 1.00 0.00 C ATOM 971 O GLU A 64 4.233 20.514 -2.775 1.00 0.00 O ATOM 972 CB GLU A 64 1.663 20.433 -0.325 1.00 0.00 C ATOM 973 CG GLU A 64 0.499 21.304 0.115 1.00 0.00 C ATOM 974 CD GLU A 64 -0.284 20.695 1.263 1.00 0.00 C ATOM 975 OE1 GLU A 64 -1.097 19.783 1.008 1.00 0.00 O ATOM 976 OE2 GLU A 64 -0.080 21.130 2.415 1.00 0.00 O ATOM 0 H GLU A 64 0.579 20.758 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 64 2.136 21.679 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.410 19.387 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.530 20.660 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.875 22.282 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.169 21.465 -0.731 1.00 0.00 H new ATOM 983 N ASP A 65 3.576 18.750 -1.543 1.00 0.00 N ATOM 984 CA ASP A 65 4.819 18.011 -1.740 1.00 0.00 C ATOM 985 C ASP A 65 4.543 16.527 -1.947 1.00 0.00 C ATOM 986 O ASP A 65 3.407 16.072 -1.813 1.00 0.00 O ATOM 987 CB ASP A 65 5.748 18.208 -0.540 1.00 0.00 C ATOM 988 CG ASP A 65 5.129 17.718 0.755 1.00 0.00 C ATOM 989 OD1 ASP A 65 4.266 18.431 1.308 1.00 0.00 O ATOM 990 OD2 ASP A 65 5.507 16.620 1.216 1.00 0.00 O ATOM 0 H ASP A 65 2.886 18.268 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 65 5.306 18.398 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.683 17.677 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.995 19.265 -0.445 1.00 0.00 H new ATOM 995 N ASN A 66 5.590 15.775 -2.273 1.00 0.00 N ATOM 996 CA ASN A 66 5.459 14.340 -2.497 1.00 0.00 C ATOM 997 C ASN A 66 5.423 13.584 -1.172 1.00 0.00 C ATOM 998 O ASN A 66 4.410 12.984 -0.817 1.00 0.00 O ATOM 999 CB ASN A 66 6.617 13.830 -3.358 1.00 0.00 C ATOM 1000 CG ASN A 66 6.189 12.730 -4.309 1.00 0.00 C ATOM 1001 OD1 ASN A 66 6.576 11.497 -4.001 1.00 0.00 O flip ATOM 1002 ND2 ASN A 66 5.518 12.985 -5.309 1.00 0.00 N flip ATOM 0 H ASN A 66 6.537 16.135 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 66 4.520 14.163 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.034 14.659 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.411 13.458 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.243 13.947 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.237 12.234 -5.940 1.00 0.00 H new ATOM 1009 N GLY A 67 6.535 13.623 -0.447 1.00 0.00 N ATOM 1010 CA GLY A 67 6.611 12.941 0.832 1.00 0.00 C ATOM 1011 C GLY A 67 6.430 11.440 0.706 1.00 0.00 C ATOM 1012 O GLY A 67 5.981 10.782 1.644 1.00 0.00 O ATOM 0 H GLY A 67 7.385 14.115 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.576 13.149 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.846 13.341 1.498 1.00 0.00 H new ATOM 1016 N PHE A 68 6.783 10.898 -0.456 1.00 0.00 N ATOM 1017 CA PHE A 68 6.658 9.464 -0.698 1.00 0.00 C ATOM 1018 C PHE A 68 7.961 8.729 -0.380 1.00 0.00 C ATOM 1019 O PHE A 68 8.091 7.537 -0.654 1.00 0.00 O ATOM 1020 CB PHE A 68 6.248 9.197 -2.149 1.00 0.00 C ATOM 1021 CG PHE A 68 5.605 7.852 -2.346 1.00 0.00 C ATOM 1022 CD1 PHE A 68 6.378 6.731 -2.599 1.00 0.00 C ATOM 1023 CD2 PHE A 68 4.229 7.708 -2.267 1.00 0.00 C ATOM 1024 CE1 PHE A 68 5.793 5.491 -2.767 1.00 0.00 C ATOM 1025 CE2 PHE A 68 3.636 6.471 -2.438 1.00 0.00 C ATOM 1026 CZ PHE A 68 4.421 5.360 -2.687 1.00 0.00 C ATOM 0 H PHE A 68 7.157 11.428 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 68 5.882 9.085 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.556 9.974 -2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.129 9.268 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.452 6.828 -2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.613 8.572 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.408 4.625 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.562 6.372 -2.377 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.962 4.392 -2.819 1.00 0.00 H new ATOM 1036 N HIS A 69 8.928 9.443 0.194 1.00 0.00 N ATOM 1037 CA HIS A 69 10.216 8.846 0.535 1.00 0.00 C ATOM 1038 C HIS A 69 10.195 8.226 1.933 1.00 0.00 C ATOM 1039 O HIS A 69 11.193 8.263 2.652 1.00 0.00 O ATOM 1040 CB HIS A 69 11.324 9.897 0.451 1.00 0.00 C ATOM 1041 CG HIS A 69 11.440 10.533 -0.901 1.00 0.00 C ATOM 1042 ND1 HIS A 69 10.486 11.384 -1.417 1.00 0.00 N ATOM 1043 CD2 HIS A 69 12.406 10.436 -1.845 1.00 0.00 C ATOM 1044 CE1 HIS A 69 10.858 11.782 -2.620 1.00 0.00 C ATOM 1045 NE2 HIS A 69 12.020 11.221 -2.903 1.00 0.00 N ATOM 0 H HIS A 69 8.844 10.431 0.431 1.00 0.00 H new ATOM 0 HA HIS A 69 10.413 8.051 -0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 69 11.136 10.672 1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.276 9.432 0.709 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.311 9.850 -1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.306 12.452 -3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 69 12.545 11.350 -3.768 1.00 0.00 H new ATOM 1054 N ALA A 70 9.056 7.652 2.310 1.00 0.00 N ATOM 1055 CA ALA A 70 8.913 7.020 3.617 1.00 0.00 C ATOM 1056 C ALA A 70 7.716 6.072 3.644 1.00 0.00 C ATOM 1057 O ALA A 70 7.154 5.799 4.704 1.00 0.00 O ATOM 1058 CB ALA A 70 8.778 8.078 4.702 1.00 0.00 C ATOM 0 H ALA A 70 8.219 7.612 1.729 1.00 0.00 H new ATOM 0 HA ALA A 70 9.810 6.432 3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.672 7.593 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.667 8.709 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.899 8.691 4.505 1.00 0.00 H new ATOM 1064 N ILE A 71 7.332 5.575 2.473 1.00 0.00 N ATOM 1065 CA ILE A 71 6.204 4.662 2.360 1.00 0.00 C ATOM 1066 C ILE A 71 6.610 3.240 2.727 1.00 0.00 C ATOM 1067 O ILE A 71 5.943 2.579 3.521 1.00 0.00 O ATOM 1068 CB ILE A 71 5.620 4.681 0.939 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.345 