USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 586 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 30 ASN : amide:sc= -2.86! C(o=-2.8!,f=-4.4!) USER MOD Set 1.2: A 32 THR OG1 : rot -121:sc= 0.038 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 175:sc= 0.371 (180deg=0) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.107 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.491 USER MOD Single : A 9 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.5!) USER MOD Single : A 17 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -131:sc= 0.653 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -146:sc= -2.93 (180deg=-4.61!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 161:sc= -0.0385 (180deg=-0.779) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0428 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.555 K(o=-0.55,f=-1.6) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0322 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -55:sc= 0.201 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.318 -5.031 -9.577 1.00 0.00 N ATOM 2 CA GLY A 1 14.127 -5.854 -9.468 1.00 0.00 C ATOM 3 C GLY A 1 14.244 -6.901 -8.379 1.00 0.00 C ATOM 4 O GLY A 1 14.662 -8.030 -8.637 1.00 0.00 O ATOM 0 H1 GLY A 1 15.188 -4.331 -10.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.483 -4.539 -8.676 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.137 -5.633 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.266 -5.217 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.941 -6.346 -10.423 1.00 0.00 H new ATOM 8 N SER A 2 13.874 -6.527 -7.158 1.00 0.00 N ATOM 9 CA SER A 2 13.945 -7.442 -6.025 1.00 0.00 C ATOM 10 C SER A 2 12.577 -8.053 -5.734 1.00 0.00 C ATOM 11 O SER A 2 11.562 -7.615 -6.275 1.00 0.00 O ATOM 12 CB SER A 2 14.464 -6.711 -4.785 1.00 0.00 C ATOM 13 OG SER A 2 15.865 -6.516 -4.857 1.00 0.00 O ATOM 0 H SER A 2 13.522 -5.597 -6.928 1.00 0.00 H new ATOM 0 HA SER A 2 14.636 -8.246 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.964 -5.747 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.219 -7.285 -3.891 1.00 0.00 H new ATOM 0 HG SER A 2 16.171 -6.045 -4.054 1.00 0.00 H new ATOM 19 N SER A 3 12.560 -9.067 -4.875 1.00 0.00 N ATOM 20 CA SER A 3 11.319 -9.742 -4.514 1.00 0.00 C ATOM 21 C SER A 3 10.877 -9.351 -3.106 1.00 0.00 C ATOM 22 O SER A 3 9.709 -9.044 -2.873 1.00 0.00 O ATOM 23 CB SER A 3 11.494 -11.259 -4.603 1.00 0.00 C ATOM 24 OG SER A 3 12.423 -11.723 -3.639 1.00 0.00 O ATOM 0 H SER A 3 13.391 -9.439 -4.416 1.00 0.00 H new ATOM 0 HA SER A 3 10.547 -9.431 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.532 -11.749 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.835 -11.531 -5.602 1.00 0.00 H new ATOM 0 HG SER A 3 12.516 -12.696 -3.716 1.00 0.00 H new ATOM 30 N GLY A 4 11.823 -9.366 -2.171 1.00 0.00 N ATOM 31 CA GLY A 4 11.513 -9.012 -0.798 1.00 0.00 C ATOM 32 C GLY A 4 11.518 -10.214 0.125 1.00 0.00 C ATOM 33 O GLY A 4 12.045 -11.270 -0.222 1.00 0.00 O ATOM 0 H GLY A 4 12.797 -9.617 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.239 -8.281 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.534 -8.534 -0.761 1.00 0.00 H new ATOM 37 N SER A 5 10.930 -10.052 1.307 1.00 0.00 N ATOM 38 CA SER A 5 10.874 -11.131 2.286 1.00 0.00 C ATOM 39 C SER A 5 10.651 -12.476 1.600 1.00 0.00 C ATOM 40 O SER A 5 9.915 -12.570 0.619 1.00 0.00 O ATOM 41 CB SER A 5 9.757 -10.872 3.299 1.00 0.00 C ATOM 42 OG SER A 5 9.970 -9.654 3.992 1.00 0.00 O ATOM 0 H SER A 5 10.486 -9.185 1.609 1.00 0.00 H new ATOM 0 HA SER A 5 11.830 -11.163 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.796 -10.839 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.709 -11.696 4.011 1.00 0.00 H new ATOM 0 HG SER A 5 9.242 -9.510 4.632 1.00 0.00 H new ATOM 48 N SER A 6 11.293 -13.515 2.126 1.00 0.00 N ATOM 49 CA SER A 6 11.170 -14.854 1.563 1.00 0.00 C ATOM 50 C SER A 6 11.129 -15.906 2.668 1.00 0.00 C ATOM 51 O SER A 6 12.069 -16.037 3.450 1.00 0.00 O ATOM 52 CB SER A 6 12.334 -15.141 0.613 1.00 0.00 C ATOM 53 OG SER A 6 13.569 -15.151 1.309 1.00 0.00 O ATOM 0 H SER A 6 11.903 -13.455 2.941 1.00 0.00 H new ATOM 0 HA SER A 6 10.235 -14.902 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.180 -16.103 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.361 -14.386 -0.172 1.00 0.00 H new ATOM 0 HG SER A 6 13.406 -15.310 2.262 1.00 0.00 H new ATOM 59 N GLY A 7 10.031 -16.653 2.725 1.00 0.00 N ATOM 60 CA GLY A 7 9.886 -17.683 3.737 1.00 0.00 C ATOM 61 C GLY A 7 8.747 -18.637 3.434 1.00 0.00 C ATOM 62 O GLY A 7 8.960 -19.711 2.870 1.00 0.00 O ATOM 0 H GLY A 7 9.239 -16.563 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.816 -18.246 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.715 -17.214 4.706 1.00 0.00 H new ATOM 66 N LEU A 8 7.535 -18.246 3.812 1.00 0.00 N ATOM 67 CA LEU A 8 6.357 -19.075 3.579 1.00 0.00 C ATOM 68 C LEU A 8 5.164 -18.221 3.160 1.00 0.00 C ATOM 69 O LEU A 8 4.808 -17.259 3.839 1.00 0.00 O ATOM 70 CB LEU A 8 6.012 -19.870 4.840 1.00 0.00 C ATOM 71 CG LEU A 8 7.048 -20.902 5.287 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.053 -20.270 6.238 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.365 -22.093 5.944 1.00 0.00 C ATOM 0 H LEU A 8 7.342 -17.361 4.281 1.00 0.00 H new ATOM 0 HA LEU A 8 6.585 -19.769 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.854 -19.166 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.065 -20.384 4.674 1.00 0.00 H new ATOM 0 HG LEU A 8 7.584 -21.257 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.783 -21.019 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.565 -19.450 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.532 -19.888 7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.117 -22.817 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.803 -21.755 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.684 -22.560 5.232 1.00 0.00 H new ATOM 85 N ASN A 9 4.551 -18.581 2.038 1.00 0.00 N ATOM 86 CA ASN A 9 3.397 -17.849 1.529 1.00 0.00 C ATOM 87 C ASN A 9 2.187 -18.768 1.391 1.00 0.00 C ATOM 88 O ASN A 9 2.153 -19.642 0.524 1.00 0.00 O ATOM 89 CB ASN A 9 3.725 -17.214 0.176 1.00 0.00 C ATOM 90 CG ASN A 9 2.531 -16.510 -0.438 1.00 0.00 C ATOM 91 OD1 ASN A 9 1.397 -16.977 -0.328 1.00 0.00 O ATOM 92 ND2 ASN A 9 2.780 -15.381 -1.089 1.00 0.00 N ATOM 0 H ASN A 9 4.834 -19.375 1.464 1.00 0.00 H new ATOM 0 HA ASN A 9 3.154 -17.062 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.539 -16.500 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.079 -17.985 -0.508 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.016 -14.863 -1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.736 -15.031 -1.155 1.00 0.00 H new ATOM 99 N ASP A 10 1.195 -18.564 2.251 1.00 0.00 N ATOM 100 CA ASP A 10 -0.018 -19.373 2.226 1.00 0.00 C ATOM 101 C ASP A 10 -1.212 -18.547 1.756 1.00 0.00 C ATOM 102 O ASP A 10 -1.290 -17.346 2.017 1.00 0.00 O ATOM 103 CB ASP A 10 -0.298 -19.955 3.612 1.00 0.00 C ATOM 104 CG ASP A 10 0.578 -21.152 3.925 1.00 0.00 C ATOM 105 OD1 ASP A 10 0.379 -22.214 3.298 1.00 0.00 O ATOM 106 OD2 ASP A 10 1.463 -21.027 4.797 1.00 0.00 O ATOM 0 H ASP A 10 1.207 -17.845 2.974 1.00 0.00 H new ATOM 0 HA ASP A 10 0.135 -20.191 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.138 -19.184 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.346 -20.249 3.675 1.00 0.00 H new ATOM 111 N LEU A 11 -2.139 -19.198 1.062 1.00 0.00 N ATOM 112 CA LEU A 11 -3.329 -18.524 0.555 1.00 0.00 C ATOM 113 C LEU A 11 -4.497 -18.680 1.523 1.00 0.00 C ATOM 114 O LEU A 11 -4.537 -19.619 2.319 1.00 0.00 O ATOM 115 CB LEU A 11 -3.710 -19.083 -0.817 1.00 0.00 C ATOM 116 CG LEU A 11 -2.636 -18.991 -1.901 1.00 0.00 C ATOM 117 CD1 LEU A 11 -3.043 -19.795 -3.126 1.00 0.00 C ATOM 118 CD2 LEU A 11 -2.379 -17.538 -2.276 1.00 0.00 C ATOM 0 H LEU A 11 -2.089 -20.192 0.838 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.102 -17.462 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.987 -20.130 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.598 -18.557 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.712 -19.413 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.266 -19.717 -3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.175 -20.841 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.980 -19.404 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.612 -17.492 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.299 -17.091 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.042 -16.989 -1.397 1.00 0.00 H new ATOM 130 N LYS A 12 -5.449 -17.756 1.448 1.00 0.00 N ATOM 131 CA LYS A 12 -6.621 -17.792 2.314 1.00 0.00 C ATOM 132 C LYS A 12 -7.848 -17.242 1.593 1.00 0.00 C ATOM 133 O LYS A 12 -7.842 -16.107 1.119 1.00 0.00 O ATOM 134 CB LYS A 12 -6.363 -16.986 3.590 1.00 0.00 C ATOM 135 CG LYS A 12 -7.119 -17.506 4.800 1.00 0.00 C ATOM 136 CD LYS A 12 -6.307 -18.538 5.565 1.00 0.00 C ATOM 137 CE LYS A 12 -6.533 -19.940 5.020 1.00 0.00 C ATOM 138 NZ LYS A 12 -5.981 -20.983 5.928 1.00 0.00 N ATOM 0 H LYS A 12 -5.431 -16.972 0.795 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.813 -18.831 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.295 -16.997 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.642 -15.947 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.367 -16.675 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.061 -17.949 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.248 -18.288 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.580 -18.508 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.601 -20.108 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.066 -20.028 4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.155 -21.924 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.957 -20.838 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.445 -20.916 6.856 1.00 0.00 H new ATOM 152 N GLU A 13 -8.897 -18.055 1.516 1.00 0.00 N ATOM 153 CA GLU A 13 -10.130 -17.648 0.852 1.00 0.00 C ATOM 154 C GLU A 13 -11.088 -16.990 1.841 1.00 0.00 C ATOM 155 O GLU A 13 -12.305 -17.142 1.738 1.00 0.00 O ATOM 156 CB GLU A 13 -10.806 -18.855 0.198 1.00 0.00 C ATOM 157 CG GLU A 13 -11.404 -19.833 1.196 1.00 0.00 C ATOM 158 CD GLU A 13 -10.399 -20.860 1.681 1.00 0.00 C ATOM 159 OE1 GLU A 13 -9.850 -21.598 0.837 1.00 0.00 O ATOM 160 OE2 GLU A 13 -10.161 -20.924 2.906 1.00 0.00 O ATOM 0 H GLU A 13 -8.918 -18.998 1.905 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.874 -16.922 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.593 -18.503 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.076 -19.379 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.795 -19.281 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.248 -20.346 0.735 1.00 0.00 H new ATOM 167 N SER A 14 -10.528 -16.258 2.799 1.00 0.00 N ATOM 168 CA SER A 14 -11.331 -15.579 3.810 1.00 0.00 C ATOM 169 C SER A 14 -11.231 -14.065 3.656 1.00 0.00 C ATOM 170 O SER A 14 -10.257 -13.548 3.108 1.00 0.00 O ATOM 171 CB SER A 14 -10.880 -15.992 5.212 1.00 0.00 C ATOM 172 OG SER A 14 -10.848 -17.403 5.343 1.00 0.00 O ATOM 0 H SER A 14 -9.522 -16.120 2.896 1.00 0.00 H new ATOM 0 HA SER A 14 -12.371 -15.873 3.670 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.890 -15.582 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.558 -15.570 5.954 1.00 0.00 H new ATOM 0 HG SER A 14 -10.555 -17.641 6.247 1.00 0.00 H new ATOM 178 N SER A 15 -12.246 -13.358 4.144 1.00 0.00 N ATOM 179 CA SER A 15 -12.275 -11.903 4.059 1.00 0.00 C ATOM 180 C SER A 15 -11.942 -11.272 5.407 1.00 0.00 C ATOM 181 O SER A 15 -12.797 -11.173 6.287 1.00 0.00 O ATOM 182 CB SER A 15 -13.650 -11.426 3.586 1.00 0.00 C ATOM 183 OG SER A 15 -13.870 -11.770 2.229 1.00 0.00 O ATOM 0 H SER A 15 -13.059 -13.770 4.602 1.00 0.00 H new ATOM 0 HA SER A 15 -11.521 -11.592 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.427 -11.871 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.725 -10.345 3.707 1.00 0.00 H new ATOM 0 HG SER A 15 -14.756 -11.456 1.951 1.00 0.00 H new ATOM 189 N ASN A 16 -10.692 -10.847 5.562 1.00 0.00 N ATOM 190 CA ASN A 16 -10.244 -10.226 6.804 1.00 0.00 C ATOM 191 C ASN A 16 -9.496 -8.927 6.523 1.00 0.00 C ATOM 192 O ASN A 16 -9.932 -7.849 6.924 1.00 0.00 O ATOM 193 CB ASN A 16 -9.345 -11.188 7.583 1.00 0.00 C ATOM 194 CG ASN A 16 -10.130 -12.296 8.258 1.00 0.00 C ATOM 195 OD1 ASN A 16 -11.337 -12.176 8.470 1.00 0.00 O ATOM 196 ND2 ASN A 16 -9.446 -13.381 8.600 1.00 0.00 N ATOM 0 H ASN A 16 -9.972 -10.921 4.844 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.124 -9.995 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.613 -11.627 6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.788 -10.631 8.336 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.920 -14.159 9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.446 -13.436 8.404 1.00 0.00 H new ATOM 203 N ASN A 17 -8.367 -9.038 5.830 1.00 0.00 N ATOM 204 CA ASN A 17 -7.558 -7.872 5.495 1.00 0.00 C ATOM 205 C ASN A 17 -7.691 -7.524 4.015 1.00 0.00 C ATOM 206 O ASN A 17 -8.288 -8.274 3.242 1.00 0.00 O ATOM 207 CB ASN A 17 -6.090 -8.127 5.840 1.00 0.00 C ATOM 208 CG ASN A 17 -5.616 -9.491 5.376 1.00 0.00 C ATOM 209 OD1 ASN A 17 -4.900 -9.607 4.382 1.00 0.00 O ATOM 210 ND2 ASN A 17 -6.015 -10.533 6.097 1.00 0.00 N ATOM 0 H ASN A 17 -7.992 -9.923 5.490 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.921 -7.029 6.083 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.472 -7.355 5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.953 -8.045 6.918 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.728 -11.476 5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.609 -10.390 6.914 1.00 0.00 H new ATOM 217 N ARG A 18 -7.130 -6.383 3.629 1.00 0.00 N ATOM 218 CA ARG A 18 -7.187 -5.935 2.242 1.00 0.00 C ATOM 219 C ARG A 18 -5.799 -5.958 1.607 1.00 0.00 C ATOM 220 O ARG A 18 -4.786 -6.010 2.304 1.00 0.00 O ATOM 221 CB ARG A 18 -7.773 -4.525 2.163 1.00 0.00 C ATOM 222 CG ARG A 18 -9.287 -4.501 2.034 1.00 0.00 C ATOM 223 CD ARG A 18 -9.769 -3.227 1.357 1.00 0.00 C ATOM 224 NE ARG A 18 -11.226 -3.135 1.337 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.995 -3.842 0.516 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.449 -4.688 -0.346 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.314 -3.703 0.557 1.00 0.00 N ATOM 0 H ARG A 18 -6.631 -5.752 4.256 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.832 -6.620 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.484 -3.970 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.336 -4.006 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.618 -5.367 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.739 -4.582 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.358 -2.362 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.390 -3.194 0.336 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.678 -2.493 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.436 -4.798 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.042 -5.229 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.738 -3.053 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.904 -4.246 -0.074 1.00 0.00 H new ATOM 241 N LYS A 19 -5.762 -5.919 0.279 1.00 0.00 N ATOM 242 CA LYS A 19 -4.500 -5.934 -0.451 1.00 0.00 C ATOM 243 C LYS A 19 -4.441 -4.790 -1.458 1.00 0.00 C ATOM 244 O LYS A 19 -5.414 -4.518 -2.161 1.00 0.00 O ATOM 245 CB LYS A 19 -4.321 -7.272 -1.172 1.00 0.00 C ATOM 246 CG LYS A 19 -4.073 -8.440 -0.234 1.00 0.00 C ATOM 247 CD LYS A 19 -2.598 -8.580 0.104 1.00 0.00 C ATOM 248 CE LYS A 19 -2.243 -10.015 0.465 1.00 0.00 C ATOM 249 NZ LYS A 19 -1.086 -10.081 1.401 1.00 0.00 N ATOM 0 H LYS A 19 -6.591 -5.877 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.691 -5.804 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.212 -7.477 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.485 -7.192 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.646 -8.300 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.431 -9.361 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.997 -8.258 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.350 -7.922 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.107 -10.499 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.008 -10.570 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.929 -11.068 1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.234 -9.719 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.286 -9.503 2.242 1.00 0.00 H new ATOM 263 N ALA A 20 -3.293 -4.123 -1.523 1.00 0.00 N ATOM 264 CA ALA A 20 -3.106 -3.011 -2.447 1.00 0.00 C ATOM 265 C ALA A 20 -1.662 -2.938 -2.933 1.00 0.00 C ATOM 266 O ALA A 20 -0.741 -3.371 -2.240 1.00 0.00 O ATOM 267 CB ALA A 20 -3.509 -1.702 -1.784 1.00 0.00 C ATOM 0 H ALA A 20 -2.478 -4.334 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.745 -3.179 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.364 -0.880 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.558 -1.750 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.893 -1.537 -0.900 1.00 0.00 H new ATOM 273 N ARG A 21 -1.473 -2.387 -4.127 1.00 0.00 N ATOM 274 CA ARG A 21 -0.141 -2.259 -4.707 1.00 0.00 C ATOM 275 C ARG A 21 0.378 -0.831 -4.567 1.00 0.00 C ATOM 276 O ARG A 21 -0.350 0.132 -4.810 1.00 0.00 O ATOM 277 CB ARG A 21 -0.162 -2.663 -6.182 1.00 0.00 C ATOM 278 CG ARG A 21 1.073 -2.223 -6.952 1.00 0.00 C ATOM 279 CD ARG A 21 0.878 -2.376 -8.452 1.00 0.00 C ATOM 280 NE ARG A 21 0.025 -1.326 -9.003 1.00 0.00 N ATOM 281 CZ ARG A 21 -0.175 -1.150 -10.304 1.00 0.00 C ATOM 282 NH1 ARG A 21 0.412 -1.950 -11.183 1.00 0.00 N ATOM 283 NH2 ARG A 21 -0.965 -0.171 -10.728 1.00 0.00 N ATOM 0 H ARG A 21 -2.225 -2.022 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 21 0.529 -2.926 -4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.256 -3.747 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.046 -2.235 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.298 -1.183 -6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.932 -2.814 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.848 -2.352 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.436 -3.350 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.442 -0.694 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.019 -2.703 -10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.256 -1.812 -12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.419 0.446 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.118 -0.036 -11.727 1.00 0.00 H new ATOM 297 N VAL A 22 1.640 -0.702 -4.172 1.00 0.00 N ATOM 298 CA VAL A 22 2.257 0.608 -3.999 1.00 0.00 C ATOM 299 C VAL A 22 2.609 1.232 -5.346 1.00 0.00 C ATOM 300 O VAL A 22 3.222 0.589 -6.199 1.00 0.00 O ATOM 301 CB VAL A 22 3.531 0.520 -3.139 1.00 0.00 C ATOM 302 CG1 VAL A 22 4.252 1.859 -3.113 1.00 0.00 C ATOM 303 CG2 VAL A 22 3.191 0.061 -1.729 1.00 0.00 C ATOM 0 H VAL A 22 2.256 -1.489 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 22 1.527 1.236 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 22 4.199 -0.216 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.150 1.777 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.530 2.142 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.594 2.619 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.103 0.004 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.503 0.772 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.723 -0.922 -1.769 1.00 0.00 H new ATOM 313 N LEU A 23 2.217 2.487 -5.530 1.00 0.00 N ATOM 314 CA LEU A 23 2.491 3.200 -6.773 1.00 0.00 C ATOM 315 C LEU A 23 3.818 3.946 -6.692 1.00 0.00 C ATOM 316 O LEU A 23 4.488 4.155 -7.704 1.00 0.00 O ATOM 317 CB LEU A 23 1.359 4.181 -7.082 1.00 0.00 C ATOM 318 CG LEU A 23 -0.058 3.684 -6.792 1.00 0.00 C ATOM 319 CD1 LEU A 23 -1.081 4.755 -7.140 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.342 2.402 -7.561 1.00 0.00 C ATOM 0 H LEU A 23 1.708 3.033 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 23 2.557 2.466 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.528 5.092 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.419 4.453 -8.136 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.136 3.469 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.083 4.384 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.891 5.647 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.003 5.002 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.355 2.063 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.245 2.590 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.370 1.633 -7.262 1.00 0.00 H new ATOM 332 N TYR A 24 4.194 4.344 -5.482 1.00 0.00 N ATOM 333 CA TYR A 24 5.442 5.068 -5.268 1.00 0.00 C ATOM 334 C TYR A 24 5.995 4.799 -3.872 1.00 0.00 C ATOM 335 O TYR A 24 5.240 4.654 -2.910 1.00 0.00 O ATOM 336 CB TYR A 24 5.225 6.569 -5.462 1.00 0.00 C ATOM 337 CG TYR A 24 4.254 6.902 -6.573 1.00 0.00 C ATOM 338 CD1 TYR A 24 2.889 6.988 -6.328 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.703 7.132 -7.868 1.00 0.00 C ATOM 340 CE1 TYR A 24 1.999 7.291 -7.340 1.00 0.00 C ATOM 341 CE2 TYR A 24 3.820 7.437 -8.886 1.00 0.00 C ATOM 342 CZ TYR A 24 2.470 7.515 -8.617 1.00 0.00 C ATOM 343 OH TYR A 24 1.586 7.818 -9.628 1.00 0.00 O ATOM 0 H TYR A 24 3.652 4.178 -4.634 1.00 0.00 H new ATOM 0 HA TYR A 24 6.167 4.715 -6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.858 6.998 -4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.184 7.042 -5.675 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.517 6.815 -5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.760 7.071 -8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.941 7.352 -7.133 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.185 7.613 -9.887 1.00 0.00 H new ATOM 0 HH TYR A 24 2.079 7.948 -10.465 1.00 0.00 H new ATOM 353 N ASP A 25 7.318 4.735 -3.769 1.00 0.00 N ATOM 354 CA ASP A 25 7.975 4.486 -2.491 1.00 0.00 C ATOM 355 C ASP A 25 7.658 5.594 -1.492 1.00 0.00 C ATOM 356 O ASP A 25 7.832 6.777 -1.786 1.00 0.00 O ATOM 357 CB ASP A 25 9.488 4.373 -2.685 1.00 0.00 C ATOM 358 CG ASP A 25 10.036 5.448 -3.603 1.00 0.00 C ATOM 359 OD1 ASP A 25 10.001 5.249 -4.835 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.499 6.488 -3.089 1.00 0.00 O ATOM 0 H ASP A 25 7.957 4.852 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 25 7.597 3.544 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.982 4.441 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.726 3.392 -3.096 1.00 0.00 H new ATOM 365 N TYR A 26 7.191 5.204 -0.311 1.00 0.00 N ATOM 366 CA TYR A 26 6.847 6.164 0.730 1.00 0.00 C ATOM 367 C TYR A 26 7.856 6.114 1.873 1.00 0.00 C ATOM 368 O TYR A 26 8.269 5.037 2.305 1.00 0.00 O ATOM 369 CB TYR A 26 5.441 5.886 1.264 1.00 0.00 C ATOM 370 CG TYR A 26 5.123 6.624 2.545 1.00 0.00 C ATOM 371 CD1 TYR A 26 4.703 7.948 2.521 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.241 5.997 3.779 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.412 8.627 3.689 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.951 6.667 4.952 1.00 0.00 C ATOM 375 CZ TYR A 26 4.538 7.981 4.902 1.00 0.00 C ATOM 376 OH TYR A 26 4.248 8.653 6.067 1.00 0.00 O ATOM 0 H TYR A 26 7.042 4.229 -0.051 1.00 0.00 H new ATOM 0 HA TYR A 26 6.872 7.162 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.711 6.164 0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.331 4.815 1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.602 8.456 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.565 4.968 3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.088 9.657 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.047 6.164 5.903 1.00 0.00 H new ATOM 0 HH TYR A 26 4.975 8.521 6.710 1.00 0.00 H new ATOM 386 N ASP A 27 8.249 7.286 2.358 1.00 0.00 N ATOM 387 CA ASP A 27 9.209 7.378 3.453 1.00 0.00 C ATOM 388 C ASP A 27 8.502 7.679 4.771 1.00 0.00 C ATOM 389 O ASP A 27 8.027 8.792 4.992 1.00 0.00 O ATOM 390 CB ASP A 27 10.248 8.461 3.158 1.00 0.00 C ATOM 391 CG ASP A 27 9.616 9.762 2.703 1.00 0.00 C ATOM 392 OD1 ASP A 27 8.388 9.915 2.871 1.00 0.00 O ATOM 393 OD2 ASP A 27 10.349 10.626 2.177 1.00 0.00 O ATOM 0 H ASP A 27 7.918 8.186 2.011 1.00 0.00 H new ATOM 0 HA ASP A 27 9.714 6.416 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.843 8.643 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.932 8.104 2.388 1.00 0.00 H new ATOM 398 N ALA A 28 8.437 6.678 5.643 1.00 0.00 N ATOM 399 CA ALA A 28 7.790 6.835 6.939 1.00 0.00 C ATOM 400 C ALA A 28 8.524 7.858 7.799 1.00 0.00 C ATOM 401 O ALA A 28 9.746 7.805 7.937 1.00 0.00 O ATOM 402 CB ALA A 28 7.715 5.496 7.658 1.00 0.00 C ATOM 0 H ALA A 28 8.825 5.750 5.475 1.00 0.00 H new ATOM 0 HA ALA A 28 6.777 7.201 6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.229 5.629 8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.140 4.792 7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.722 5.107 7.808 1.00 0.00 H new ATOM 408 N ALA A 29 7.771 8.790 8.375 1.00 0.00 N ATOM 409 CA ALA A 29 8.351 9.825 9.222 1.00 0.00 C ATOM 410 C ALA A 29 8.758 9.259 10.579 1.00 0.00 C ATOM 411 O ALA A 29 9.734 9.705 11.180 1.00 0.00 O ATOM 412 CB ALA A 29 7.369 10.973 9.399 1.00 0.00 C ATOM 0 H ALA A 29 6.758 8.849 8.270 1.00 0.00 H new ATOM 0 HA ALA A 29 9.248 10.202 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.815 11.739 10.034 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.131 11.402 8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.456 10.602 9.865 1.00 0.00 H new ATOM 418 N ASN A 30 8.001 8.276 11.056 1.00 0.00 N ATOM 419 CA ASN A 30 8.282 7.651 12.343 1.00 0.00 C ATOM 420 C ASN A 30 7.610 6.285 12.442 1.00 0.00 C ATOM 421 O ASN A 30 6.940 5.842 11.510 1.00 0.00 O ATOM 422 CB ASN A 30 7.806 8.550 13.485 1.00 0.00 C ATOM 423 CG ASN A 30 6.301 8.738 13.485 1.00 0.00 C ATOM 424 OD1 ASN A 30 5.641 8.552 14.507 1.00 0.00 O ATOM 425 ND2 ASN A 30 5.752 9.108 12.334 1.00 0.00 N ATOM 0 H ASN A 30 7.189 7.895 10.571 1.00 0.00 H new ATOM 0 HA ASN A 30 9.360 7.513 12.424 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.115 8.118 14.437 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.291 9.523 13.404 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.744 9.250 12.272 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.339 9.251 11.512 1.00 0.00 H new ATOM 432 N SER A 31 7.795 5.622 13.580 1.00 0.00 N ATOM 433 CA SER A 31 7.210 4.305 13.801 1.00 0.00 C ATOM 434 C SER A 31 5.745 4.283 13.374 1.00 0.00 C ATOM 435 O SER A 31 5.327 3.433 12.587 1.00 0.00 O ATOM 436 CB SER A 31 7.330 3.911 15.274 1.00 0.00 C ATOM 437 OG SER A 31 7.376 2.502 15.423 1.00 0.00 O ATOM 0 H SER A 31 8.345 5.976 14.363 1.00 0.00 H new ATOM 0 HA SER A 31 7.758 3.584 13.194 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.230 4.354 15.700 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.483 4.311 15.831 1.00 0.00 H new ATOM 0 HG SER A 31 7.454 2.276 16.373 1.00 0.00 H new ATOM 443 N THR A 32 4.968 5.225 13.900 1.00 