USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 731 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 62 TYR OH : rot 121:sc= 0.211 USER MOD Set 1.2: A 91 HIS : no HE2:sc= -0.0358 K(o=0.18,f=-1.1) USER MOD Set 2.1: A 34 SER OG : rot 152:sc= 0.0572 USER MOD Set 2.2: A 36 GLN :FLIP amide:sc= 0.0503 F(o=-0.44,f=0.11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.22 (180deg=0.343) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.09) USER MOD Single : A 5 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.3) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00939 X(o=-0.0094,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0096 X(o=-0.0096,f=0) USER MOD Single : A 9 SER OG : rot 150:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 39:sc= 0.276 USER MOD Single : A 16 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.049) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-4.1!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 160:sc= -0.0764 (180deg=-0.581) USER MOD Single : A 38 SER OG : rot 180:sc= -0.235 USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.13) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -131:sc= -0.0763 (180deg=-0.49) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc=-0.00131 (180deg=-0.0754) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.15) USER MOD Single : A 56 SER OG : rot 180:sc=-0.00066 USER MOD Single : A 57 MET CE :methyl -175:sc= -2.05 (180deg=-2.13) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -1:sc= 1.07 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 1.01 (180deg=0.766) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 45:sc= 0.827 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.793 5.152 -23.858 1.00 22.12 N ATOM 2 CA MET A 1 -16.148 5.601 -22.608 1.00 74.52 C ATOM 3 C MET A 1 -16.025 4.429 -21.649 1.00 43.15 C ATOM 4 O MET A 1 -17.021 3.795 -21.303 1.00 4.35 O ATOM 5 CB MET A 1 -16.955 6.727 -21.945 1.00 20.15 C ATOM 6 CG MET A 1 -17.096 7.982 -22.795 1.00 34.34 C ATOM 7 SD MET A 1 -18.167 7.742 -24.226 1.00 61.23 S ATOM 8 CE MET A 1 -18.047 9.345 -25.011 1.00 32.01 C ATOM 0 H1 MET A 1 -17.311 5.946 -24.286 1.00 22.12 H new ATOM 0 H2 MET A 1 -16.067 4.815 -24.522 1.00 22.12 H new ATOM 0 H3 MET A 1 -17.456 4.379 -23.648 1.00 22.12 H new ATOM 0 HA MET A 1 -15.158 5.986 -22.851 1.00 74.52 H new ATOM 0 HB2 MET A 1 -17.950 6.352 -21.704 1.00 20.15 H new ATOM 0 HB3 MET A 1 -16.478 6.993 -21.002 1.00 20.15 H new ATOM 0 HG2 MET A 1 -17.495 8.789 -22.180 1.00 34.34 H new ATOM 0 HG3 MET A 1 -16.110 8.298 -23.134 1.00 34.34 H new ATOM 0 HE1 MET A 1 -18.657 9.354 -25.914 1.00 32.01 H new ATOM 0 HE2 MET A 1 -18.402 10.114 -24.325 1.00 32.01 H new ATOM 0 HE3 MET A 1 -17.008 9.545 -25.273 1.00 32.01 H new ATOM 20 N GLY A 2 -14.800 4.141 -21.235 1.00 41.22 N ATOM 21 CA GLY A 2 -14.562 3.032 -20.341 1.00 75.21 C ATOM 22 C GLY A 2 -13.307 2.270 -20.706 1.00 21.51 C ATOM 23 O GLY A 2 -12.976 2.133 -21.885 1.00 14.14 O ATOM 0 H GLY A 2 -13.964 4.660 -21.505 1.00 41.22 H new ATOM 0 HA2 GLY A 2 -14.478 3.402 -19.319 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -15.417 2.356 -20.366 1.00 75.21 H new ATOM 27 N HIS A 3 -12.602 1.786 -19.701 1.00 53.04 N ATOM 28 CA HIS A 3 -11.393 1.011 -19.917 1.00 33.45 C ATOM 29 C HIS A 3 -11.558 -0.378 -19.332 1.00 12.45 C ATOM 30 O HIS A 3 -11.992 -0.533 -18.191 1.00 32.01 O ATOM 31 CB HIS A 3 -10.182 1.708 -19.292 1.00 13.30 C ATOM 32 CG HIS A 3 -9.838 3.008 -19.949 1.00 55.53 C ATOM 33 ND1 HIS A 3 -10.006 4.232 -19.340 1.00 21.41 N ATOM 34 CD2 HIS A 3 -9.331 3.266 -21.175 1.00 43.44 C ATOM 35 CE1 HIS A 3 -9.616 5.187 -20.166 1.00 74.43 C ATOM 36 NE2 HIS A 3 -9.203 4.626 -21.285 1.00 55.12 N ATOM 0 H HIS A 3 -12.848 1.917 -18.720 1.00 53.04 H new ATOM 0 HA HIS A 3 -11.222 0.928 -20.990 1.00 33.45 H new ATOM 0 HB2 HIS A 3 -10.380 1.885 -18.235 1.00 13.30 H new ATOM 0 HB3 HIS A 3 -9.321 1.042 -19.348 1.00 13.30 H new ATOM 0 HD2 HIS A 3 -9.074 2.536 -21.928 1.00 43.44 H new ATOM 0 HE1 HIS A 3 -9.633 6.247 -19.959 1.00 74.43 H new ATOM 0 HE2 HIS A 3 -8.846 5.124 -22.101 1.00 55.12 H new ATOM 45 N HIS A 4 -11.216 -1.386 -20.112 1.00 53.41 N ATOM 46 CA HIS A 4 -11.361 -2.759 -19.661 1.00 63.41 C ATOM 47 C HIS A 4 -9.993 -3.375 -19.382 1.00 43.01 C ATOM 48 O HIS A 4 -9.298 -3.846 -20.283 1.00 74.43 O ATOM 49 CB HIS A 4 -12.186 -3.605 -20.655 1.00 52.24 C ATOM 50 CG HIS A 4 -11.660 -3.668 -22.065 1.00 71.32 C ATOM 51 ND1 HIS A 4 -11.304 -4.848 -22.678 1.00 70.13 N ATOM 52 CD2 HIS A 4 -11.472 -2.698 -22.994 1.00 1.24 C ATOM 53 CE1 HIS A 4 -10.921 -4.604 -23.915 1.00 12.34 C ATOM 54 NE2 HIS A 4 -11.013 -3.309 -24.136 1.00 25.23 N ATOM 0 H HIS A 4 -10.839 -1.283 -21.054 1.00 53.41 H new ATOM 0 HA HIS A 4 -11.921 -2.751 -18.726 1.00 63.41 H new ATOM 0 HB2 HIS A 4 -12.253 -4.622 -20.268 1.00 52.24 H new ATOM 0 HB3 HIS A 4 -13.201 -3.208 -20.684 1.00 52.24 H new ATOM 0 HD2 HIS A 4 -11.650 -1.641 -22.861 1.00 1.24 H new ATOM 0 HE1 HIS A 4 -10.587 -5.343 -24.629 1.00 12.34 H new ATOM 0 HE2 HIS A 4 -10.782 -2.837 -25.010 1.00 25.23 H new ATOM 63 N HIS A 5 -9.603 -3.313 -18.114 1.00 53.42 N ATOM 64 CA HIS A 5 -8.321 -3.829 -17.654 1.00 1.15 C ATOM 65 C HIS A 5 -8.555 -4.842 -16.534 1.00 4.32 C ATOM 66 O HIS A 5 -7.619 -5.357 -15.920 1.00 24.02 O ATOM 67 CB HIS A 5 -7.457 -2.662 -17.150 1.00 30.34 C ATOM 68 CG HIS A 5 -6.085 -3.051 -16.691 1.00 53.31 C ATOM 69 ND1 HIS A 5 -5.690 -3.003 -15.371 1.00 54.33 N ATOM 70 CD2 HIS A 5 -5.011 -3.483 -17.384 1.00 45.24 C ATOM 71 CE1 HIS A 5 -4.430 -3.384 -15.277 1.00 54.54 C ATOM 72 NE2 HIS A 5 -3.992 -3.682 -16.487 1.00 23.14 N ATOM 0 H HIS A 5 -10.171 -2.901 -17.373 1.00 53.42 H new ATOM 0 HA HIS A 5 -7.802 -4.325 -18.474 1.00 1.15 H new ATOM 0 HB2 HIS A 5 -7.363 -1.926 -17.949 1.00 30.34 H new ATOM 0 HB3 HIS A 5 -7.976 -2.173 -16.326 1.00 30.34 H new ATOM 0 HD2 HIS A 5 -4.962 -3.643 -18.451 1.00 45.24 H new ATOM 0 HE1 HIS A 5 -3.854 -3.442 -14.365 1.00 54.54 H new ATOM 0 HE2 HIS A 5 -3.052 -4.006 -16.716 1.00 23.14 H new ATOM 81 N HIS A 6 -9.824 -5.136 -16.292 1.00 45.40 N ATOM 82 CA HIS A 6 -10.224 -5.986 -15.183 1.00 74.22 C ATOM 83 C HIS A 6 -9.975 -7.461 -15.508 1.00 33.31 C ATOM 84 O HIS A 6 -10.898 -8.202 -15.847 1.00 44.15 O ATOM 85 CB HIS A 6 -11.702 -5.742 -14.853 1.00 21.14 C ATOM 86 CG HIS A 6 -12.145 -6.286 -13.529 1.00 4.44 C ATOM 87 ND1 HIS A 6 -11.870 -5.665 -12.333 1.00 71.13 N ATOM 88 CD2 HIS A 6 -12.882 -7.379 -13.220 1.00 0.13 C ATOM 89 CE1 HIS A 6 -12.419 -6.350 -11.348 1.00 11.44 C ATOM 90 NE2 HIS A 6 -13.041 -7.396 -11.858 1.00 51.22 N ATOM 0 H HIS A 6 -10.601 -4.793 -16.857 1.00 45.40 H new ATOM 0 HA HIS A 6 -9.621 -5.734 -14.311 1.00 74.22 H new ATOM 0 HB2 HIS A 6 -11.892 -4.669 -14.872 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -12.314 -6.188 -15.637 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -13.273 -8.104 -13.918 1.00 0.13 H new ATOM 0 HE1 HIS A 6 -12.368 -6.097 -10.299 1.00 11.44 H new ATOM 0 HE2 HIS A 6 -13.554 -8.100 -11.328 1.00 51.22 H new ATOM 99 N HIS A 7 -8.713 -7.862 -15.433 1.00 34.15 N ATOM 100 CA HIS A 7 -8.331 -9.254 -15.653 1.00 65.00 C ATOM 101 C HIS A 7 -8.169 -9.955 -14.312 1.00 31.54 C ATOM 102 O HIS A 7 -8.052 -9.301 -13.277 1.00 32.25 O ATOM 103 CB HIS A 7 -7.018 -9.351 -16.445 1.00 75.41 C ATOM 104 CG HIS A 7 -7.075 -8.757 -17.819 1.00 10.02 C ATOM 105 ND1 HIS A 7 -7.373 -9.487 -18.951 1.00 55.04 N ATOM 106 CD2 HIS A 7 -6.853 -7.493 -18.243 1.00 53.41 C ATOM 107 CE1 HIS A 7 -7.331 -8.697 -20.007 1.00 63.14 C ATOM 108 NE2 HIS A 7 -7.016 -7.482 -19.602 1.00 43.31 N ATOM 0 H HIS A 7 -7.932 -7.241 -15.221 1.00 34.15 H new ATOM 0 HA HIS A 7 -9.117 -9.737 -16.233 1.00 65.00 H new ATOM 0 HB2 HIS A 7 -6.230 -8.853 -15.880 1.00 75.41 H new ATOM 0 HB3 HIS A 7 -6.735 -10.400 -16.528 1.00 75.41 H new ATOM 0 HD2 HIS A 7 -6.594 -6.647 -17.623 1.00 53.41 H new ATOM 0 HE1 HIS A 7 -7.522 -8.994 -21.028 1.00 63.14 H new ATOM 0 HE2 HIS A 7 -6.911 -6.666 -20.204 1.00 43.31 H new ATOM 117 N HIS A 8 -8.162 -11.278 -14.325 1.00 2.53 N ATOM 118 CA HIS A 8 -8.000 -12.045 -13.101 1.00 24.33 C ATOM 119 C HIS A 8 -6.661 -12.762 -13.088 1.00 4.02 C ATOM 120 O HIS A 8 -6.296 -13.434 -14.056 1.00 64.31 O ATOM 121 CB HIS A 8 -9.140 -13.052 -12.929 1.00 33.11 C ATOM 122 CG HIS A 8 -10.455 -12.411 -12.620 1.00 25.30 C ATOM 123 ND1 HIS A 8 -11.617 -12.708 -13.290 1.00 72.24 N ATOM 124 CD2 HIS A 8 -10.785 -11.490 -11.686 1.00 43.24 C ATOM 125 CE1 HIS A 8 -12.608 -11.996 -12.782 1.00 50.53 C ATOM 126 NE2 HIS A 8 -12.129 -11.248 -11.801 1.00 1.11 N ATOM 0 H HIS A 8 -8.266 -11.842 -15.168 1.00 2.53 H new ATOM 0 HA HIS A 8 -8.029 -11.347 -12.265 1.00 24.33 H new ATOM 0 HB2 HIS A 8 -9.236 -13.640 -13.841 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -8.885 -13.746 -12.128 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -10.112 -11.029 -10.978 1.00 43.24 H new ATOM 0 HE1 HIS A 8 -13.636 -12.021 -13.112 1.00 50.53 H new ATOM 0 HE2 HIS A 8 -12.669 -10.600 -11.227 1.00 1.11 H new ATOM 135 N SER A 9 -5.933 -12.602 -11.994 1.00 33.30 N ATOM 136 CA SER A 9 -4.626 -13.215 -11.833 1.00 71.42 C ATOM 137 C SER A 9 -4.744 -14.732 -11.705 1.00 35.13 C ATOM 138 O SER A 9 -5.755 -15.249 -11.224 1.00 23.52 O ATOM 139 CB SER A 9 -3.946 -12.638 -10.593 1.00 35.33 C ATOM 140 OG SER A 9 -3.948 -11.221 -10.634 1.00 11.02 O ATOM 0 H SER A 9 -6.232 -12.044 -11.194 1.00 33.30 H new ATOM 0 HA SER A 9 -4.027 -12.997 -12.717 1.00 71.42 H new ATOM 0 HB2 SER A 9 -4.462 -12.982 -9.696 1.00 35.33 H new ATOM 0 HB3 SER A 9 -2.921 -13.004 -10.531 1.00 35.33 H new ATOM 0 HG SER A 9 -3.975 -10.867 -9.720 1.00 11.02 H new ATOM 146 N HIS A 10 -3.717 -15.439 -12.150 1.00 23.12 N ATOM 147 CA HIS A 10 -3.694 -16.894 -12.067 1.00 0.24 C ATOM 148 C HIS A 10 -2.272 -17.395 -11.871 1.00 5.11 C ATOM 149 O HIS A 10 -1.966 -18.561 -12.126 1.00 1.30 O ATOM 150 CB HIS A 10 -4.304 -17.513 -13.325 1.00 64.40 C ATOM 151 CG HIS A 10 -5.585 -18.236 -13.058 1.00 31.43 C ATOM 152 ND1 HIS A 10 -5.653 -19.599 -12.880 1.00 33.05 N ATOM 153 CD2 HIS A 10 -6.849 -17.779 -12.932 1.00 14.51 C ATOM 154 CE1 HIS A 10 -6.906 -19.948 -12.654 1.00 55.01 C ATOM 155 NE2 HIS A 10 -7.653 -18.862 -12.681 1.00 15.41 N ATOM 0 H HIS A 10 -2.885 -15.029 -12.574 1.00 23.12 H new ATOM 0 HA HIS A 10 -4.291 -17.196 -11.206 1.00 0.24 H new ATOM 0 HB2 HIS A 10 -4.483 -16.728 -14.060 1.00 64.40 H new ATOM 0 HB3 HIS A 10 -3.587 -18.206 -13.767 1.00 64.40 H new ATOM 0 HD2 HIS A 10 -7.168 -16.751 -13.014 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -7.259 -20.953 -12.477 1.00 55.01 H new ATOM 0 HE2 HIS A 10 -8.663 -18.832 -12.539 1.00 15.41 H new ATOM 164 N GLY A 11 -1.407 -16.502 -11.415 1.00 45.01 N ATOM 165 CA GLY A 11 -0.029 -16.862 -11.177 1.00 43.23 C ATOM 166 C GLY A 11 0.254 -17.081 -9.708 1.00 4.23 C ATOM 167 O GLY A 11 -0.482 -17.798 -9.026 1.00 12.15 O ATOM 0 H GLY A 11 -1.638 -15.531 -11.205 1.00 45.01 H new ATOM 0 HA2 GLY A 11 0.209 -17.770 -11.731 1.00 43.23 H new ATOM 0 HA3 GLY A 11 0.622 -16.075 -11.558 1.00 43.23 H new ATOM 171 N ASP A 12 1.315 -16.458 -9.218 1.00 61.32 N ATOM 172 CA ASP A 12 1.698 -16.579 -7.819 1.00 3.44 C ATOM 173 C ASP A 12 2.414 -15.316 -7.349 1.00 10.11 C ATOM 174 O ASP A 12 3.611 -15.327 -7.054 1.00 73.51 O ATOM 175 CB ASP A 12 2.580 -17.816 -7.613 1.00 23.15 C ATOM 176 CG ASP A 12 2.987 -18.014 -6.168 1.00 71.03 C ATOM 177 OD1 ASP A 12 2.103 -18.239 -5.320 1.00 74.44 O ATOM 178 OD2 