6.125 0.518 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.349 3.848 0.872 1.00 0.00 C ATOM 1071 CD1 ILE A 71 4.269 6.800 1.341 1.00 0.00 C ATOM 0 H ILE A 71 7.788 5.791 1.587 1.00 0.00 H new ATOM 0 HA ILE A 71 5.440 5.001 3.060 1.00 0.00 H new ATOM 0 HB ILE A 71 6.343 4.244 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.267 6.700 0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.051 6.139 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.950 3.874 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.574 2.818 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.610 4.255 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.127 7.821 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.334 6.248 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.570 6.818 2.389 1.00 0.00 H new ATOM 1083 N GLY A 72 7.717 2.780 2.153 1.00 0.00 N ATOM 1084 CA GLY A 72 8.197 1.443 2.444 1.00 0.00 C ATOM 1085 C GLY A 72 8.713 1.314 3.864 1.00 0.00 C ATOM 1086 O GLY A 72 8.833 0.209 4.392 1.00 0.00 O ATOM 0 H GLY A 72 8.288 3.308 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.390 0.727 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.993 1.185 1.746 1.00 0.00 H new ATOM 1090 N GLN A 73 9.019 2.451 4.487 1.00 0.00 N ATOM 1091 CA GLN A 73 9.525 2.464 5.855 1.00 0.00 C ATOM 1092 C GLN A 73 8.405 2.749 6.857 1.00 0.00 C ATOM 1093 O GLN A 73 8.574 2.539 8.059 1.00 0.00 O ATOM 1094 CB GLN A 73 10.632 3.511 5.998 1.00 0.00 C ATOM 1095 CG GLN A 73 12.032 2.919 5.996 1.00 0.00 C ATOM 1096 CD GLN A 73 12.939 3.563 7.028 1.00 0.00 C ATOM 1097 OE1 GLN A 73 13.912 4.234 6.683 1.00 0.00 O ATOM 1098 NE2 GLN A 73 12.623 3.358 8.301 1.00 0.00 N ATOM 0 H GLN A 73 8.925 3.375 4.064 1.00 0.00 H new ATOM 0 HA GLN A 73 9.933 1.477 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.549 4.229 5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.481 4.063 6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.970 1.848 6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.472 3.039 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.807 2.795 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.196 3.764 9.041 1.00 0.00 H new ATOM 1107 N MET A 74 7.266 3.227 6.363 1.00 0.00 N ATOM 1108 CA MET A 74 6.131 3.536 7.226 1.00 0.00 C ATOM 1109 C MET A 74 5.172 2.352 7.315 1.00 0.00 C ATOM 1110 O MET A 74 4.483 2.176 8.319 1.00 0.00 O ATOM 1111 CB MET A 74 5.388 4.769 6.707 1.00 0.00 C ATOM 1112 CG MET A 74 5.982 6.084 7.187 1.00 0.00 C ATOM 1113 SD MET A 74 5.364 7.503 6.263 1.00 0.00 S ATOM 1114 CE MET A 74 3.606 7.165 6.257 1.00 0.00 C ATOM 0 H MET A 74 7.105 3.408 5.372 1.00 0.00 H new ATOM 0 HA MET A 74 6.515 3.744 8.224 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.393 4.754 5.617 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.346 4.714 7.022 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.754 6.217 8.245 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.068 6.042 7.098 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.058 8.092 6.087 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.375 6.456 5.462 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.314 6.741 7.218 1.00 0.00 H new ATOM 1124 N CYS A 75 5.135 1.543 6.261 1.00 0.00 N ATOM 1125 CA CYS A 75 4.260 0.376 6.228 1.00 0.00 C ATOM 1126 C CYS A 75 5.076 -0.912 6.162 1.00 0.00 C ATOM 1127 O CYS A 75 6.172 -0.936 5.602 1.00 0.00 O ATOM 1128 CB CYS A 75 3.308 0.454 5.032 1.00 0.00 C ATOM 1129 SG CYS A 75 4.120 0.309 3.422 1.00 0.00 S ATOM 0 H CYS A 75 5.699 1.673 5.421 1.00 0.00 H new ATOM 0 HA CYS A 75 3.673 0.368 7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.564 -0.337 5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.772 1.402 5.071 1.00 0.00 H new ATOM 0 HG CYS A 75 4.943 1.302 3.260 1.00 0.00 H new ATOM 1135 N GLU A 76 4.535 -1.980 6.738 1.00 0.00 N ATOM 1136 CA GLU A 76 5.214 -3.270 6.743 1.00 0.00 C ATOM 1137 C GLU A 76 4.686 -4.167 5.627 1.00 0.00 C ATOM 1138 O GLU A 76 4.679 -5.391 5.753 1.00 0.00 O ATOM 1139 CB GLU A 76 5.034 -3.958 8.099 1.00 0.00 C ATOM 1140 CG GLU A 76 6.328 -4.513 8.674 1.00 0.00 C ATOM 1141 CD GLU A 76 6.736 -5.825 8.031 1.00 0.00 C ATOM 1142 OE1 GLU A 76 5.959 -6.798 8.123 1.00 0.00 O ATOM 1143 OE2 GLU A 76 7.833 -5.877 7.437 1.00 0.00 O ATOM 0 H GLU A 76 3.629 -1.978 7.207 1.00 0.00 H new ATOM 0 HA GLU A 76 6.276 -3.096 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.608 -3.245 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.315 -4.770 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.125 -3.782 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.211 -4.660 9.748 1.00 0.00 H new ATOM 1150 N ALA A 77 4.247 -3.549 4.534 1.00 0.00 N ATOM 1151 CA ALA A 77 3.721 -4.291 3.397 1.00 0.00 C ATOM 1152 C ALA A 77 4.158 -3.657 2.078 1.00 0.00 C ATOM 1153 O ALA A 77 4.617 -2.516 2.050 1.00 0.00 O ATOM 1154 CB ALA A 77 2.203 -4.367 3.474 1.00 0.00 C ATOM 0 H ALA A 77 4.246 -2.536 4.414 1.00 0.00 H new ATOM 0 HA ALA A 77 4.126 -5.302 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.823 -4.924 2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.910 -4.872 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.787 -3.359 3.465 1.00 0.00 H new ATOM 1160 N PRO A 78 4.025 -4.398 0.965 1.00 0.00 N ATOM 1161 CA PRO A 78 4.412 -3.909 -0.362 1.00 0.00 C ATOM 1162 C PRO A 78 3.472 -2.830 -0.891 1.00 0.00 C ATOM 1163 O PRO A 78 2.252 -2.988 -0.865 1.00 0.00 O ATOM 1164 CB PRO A 78 4.329 -5.161 -1.238 1.00 0.00 C ATOM 1165 CG PRO A 78 3.333 -6.033 -0.557 1.00 0.00 C ATOM 1166 CD PRO A 78 3.491 -5.773 0.915 1.00 0.00 C ATOM 0 HA PRO A 78 5.396 -3.441 