0.00 N ATOM 444 CA THR A 32 3.549 5.314 13.577 1.00 0.00 C ATOM 445 C THR A 32 3.310 5.087 12.088 1.00 0.00 C ATOM 446 O THR A 32 2.247 4.614 11.687 1.00 0.00 O ATOM 447 CB THR A 32 2.967 6.683 13.976 1.00 0.00 C ATOM 448 OG1 THR A 32 3.674 7.731 13.302 1.00 0.00 O ATOM 449 CG2 THR A 32 3.056 6.891 15.480 1.00 0.00 C ATOM 0 H THR A 32 5.298 5.937 14.552 1.00 0.00 H new ATOM 0 HA THR A 32 3.045 4.534 14.147 1.00 0.00 H new ATOM 0 HB THR A 32 1.917 6.706 13.683 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.073 8.334 13.963 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.639 7.864 15.738 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.493 6.109 15.989 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.100 6.849 15.792 1.00 0.00 H new ATOM 457 N GLU A 33 4.305 5.428 11.275 1.00 0.00 N ATOM 458 CA GLU A 33 4.200 5.261 9.830 1.00 0.00 C ATOM 459 C GLU A 33 5.151 4.173 9.338 1.00 0.00 C ATOM 460 O GLU A 33 6.195 3.925 9.943 1.00 0.00 O ATOM 461 CB GLU A 33 4.505 6.580 9.118 1.00 0.00 C ATOM 462 CG GLU A 33 3.538 7.699 9.469 1.00 0.00 C ATOM 463 CD GLU A 33 4.160 9.074 9.323 1.00 0.00 C ATOM 464 OE1 GLU A 33 5.003 9.251 8.418 1.00 0.00 O ATOM 465 OE2 GLU A 33 3.805 9.973 10.114 1.00 0.00 O ATOM 0 H GLU A 33 5.191 5.821 11.592 1.00 0.00 H new ATOM 0 HA GLU A 33 3.179 4.959 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.518 6.894 9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.482 6.416 8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.661 7.631 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.193 7.567 10.494 1.00 0.00 H new ATOM 472 N LEU A 34 4.782 3.527 8.237 1.00 0.00 N ATOM 473 CA LEU A 34 5.601 2.465 7.663 1.00 0.00 C ATOM 474 C LEU A 34 6.126 2.866 6.288 1.00 0.00 C ATOM 475 O LEU A 34 5.481 3.623 5.563 1.00 0.00 O ATOM 476 CB LEU A 34 4.791 1.172 7.555 1.00 0.00 C ATOM 477 CG LEU A 34 4.895 0.215 8.743 1.00 0.00 C ATOM 478 CD1 LEU A 34 4.011 -1.004 8.525 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.341 -0.206 8.965 1.00 0.00 C ATOM 0 H LEU A 34 3.922 3.720 7.724 1.00 0.00 H new ATOM 0 HA LEU A 34 6.453 2.299 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.742 1.434 7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.109 0.641 6.657 1.00 0.00 H new ATOM 0 HG LEU A 34 4.548 0.736 9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.098 -1.674 9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.974 -0.687 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.327 -1.526 7.622 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.395 -0.887 9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.715 -0.708 8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.950 0.675 9.167 1.00 0.00 H new ATOM 491 N SER A 35 7.300 2.351 5.935 1.00 0.00 N ATOM 492 CA SER A 35 7.913 2.656 4.648 1.00 0.00 C ATOM 493 C SER A 35 7.353 1.753 3.552 1.00 0.00 C ATOM 494 O SER A 35 7.145 0.557 3.763 1.00 0.00 O ATOM 495 CB SER A 35 9.432 2.494 4.731 1.00 0.00 C ATOM 496 OG SER A 35 10.016 3.546 5.480 1.00 0.00 O ATOM 0 H SER A 35 7.845 1.721 6.523 1.00 0.00 H new ATOM 0 HA SER A 35 7.678 3.691 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.674 1.537 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.855 2.480 3.727 1.00 0.00 H new ATOM 0 HG SER A 35 10.987 3.419 5.520 1.00 0.00 H new ATOM 502 N LEU A 36 7.112 2.334 2.382 1.00 0.00 N ATOM 503 CA LEU A 36 6.576 1.583 1.252 1.00 0.00 C ATOM 504 C LEU A 36 7.526 1.642 0.060 1.00 0.00 C ATOM 505 O LEU A 36 8.303 2.588 -0.083 1.00 0.00 O ATOM 506 CB LEU A 36 5.205 2.132 0.853 1.00 0.00 C ATOM 507 CG LEU A 36 4.214 2.357 1.996 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.950 3.028 1.482 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.881 1.039 2.679 1.00 0.00 C ATOM 0 H LEU A 36 7.279 3.322 2.191 1.00 0.00 H new ATOM 0 HA LEU A 36 6.469 0.542 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.352 3.079 0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.754 1.444 0.138 1.00 0.00 H new ATOM 0 HG LEU A 36 4.678 3.017 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.257 3.180 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.204 3.991 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.482 2.394 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.175 1.218 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.437 0.356 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.792 0.598 3.082 1.00 0.00 H new ATOM 521 N LEU A 37 7.458 0.627 -0.794 1.00 0.00 N ATOM 522 CA LEU A 37 8.311 0.564 -1.976 1.00 0.00 C ATOM 523 C LEU A 37 7.475 0.568 -3.252 1.00 0.00 C ATOM 524 O LEU A 37 6.344 0.083 -3.267 1.00 0.00 O ATOM 525 CB LEU A 37 9.187 -0.689 -1.931 1.00 0.00 C ATOM 526 CG LEU A 37 10.423 -0.612 -1.035 1.00 0.00 C ATOM 527 CD1 LEU A 37 11.005 -1.999 -0.807 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.467 0.312 -1.645 1.00 0.00 C ATOM 0 H LEU A 37 6.822 -0.163 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 37 8.950 1.447 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.573 -1.525 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.512 -0.917 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 37 10.123 -0.203 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.884 -1.924 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.259 -2.632 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.289 -2.436 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.340 0.355 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.762 -0.068 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.048 1.312 -1.756 1.00 0.00 H new ATOM 540 N ALA A 38 8.040 1.119 -4.322 1.00 0.00 N ATOM 541 CA ALA A 38 7.348 1.182 -5.603 1.00 0.00 C ATOM 542 C ALA A 38 7.206 -0.205 -6.220 1.00 0.00 C ATOM 543 O ALA A 38 8.185 -0.941 -6.348 1.00 0.00 O ATOM 544 CB ALA A 38 8.086 2.112 -6.555 1.00 0.00 C ATOM 0 H ALA A 38 8.975 1.528 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 38 6.347 1.577 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.559 2.150 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.131 3.112 -6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.098 1.740 -6.715 1.00 0.00 H new ATOM 550 N ASP A 39 5.983 -0.556 -6.600 1.00 0.00 N ATOM 551 CA ASP A 39 5.713 -1.856 -7.204 1.00 0.00 C ATOM 552 C ASP A 39 5.734 -2.959 -6.151 1.00 0.00 C ATOM 553 O ASP A 39 6.302 -4.029 -6.371 1.00 0.00 O ATOM 554 CB ASP A 39 6.740 -2.157 -8.297 1.00 0.00 C ATOM 555 CG ASP A 39 7.070 -0.936 -9.133 1.00 0.00 C ATOM 556 OD1 ASP A 39 6.196 -0.495 -9.908 1.00 0.00 O ATOM 557 OD2 ASP A 39 8.202 -0.424 -9.014 1.00 0.00 O ATOM 0 H ASP A 39 5.162 0.041 -6.501 1.00 0.00 H new ATOM 0 HA ASP A 39 4.719 -1.823 -7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.653 -2.538 -7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.356 -2.945 -8.945 1.00 0.00 H new ATOM 562 N GLU A 40 5.113 -2.691 -5.007 1.00 0.00 N ATOM 563 CA GLU A 40 5.063 -3.661 -3.919 1.00 0.00 C ATOM 564 C GLU A 40 3.674 -3.701 -3.289 1.00 0.00 C ATOM 565 O GLU A 40 3.102 -2.663 -2.953 1.00 0.00 O ATOM 566 CB GLU A 40 6.109 -3.321 -2.855 1.00 0.00 C ATOM 567 CG GLU A 40 5.565 -2.476 -1.716 1.00 0.00 C ATOM 568 CD GLU A 40 6.537 -2.364 -0.557 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.527 -3.125 -0.538 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.308 -1.515 0.330 1.00 0.00 O ATOM 0 H GLU A 40 4.638 -1.811 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 40 5.283 -4.645 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.515 -4.247 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.936 -2.791 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.332 -1.478 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.630 -2.910 -1.361 1.00 0.00 H new ATOM 577 N VAL A 41 3.136 -4.906 -3.132 1.00 0.00 N ATOM 578 CA VAL A 41 1.815 -5.082 -2.541 1.00 0.00 C ATOM 579 C VAL A 41 1.916 -5.606 -1.113 1.00 0.00 C ATOM 580 O VAL A 41 2.644 -6.561 -0.842 1.00 0.00 O ATOM 581 CB VAL A 41 0.954 -6.053 -3.372 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.319 -6.413 -2.623 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.630 -5.448 -4.730 1.00 0.00 C ATOM 0 H VAL A 41 3.595 -5.775 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 41 1.339 -4.101 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 41 1.523 -6.969 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.914 -7.099 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.062 -6.890 -1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.895 -5.508 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.021 -6.147 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.080 -4.517 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.556 -5.246 -5.269 1.00 0.00 H new ATOM 593 N ILE A 42 1.181 -4.975 -0.204 1.00 0.00 N ATOM 594 CA ILE A 42 1.187 -5.378 1.197 1.00 0.00 C ATOM 595 C ILE A 42 -0.233 -5.503 1.739 1.00 0.00 C ATOM 596 O ILE A 42 -1.204 -5.209 1.041 1.00 0.00 O ATOM 597 CB ILE A 42 1.971 -4.378 2.067 