ASP A 12 4.200 -17.946 -5.878 1.00 2.10 O ATOM 0 H ASP A 12 1.929 -15.861 -9.772 1.00 61.32 H new ATOM 0 HA ASP A 12 0.795 -16.699 -7.220 1.00 3.44 H new ATOM 0 HB2 ASP A 12 2.044 -18.700 -7.959 1.00 23.15 H new ATOM 0 HB3 ASP A 12 3.475 -17.725 -8.228 1.00 23.15 H new ATOM 183 N ASP A 13 1.682 -14.213 -7.334 1.00 14.12 N ATOM 184 CA ASP A 13 2.194 -12.944 -6.827 1.00 15.41 C ATOM 185 C ASP A 13 1.072 -11.923 -6.772 1.00 10.13 C ATOM 186 O ASP A 13 0.339 -11.755 -7.749 1.00 22.52 O ATOM 187 CB ASP A 13 3.351 -12.406 -7.695 1.00 43.13 C ATOM 188 CG ASP A 13 2.925 -11.991 -9.094 1.00 50.02 C ATOM 189 OD1 ASP A 13 2.941 -12.848 -10.006 1.00 23.44 O ATOM 190 OD2 ASP A 13 2.589 -10.806 -9.290 1.00 53.44 O ATOM 0 H ASP A 13 0.720 -14.169 -7.671 1.00 14.12 H new ATOM 0 HA ASP A 13 2.584 -13.118 -5.824 1.00 15.41 H new ATOM 0 HB2 ASP A 13 3.802 -11.550 -7.193 1.00 43.13 H new ATOM 0 HB3 ASP A 13 4.122 -13.173 -7.772 1.00 43.13 H new ATOM 195 N SER A 14 0.906 -11.291 -5.609 1.00 4.42 N ATOM 196 CA SER A 14 -0.044 -10.192 -5.449 1.00 10.31 C ATOM 197 C SER A 14 -0.160 -9.744 -3.995 1.00 22.54 C ATOM 198 O SER A 14 -0.600 -10.504 -3.131 1.00 73.02 O ATOM 199 CB SER A 14 -1.441 -10.579 -5.966 1.00 55.45 C ATOM 200 OG SER A 14 -1.900 -11.783 -5.378 1.00 33.02 O ATOM 0 H SER A 14 1.421 -11.524 -4.760 1.00 4.42 H new ATOM 0 HA SER A 14 0.345 -9.364 -6.041 1.00 10.31 H new ATOM 0 HB2 SER A 14 -2.145 -9.776 -5.749 1.00 55.45 H new ATOM 0 HB3 SER A 14 -1.410 -10.691 -7.050 1.00 55.45 H new ATOM 0 HG SER A 14 -1.642 -11.805 -4.433 1.00 33.02 H new ATOM 206 N VAL A 15 0.253 -8.518 -3.721 1.00 21.01 N ATOM 207 CA VAL A 15 -0.118 -7.867 -2.477 1.00 63.02 C ATOM 208 C VAL A 15 -1.099 -6.737 -2.784 1.00 5.31 C ATOM 209 O VAL A 15 -0.724 -5.669 -3.279 1.00 32.33 O ATOM 210 CB VAL A 15 1.099 -7.351 -1.663 1.00 60.24 C ATOM 211 CG1 VAL A 15 1.926 -8.519 -1.148 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.975 -6.416 -2.474 1.00 33.24 C ATOM 0 H VAL A 15 0.841 -7.957 -4.338 1.00 21.01 H new ATOM 0 HA VAL A 15 -0.593 -8.613 -1.840 1.00 63.02 H new ATOM 0 HB VAL A 15 0.704 -6.785 -0.820 1.00 60.24 H new ATOM 0 HG11 VAL A 15 2.775 -8.141 -0.579 1.00 21.35 H new ATOM 0 HG12 VAL A 15 1.309 -9.146 -0.504 1.00 21.35 H new ATOM 0 HG13 VAL A 15 2.287 -9.109 -1.991 1.00 21.35 H new ATOM 0 HG21 VAL A 15 2.813 -6.081 -1.863 1.00 33.24 H new ATOM 0 HG22 VAL A 15 2.353 -6.941 -3.351 1.00 33.24 H new ATOM 0 HG23 VAL A 15 1.390 -5.553 -2.791 1.00 33.24 H new ATOM 222 N HIS A 16 -2.377 -7.017 -2.566 1.00 64.34 N ATOM 223 CA HIS A 16 -3.433 -6.073 -2.886 1.00 21.13 C ATOM 224 C HIS A 16 -3.536 -4.972 -1.847 1.00 72.32 C ATOM 225 O HIS A 16 -4.359 -5.036 -0.934 1.00 11.31 O ATOM 226 CB HIS A 16 -4.784 -6.783 -3.030 1.00 43.40 C ATOM 227 CG HIS A 16 -5.139 -7.096 -4.448 1.00 53.34 C ATOM 228 ND1 HIS A 16 -5.555 -8.340 -4.875 1.00 11.31 N ATOM 229 CD2 HIS A 16 -5.163 -6.300 -5.540 1.00 71.35 C ATOM 230 CE1 HIS A 16 -5.815 -8.294 -6.168 1.00 61.32 C ATOM 231 NE2 HIS A 16 -5.583 -7.068 -6.593 1.00 23.43 N ATOM 0 H HIS A 16 -2.706 -7.896 -2.167 1.00 64.34 H new ATOM 0 HA HIS A 16 -3.172 -5.617 -3.841 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -4.763 -7.709 -2.455 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -5.564 -6.156 -2.597 1.00 43.40 H new ATOM 0 HD2 HIS A 16 -4.900 -5.253 -5.575 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -6.159 -9.119 -6.774 1.00 61.32 H new ATOM 0 HE2 HIS A 16 -5.698 -6.743 -7.553 1.00 23.43 H new ATOM 240 N LEU A 17 -2.693 -3.969 -1.987 1.00 3.22 N ATOM 241 CA LEU A 17 -2.726 -2.820 -1.105 1.00 34.42 C ATOM 242 C LEU A 17 -3.730 -1.803 -1.623 1.00 33.24 C ATOM 243 O LEU A 17 -3.497 -1.141 -2.634 1.00 31.41 O ATOM 244 CB LEU A 17 -1.335 -2.196 -1.002 1.00 64.34 C ATOM 245 CG LEU A 17 -0.253 -3.123 -0.443 1.00 62.52 C ATOM 246 CD1 LEU A 17 1.100 -2.432 -0.457 1.00 22.21 C ATOM 247 CD2 LEU A 17 -0.607 -3.572 0.968 1.00 64.34 C ATOM 0 H LEU A 17 -1.973 -3.927 -2.708 1.00 3.22 H new ATOM 0 HA LEU A 17 -3.034 -3.141 -0.110 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -1.029 -1.860 -1.993 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -1.396 -1.310 -0.370 1.00 64.34 H new ATOM 0 HG LEU A 17 -0.197 -4.006 -1.080 1.00 62.52 H new ATOM 0 HD11 LEU A 17 1.857 -3.106 -0.056 1.00 22.21 H new ATOM 0 HD12 LEU A 17 1.360 -2.162 -1.480 1.00 22.21 H new ATOM 0 HD13 LEU A 17 1.055 -1.532 0.156 1.00 22.21 H new ATOM 0 HD21 LEU A 17 0.175 -4.230 1.347 1.00 64.34 H new ATOM 0 HD22 LEU A 17 -0.693 -2.700 1.616 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -1.556 -4.108 0.952 1.00 64.34 H new ATOM 259 N HIS A 18 -4.869 -1.713 -0.949 1.00 54.23 N ATOM 260 CA HIS A 18 -5.920 -0.784 -1.350 1.00 12.43 C ATOM 261 C HIS A 18 -5.569 0.627 -0.909 1.00 74.21 C ATOM 262 O HIS A 18 -5.532 0.915 0.284 1.00 75.44 O ATOM 263 CB HIS A 18 -7.269 -1.188 -0.749 1.00 1.35 C ATOM 264 CG HIS A 18 -7.821 -2.470 -1.291 1.00 65.31 C ATOM 265 ND1 HIS A 18 -8.810 -2.515 -2.248 1.00 34.12 N ATOM 266 CD2 HIS A 18 -7.530 -3.759 -0.992 1.00 2.05 C ATOM 267 CE1 HIS A 18 -9.108 -3.771 -2.512 1.00 52.22 C ATOM 268 NE2 HIS A 18 -8.345 -4.547 -1.766 1.00 62.13 N ATOM 0 H HIS A 18 -5.090 -2.270 -0.124 1.00 54.23 H new ATOM 0 HA HIS A 18 -6.000 -0.816 -2.437 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -7.160 -1.280 0.332 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -7.989 -0.390 -0.930 1.00 1.35 H new ATOM 0 HD2 HIS A 18 -6.795 -4.102 -0.279 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -9.851 -4.108 -3.219 1.00 52.22 H new ATOM 0 HE2 HIS A 18 -8.359 -5.567 -1.765 1.00 62.13 H new ATOM 277 N ILE A 19 -5.310 1.497 -1.870 1.00 35.15 N ATOM 278 CA ILE A 19 -4.942 2.872 -1.571 1.00 53.04 