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.012 -4.915 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.298 -5.654 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.321 -5.801 -0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.511 -7.083 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.540 -5.854 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.173 -6.486 1.378 1.00 0.00 H new ATOM 1174 N VAL A 79 4.051 -1.738 -1.378 1.00 0.00 N ATOM 1175 CA VAL A 79 3.270 -0.631 -1.925 1.00 0.00 C ATOM 1176 C VAL A 79 3.266 -0.683 -3.449 1.00 0.00 C ATOM 1177 O VAL A 79 4.323 -0.788 -4.071 1.00 0.00 O ATOM 1178 CB VAL A 79 3.824 0.739 -1.474 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.725 1.790 -1.487 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.463 0.646 -0.095 1.00 0.00 C ATOM 0 H VAL A 79 5.060 -1.594 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 79 2.254 -0.739 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 79 4.597 1.039 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.134 2.748 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.325 1.886 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.927 1.491 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.844 1.625 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.718 0.316 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.285 -0.070 -0.122 1.00 0.00 H new ATOM 1190 N VAL A 80 2.081 -0.617 -4.054 1.00 0.00 N ATOM 1191 CA VAL A 80 1.980 -0.669 -5.509 1.00 0.00 C ATOM 1192 C VAL A 80 0.869 0.237 -6.029 1.00 0.00 C ATOM 1193 O VAL A 80 -0.094 0.522 -5.323 1.00 0.00 O ATOM 1194 CB VAL A 80 1.710 -2.104 -6.002 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.876 -3.020 -5.665 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.416 -2.640 -5.406 1.00 0.00 C ATOM 0 H VAL A 80 1.190 -0.529 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 80 2.939 -0.323 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 80 1.603 -2.077 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.663 -4.027 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.781 -2.649 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.021 -3.042 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.242 -3.654 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.492 -2.649 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.415 -2.001 -5.706 1.00 0.00 H new ATOM 1206 N THR A 81 0.998 0.673 -7.276 1.00 0.00 N ATOM 1207 CA THR A 81 -0.012 1.528 -7.885 1.00 0.00 C ATOM 1208 C THR A 81 -1.341 0.784 -7.967 1.00 0.00 C ATOM 1209 O THR A 81 -1.507 -0.268 -7.349 1.00 0.00 O ATOM 1210 CB THR A 81 0.428 1.974 -9.282 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.187 0.955 -10.236 1.00 0.00 O ATOM 1212 CG2 THR A 81 1.895 2.340 -9.362 1.00 0.00 C ATOM 0 H THR A 81 1.787 0.450 -7.882 1.00 0.00 H new ATOM 0 HA THR A 81 -0.136 2.415 -7.264 1.00 0.00 H new ATOM 0 HB THR A 81 -0.164 2.864 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.474 1.262 -11.122 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.139 2.647 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.103 3.161 -8.676 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.501 1.476 -9.089 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.284 1.323 -8.731 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.587 0.686 -8.880 1.00 0.00 C ATOM 1222 C ARG A 82 -3.582 -0.315 -10.035 1.00 0.00 C ATOM 1223 O ARG A 82 -4.485 -1.145 -10.148 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.679 1.732 -9.107 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.580 2.936 -8.188 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.943 3.577 -7.969 1.00 0.00 C ATOM 1227 NE ARG A 82 -6.077 4.840 -8.692 1.00 0.00 N ATOM 1228 CZ ARG A 82 -6.389 4.928 -9.984 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -6.597 3.830 -10.700 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -6.495 6.117 -10.561 1.00 0.00 N ATOM 0 H ARG A 82 -2.173 2.192 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.798 0.149 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.633 2.072 -10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.653 1.262 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.161 2.631 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.896 3.668 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.724 2.889 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.095 3.751 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.922 5.706 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.518 2.913 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.836 3.904 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.338 6.964 -10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.734 6.184 -11.550 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.566 -0.234 -10.890 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.454 -1.135 -12.033 1.00 0.00 C ATOM 1246 C GLU A 83 -2.485 -2.592 -11.583 1.00 0.00 C ATOM 1247 O GLU A 83 -3.025 -3.454 -12.277 1.00 0.00 O ATOM 1248 CB GLU A 83 -1.166 -0.856 -12.809 1.00 0.00 C ATOM 1249 CG GLU A 83 -1.320 0.210 -13.882 1.00 0.00 C ATOM 1250 CD GLU A 83 -2.069 -0.295 -15.101 1.00 0.00 C ATOM 1251 OE1 GLU A 83 -1.669 -1.342 -15.651 1.00 0.00 O ATOM 1252 OE2 GLU A 83 -3.054 0.358 -15.503 1.00 0.00 O ATOM 0 H GLU A 83 -1.809 0.446 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.308 -0.957 -12.687 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.390 -0.546 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.824 -1.781 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.848 1.067 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.333 