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.356 -2.982 1.957 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.435 -4.352 1.655 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.735 -2.063 3.098 1.00 0.00 C ATOM 0 H ILE A 42 0.574 -4.182 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 42 1.678 -6.350 1.244 1.00 0.00 H new ATOM 0 HB ILE A 42 1.912 -4.699 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.670 -2.529 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.270 -3.074 1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.976 -3.641 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.866 -5.345 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.514 -4.051 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.263 -1.091 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.397 -2.494 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.818 -1.941 3.122 1.00 0.00 H new ATOM 612 N THR A 43 -0.347 -5.939 2.989 1.00 0.00 N ATOM 613 CA THR A 43 -1.647 -6.103 3.626 1.00 0.00 C ATOM 614 C THR A 43 -2.096 -4.811 4.300 1.00 0.00 C ATOM 615 O THR A 43 -1.433 -4.310 5.208 1.00 0.00 O ATOM 616 CB THR A 43 -1.622 -7.232 4.674 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.335 -8.483 4.038 1.00 0.00 O ATOM 618 CG2 THR A 43 -2.954 -7.322 5.404 1.00 0.00 C ATOM 0 H THR A 43 0.446 -6.185 3.581 1.00 0.00 H new ATOM 0 HA THR A 43 -2.353 -6.364 2.838 1.00 0.00 H new ATOM 0 HB THR A 43 -0.842 -7.007 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.319 -9.196 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.913 -8.126 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.156 -6.378 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.749 -7.527 4.687 1.00 0.00 H new ATOM 626 N VAL A 44 -3.226 -4.275 3.849 1.00 0.00 N ATOM 627 CA VAL A 44 -3.764 -3.041 4.410 1.00 0.00 C ATOM 628 C VAL A 44 -5.125 -3.279 5.055 1.00 0.00 C ATOM 629 O VAL A 44 -5.858 -4.189 4.667 1.00 0.00 O ATOM 630 CB VAL A 44 -3.903 -1.949 3.333 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.552 -1.649 2.700 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.915 -2.368 2.277 1.00 0.00 C ATOM 0 H VAL A 44 -3.786 -4.676 3.097 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.059 -2.704 5.170 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.265 -1.037 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.669 -0.875 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.860 -1.303 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.158 -2.554 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.001 -1.585 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.585 -3.292 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.886 -2.528 2.746 1.00 0.00 H new ATOM 642 N PHE A 45 -5.457 -2.454 6.043 1.00 0.00 N ATOM 643 CA PHE A 45 -6.730 -2.575 6.744 1.00 0.00 C ATOM 644 C PHE A 45 -7.033 -1.310 7.542 1.00 0.00 C ATOM 645 O PHE A 45 -6.135 -0.696 8.118 1.00 0.00 O ATOM 646 CB PHE A 45 -6.710 -3.787 7.677 1.00 0.00 C ATOM 647 CG PHE A 45 -5.530 -3.810 8.606 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.246 -3.970 8.112 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.706 -3.672 9.973 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.158 -3.991 8.964 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.622 -3.692 10.830 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.346 -3.853 10.325 1.00 0.00 C ATOM 0 H PHE A 45 -4.862 -1.695 6.376 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.515 -2.711 6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.627 -3.796 8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.708 -4.697 7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.093 -4.080 7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.701 -3.547 10.373 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.162 -4.115 8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.772 -3.582 11.894 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.498 -3.871 10.993 1.00 0.00 H new ATOM 662 N SER A 46 -8.305 -0.926 7.570 1.00 0.00 N ATOM 663 CA SER A 46 -8.727 0.268 8.293 1.00 0.00 C ATOM 664 C SER A 46 -8.892 -0.027 9.781 1.00 0.00 C ATOM 665 O SER A 46 -9.059 -1.179 10.182 1.00 0.00 O ATOM 666 CB SER A 46 -10.042 0.800 7.719 1.00 0.00 C ATOM 667 OG SER A 46 -10.338 2.088 8.230 1.00 0.00 O ATOM 0 H SER A 46 -9.061 -1.424 7.101 1.00 0.00 H new ATOM 0 HA SER A 46 -7.953 1.026 8.174 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.977 0.843 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.853 0.114 7.963 1.00 0.00 H new ATOM 0 HG SER A 46 -11.182 2.406 7.847 1.00 0.00 H new ATOM 673 N VAL A 47 -8.843 1.022 10.595 1.00 0.00 N ATOM 674 CA VAL A 47 -8.987 0.877 12.039 1.00 0.00 C ATOM 675 C VAL A 47 -9.794 2.028 12.629 1.00 0.00 C ATOM 676 O VAL A 47 -9.520 3.197 12.356 1.00 0.00 O ATOM 677 CB VAL A 47 -7.616 0.815 12.737 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.756 0.246 14.141 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.636 -0.009 11.914 1.00 0.00 C ATOM 0 H VAL A 47 -8.705 1.982 10.279 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.516 -0.060 12.211 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.224 1.829 12.819 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.777 0.210 14.618 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.422 0.881 14.726 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.170 -0.761 14.086 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.672 -0.042 12.422 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.020 -1.022 11.798 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.513 0.447 10.932 1.00 0.00 H new ATOM 689 N VAL A 48 -10.791 1.690 13.441 1.00 0.00 N ATOM 690 CA VAL A 48 -11.637 2.695 14.072 1.00 0.00 C ATOM 691 C VAL A 48 -10.846 3.960 14.387 1.00 0.00 C ATOM 692 O VAL A 48 -9.796 3.905 15.026 1.00 0.00 O ATOM 693 CB VAL A 48 -12.270 2.161 15.371 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.779 3.310 16.229 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.391 1.184 15.054 1.00 0.00 C ATOM 0 H VAL A 48 -11.032 0.727 13.677 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.429 2.933 13.362 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.504 1.629 15.936 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.223 2.913 17.142 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.949 3.968 16.485 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.531 3.873 15.675 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.827 0.817 15.983 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.159 1.689 14.468 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.992 0.345 14.484 1.00 0.00 H new ATOM 705 N GLY A 49 -11.359 5.100 13.935 1.00 0.00 N ATOM 706 CA GLY A 49 -10.688 6.364 14.179 1.00 0.00 C ATOM 707 C GLY A 49 -9.661 6.690 13.113 1.00 0.00 C ATOM 708 O GLY A 49 -9.545 7.838 12.685 1.00 0.00 O ATOM 0 H GLY A 49 -12.227 5.171 13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.429 7.163 14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.199 6.330 15.152 1.00 0.00 H new ATOM 712 N MET A 50 -8.913 5.678 12.684 1.00 0.00 N ATOM 713 CA MET A 50 -7.890 5.864 11.662 1.00 0.00 C ATOM 714 C MET A 50 -8.410 6.738 10.525 1.00 0.00 C ATOM 715 O MET A 50 -9.485 6.488 9.979 1.00 0.00 O ATOM 716 CB MET A 50 -7.435 4.511 11.113 1.00 0.00 C ATOM 717 CG MET A 50 -6.390 4.620 10.015 1.00 0.00 C ATOM 718 SD MET A 50 -4.721 4.832 10.663 1.00 0.00 S ATOM 719 CE MET A 50 -3.940 3.326 10.086 1.00 0.00 C ATOM 0 H MET A 50 -8.996 4.722 13.028 1.00 0.00 H new ATOM 0 HA MET A 50 -7.039 6.366 12.123 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.030 3.914 11.930 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.302 3.975 10.726 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.424 3.723 9.396 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.634 5.463 9.369 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.204 2.994 10.819 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.696 2.552 9.954 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.444 3.515 9.134 1.00 0.00 H new ATOM 729 N ASP A 51 -7.641 7.763 10.173 1.00 0.00 N ATOM 730 CA ASP A 51 -8.024 8.673 9.101 1.00 0.00 C ATOM 731 C ASP A 51 -8.421 7.900 7.847 1.00 0.00 C ATOM 732 O ASP A 51 -8.202 6.692 7.756 1.00 0.00 O ATOM 733 CB ASP A 51 -6.876 9.632 8.782 1.00 0.00 C ATOM 734 CG ASP A 51 -6.969 10.928 9.563 1.00 0.00 C ATOM 735 OD1 ASP A 51 -7.420 10.888 10.727 1.00 0.00 O ATOM 736 OD2 ASP A 51 -6.591 11.981 9.010 1.00 0.00 O ATOM 0 H ASP A 51 -6.749 7.984 10.615 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.885 9.249 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.927 9.144 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.878 9.854 7.715 1.00 0.00 H new ATOM 741 N SER A 52 -9.006 8.604 6.883 1.00 0.00 N ATOM 742 CA SER A 52 -9.438 7.983 5.637 1.00 0.00 C ATOM 743 C SER A 52 -8.303 7.966 4.617 1.00 0.00 C ATOM 744 O SER A 52 -8.286 7.140 3.704 1.00 0.00 O ATOM 745 CB SER A 