C ATOM 279 C ILE A 19 -6.174 3.674 -1.164 1.00 11.31 C ATOM 280 O ILE A 19 -7.151 3.745 -1.902 1.00 70.44 O ATOM 281 CB ILE A 19 -4.260 3.542 -2.782 1.00 30.50 C ATOM 282 CG1 ILE A 19 -3.063 2.705 -3.243 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.818 4.954 -2.426 1.00 43.14 C ATOM 284 CD1 ILE A 19 -2.372 3.251 -4.473 1.00 43.34 C ATOM 0 H ILE A 19 -5.348 1.276 -2.865 1.00 35.15 H new ATOM 0 HA ILE A 19 -4.234 2.855 -0.743 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.978 3.602 -3.600 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -2.340 2.643 -2.429 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -3.400 1.689 -3.448 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -3.339 5.414 -3.290 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -4.687 5.545 -2.136 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -3.112 4.916 -1.597 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -1.535 2.604 -4.737 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -3.079 3.287 -5.302 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -2.003 4.256 -4.267 1.00 43.34 H new ATOM 296 N THR A 20 -6.131 4.248 0.026 1.00 23.35 N ATOM 297 CA THR A 20 -7.235 5.043 0.537 1.00 41.50 C ATOM 298 C THR A 20 -6.720 6.378 1.075 1.00 54.53 C ATOM 299 O THR A 20 -5.771 6.418 1.857 1.00 22.33 O ATOM 300 CB THR A 20 -7.978 4.279 1.649 1.00 41.20 C ATOM 301 OG1 THR A 20 -8.395 2.999 1.158 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.189 5.056 2.142 1.00 31.22 C ATOM 0 H THR A 20 -5.336 4.177 0.661 1.00 23.35 H new ATOM 0 HA THR A 20 -7.930 5.235 -0.280 1.00 41.50 H new ATOM 0 HB THR A 20 -7.293 4.150 2.487 1.00 41.20 H new ATOM 0 HG1 THR A 20 -8.866 2.514 1.867 1.00 3.43 H new ATOM 0 HG21 THR A 20 -9.691 4.489 2.926 1.00 31.22 H new ATOM 0 HG22 THR A 20 -8.867 6.018 2.540 1.00 31.22 H new ATOM 0 HG23 THR A 20 -9.879 5.218 1.314 1.00 31.22 H new ATOM 310 N HIS A 21 -7.337 7.467 0.649 1.00 60.00 N ATOM 311 CA HIS A 21 -6.888 8.796 1.043 1.00 53.44 C ATOM 312 C HIS A 21 -7.734 9.302 2.213 1.00 3.33 C ATOM 313 O HIS A 21 -8.894 8.925 2.349 1.00 50.01 O ATOM 314 CB HIS A 21 -6.983 9.757 -0.153 1.00 33.01 C ATOM 315 CG HIS A 21 -6.116 10.975 -0.026 1.00 2.43 C ATOM 316 ND1 HIS A 21 -6.443 12.196 -0.569 1.00 11.24 N ATOM 317 CD2 HIS A 21 -4.920 11.147 0.579 1.00 2.41 C ATOM 318 CE1 HIS A 21 -5.487 13.062 -0.300 1.00 12.55 C ATOM 319 NE2 HIS A 21 -4.549 12.454 0.399 1.00 2.25 N ATOM 0 H HIS A 21 -8.149 7.460 0.031 1.00 60.00 H new ATOM 0 HA HIS A 21 -5.847 8.747 1.363 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -6.707 9.220 -1.061 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -8.020 10.072 -0.272 1.00 33.01 H new ATOM 0 HD2 HIS A 21 -4.358 10.392 1.108 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -5.474 14.099 -0.602 1.00 12.55 H new ATOM 0 HE2 HIS A 21 -3.692 12.884 0.747 1.00 2.25 H new ATOM 328 N ALA A 22 -7.152 10.130 3.072 1.00 22.31 N ATOM 329 CA ALA A 22 -7.883 10.665 4.216 1.00 61.45 C ATOM 330 C ALA A 22 -8.978 11.621 3.764 1.00 51.41 C ATOM 331 O ALA A 22 -10.072 11.630 4.323 1.00 24.14 O ATOM 332 CB ALA A 22 -6.941 11.354 5.192 1.00 42.22 C ATOM 0 H ALA A 22 -6.184 10.444 3.000 1.00 22.31 H new ATOM 0 HA ALA A 22 -8.353 9.827 4.731 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -7.512 11.744 6.035 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -6.203 10.637 5.553 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -6.432 12.176 4.688 1.00 42.22 H new ATOM 338 N ASN A 23 -8.680 12.431 2.757 1.00 43.42 N ATOM 339 CA ASN A 23 -9.674 13.343 2.203 1.00 4.22 C ATOM 340 C ASN A 23 -10.674 12.591 1.329 1.00 24.23 C ATOM 341 O ASN A 23 -11.851 12.935 1.283 1.00 45.42 O ATOM 342 CB ASN A 23 -9.004 14.455 1.396 1.00 54.21 C ATOM 343 CG ASN A 23 -10.012 15.399 0.762 1.00 72.21 C ATOM 344 OD1 ASN A 23 -10.406 15.227 -0.394 1.00 53.25 O ATOM 345 ND2 ASN A 23 -10.450 16.390 1.515 1.00 73.04 N ATOM 0 H ASN A 23 -7.765 12.476 2.309 1.00 43.42 H new ATOM 0 HA ASN A 23 -10.212 13.795 3.037 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -8.339 15.022 2.047 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -8.385 14.012 0.616 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -11.138 17.046 1.145 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -10.101 16.500 2.467 1.00 73.04 H new ATOM 352 N LEU A 24 -10.201 11.562 0.641 1.00 15.41 N ATOM 353 CA LEU A 24 -11.062 10.764 -0.217 1.00 0.50 C ATOM 354 C LEU A 24 -11.331 9.407 0.420 1.00 62.32 C ATOM 355 O LEU A 24 -10.550 8.470 0.249 1.00 62.23 O ATOM 356 CB LEU A 24 -10.433 10.582 -1.602 1.00 50.25 C ATOM 357 CG LEU A 24 -10.278 11.867 -2.421 1.00 63.42 C ATOM 358 CD1 LEU A 24 -9.612 11.576 -3.758 1.00 70.44 C ATOM 359 CD2 LEU A 24 -11.632 12.527 -2.631 1.00 24.12 C ATOM 0 H LEU A 24 -9.227 11.261 0.661 1.00 15.41 H new ATOM 0 HA LEU A 24 -12.008 11.292 -0.336 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -9.450 10.127 -1.480 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -11.042 9.879 -2.170 1.00 50.25 H new ATOM 0 HG LEU A 24 -9.640 12.554 -1.866 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -9.512 12.502 -4.324 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -8.625 11.146 -3.587 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -10.222 10.870 -4.322 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -11.506 13.439 -3.215 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -12.291 11.843 -3.165 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -12.071 12.773 -1.664 1.00 24.12 H new ATOM 371 N LYS A 25 -12.434 9.330 1.164 1.00 53.45 N ATOM 372 CA LYS A 25 -12.818 8.127 1.901 1.00 2.12 C ATOM 373 C LYS A 25 -12.792 6.891 1.009 1.00 72.15 C ATOM 374 