0.560 -14.185 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.912 -2.860 -10.415 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.884 -4.211 -9.870 1.00 0.00 C ATOM 1261 C TRP A 84 -3.298 -4.747 -9.717 1.00 0.00 C ATOM 1262 O TRP A 84 -3.653 -5.785 -10.273 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.195 -4.212 -8.507 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.090 -5.573 -7.891 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.249 -6.583 -8.263 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.859 -6.074 -6.793 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.448 -7.681 -7.461 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.432 -7.393 -6.551 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.868 -5.534 -5.991 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -1.980 -8.178 -5.539 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.411 -6.313 -4.988 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -2.966 -7.623 -4.769 1.00 0.00 C ATOM 0 H TRP A 84 -1.461 -2.159 -9.828 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.330 -4.849 -10.558 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.195 -3.792 -8.614 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.744 -3.557 -7.831 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.467 -6.527 -9.069 1.00 0.00 H new ATOM 0 HE1 TRP A 84 0.054 -8.566 -7.531 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.217 -4.525 -6.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.639 -9.188 -5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.191 -5.905 -4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.410 -8.207 -3.976 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.093 -4.015 -8.956 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.480 -4.386 -8.712 1.00 0.00 C ATOM 1285 C VAL A 85 -6.258 -4.493 -10.018 1.00 0.00 C ATOM 1286 O VAL A 85 -6.966 -5.470 -10.253 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.178 -3.368 -7.789 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.594 -3.819 -7.462 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.370 -3.158 -6.518 1.00 0.00 C ATOM 0 H VAL A 85 -3.801 -3.154 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.467 -5.359 -8.222 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.240 -2.415 -8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.068 -3.086 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.169 -3.910 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.561 -4.785 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.878 -2.436 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.272 -4.106 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.380 -2.781 -6.774 1.00 0.00 H new ATOM 1299 N LEU A 86 -6.120 -3.479 -10.862 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.811 -3.456 -12.146 1.00 0.00 C ATOM 1301 C LEU A 86 -6.360 -4.615 -13.028 1.00 0.00 C ATOM 1302 O LEU A 86 -7.180 -5.295 -13.645 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.560 -2.125 -12.859 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.788 -1.508 -13.530 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -8.586 -0.687 -12.528 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.372 -0.649 -14.714 1.00 0.00 C ATOM 0 H LEU A 86 -5.537 -2.662 -10.682 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.879 -3.563 -11.959 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.163 -1.412 -12.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.789 -2.275 -13.615 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.423 -2.314 -13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.456 -0.255 -13.022 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.914 -1.329 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.960 0.113 -12.132 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.258 -0.218 -15.180 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.717 0.151 -14.370 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.843 -1.264 -15.442 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.052 -4.834 -13.083 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.492 -5.911 -13.889 1.00 0.00 C ATOM 1320 C ASP A 87 -4.959 -7.270 -13.377 1.00 0.00 C ATOM 1321 O ASP A 87 -5.202 -8.189 -14.160 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.964 -5.844 -13.876 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.332 -6.882 -14.783 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -3.005 -7.324 -15.738 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.165 -7.252 -14.540 1.00 0.00 O ATOM 0 H ASP A 87 -4.359 -4.280 -12.579 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.844 -5.788 -14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.644 -4.850 -14.188 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.605 -5.989 -12.857 1.00 0.00 H new ATOM 1330 N SER A 88 -5.083 -7.390 -12.059 1.00 0.00 N ATOM 1331 CA SER A 88 -5.522 -8.638 -11.444 1.00 0.00 C ATOM 1332 C SER A 88 -7.030 -8.816 -11.589 1.00 0.00 C ATOM 1333 O SER A 88 -7.504 -9.900 -11.921 1.00 0.00 O ATOM 1334 CB SER A 88 -5.134 -8.672 -9.966 1.00 0.00 C ATOM 1335 OG SER A 88 -3.743 -8.455 -9.797 1.00 0.00 O ATOM 0 H SER A 88 -4.886 -6.639 -11.397 1.00 0.00 H new ATOM 0 HA SER A 88 -5.025 -9.459 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.692 -7.910 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.409 -9.635 -9.537 1.00 0.00 H new ATOM 0 HG SER A 88 -3.535 -7.514 -9.973 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.779 -7.749 -11.331 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.234 -7.795 -11.431 1.00 0.00 