52 -10.645 8.727 5.063 1.00 0.00 C ATOM 746 OG SER A 52 -11.634 8.937 6.055 1.00 0.00 O ATOM 0 H SER A 52 -9.192 9.605 6.941 1.00 0.00 H new ATOM 0 HA SER A 52 -9.725 6.954 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.325 9.686 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.069 8.156 4.237 1.00 0.00 H new ATOM 0 HG SER A 52 -12.394 9.416 5.663 1.00 0.00 H new ATOM 752 N ASP A 53 -7.358 8.885 4.778 1.00 0.00 N ATOM 753 CA ASP A 53 -6.218 8.977 3.873 1.00 0.00 C ATOM 754 C ASP A 53 -5.043 8.156 4.393 1.00 0.00 C ATOM 755 O ASP A 53 -3.902 8.356 3.978 1.00 0.00 O ATOM 756 CB ASP A 53 -5.797 10.437 3.695 1.00 0.00 C ATOM 757 CG ASP A 53 -6.836 11.253 2.952 1.00 0.00 C ATOM 758 OD1 ASP A 53 -6.904 11.138 1.710 1.00 0.00 O ATOM 759 OD2 ASP A 53 -7.583 12.005 3.612 1.00 0.00 O ATOM 0 H ASP A 53 -7.358 9.577 5.527 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.520 8.574 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.621 10.883 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.853 10.476 3.152 1.00 0.00 H new ATOM 764 N TRP A 54 -5.331 7.232 5.303 1.00 0.00 N ATOM 765 CA TRP A 54 -4.297 6.381 5.881 1.00 0.00 C ATOM 766 C TRP A 54 -4.878 5.042 6.321 1.00 0.00 C ATOM 767 O TRP A 54 -5.919 4.991 6.977 1.00 0.00 O ATOM 768 CB TRP A 54 -3.637 7.081 7.070 1.00 0.00 C ATOM 769 CG TRP A 54 -2.848 8.295 6.683 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.334 9.553 6.466 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.435 8.365 6.464 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.308 10.401 6.125 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.133 9.696 6.118 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.396 7.433 6.528 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.165 10.116 5.838 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.891 7.851 6.249 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.163 9.182 5.908 1.00 0.00 C ATOM 0 H TRP A 54 -6.271 7.053 5.656 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.544 6.195 5.115 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.407 7.370 7.785 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.979 6.376 7.578 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.372 9.839 6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.405 11.394 5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.595 6.405 6.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.376 11.142 5.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.702 7.139 6.295 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.180 9.477 5.696 1.00 0.00 H new ATOM 788 N LEU A 55 -4.199 3.959 5.958 1.00 0.00 N ATOM 789 CA LEU A 55 -4.649 2.618 6.316 1.00 0.00 C ATOM 790 C LEU A 55 -3.612 1.910 7.183 1.00 0.00 C ATOM 791 O LEU A 55 -2.520 2.430 7.410 1.00 0.00 O ATOM 792 CB LEU A 55 -4.923 1.797 5.055 1.00 0.00 C ATOM 793 CG LEU A 55 -6.347 1.872 4.502 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.367 1.500 3.028 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.276 0.965 5.296 1.00 0.00 C ATOM 0 H LEU A 55 -3.335 3.983 5.416 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.572 2.711 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.234 2.124 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.692 0.753 5.268 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.702 2.898 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.388 1.559 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.734 2.190 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.993 0.484 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.285 1.031 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.924 -0.065 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.285 1.278 6.340 1.00 0.00 H new ATOM 807 N MET A 56 -3.961 0.721 7.661 1.00 0.00 N ATOM 808 CA MET A 56 -3.059 -0.061 8.499 1.00 0.00 C ATOM 809 C MET A 56 -2.240 -1.033 7.657 1.00 0.00 C ATOM 810 O MET A 56 -2.733 -2.084 7.250 1.00 0.00 O ATOM 811 CB MET A 56 -3.851 -0.828 9.561 1.00 0.00 C ATOM 812 CG MET A 56 -3.089 -1.028 10.860 1.00 0.00 C ATOM 813 SD MET A 56 -2.745 0.525 11.710 1.00 0.00 S ATOM 814 CE MET A 56 -1.051 0.259 12.229 1.00 0.00 C ATOM 0 H MET A 56 -4.862 0.277 7.483 1.00 0.00 H new ATOM 0 HA MET A 56 -2.375 0.628 8.994 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.776 -0.291 9.771 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.132 -1.802 9.160 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.665 -1.678 11.518 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.149 -1.539 10.650 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.586 1.218 12.459 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.037 -0.374 13.117 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.497 -0.229 11.427 1.00 0.00 H new ATOM 824 N GLY A 57 -0.986 -0.676 7.400 1.00 0.00 N ATOM 825 CA GLY A 57 -0.119 -1.528 6.607 1.00 0.00 C ATOM 826 C GLY A 57 0.693 -2.483 7.460 1.00 0.00 C ATOM 827 O GLY A 57 1.105 -2.138 8.566 1.00 0.00 O ATOM 0 H GLY A 57 -0.554 0.188 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.722 -2.099 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.557 -0.907 6.019 1.00 0.00 H new ATOM 831 N GLU A 58 0.920 -3.687 6.944 1.00 0.00 N ATOM 832 CA GLU A 58 1.686 -4.695 7.668 1.00 0.00 C ATOM 833 C GLU A 58 2.723 -5.347 6.759 1.00 0.00 C ATOM 834 O GLU A 58 2.379 -6.085 5.836 1.00 0.00 O ATOM 835 CB GLU A 58 0.751 -5.762 8.241 1.00 0.00 C ATOM 836 CG GLU A 58 1.435 -6.713 9.209 1.00 0.00 C ATOM 837 CD GLU A 58 0.564 -7.899 9.576 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.541 -7.678 10.115 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.986 -9.047 9.324 1.00 0.00 O ATOM 0 H GLU A 58 0.585 -3.988 6.029 1.00 0.00 H new ATOM 0 HA GLU A 58 2.207 -4.200 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.078 -5.271 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.324 -6.338 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.363 -7.072 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.705 -6.171 10.115 1.00 0.00 H new ATOM 846 N ARG A 59 3.995 -5.068 7.026 1.00 0.00 N ATOM 847 CA ARG A 59 5.083 -5.625 6.232 1.00 0.00 C ATOM 848 C ARG A 59 5.880 -6.644 7.041 1.00 0.00 C ATOM 849 O ARG A 59 6.660 -6.282 7.920 1.00 0.00 O ATOM 850 CB ARG A 59 6.009 -4.510 5.744 1.00 0.00 C ATOM 851 CG ARG A 59 6.713 -4.832 4.435 1.00 0.00 C ATOM 852 CD ARG A 59 7.359 -3.595 3.831 1.00 0.00 C ATOM 853 NE ARG A 59 8.633 -3.275 4.470 1.00 0.00 N ATOM 854 CZ ARG A 59 9.309 -2.155 4.241 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.835 -1.252 3.393 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.461 -1.935 4.861 1.00 0.00 N ATOM 0 H ARG A 59 4.297 -4.459 7.787 1.00 0.00 H new ATOM 0 HA ARG A 59 4.648 -6.131 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.429 -3.596 5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.758 -4.310 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.474 -5.594 4.607 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.996 -5.251 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.518 -3.753 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.681 -2.747 3.930 1.00 0.00 H new ATOM 0 HE ARG A 59 9.025 -3.949 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.949 -1.417 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.356 -0.393 3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.829 -2.626 5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.979 -1.074 4.684 1.00 0.00 H new ATOM 870 N GLY A 60 5.677 -7.923 6.737 1.00 0.00 N ATOM 871 CA GLY A 60 6.382 -8.975 7.444 1.00 0.00 C ATOM 872 C GLY A 60 6.206 -8.882 8.947 1.00 0.00 C ATOM 873 O GLY A 60 5.205 -9.347 9.491 1.00 0.00 O ATOM 0 H GLY A 60 5.036 -8.249 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.023 -9.944 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.443 -8.923 7.202 1.00 0.00 H new ATOM 877 N ASN A 61 7.181 -8.281 9.620 1.00 0.00 N ATOM 878 CA ASN A 61 7.130 -8.132 11.070 1.00 0.00 C ATOM 879 C ASN A 61 7.097 -6.658 11.464 1.00 0.00 C ATOM 880 O ASN A 61 7.811 -6.232 12.371 1.00 0.00 O ATOM 881 CB ASN A 61 8.335 -8.817 11.718 1.00 0.00 C ATOM 882 CG ASN A 61 8.621 -10.177 11.111 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.924 -11.153 11.390 1.00 0.00 O ATOM 884 ND2 ASN A 61 9.651 -10.247 10.276 1.00 0.00 N ATOM 0 H ASN A 61 8.016 -7.889 9.185 1.00 0.00 H new ATOM 0 HA ASN A 61 6.216 -8.607 11.427 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.213 -8.181 11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.154 -8.930 12.787 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.892 -11.135 9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.201 -9.412 10.074 1.00 0.00 H new ATOM 891 N GLN A 62 6.263 -5.885 10.775 1.00 0.00 N ATOM 892 CA GLN A 62 6.138 -4.460 11.053 1.00 0.00 C ATOM 893 C GLN A 62 4.690 -4.003 10.913 1.00 0.00 C ATOM 894 O GLN A 62 3.872 -4.679 10.289 1.00 0.00 O ATOM 895 CB GLN A 62 7.033 -3.654 10.109 1.00 0.00 C ATOM 896 CG GLN A 62 