O LYS A 25 -12.169 5.887 1.345 1.00 11.55 O ATOM 375 CB LYS A 25 -14.218 8.314 2.493 1.00 30.44 C ATOM 376 CG LYS A 25 -14.711 7.133 3.308 1.00 32.12 C ATOM 377 CD LYS A 25 -13.901 6.943 4.580 1.00 72.14 C ATOM 378 CE LYS A 25 -14.434 5.772 5.386 1.00 33.32 C ATOM 379 NZ LYS A 25 -13.707 5.579 6.669 1.00 2.24 N ATOM 0 H LYS A 25 -13.089 10.104 1.273 1.00 53.45 H new ATOM 0 HA LYS A 25 -12.095 7.974 2.702 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -14.218 9.202 3.125 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -14.922 8.500 1.682 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -15.760 7.282 3.565 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -14.656 6.227 2.704 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -12.854 6.771 4.328 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -13.939 7.852 5.181 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -15.492 5.931 5.593 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -14.359 4.862 4.790 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -14.111 4.767 7.178 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -12.701 5.400 6.475 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -13.799 6.435 7.253 1.00 2.24 H new ATOM 393 N SER A 26 -13.462 6.966 -0.127 1.00 73.01 N ATOM 394 CA SER A 26 -13.463 5.860 -1.058 1.00 75.14 C ATOM 395 C SER A 26 -12.568 6.183 -2.248 1.00 54.31 C ATOM 396 O SER A 26 -12.970 6.878 -3.181 1.00 32.04 O ATOM 397 CB SER A 26 -14.887 5.539 -1.517 1.00 20.11 C ATOM 398 OG SER A 26 -14.926 4.324 -2.250 1.00 11.21 O ATOM 0 H SER A 26 -14.007 7.776 -0.423 1.00 73.01 H new ATOM 0 HA SER A 26 -13.069 4.977 -0.555 1.00 75.14 H new ATOM 0 HB2 SER A 26 -15.544 5.466 -0.650 1.00 20.11 H new ATOM 0 HB3 SER A 26 -15.265 6.353 -2.136 1.00 20.11 H new ATOM 0 HG SER A 26 -15.847 4.141 -2.531 1.00 11.21 H new ATOM 404 N PHE A 27 -11.336 5.707 -2.189 1.00 62.03 N ATOM 405 CA PHE A 27 -10.377 5.931 -3.253 1.00 51.01 C ATOM 406 C PHE A 27 -10.239 4.655 -4.078 1.00 73.42 C ATOM 407 O PHE A 27 -9.802 3.624 -3.570 1.00 51.45 O ATOM 408 CB PHE A 27 -9.030 6.351 -2.652 1.00 21.01 C ATOM 409 CG PHE A 27 -8.066 6.943 -3.641 1.00 71.23 C ATOM 410 CD1 PHE A 27 -8.228 8.244 -4.090 1.00 74.22 C ATOM 411 CD2 PHE A 27 -6.991 6.207 -4.111 1.00 10.41 C ATOM 412 CE1 PHE A 27 -7.335 8.799 -4.988 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.097 6.755 -5.011 1.00 64.15 C ATOM 414 CZ PHE A 27 -6.268 8.052 -5.450 1.00 70.11 C ATOM 0 H PHE A 27 -10.976 5.159 -1.408 1.00 62.03 H new ATOM 0 HA PHE A 27 -10.721 6.732 -3.907 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -9.210 7.077 -1.860 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -8.566 5.481 -2.187 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -9.062 8.831 -3.734 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -6.850 5.192 -3.770 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -7.471 9.815 -5.328 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.265 6.168 -5.371 1.00 64.15 H new ATOM 0 HZ PHE A 27 -5.570 8.482 -6.153 1.00 70.11 H new ATOM 424 N SER A 28 -10.647 4.714 -5.336 1.00 43.10 N ATOM 425 CA SER A 28 -10.635 3.535 -6.187 1.00 24.32 C ATOM 426 C SER A 28 -9.245 3.291 -6.768 1.00 20.43 C ATOM 427 O SER A 28 -8.944 3.713 -7.884 1.00 42.51 O ATOM 428 CB SER A 28 -11.660 3.682 -7.310 1.00 54.25 C ATOM 429 OG SER A 28 -12.941 3.995 -6.785 1.00 31.44 O ATOM 0 H SER A 28 -10.989 5.562 -5.789 1.00 43.10 H new ATOM 0 HA SER A 28 -10.902 2.673 -5.575 1.00 24.32 H new ATOM 0 HB2 SER A 28 -11.343 4.466 -7.998 1.00 54.25 H new ATOM 0 HB3 SER A 28 -11.713 2.757 -7.883 1.00 54.25 H new ATOM 0 HG SER A 28 -13.582 4.087 -7.520 1.00 31.44 H new ATOM 435 N ALA A 29 -8.393 2.641 -5.990 1.00 2.13 N ATOM 436 CA ALA A 29 -7.058 2.299 -6.444 1.00 21.42 C ATOM 437 C ALA A 29 -6.590 0.993 -5.819 1.00 0.31 C ATOM 438 O ALA A 29 -6.010 0.976 -4.730 1.00 13.01 O ATOM 439 CB ALA A 29 -6.076 3.422 -6.139 1.00 3.22 C ATOM 0 H ALA A 29 -8.605 2.340 -5.039 1.00 2.13 H new ATOM 0 HA ALA A 29 -7.096 2.165 -7.525 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -5.082 3.142 -6.489 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -6.396 4.333 -6.646 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -6.046 3.597 -5.064 1.00 3.22 H new ATOM 445 N ASP A 30 -6.880 -0.104 -6.496 1.00 31.13 N ATOM 446 CA ASP A 30 -6.387 -1.402 -6.079 1.00 1.43 C ATOM 447 C ASP A 30 -5.298 -1.850 -7.038 1.00 12.41 C ATOM 448 O ASP A 30 -5.496 -1.898 -8.253 1.00 71.02 O ATOM 449 CB ASP A 30 -7.512 -2.453 -6.002 1.00 63.31 C ATOM 450 CG ASP A 30 -8.073 -2.853 -7.356 1.00 24.24 C ATOM 451 OD1 ASP A 30 -8.986 -2.162 -7.854 1.00 74.31 O ATOM 452 OD2 ASP A 30 -7.616 -3.871 -7.922 1.00 53.34 O ATOM 0 H ASP A 30 -7.455 -0.120 -7.338 1.00 31.13 H new ATOM 0 HA ASP A 30 -5.979 -1.308 -5.073 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -7.131 -3.343 -5.500 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -8.321 -2.061 -5.386 1.00 63.31 H new ATOM 457 N ALA A 31 -4.135 -2.126 -6.493 1.00 75.45 N ATOM 458 CA ALA A 31 -3.023 -2.595 -7.288 1.00 40.31 C ATOM 459 C ALA A 31 -2.352 -3.755 -6.589 1.00 54.43 C ATOM 460 O ALA A 31 -2.182 -3.740 -5.370 1.00 63.41 O ATOM 461 CB ALA A 31 -2.028 -1.470 -7.539 1.00 14.23 C ATOM 0 H ALA A 31 -3.934 -2.033 -5.497 1.00 75.45 H new ATOM 0 HA ALA A 31 -3.397 -2.932 -8.255 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -1.199 -1.845 -8.139 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -2.523 -0.658 -8.071 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -1.648 -1.101 -6.586 1.00 14.23 H new ATOM 467 N ARG A 32 -2.011 -4.776 -7.348 1.00 30.40 N ATOM 468 CA ARG A 32 -1.301 -5.905 -6.796 1.00 51.03 C ATOM 