C ATOM 1343 C VAL A 89 -9.690 -7.886 -12.886 1.00 0.00 C ATOM 1344 O VAL A 89 -10.769 -8.404 -13.175 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.882 -6.557 -10.778 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.400 -6.682 -10.773 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.350 -6.357 -9.365 1.00 0.00 C ATOM 0 H VAL A 89 -7.403 -6.843 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.556 -8.690 -10.899 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.618 -5.680 -11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.836 -5.798 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.761 -6.769 -11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.690 -7.569 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.819 -5.479 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.580 -7.235 -8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.270 -6.213 -9.400 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.867 -7.377 -13.797 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.195 -7.399 -15.218 1.00 0.00 C ATOM 1359 C ALA A 90 -9.035 -8.796 -15.805 1.00 0.00 C ATOM 1360 O ALA A 90 -9.949 -9.323 -16.438 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.325 -6.406 -15.974 1.00 0.00 C ATOM 0 H ALA A 90 -7.970 -6.945 -13.577 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.241 -7.110 -15.325 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.580 -6.432 -17.034 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.496 -5.402 -15.584 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.275 -6.671 -15.846 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.865 -9.388 -15.596 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.580 -10.724 -16.110 1.00 0.00 C ATOM 1369 C LEU A 91 -7.836 -11.800 -15.053 1.00 0.00 C ATOM 1370 O LEU A 91 -7.681 -12.991 -15.322 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.129 -10.800 -16.588 1.00 0.00 C ATOM 1372 CG LEU A 91 -5.751 -12.096 -17.311 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.496 -11.831 -18.787 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -4.529 -12.733 -16.665 1.00 0.00 C ATOM 0 H LEU A 91 -7.098 -8.965 -15.074 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.252 -10.910 -16.948 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.938 -9.960 -17.256 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.472 -10.678 -15.727 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.586 -12.791 -17.226 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.229 -12.764 -19.283 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.397 -11.422 -19.244 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.679 -11.117 -18.893 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.276 -13.653 -17.193 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.688 -12.042 -16.717 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.747 -12.962 -15.622 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.222 -11.378 -13.852 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.490 -12.313 -12.764 1.00 0.00 C ATOM 1388 C TYR A 92 -7.270 -13.185 -12.483 1.00 0.00 C ATOM 1389 O TYR A 92 -7.198 -14.332 -12.922 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.701 -13.190 -13.099 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.800 -13.129 -12.061 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.503 -13.055 -10.705 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.137 -13.147 -12.438 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.506 -13.000 -9.756 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.146 -13.091 -11.495 1.00 0.00 C ATOM 1396 CZ TYR A 92 -12.826 -13.019 -10.156 1.00 0.00 C ATOM 1397 OH TYR A 92 -13.827 -12.964 -9.214 1.00 0.00 O ATOM 0 H TYR A 92 -8.356 -10.397 -13.608 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.712 -11.734 -11.867 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.106 -12.882 -14.063 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.372 -14.223 -13.207 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.471 -13.040 -10.388 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.392 -13.206 -13.486 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.258 -12.942 -8.707 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.180 -13.104 -11.806 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.470 -12.267 -9.460 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.311 -12.630 -11.748 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.092 -13.355 -11.406 1.00 0.00 C ATOM 1409 C GLN A 93 -4.178 -12.498 -10.536 1.00 0.00 C ATOM 1410 O GLN A 93 -3.842 -11.369 -10.895 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.356 -13.784 -12.678 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.013 -15.265 -12.712 1.00 0.00 C ATOM 1413 CD GLN A 93 -4.142 -15.860 -14.100 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -4.851 -16.845 -14.302 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -3.454 -15.263 -15.067 1.00 0.00 N ATOM 0 H GLN A 93 -6.355 -11.681 -11.378 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.371 -14.244 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.973 -13.542 -13.544 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.437 -13.205 -12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.994 -15.407 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.670 -15.802 -12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.878 -14.448 -14.855 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.502 -15.619 -16.022 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.780 -13.041 -9.391 