8.511 -3.741 10.451 1.00 0.00 C ATOM 897 CD GLN A 62 9.358 -2.792 9.626 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.084 -2.561 8.448 1.00 0.00 O ATOM 899 NE2 GLN A 62 10.394 -2.234 10.243 1.00 0.00 N ATOM 0 H GLN A 62 5.665 -6.222 10.021 1.00 0.00 H new ATOM 0 HA GLN A 62 6.457 -4.287 12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.883 -4.008 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.724 -2.609 10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.649 -3.518 11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.857 -4.762 10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.584 -2.454 11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.999 -1.586 9.739 1.00 0.00 H new ATOM 908 N LYS A 63 4.378 -2.851 11.498 1.00 0.00 N ATOM 909 CA LYS A 63 3.029 -2.302 11.438 1.00 0.00 C ATOM 910 C LYS A 63 3.054 -0.781 11.551 1.00 0.00 C ATOM 911 O LYS A 63 3.849 -0.219 12.304 1.00 0.00 O ATOM 912 CB LYS A 63 2.166 -2.893 12.555 1.00 0.00 C ATOM 913 CG LYS A 63 1.861 -4.370 12.372 1.00 0.00 C ATOM 914 CD LYS A 63 0.713 -4.817 13.262 1.00 0.00 C ATOM 915 CE LYS A 63 -0.614 -4.243 12.790 1.00 0.00 C ATOM 916 NZ LYS A 63 -1.761 -4.787 13.568 1.00 0.00 N ATOM 0 H LYS A 63 5.042 -2.279 12.020 1.00 0.00 H new ATOM 0 HA LYS A 63 2.598 -2.569 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.674 -2.751 13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.228 -2.341 12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.611 -4.564 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.750 -4.957 12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.658 -5.906 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.903 -4.502 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.594 -3.157 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.752 -4.469 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.647 -4.372 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.796 -5.821 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.642 -4.549 14.573 1.00 0.00 H new ATOM 930 N GLY A 64 2.179 -0.121 10.799 1.00 0.00 N ATOM 931 CA GLY A 64 2.117 1.328 10.831 1.00 0.00 C ATOM 932 C GLY A 64 1.048 1.884 9.911 1.00 0.00 C ATOM 933 O GLY A 64 0.207 1.141 9.404 1.00 0.00 O ATOM 0 H GLY A 64 1.512 -0.564 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.921 1.658 11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.086 1.736 10.545 1.00 0.00 H new ATOM 937 N LYS A 65 1.078 3.194 9.695 1.00 0.00 N ATOM 938 CA LYS A 65 0.105 3.850 8.831 1.00 0.00 C ATOM 939 C LYS A 65 0.638 3.975 7.407 1.00 0.00 C ATOM 940 O LYS A 65 1.827 4.216 7.198 1.00 0.00 O ATOM 941 CB LYS A 65 -0.243 5.236 9.379 1.00 0.00 C ATOM 942 CG LYS A 65 -0.760 5.213 10.807 1.00 0.00 C ATOM 943 CD LYS A 65 -1.650 6.410 11.097 1.00 0.00 C ATOM 944 CE LYS A 65 -0.986 7.713 10.681 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.470 8.866 11.489 1.00 0.00 N ATOM 0 H LYS A 65 1.767 3.823 10.107 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.796 3.237 8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.643 5.869 9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.995 5.693 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.319 4.293 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.082 5.208 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.596 6.298 10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.882 6.443 12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.095 7.621 10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.184 7.901 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.993 9.735 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.497 8.970 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.258 8.699 12.493 1.00 0.00 H new ATOM 959 N VAL A 66 -0.249 3.810 6.431 1.00 0.00 N ATOM 960 CA VAL A 66 0.133 3.906 5.027 1.00 0.00 C ATOM 961 C VAL A 66 -0.801 4.842 4.267 1.00 0.00 C ATOM 962 O VAL A 66 -2.025 4.754 4.367 1.00 0.00 O ATOM 963 CB VAL A 66 0.122 2.525 4.346 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.291 1.681 4.832 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.200 1.816 4.601 1.00 0.00 C ATOM 0 H VAL A 66 -1.237 3.609 6.587 1.00 0.00 H new ATOM 0 HA VAL A 66 1.146 4.307 5.001 1.00 0.00 H new ATOM 0 HB VAL A 66 0.230 2.668 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.267 0.709 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.228 2.185 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.217 1.544 5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.190 0.842 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.340 1.683 5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.017 2.415 4.200 1.00 0.00 H new ATOM 975 N PRO A 67 -0.211 5.762 3.488 1.00 0.00 N ATOM 976 CA PRO A 67 -0.971 6.732 2.695 1.00 0.00 C ATOM 977 C PRO A 67 -1.710 6.078 1.532 1.00 0.00 C ATOM 978 O PRO A 67 -1.091 5.505 0.635 1.00 0.00 O ATOM 979 CB PRO A 67 0.107 7.687 2.175 1.00 0.00 C ATOM 980 CG PRO A 67 1.357 6.877 2.164 1.00 0.00 C ATOM 981 CD PRO A 67 1.243 5.924 3.322 1.00 0.00 C ATOM 0 HA PRO A 67 -1.746 7.222 3.284 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.136 8.053 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.207 8.560 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.464 6.337 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.236 7.514 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.732 4.973 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.708 6.327 4.222 1.00 0.00 H new ATOM 989 N ILE A 68 -3.035 6.168 1.553 1.00 0.00 N ATOM 990 CA ILE A 68 -3.857 5.587 0.500 1.00 0.00 C ATOM 991 C ILE A 68 -3.514 6.187 -0.860 1.00 0.00 C ATOM 992 O ILE A 68 -3.633 5.525 -1.891 1.00 0.00 O ATOM 993 CB ILE A 68 -5.358 5.795 0.776 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.834 4.841 1.873 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.164 5.592 -0.497 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.644 5.385 3.272 1.00 0.00 C ATOM 0 H ILE A 68 -3.562 6.638 2.289 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.643 4.518 0.488 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.511 6.818 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.890 4.620 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.295 3.898 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.223 5.742 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.839 6.309 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.009 4.579 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.003 4.656 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.586 5.579 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.206 6.313 3.381 1.00 0.00 H new ATOM 1008 N THR A 69 -3.086 7.445 -0.854 1.00 0.00 N ATOM 1009 CA THR A 69 -2.724 8.135 -2.085 1.00 0.00 C ATOM 1010 C THR A 69 -1.586 7.419 -2.803 1.00 0.00 C ATOM 1011 O THR A 69 -1.362 7.628 -3.996 1.00 0.00 O ATOM 1012 CB THR A 69 -2.307 9.593 -1.811 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.629 9.680 -0.553 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.520 10.511 -1.804 1.00 0.00 C ATOM 0 H THR A 69 -2.982 8.007 -0.009 1.00 0.00 H new ATOM 0 HA THR A 69 -3.610 8.132 -2.721 1.00 0.00 H new ATOM 0 HB THR A 69 -1.635 9.912 -2.608 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.366 10.609 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.200 11.535 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.017 10.465 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.213 10.192 -1.025 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.870 6.574 -2.070 1.00 0.00 N ATOM 1023 CA TYR A 70 0.247 5.828 -2.637 1.00 0.00 C ATOM 1024 C TYR A 70 -0.146 4.378 -2.905 1.00 0.00 C ATOM 1025 O TYR A 70 0.579 3.639 -3.572 1.00 0.00 O ATOM 1026 CB TYR A 70 1.451 5.875 -1.694 1.00 0.00 C ATOM 1027 CG TYR A 70 2.163 7.209 -1.687 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.497 8.373 -1.323 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.502 7.305 -2.045 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.144 9.593 -1.317 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.158 8.521 -2.040 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.474 9.662 -1.676 1.00 0.00 C ATOM 1033 OH TYR A 70 4.123 10.876 -1.669 1.00 0.00 O ATOM 0 H TYR A 70 -1.043 6.388 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 70 0.517 6.294 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.118 5.645 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.158 5.097 -1.982 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.456 8.323 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.040 6.413 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.611 10.488 -1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.200 8.578 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 70 5.055 10.751 -1.946 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.299 3.979 -2.381 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.792 2.618 -2.564 1.00 0.00 C ATOM 