469 C ARG A 32 0.193 -5.725 -7.007 1.00 22.13 C ATOM 470 O ARG A 32 0.717 -5.918 -8.104 1.00 40.03 O ATOM 471 CB ARG A 32 -1.803 -7.229 -7.391 1.00 1.31 C ATOM 472 CG ARG A 32 -1.729 -7.328 -8.910 1.00 33.23 C ATOM 473 CD ARG A 32 -2.113 -8.723 -9.374 1.00 52.33 C ATOM 474 NE ARG A 32 -1.862 -8.941 -10.801 1.00 15.15 N ATOM 475 CZ ARG A 32 -0.892 -9.737 -11.262 1.00 55.33 C ATOM 476 NH1 ARG A 32 -0.006 -10.256 -10.422 1.00 14.24 N ATOM 477 NH2 ARG A 32 -0.793 -10.000 -12.560 1.00 5.05 N ATOM 0 H ARG A 32 -2.214 -4.845 -8.345 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.495 -5.951 -5.724 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -1.222 -8.045 -6.961 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -2.838 -7.378 -7.083 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -2.395 -6.593 -9.361 1.00 33.23 H new ATOM 0 HG3 ARG A 32 -0.720 -7.092 -9.247 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -1.554 -9.459 -8.796 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -3.170 -8.891 -9.167 1.00 52.33 H new ATOM 0 HE ARG A 32 -2.457 -8.461 -11.476 1.00 15.15 H new ATOM 0 HH11 ARG A 32 -0.065 -10.048 -9.425 1.00 14.24 H new ATOM 0 HH12 ARG A 32 0.734 -10.863 -10.773 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -1.461 -9.593 -13.215 1.00 5.05 H new ATOM 0 HH22 ARG A 32 -0.049 -10.609 -12.902 1.00 5.05 H new ATOM 491 N PHE A 33 0.866 -5.305 -5.956 1.00 50.41 N ATOM 492 CA PHE A 33 2.297 -5.091 -6.018 1.00 23.33 C ATOM 493 C PHE A 33 3.022 -6.403 -5.776 1.00 22.22 C ATOM 494 O PHE A 33 2.409 -7.400 -5.387 1.00 30.14 O ATOM 495 CB PHE A 33 2.733 -4.050 -4.980 1.00 73.21 C ATOM 496 CG PHE A 33 2.045 -2.721 -5.124 1.00 12.15 C ATOM 497 CD1 PHE A 33 2.493 -1.789 -6.049 1.00 42.12 C ATOM 498 CD2 PHE A 33 0.956 -2.400 -4.329 1.00 60.13 C ATOM 499 CE1 PHE A 33 1.864 -0.565 -6.181 1.00 73.02 C ATOM 500 CE2 PHE A 33 0.321 -1.178 -4.458 1.00 63.24 C ATOM 501 CZ PHE A 33 0.777 -0.259 -5.383 1.00 15.44 C ATOM 0 H PHE A 33 0.445 -5.105 -5.049 1.00 50.41 H new ATOM 0 HA PHE A 33 2.552 -4.716 -7.009 1.00 23.33 H new ATOM 0 HB2 PHE A 33 2.538 -4.443 -3.982 1.00 73.21 H new ATOM 0 HB3 PHE A 33 3.810 -3.901 -5.059 1.00 73.21 H new ATOM 0 HD1 PHE A 33 3.343 -2.022 -6.673 1.00 42.12 H new ATOM 0 HD2 PHE A 33 0.599 -3.113 -3.600 1.00 60.13 H new ATOM 0 HE1 PHE A 33 2.221 0.151 -6.906 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -0.530 -0.943 -3.836 1.00 63.24 H new ATOM 0 HZ PHE A 33 0.285 0.697 -5.483 1.00 15.44 H new ATOM 511 N SER A 34 4.316 -6.406 -6.019 1.00 22.11 N ATOM 512 CA SER A 34 5.129 -7.565 -5.733 1.00 50.41 C ATOM 513 C SER A 34 5.887 -7.351 -4.423 1.00 34.14 C ATOM 514 O SER A 34 6.215 -6.214 -4.068 1.00 72.42 O ATOM 515 CB SER A 34 6.096 -7.829 -6.890 1.00 33.20 C ATOM 516 OG SER A 34 6.787 -6.647 -7.266 1.00 72.21 O ATOM 0 H SER A 34 4.826 -5.616 -6.415 1.00 22.11 H new ATOM 0 HA SER A 34 4.488 -8.439 -5.623 1.00 50.41 H new ATOM 0 HB2 SER A 34 6.814 -8.595 -6.599 1.00 33.20 H new ATOM 0 HB3 SER A 34 5.544 -8.218 -7.746 1.00 33.20 H new ATOM 0 HG SER A 34 7.660 -6.884 -7.642 1.00 72.21 H new ATOM 522 N PRO A 35 6.176 -8.433 -3.681 1.00 10.21 N ATOM 523 CA PRO A 35 6.865 -8.347 -2.384 1.00 33.11 C ATOM 524 C PRO A 35 8.342 -7.961 -2.510 1.00 13.13 C ATOM 525 O PRO A 35 9.115 -8.105 -1.561 1.00 51.42 O ATOM 526 CB PRO A 35 6.726 -9.766 -1.828 1.00 24.12 C ATOM 527 CG PRO A 35 6.605 -10.636 -3.031 1.00 44.44 C ATOM 528 CD PRO A 35 5.847 -9.826 -4.042 1.00 4.33 C ATOM 0 HA PRO A 35 6.437 -7.571 -1.749 1.00 33.11 H new ATOM 0 HB2 PRO A 35 7.592 -10.042 -1.226 1.00 24.12 H new ATOM 0 HB3 PRO A 35 5.850 -9.855 -1.186 1.00 24.12 H new ATOM 0 HG2 PRO A 35 7.587 -10.917 -3.411 1.00 44.44 H new ATOM 0 HG3 PRO A 35 6.078 -11.560 -2.795 1.00 44.44 H new ATOM 0 HD2 PRO A 35 6.158 -10.061 -5.060 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.775 -10.013 -3.985 1.00 4.33 H new ATOM 536 N GLN A 36 8.726 -7.458 -3.676 1.00 2.12 N ATOM 537 CA GLN A 36 10.108 -7.072 -3.934 1.00 31.42 C ATOM 538 C GLN A 36 10.394 -5.672 -3.411 1.00 44.25 C ATOM 539 O GLN A 36 11.491 -5.390 -2.931 1.00 4.23 O ATOM 540 CB GLN A 36 10.397 -7.120 -5.434 1.00 13.50 C ATOM 541 CG GLN A 36 10.273 -8.504 -6.039 1.00 63.32 C ATOM 542 CD GLN A 36 10.419 -8.484 -7.543 1.00 52.41 C ATOM 543 OE1 GLN A 36 9.307 -8.339 -8.240 1.00 62.15 O flip ATOM 544 NE2 GLN A 36 11.523 -8.597 -8.076 1.00 14.42 N flip ATOM 0 H GLN A 36 8.095 -7.307 -4.463 1.00 2.12 H new ATOM 0 HA GLN A 36 10.754 -7.778 -3.412 1.00 31.42 H new ATOM 0 HB2 GLN A 36 9.711 -6.447 -5.948 1.00 13.50 H new ATOM 0 HB3 GLN A 36 11.405 -6.745 -5.612 1.00 13.50 H new ATOM 0 HG2 GLN A 36 11.034 -9.156 -5.610 1.00 63.32 H new ATOM 0 HG3 GLN A 36 9.304 -8.929 -5.775 1.00 63.32 H new ATOM 0 HE21 GLN A 36 12.358 -8.707 -7.501 1.00 14.42 H new ATOM 0 HE22 GLN A 36 11.603 -8.580 -9.093 1.00 14.42 H new ATOM 553 N MET A 37 9.403 -4.796 -3.508 1.00 31.44 N ATOM 554 CA MET A 37 9.586 -3.397 -3.135 1.00 73.02 C ATOM 555 C MET A 37 9.533 -3.238 -1.619 1.00 34.53 C ATOM 556 O MET A 37 8.720 -3.874 -0.952 1.00 53.23 O ATOM 557 CB MET A 37 8.513 -2.528 -3.794 1.00 74.13 C ATOM 558 CG MET A 37 8.698 -1.035 -3.555 1.00 71.55 C ATOM 559 SD MET A 37 7.388 -0.042 -4.303 1.00 14.42 S ATOM 560 CE MET A 37 5.966 -0.592 -3.362 1.00 65.20 C ATOM 0 H MET A 37 8.467 -5.027 -3.840 1.00 31.44 H new ATOM 0 HA MET A 37 10.566 -3.071 -3.485 1.00 73.02 H new ATOM 0 HB2 MET A 37 8.514 -2.717 -4.867 1.00 74.13 H new ATOM 0 HB3 MET A 37 7.535 -2.828 -3.418 1.00 74.13 H new ATOM 0 HG2 MET A 37 8.726 -0.844 -2.482 1.00 71.55 H new ATOM 0 HG3 MET A 37 9.661 -0.723 -3.960 1.00 71.55 H new ATOM 0 HE1 MET A 37 5.170 0.148 -3.440 1.00 65.20 H new ATOM 0 HE2 MET A 37 