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.904 -12.326 -8.468 1.00 0.00 C ATOM 1426 C CYS A 94 -1.584 -11.962 -9.140 1.00 0.00 C ATOM 1427 O CYS A 94 -0.610 -12.711 -9.065 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.639 -13.174 -7.224 1.00 0.00 C ATOM 1429 SG CYS A 94 -2.073 -12.226 -5.791 1.00 0.00 S ATOM 0 H CYS A 94 -4.050 -13.974 -9.079 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.405 -11.405 -8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.553 -13.704 -6.957 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.891 -13.929 -7.465 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.878 -13.030 -4.788 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.559 -10.808 -9.799 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.357 -10.346 -10.486 1.00 0.00 C ATOM 1437 C GLN A 95 0.759 -10.048 -9.491 1.00 0.00 C ATOM 1438 O GLN A 95 0.526 -9.969 -8.285 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.665 -9.096 -11.312 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.884 -9.242 -12.208 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.758 -10.402 -13.176 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.942 -11.559 -12.802 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.441 -10.095 -14.428 1.00 0.00 N ATOM 0 H GLN A 95 -2.356 -10.176 -9.872 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.022 -11.141 -11.152 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.820 -8.254 -10.637 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.201 -8.856 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.770 -9.384 -11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.031 -8.319 -12.769 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.298 -9.121 -14.694 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.341 -10.833 -15.124 1.00 0.00 H new ATOM 1452 N GLU A 96 1.974 -9.884 -10.006 1.00 0.00 N ATOM 1453 CA GLU A 96 3.128 -9.592 -9.163 1.00 0.00 C ATOM 1454 C GLU A 96 3.203 -8.102 -8.841 1.00 0.00 C ATOM 1455 O GLU A 96 3.103 -7.259 -9.732 1.00 0.00 O ATOM 1456 CB GLU A 96 4.419 -10.047 -9.849 1.00 0.00 C ATOM 1457 CG GLU A 96 4.531 -9.598 -11.297 1.00 0.00 C ATOM 1458 CD GLU A 96 5.949 -9.679 -11.824 1.00 0.00 C ATOM 1459 OE1 GLU A 96 6.776 -8.826 -11.438 1.00 0.00 O ATOM 1460 OE2 GLU A 96 6.233 -10.596 -12.623 1.00 0.00 O ATOM 0 H GLU A 96 2.184 -9.948 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 96 3.012 -10.141 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.272 -9.661 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.478 -11.135 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.881 -10.216 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.173 -8.572 -11.384 1.00 0.00 H new ATOM 1467 N LEU A 97 3.376 -7.789 -7.562 1.00 0.00 N ATOM 1468 CA LEU A 97 3.460 -6.403 -7.117 1.00 0.00 C ATOM 1469 C LEU A 97 4.717 -5.724 -7.654 1.00 0.00 C ATOM 1470 O LEU A 97 4.738 -4.511 -7.860 1.00 0.00 O ATOM 1471 CB LEU A 97 3.445 -6.338 -5.588 1.00 0.00 C ATOM 1472 CG LEU A 97 2.054 -6.371 -4.954 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.690 -7.787 -4.537 1.00 0.00 C ATOM 1474 CD2 LEU A 97 1.986 -5.426 -3.763 1.00 0.00 C ATOM 0 H LEU A 97 3.461 -8.477 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 97 2.593 -5.872 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.026 -7.174 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.950 -5.425 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 97 1.330 -6.037 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.697 -7.790 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.695 -8.437 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.417 -8.151 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.988 -5.463 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.721 -5.727 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.200 -4.409 -4.093 1.00 0.00 H new ATOM 1486 N ASP A 98 5.763 -6.514 -7.874 1.00 0.00 N ATOM 1487 CA ASP A 98 7.025 -5.988 -8.383 1.00 0.00 C ATOM 1488 C ASP A 98 6.829 -5.264 -9.714 1.00 0.00 C ATOM 1489 O ASP A 98 7.620 -4.394 -10.078 1.00 0.00 O ATOM 1490 CB ASP A 98 8.040 -7.122 -8.549 1.00 0.00 C ATOM 1491 CG ASP A 98 9.387 -6.785 -7.940 1.00 0.00 C ATOM 1492 OD1 ASP A 98 9.414 -6.303 -6.788 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.415 -7.003 -8.615 1.00 0.00 O ATOM 0 H ASP A 98 5.762 -7.520 -7.708 1.00 0.00 H new ATOM 0 HA ASP A 98 7.404 -5.267 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.650 -8.027 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.168 -7.339 -9.609 1.00 0.00 H new ATOM 1498 N THR A 99 5.775 -5.630 -10.438 1.00 0.00 N ATOM 1499 CA THR A 99 5.485 -5.014 -11.728 1.00 0.00 C ATOM 1500 C THR A 99 4.789 -3.663 -11.561 1.00 0.00 C ATOM 1501 O THR A 99 4.664 -2.901 -12.520 1.00 0.00 O ATOM 1502 CB THR A 99 4.616 -5.945 -12.576 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.253 -7.197 -12.757 1.00 0.00 O ATOM 1504 CG2 THR A 99 4.303 -5.388 -13.948 1.00 0.00 C ATOM 0 H THR A 99 5.109 -6.349 -10.154 1.00 0.00 H new ATOM 0 HA THR A 99 6.435 -4.844 -12.234 1.00 0.00 H new ATOM 0 HB THR A 99 3.683 -6.052 -12.023 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.025 -7.261 -12.156 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.684 -6.098 -14.496 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.768 -4.444 -13.844 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.232 -5.220 -14.493 1.00 0.00 H new ATOM 1512 N TYR A 100 4.335 -3.368 -10.345 1.00 0.00 N ATOM 1513 CA TYR A 100 3.656 -2.105 -10.074 1.00 0.00 C ATOM 1514 C TYR A 100 4.037 -1.563 -8.701 1.00 0.00 C ATOM 1515 O TYR A 100 3.247 -0.875 -8.054 1.00 0.00 O ATOM 1516 CB TYR A 100 2.139 -2.288 -10.158 1.00 0.00 C ATOM 1517 CG TYR A 100 1.690 -3.110 -11.346 1.00 0.00 C ATOM 1518 CD1 TYR A 100 1.639 -2.556 -12.618 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.318 -4.440 -11.192 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.230 -3.304 -13.706 1.00 0.00 C ATOM 1521 CE2 TYR A 100 0.906 -5.194 -12.276 1.00 0.00 C ATOM 1522 CZ TYR A 100 0.864 -4.622 -13.530 1.00 0.00 C ATOM 1523 OH TYR A 100 0.455 -5.368 -14.610 1.00 0.00 O ATOM 0 H TYR A 100 4.425 -3.983 -9.536 1.00 0.00 H new ATOM 0 HA TYR A 100 3.972 -1.385 -10.829 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.789 -2.766 -9.243 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.666 -1.307 -10.206 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.924 -1.524 -12.760 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.351 -4.892 -10.212 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.197 -2.858 -14.689 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.618 -6.226 -12.141 1.00 0.00 H new ATOM 0 HH TYR A 100 0.098 -6.226 -14.299 1.00 0.00 H new ATOM 1533 N LEU A 101 5.251 -1.877 -8.262 1.00 0.00 N ATOM 1534 CA LEU A 101 5.736 -1.419 -6.965 1.00 0.00 C ATOM 1535 C LEU A 101 6.500 -0.106 -7.105 1.00 0.00 C ATOM 1536 O LEU A 101 7.104 0.165 -8.143 1.00 0.00 O ATOM 1537 CB LEU A 101 6.634 -2.486 -6.334 1.00 0.00 C ATOM 1538 CG LEU A 101 6.196 -2.969 -4.949 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.318 -4.482 -4.844 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.019 -2.290 -3.862 1.00 0.00 C ATOM 0 H LEU A 101 5.917 -2.446 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 101 4.876 -1.248 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.677 -3.345 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.646 -2.089 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 101 5.149 -2.700 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.002 -4.805 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.685 -4.951 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.355 -4.776 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.694 -2.645 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.074 -2.527 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.879 -1.211 -3.921 1.00 0.00 H new ATOM 1552 N ILE A 102 6.469 0.707 -6.054 1.00 0.00 N ATOM 1553 CA ILE A 102 7.159 1.991 -6.061 1.00 0.00 C ATOM 1554 C ILE A 102 8.237 2.041 -4.981 1.00 0.00 C ATOM 1555 O ILE A 102 7.964 2.395 -3.835 1.00 0.00 O ATOM 1556 CB ILE A 102 6.177 3.159 -5.843 1.00 0.00 C ATOM 1557 CG1 ILE A 102 4.978 3.028 -6.782 1.00 0.00 C ATOM 1558 CG2 ILE A 102 6.882 4.490 -6.056 1.00 0.00 C ATOM 1559 CD1 ILE A 102 3.959 4.135 -6.620 1.00 0.00 C ATOM 0 H ILE A 102 5.973 0.499 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 102 7.623 2.095 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 102 5.814 3.123 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.333 3.020 -7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.492 2.069 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.176 5.305 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.706 4.582 -5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.270 4.538 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.136 3.977 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.575 4.130 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.430 5.096 -6.826 1.00 0.00 H new ATOM 1571 N PRO A 103 9.484 1.687 -5.337 1.00 0.00 N ATOM 1572 CA PRO A 103 10.605 1.692 -4.396 1.00 0.00 C ATOM 1573 C PRO A 103 11.157 3.093 -4.159 1.00 0.00 C ATOM 1574 O PRO A 103 10.547 4.086 -4.553 1.00 0.00 O ATOM 1575 CB PRO A 103 11.644 0.817 -5.094 1.00 0.00 C ATOM 1576 CG PRO A 103 11.382 1.011 -6.548 1.00 0.00 C ATOM 1577 CD PRO A 103 9.899 1.250 -6.685 1.00 0.00 C ATOM 0 HA PRO A 103 10.316 1.334 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.658 1.118 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.538 -0.229 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.949 1.857 -6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.688 0.134 -7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.685 2.011 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.375 0.344 -6.990 1.00 0.00 H new ATOM 1585 N GLN A 104 12.316 3.165 -3.512 1.00 0.00 N ATOM 1586 CA GLN A 104 12.952 4.446 -3.223 1.00 0.00 C ATOM 1587 C GLN A 104 14.013 4.774 -4.269 1.00 0.00 C ATOM 1588 O GLN A 104 14.895 3.961 -4.548 1.00 0.00 O ATOM 1589 CB GLN A 104 13.581 4.423 -1.830 1.00 0.00 C ATOM 1590 CG GLN A 104 12.605 4.046 -0.727 1.00 0.00 C ATOM 1591 CD GLN A 104 12.983 4.642 0.614 1.00 0.00 C ATOM 1592 OE1 GLN A 104 14.164 4.800 0.926 1.00 0.00 O ATOM 1593 NE2 GLN A 104 11.979 4.976 1.418 1.00 0.00 N ATOM 0 H GLN A 104 12.834 2.352 -3.178 1.00 0.00 H new ATOM 0 HA GLN A 104 12.186 5.220 -3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.411 3.716 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.999 5.406 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.605 4.382 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 104 12.563 2.960 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.015 4.828 1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.172 5.381 2.334 1.00 0.00 H new ATOM 1602 N ILE A 105 13.924 5.970 -4.842 1.00 0.00 N ATOM 1603 CA ILE A 105 14.877 6.404 -5.856 1.00 0.00 C ATOM 1604 C ILE A 105 14.863 5.465 -7.060 1.00 0.00 C ATOM 1605 O ILE A 105 15.506 4.415 -7.044 1.00 0.00 O ATOM 1606 CB ILE A 105 16.308 6.472 -5.289 1.00 0.00 C ATOM 1607 CG1 ILE A 105 16.323 7.250 -3.971 1.00 0.00 C ATOM 1608 CG2 ILE A 105 17.248 7.110 -6.302 1.00 0.00 C ATOM 1609 CD1 ILE A 105 16.516 6.371 -2.754 1.00 0.00 C ATOM 0 H ILE A 105 13.202 6.655 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 105 14.572 7.402 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 105 16.654 5.458 -5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 105 17.122 7.991 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 105 15.385 7.796 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 105 18.255 7.151 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 105 17.256 6.516 -7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 105 16.907 8.120 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 105 16.516 6.988 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 105 15.704 5.646 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 105 17.467 5.844 -2.833 1.00 0.00 H new ATOM 1621 N PRO A 106 14.128 5.829 -8.127 1.00 0.00 N ATOM 1622 CA PRO A 106 14.039 5.010 -9.340 1.00 0.00 C ATOM 1623 C PRO A 106 15.408 4.579 -9.853 1.00 0.00 C ATOM 1624 O PRO A 106 15.699 3.386 -9.951 1.00 0.00 O ATOM 1625 CB PRO A 106 13.360 5.941 -10.345 1.00 0.00 C ATOM 1626 CG PRO A 106 12.553 6.873 -9.509 1.00 0.00 C ATOM 1627 CD PRO A 106 13.329 7.065 -8.234 1.00 0.00 C ATOM 0 HA PRO A 106 13.498 4.080 -9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 106 14.094 6.480 -10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 106 12.730 5.384 -11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.401 7.824 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 106 11.565 6.459 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.963 7.950 -8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.668 7.191 -7.377 1.00 0.00 H new ATOM 1635 N HIS A 107 16.247 5.557 -10.179 1.00 0.00 N ATOM 1636 CA HIS A 107 17.588 5.278 -10.682 1.00 0.00 C ATOM 1637 C HIS A 107 18.607 5.288 -9.547 1.00 0.00 C ATOM 1638 O HIS A 107 19.027 6.351 -9.086 1.00 0.00 O ATOM 1639 CB HIS A 107 17.980 6.304 -11.747 1.00 0.00 C ATOM 1640 CG HIS A 107 17.750 5.827 -13.147 1.00 0.00 C ATOM 1641 ND1 HIS A 107 17.305 6.651 -14.160 1.00 0.00 N ATOM 1642 CD2 HIS A 107 17.908 4.603 -13.705 1.00 0.00 C ATOM 1643 CE1 HIS A 107 17.198 5.954 -15.278 1.00 0.00 C ATOM 1644 NE2 HIS A 107 17.558 4.710 -15.028 1.00 0.00 N ATOM 0 H HIS A 107 16.022 6.549 -10.104 1.00 0.00 H new ATOM 0 HA HIS A 107 17.582 4.285 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.411 7.220 -11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 107 19.033 6.557 -11.626 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.246 3.709 -13.202 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.871 6.338 -16.233 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.574 3.950 -15.708 1.00 0.00 H new ATOM 1653 N SER A 108 19.001 4.100 -9.100 1.00 0.00 N ATOM 1654 CA SER A 108 19.970 3.972 -8.019 1.00 0.00 C ATOM 1655 C SER A 108 20.783 2.690 -8.167 1.00 0.00 C ATOM 1656 O SER A 108 22.009 2.703 -8.056 1.00 0.00 O ATOM 1657 CB SER A 108 19.260 3.987 -6.664 1.00 0.00 C ATOM 1658 OG SER A 108 19.973 4.772 -5.723 1.00 0.00 O ATOM 0 H SER A 108 18.663 3.212 -9.471 1.00 0.00 H new ATOM 0 HA SER A 108 20.651 4.821 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.251 4.383 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 108 19.160 2.968 -6.291 1.00 0.00 H new ATOM 0 HG SER A 108 19.498 4.767 -4.866 1.00 0.00 H new ATOM 1664 N HIS A 109 20.092 1.583 -8.417 1.00 0.00 N ATOM 1665 CA HIS A 109 20.748 0.291 -8.579 1.00 0.00 C ATOM 1666 C HIS A 109 19.921 -0.632 -9.468 1.00 0.00 C ATOM 1667 O HIS A 109 20.362 -1.034 -10.544 1.00 0.00 O ATOM 1668 CB HIS A 109 20.978 -0.364 -7.216 1.00 0.00 C ATOM 1669 CG HIS A 109 22.342 -0.108 -6.652 1.00 0.00 C ATOM 1670 ND1 HIS A 109 22.551 0.541 -5.452 1.00 0.00 N ATOM 1671 CD2 HIS A 109 23.570 -0.418 -7.128 1.00 0.00 C ATOM 1672 CE1 HIS A 109 23.848 0.619 -5.217 1.00 0.00 C ATOM 1673 NE2 HIS A 109 24.488 0.044 -6.218 1.00 0.00 N ATOM 0 H HIS A 109 19.077 1.555 -8.512 1.00 0.00 H new ATOM 0 HA HIS A 109 21.712 0.460 -9.059 1.00 0.00 H new ATOM 0 HB2 HIS A 109 20.229 0.003 -6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.828 -1.440 -7.309 1.00 0.00 H new ATOM 0 HD2 HIS A 109 23.787 -0.933 -8.052 1.00 0.00 H new ATOM 0 HE1 HIS A 109 24.307 1.076 -4.353 1.00 0.00 H new ATOM 0 HE2 HIS A 109 25.501 -0.043 -6.302 1.00 0.00 H new ATOM 1682 N TYR A 110 18.717 -0.963 -9.010 1.00 0.00 N ATOM 1683 CA TYR A 110 17.827 -1.837 -9.764 1.00 0.00 C ATOM 1684 C TYR A 110 16.785 -1.026 -10.527 1.00 0.00 C ATOM 1685 O TYR A 110 16.068 -1.618 -11.361 1.00 0.00 O ATOM 1686 CB TYR A 110 17.133 -2.827 -8.824 1.00 0.00 C ATOM 1687 CG TYR A 110 17.776 -4.196 -8.804 1.00 0.00 C ATOM 1688 CD1 TYR A 110 19.023 -4.391 -8.224 1.00 0.00 C ATOM 1689 CD2 TYR A 110 17.136 -5.292 -9.367 1.00 0.00 C ATOM 1690 CE1 TYR A 110 19.614 -5.640 -8.204 1.00 0.00 C ATOM 1691 CE2 TYR A 110 17.720 -6.544 -9.352 1.00 0.00 C ATOM 1692 CZ TYR A 110 18.958 -6.713 -8.769 1.00 0.00 C ATOM 1693 OH TYR A 110 19.543 -7.958 -8.752 1.00 0.00 O ATOM 1694 OXT TYR A 110 16.694 0.196 -10.284 1.00 0.00 O ATOM 0 H TYR A 110 18.336 -0.639 -8.121 1.00 0.00 H new ATOM 0 HA TYR A 110 18.428 -2.391 -10.485 1.00 0.00 H new ATOM 0 HB2 TYR A 110 17.136 -2.419 -7.813 1.00 0.00 H new ATOM 0 HB3 TYR A 110 16.090 -2.929 -9.123 1.00 0.00 H new ATOM 0 HD1 TYR A 110 19.539 -3.552 -7.781 1.00 0.00 H new ATOM 0 HD2 TYR A 110 16.166 -5.164 -9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 110 20.584 -5.775 -7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 110 17.209 -7.386 -9.795 1.00 0.00 H new ATOM 0 HH TYR A 110 18.950 -8.604 -9.190 1.00 0.00 H new TER 1704 TYR A 110