1045 C LEU A 71 -2.972 2.591 -3.529 1.00 0.00 C ATOM 1046 O LEU A 71 -3.800 3.501 -3.538 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.205 2.019 -1.218 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.301 2.350 -0.030 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.099 2.351 1.264 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.148 1.360 0.054 1.00 0.00 C ATOM 0 H LEU A 71 -1.910 4.578 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.986 2.020 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.214 2.359 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.250 0.935 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.888 3.348 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.439 2.589 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.890 3.098 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.541 1.367 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.485 1.610 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.543 0.352 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.440 1.408 -0.862 1.00 0.00 H new ATOM 1062 N GLU A 72 -3.043 1.539 -4.340 1.00 0.00 N ATOM 1063 CA GLU A 72 -4.124 1.394 -5.308 1.00 0.00 C ATOM 1064 C GLU A 72 -4.891 0.095 -5.077 1.00 0.00 C ATOM 1065 O GLU A 72 -4.600 -0.930 -5.696 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.568 1.424 -6.734 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.555 0.938 -7.782 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.262 1.495 -9.162 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -4.743 2.607 -9.466 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -3.553 0.820 -9.936 1.00 0.00 O ATOM 0 H GLU A 72 -2.366 0.776 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.811 2.230 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.266 2.443 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.671 0.807 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.531 -0.151 -7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.564 1.224 -7.486 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.870 0.145 -4.181 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.679 -1.027 -3.866 1.00 0.00 C ATOM 1079 C LEU A 73 -7.088 -1.765 -5.137 1.00 0.00 C ATOM 1080 O LEU A 73 -7.934 -1.292 -5.898 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.925 -0.615 -3.080 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.686 0.287 -1.868 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.921 0.329 -0.982 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.477 -0.192 -1.078 1.00 0.00 C ATOM 0 H LEU A 73 -6.123 0.984 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.077 -1.699 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.606 -0.103 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.432 -1.519 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.486 1.297 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.732 0.975 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.764 0.719 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.153 -0.677 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.321 0.461 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.649 -1.211 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.593 -0.169 -1.716 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.483 -2.926 -5.361 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.785 -3.731 -6.540 1.00 0.00 C ATOM 1098 C LEU A 74 -8.158 -4.384 -6.416 1.00 0.00 C ATOM 1099 O LEU A 74 -8.304 -5.432 -5.789 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.713 -4.804 -6.737 1.00 0.00 C ATOM 1101 CG LEU A 74 -4.265 -4.348 -6.557 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -3.368 -5.533 -6.235 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.774 -3.628 -7.805 1.00 0.00 C ATOM 0 H LEU A 74 -5.781 -3.331 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.794 -3.071 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.907 -5.616 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.821 -5.217 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.225 -3.651 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.341 -5.189 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.707 -6.006 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.412 -6.255 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.742 -3.310 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.829 -4.302 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.399 -2.755 -7.991 1.00 0.00 H new ATOM 1115 N ASN A 75 -9.162 -3.757 -7.021 1.00 0.00 N ATOM 1116 CA ASN A 75 -10.524 -4.278 -6.980 1.00 0.00 C ATOM 1117 C ASN A 75 -10.771 -5.247 -8.133 1.00 0.00 C ATOM 1118 O ASN A 75 -11.258 -4.854 -9.193 1.00 0.00 O ATOM 1119 CB ASN A 75 -11.533 -3.130 -7.039 1.00 0.00 C ATOM 1120 CG ASN A 75 -11.132 -1.963 -6.158 1.00 0.00 C ATOM 1121 OD1 ASN A 75 -10.397 -1.072 -6.585 1.00 0.00 O ATOM 1122 ND2 ASN A 75 -11.615 -1.962 -4.921 1.00 0.00 N ATOM 0 H ASN A 75 -9.058 -2.888 -7.545 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.652 -4.818 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.630 -2.788 -8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.513 -3.495 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.380 -1.202 -4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.221 -2.721 -4.609 1.00 0.00 H new ATOM 1129 N SER A 76 -10.431 -6.514 -7.918 1.00 0.00 N ATOM 1130 CA SER A 76 -10.612 -7.538 -8.940 1.00 0.00 C ATOM 1131 C SER A 76 -12.023 -7.483 -9.519 1.00 0.00 C ATOM 1132 O SER A 76 -12.209 -7.531 -10.734 1.00 0.00 O ATOM 1133 CB SER A 76 -10.342 -8.926 -8.355 1.00 0.00 C ATOM 1134 OG SER A 76 -11.236 -9.214 -7.293 1.00 0.00 O ATOM 0 H SER A 76 -10.029 -6.856 -7.045 1.00 0.00 H new ATOM 0 HA SER A 76 -9.900 -7.346 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.445 -9.680 -9.136 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.315 -8.979 -7.994 1.00 0.00 H new ATOM 0 HG SER A 76 -11.044 -10.107 -6.937 1.00 0.00 H new ATOM 1140 N GLY A 77 -13.014 -7.384 -8.638 1.00 0.00 N ATOM 1141 CA GLY A 77 -14.395 -7.324 -9.080 1.00 0.00 C ATOM 1142 C GLY A 77 -15.365 -7.798 -8.015 1.00 0.00 C ATOM 1143 O GLY A 77 -15.071 -8.706 -7.237 1.00 0.00 O ATOM 0 H GLY A 77 -12.885 -7.344 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.640 -6.299 -9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.514 -7.936 -9.974 1.00 0.00 H new ATOM 1147 N PRO A 78 -16.551 -7.173 -7.970 1.00 0.00 N ATOM 1148 CA PRO A 78 -17.591 -7.519 -6.996 1.00 0.00 C ATOM 1149 C PRO A 78 -18.210 -8.885 -7.269 1.00 0.00 C ATOM 1150 O PRO A 78 -18.192 -9.370 -8.400 1.00 0.00 O ATOM 1151 CB PRO A 78 -18.633 -6.412 -7.182 1.00 0.00 C ATOM 1152 CG PRO A 78 -18.439 -5.941 -8.582 1.00 0.00 C ATOM 1153 CD PRO A 78 -16.969 -6.082 -8.866 1.00 0.00 C ATOM 0 HA PRO A 78 -17.195 -7.585 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -19.644 -6.790 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -18.483 -5.603 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -19.030 -6.535 -9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.761 -4.905 -8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.784 -6.328 -9.912 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.429 -5.159 -8.655 1.00 0.00 H new ATOM 1161 N SER A 79 -18.758 -9.500 -6.226 1.00 0.00 N ATOM 1162 CA SER A 79 -19.380 -10.813 -6.353 1.00 0.00 C ATOM 1163 C SER A 79 -20.678 -10.724 -7.151 1.00 0.00 C ATOM 1164 O SER A 79 -21.541 -9.896 -6.863 1.00 0.00 O ATOM 1165 CB SER A 79 -19.659 -11.405 -4.970 1.00 0.00 C ATOM 1166 OG SER A 79 -19.685 -12.821 -5.017 1.00 0.00 O ATOM 0 H SER A 79 -18.784 -9.110 -5.284 1.00 0.00 H new ATOM 0 HA SER A 79 -18.689 -11.465 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.893 -11.075 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.613 -11.033 -4.597 1.00 0.00 H new ATOM 0 HG SER A 79 -19.863 -13.175 -4.121 1.00 0.00 H new ATOM 1172 N SER A 80 -20.806 -11.584 -8.157 1.00 0.00 N ATOM 1173 CA SER A 80 -21.996 -11.601 -9.001 1.00 0.00 C ATOM 1174 C SER A 80 -22.107 -10.312 -9.809 1.00 0.00 C ATOM 1175 O SER A 80 -23.191 -9.748 -9.954 1.00 0.00 O ATOM 1176 CB SER A 80 -23.250 -11.790 -8.146 1.00 0.00 C ATOM 1177 OG SER A 80 -24.370 -12.121 -8.949 1.00 0.00 O ATOM 0 H SER A 80 -20.101 -12.277 -8.407 1.00 0.00 H new ATOM 0 HA SER A 80 -21.908 -12.437 -9.694 1.00 0.00 H new ATOM 0 HB2 SER A 80 -23.079 -12.578 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 80 -23.455 -10.876 -7.589 1.00 0.00 H new ATOM 0 HG SER A 80 -24.492 -11.436 -9.639 1.00 0.00 H new ATOM 1183 N GLY A 81 -20.976 -9.851 -10.334 1.00 0.00 N ATOM 1184 CA GLY A 81 -20.967 -8.631 -11.122 1.00 0.00 C ATOM 1185 C GLY A 81 -19.658 -8.428 -11.860 1.00 0.00 C ATOM 1186 O GLY A 81 -19.652 -8.092 -13.044 1.00 0.00 O ATOM 0 H GLY A 81 -20.066 -10.300 -10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -21.785 -8.660 -11.841 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -21.148 -7.778 -10.468 1.00 0.00 H new TER 1190 GLY A 81