5.615 -1.546 -3.757 1.00 65.20 H new ATOM 0 HE3 MET A 37 6.247 -0.714 -2.316 1.00 65.20 H new ATOM 570 N SER A 38 10.416 -2.416 -1.079 1.00 65.35 N ATOM 571 CA SER A 38 10.420 -2.130 0.346 1.00 54.10 C ATOM 572 C SER A 38 9.590 -0.881 0.634 1.00 12.34 C ATOM 573 O SER A 38 9.416 -0.031 -0.241 1.00 42.15 O ATOM 574 CB SER A 38 11.857 -1.922 0.825 1.00 12.31 C ATOM 575 OG SER A 38 12.690 -2.994 0.420 1.00 34.14 O ATOM 0 H SER A 38 11.142 -1.933 -1.608 1.00 65.35 H new ATOM 0 HA SER A 38 9.982 -2.974 0.879 1.00 54.10 H new ATOM 0 HB2 SER A 38 12.245 -0.985 0.425 1.00 12.31 H new ATOM 0 HB3 SER A 38 11.873 -1.836 1.911 1.00 12.31 H new ATOM 0 HG SER A 38 13.604 -2.836 0.737 1.00 34.14 H new ATOM 581 N VAL A 39 9.086 -0.764 1.859 1.00 20.43 N ATOM 582 CA VAL A 39 8.323 0.416 2.260 1.00 45.32 C ATOM 583 C VAL A 39 9.234 1.644 2.267 1.00 10.11 C ATOM 584 O VAL A 39 8.811 2.765 1.985 1.00 64.02 O ATOM 585 CB VAL A 39 7.698 0.238 3.662 1.00 20.13 C ATOM 586 CG1 VAL A 39 6.781 1.403 4.005 1.00 63.52 C ATOM 587 CG2 VAL A 39 6.949 -1.086 3.763 1.00 63.45 C ATOM 0 H VAL A 39 9.191 -1.468 2.589 1.00 20.43 H new ATOM 0 HA VAL A 39 7.516 0.551 1.539 1.00 45.32 H new ATOM 0 HB VAL A 39 8.511 0.224 4.388 1.00 20.13 H new ATOM 0 HG11 VAL A 39 6.355 1.251 4.997 1.00 63.52 H new ATOM 0 HG12 VAL A 39 7.352 2.331 3.994 1.00 63.52 H new ATOM 0 HG13 VAL A 39 5.978 1.462 3.271 1.00 63.52 H new ATOM 0 HG21 VAL A 39 6.519 -1.186 4.760 1.00 63.45 H new ATOM 0 HG22 VAL A 39 6.152 -1.111 3.020 1.00 63.45 H new ATOM 0 HG23 VAL A 39 7.640 -1.910 3.582 1.00 63.45 H new ATOM 597 N GLU A 40 10.496 1.402 2.582 1.00 23.22 N ATOM 598 CA GLU A 40 11.523 2.433 2.571 1.00 24.11 C ATOM 599 C GLU A 40 11.635 3.081 1.190 1.00 1.32 C ATOM 600 O GLU A 40 11.879 4.284 1.073 1.00 22.10 O ATOM 601 CB GLU A 40 12.853 1.796 2.975 1.00 51.23 C ATOM 602 CG GLU A 40 14.026 2.755 3.020 1.00 45.44 C ATOM 603 CD GLU A 40 15.290 2.075 3.493 1.00 54.10 C ATOM 604 OE1 GLU A 40 15.965 1.426 2.670 1.00 60.42 O ATOM 605 OE2 GLU A 40 15.605 2.174 4.694 1.00 45.12 O ATOM 0 H GLU A 40 10.839 0.481 2.854 1.00 23.22 H new ATOM 0 HA GLU A 40 11.257 3.219 3.278 1.00 24.11 H new ATOM 0 HB2 GLU A 40 12.738 1.338 3.957 1.00 51.23 H new ATOM 0 HB3 GLU A 40 13.084 0.994 2.274 1.00 51.23 H new ATOM 0 HG2 GLU A 40 14.189 3.176 2.028 1.00 45.44 H new ATOM 0 HG3 GLU A 40 13.790 3.586 3.684 1.00 45.44 H new ATOM 612 N ALA A 41 11.417 2.282 0.153 1.00 13.12 N ATOM 613 CA ALA A 41 11.567 2.746 -1.218 1.00 24.12 C ATOM 614 C ALA A 41 10.519 3.793 -1.582 1.00 41.35 C ATOM 615 O ALA A 41 10.840 4.809 -2.198 1.00 74.42 O ATOM 616 CB ALA A 41 11.498 1.571 -2.181 1.00 23.02 C ATOM 0 H ALA A 41 11.135 1.306 0.238 1.00 13.12 H new ATOM 0 HA ALA A 41 12.545 3.220 -1.300 1.00 24.12 H new ATOM 0 HB1 ALA A 41 11.612 1.931 -3.203 1.00 23.02 H new ATOM 0 HB2 ALA A 41 12.298 0.867 -1.954 1.00 23.02 H new ATOM 0 HB3 ALA A 41 10.535 1.072 -2.077 1.00 23.02 H new ATOM 622 N VAL A 42 9.268 3.553 -1.198 1.00 51.22 N ATOM 623 CA VAL A 42 8.187 4.472 -1.548 1.00 25.41 C ATOM 624 C VAL A 42 8.354 5.812 -0.831 1.00 20.03 C ATOM 625 O VAL A 42 8.032 6.860 -1.385 1.00 21.00 O ATOM 626 CB VAL A 42 6.787 3.867 -1.263 1.00 50.02 C ATOM 627 CG1 VAL A 42 6.538 3.692 0.228 1.00 31.42 C ATOM 628 CG2 VAL A 42 5.696 4.718 -1.896 1.00 55.34 C ATOM 0 H VAL A 42 8.979 2.741 -0.652 1.00 51.22 H new ATOM 0 HA VAL A 42 8.251 4.643 -2.623 1.00 25.41 H new ATOM 0 HB VAL A 42 6.761 2.875 -1.715 1.00 50.02 H new ATOM 0 HG11 VAL A 42 5.547 3.266 0.384 1.00 31.42 H new ATOM 0 HG12 VAL A 42 7.290 3.023 0.647 1.00 31.42 H new ATOM 0 HG13 VAL A 42 6.598 4.661 0.723 1.00 31.42 H new ATOM 0 HG21 VAL A 42 4.722 4.277 -1.685 1.00 55.34 H new ATOM 0 HG22 VAL A 42 5.735 5.726 -1.483 1.00 55.34 H new ATOM 0 HG23 VAL A 42 5.848 4.762 -2.974 1.00 55.34 H new ATOM 638 N LYS A 43 8.889 5.773 0.387 1.00 40.41 N ATOM 639 CA LYS A 43 9.189 6.993 1.130 1.00 51.44 C ATOM 640 C LYS A 43 10.157 7.862 0.343 1.00 75.14 C ATOM 641 O LYS A 43 9.881 9.031 0.063 1.00 24.13 O ATOM 642 CB LYS A 43 9.815 6.665 2.486 1.00 5.25 C ATOM 643 CG LYS A 43 8.857 6.077 3.504 1.00 72.22 C ATOM 644 CD LYS A 43 9.574 5.815 4.819 1.00 53.21 C ATOM 645 CE LYS A 43 8.608 5.470 5.938 1.00 73.50 C ATOM 646 NZ LYS A 43 9.315 5.330 7.235 1.00 12.44 N ATOM 0 H LYS A 43 9.123 4.911 0.879 1.00 40.41 H new ATOM 0 HA LYS A 43 8.252 7.527 1.286 1.00 51.44 H new ATOM 0 HB2 LYS A 43 10.635 5.963 2.332 1.00 5.25 H new ATOM 0 HB3 LYS A 43 10.249 7.575 2.900 1.00 5.25 H new ATOM 0 HG2 LYS A 43 8.025 6.762 3.667 1.00 72.22 H new ATOM 0 HG3 LYS A 43 8.435 5.148 3.121 1.00 72.22 H new ATOM 0 HD2 LYS A 43 10.283 4.998 4.688 1.00 53.21 H new ATOM 0 HD3 LYS A 43 10.152 6.696 5.098 1.00 53.21 H new ATOM 0 HE2 LYS A 43 7.848 6.247 6.018 1.00 73.50 H new ATOM 0 HE3 LYS A 43 8.090 4.540 5.701 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 8.638 5.044 7.971 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 10.058 4.607 7.149 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 9.746 6.240 7.496 1.00 12.44 H new ATOM 660 N GLU A 44 11.287 7.269 -0.019 1.00 3.40 N ATOM 661 CA GLU A 44 12.323 7.957 -0.772 1.00 53.14 C ATOM 662 C GLU A 44 11.780 8.492 -2.096 1.00 31.02 C ATOM 663 O GLU A 44 12.097 9.608 -2.508 1.00 10.50 O ATOM 664 CB GLU A 44 13.489 6.998 -1.024 1.00 42.13 C ATOM 665 CG GLU A 44 14.576 7.569 -1.913 1.00 2.44 C ATOM 666 CD GLU A 44 15.710 6.591 -2.125 1.00 21.45 C ATOM 667 OE1 GLU A 44 15.531 5.622 -2.893 1.00 1.51 O ATOM 668 OE2 GLU A 44 16.787 6.790 -1.529 1.00 24.43 O ATOM 0 H GLU A 44 11.510 6.298 0.202 1.00 3.40 H new ATOM 0 HA GLU A 44 12.671 8.809 -0.188 1.00 53.14 H new ATOM 0 HB2 GLU A 44 13.928 6.716 -0.067 1.00 42.13 H new ATOM 0 HB3 GLU A 44 13.104 6.086 -1.479 1.00 42.13 H new ATOM 0 HG2 GLU A 44 14.148 7.842 -2.878 1.00 2.44 H new ATOM 0 HG3 GLU A 44 14.966 8.484 -1.466 1.00 2.44 H new ATOM 675 N LYS A 45 10.944 7.695 -2.749 1.00 51.50 N ATOM 676 CA LYS A 45 10.415 8.056 -4.054 1.00 0.30 C ATOM 677 C LYS A 45 9.415 9.209 -3.947 1.00 13.11 C ATOM 678 O LYS A 45 9.362 10.070 -4.823 1.00 74.23 O ATOM 679 CB LYS A 45 9.781 6.837 -4.722 1.00 15.22 C ATOM 680 CG LYS A 45 9.571 7.003 -6.218 1.00 32.34 C ATOM 681 CD LYS A 45 9.448 5.656 -6.918 1.00 34.31 C ATOM 682 CE LYS A 45 10.661 4.785 -6.637 1.00 74.54 C ATOM 683 NZ LYS A 45 10.648 3.527 -7.427 1.00 71.03 N ATOM 0 H LYS A 45 10.619 6.795 -2.395 1.00 51.50 H new ATOM 0 HA LYS A 45 11.242 8.399 -4.676 1.00 0.30 H new ATOM 0 HB2 LYS A 45 10.414 5.967 -4.547 1.00 15.22 H new ATOM 0 HB3 LYS A 45 8.820 6.633 -4.249 1.00 15.22 H new ATOM 0 HG2 LYS A 45 8.671 7.591 -6.397 1.00 32.34 H new ATOM 0 HG3 LYS A 45 10.405 7.561 -6.644 1.00 32.34 H new ATOM 0 HD2 LYS A 45 8.545 5.148 -6.581 1.00 34.31 H new ATOM 0 HD3 LYS A 45 9.346 5.808 -7.992 1.00 34.31 H new ATOM 0 HE2 LYS A 45 11.568 5.345 -6.865 1.00 74.54 H new ATOM 0 HE3 LYS A 45 10.694 4.544 -5.575 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 11.495 2.967 -7.201 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 9.797 2.978 -7.192 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 10.644 3.754 -8.442 1.00 71.03 H new ATOM 697 N LEU A 46 8.637 9.234 -2.869 1.00 4.32 N ATOM 698 CA LEU A 46 7.709 10.337 -2.626 1.00 11.40 C ATOM 699 C LEU A 46 8.478 11.613 -2.308 1.00 43.12 C ATOM 700 O LEU A 46 8.090 12.709 -2.724 1.00 21.12 O ATOM 701 CB LEU A 46 6.750 9.999 -1.481 1.00 40.21 C ATOM 702 CG LEU A 46 5.778 8.855 -1.766 1.00 51.14 C ATOM 703 CD1 LEU A 46 4.952 8.542 -0.528 1.00 53.20 C ATOM 704 CD2 LEU A 46 4.875 9.204 -2.940 1.00 0.44 C ATOM 0 H LEU A 46 8.629 8.508 -2.153 1.00 4.32 H new ATOM 0 HA LEU A 46 7.121 10.495 -3.530 1.00 11.40 H new ATOM 0 HB2 LEU A 46 7.337 9.745 -0.599 1.00 40.21 H new ATOM 0 HB3 LEU A 46 6.174 10.891 -1.234 1.00 40.21 H new ATOM 0 HG LEU A 46 6.353 7.967 -2.029 1.00 51.14 H new ATOM 0 HD11 LEU A 46 4.264 7.725 -0.746 1.00 53.20 H new ATOM 0 HD12 LEU A 46 5.614 8.251 0.287 1.00 53.20 H new ATOM 0 HD13 LEU A 46 4.385 9.426 -0.236 1.00 53.20 H new ATOM 0 HD21 LEU A 46 4.189 8.378 -3.129 1.00 0.44 H new ATOM 0 HD22 LEU A 46 4.305 10.103 -2.706 1.00 0.44 H new ATOM 0 HD23 LEU A 46 5.483 9.381 -3.827 1.00 0.44 H new ATOM 716 N TRP A 47 9.579 11.456 -1.584 1.00 34.12 N ATOM 717 CA TRP A 47 10.460 12.571 -1.261 1.00 65.23 C ATOM 718 C TRP A 47 11.086 13.145 -2.535 1.00 73.54 C ATOM 719 O TRP A 47 11.439 14.322 -2.593 1.00 71.13 O ATOM 720 CB TRP A 47 11.538 12.103 -0.273 1.00 50.12 C ATOM 721 CG TRP A 47 12.520 13.165 0.128 1.00 34.42 C ATOM 722 CD1 TRP A 47 12.240 14.443 0.524 1.00 74.21 C ATOM 723 CD2 TRP A 47 13.943 13.028 0.192 1.00 12.43 C ATOM 724 NE1 TRP A 47 13.408 15.110 0.815 1.00 34.11 N ATOM 725 CE2 TRP A 47 14.463 14.261 0.622 1.00 50.33 C ATOM 726 CE3 TRP A 47 14.830 11.980 -0.078 1.00 13.31 C ATOM 727 CZ2 TRP A 47 15.827 14.478 0.790 1.00 3.12 C ATOM 728 CZ3 TRP A 47 16.185 12.196 0.091 1.00 23.14 C ATOM 729 CH2 TRP A 47 16.672 13.437 0.521 1.00 54.04 C ATOM 0 H TRP A 47 9.885 10.559 -1.207 1.00 34.12 H new ATOM 0 HA TRP A 47 9.881 13.366 -0.792 1.00 65.23 H new ATOM 0 HB2 TRP A 47 11.050 11.721 0.623 1.00 50.12 H new ATOM 0 HB3 TRP A 47 12.084 11.271 -0.718 1.00 50.12 H new ATOM 0 HD1 TRP A 47 11.249 14.866 0.598 1.00 74.21 H new ATOM 0 HE1 TRP A 47 13.476 16.080 1.124 1.00 34.11 H new ATOM 0 HE3 TRP A 47 14.463 11.021 -0.412 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 16.205 15.434 1.121 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 16.880 11.394 -0.112 1.00 23.14 H new ATOM 0 HH2 TRP A 47 17.736 13.574 0.643 1.00 54.04 H new ATOM 740 N LYS A 48 11.207 12.310 -3.557 1.00 22.34 N ATOM 741 CA LYS A 48 11.702 12.753 -4.854 1.00 74.55 C ATOM 742 C LYS A 48 10.568 13.329 -5.697 1.00 2.32 C ATOM 743 O LYS A 48 10.733 14.348 -6.367 1.00 13.33 O ATOM 744 CB LYS A 48 12.354 11.591 -5.606 1.00 40.12 C ATOM 745 CG LYS A 48 13.649 11.101 -4.983 1.00 22.33 C ATOM 746 CD LYS A 48 14.238 9.946 -5.772 1.00 43.23 C ATOM 747 CE LYS A 48 15.626 9.575 -5.272 1.00 3.24 C ATOM 748 NZ LYS A 48 16.587 10.701 -5.419 1.00 32.34 N ATOM 0 H LYS A 48 10.969 11.319 -3.514 1.00 22.34 H new ATOM 0 HA LYS A 48 12.446 13.530 -4.680 1.00 74.55 H new ATOM 0 HB2 LYS A 48 11.649 10.761 -5.653 1.00 40.12 H new ATOM 0 HB3 LYS A 48 12.551 11.901 -6.632 1.00 40.12 H new ATOM 0 HG2 LYS A 48 14.368 11.920 -4.941 1.00 22.33 H new ATOM 0 HG3 LYS A 48 13.465 10.786 -3.956 1.00 22.33 H new ATOM 0 HD2 LYS A 48 13.580 9.080 -5.696 1.00 43.23 H new ATOM 0 HD3 LYS A 48 14.291 10.215 -6.827 1.00 43.23 H new ATOM 0 HE2 LYS A 48 15.568 9.281 -4.224 1.00 3.24 H new ATOM 0 HE3 LYS A 48 15.992 8.710 -5.825 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 17.456 10.358 -5.876 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 16.160 11.448 -6.003 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 16.818 11.085 -4.481 1.00 32.34 H new ATOM 762 N LYS A 49 9.418 12.669 -5.649 1.00 5.02 N ATOM 763 CA LYS A 49 8.272 13.038 -6.474 1.00 3.34 C ATOM 764 C LYS A 49 7.688 14.387 -6.058 1.00 74.41 C ATOM 765 O LYS A 49 7.578 15.305 -6.871 1.00 2.01 O ATOM 766 CB LYS A 49 7.199 11.948 -6.381 1.00 13.42 C ATOM 767 CG LYS A 49 6.007 12.167 -7.298 1.00 21.12 C ATOM 768 CD LYS A 49 4.960 11.079 -7.115 1.00 3.24 C ATOM 769 CE LYS A 49 3.781 11.269 -8.058 1.00 64.21 C ATOM 770 NZ LYS A 49 4.159 11.055 -9.481 1.00 42.03 N ATOM 0 H LYS A 49 9.252 11.867 -5.041 1.00 5.02 H new ATOM 0 HA LYS A 49 8.613 13.131 -7.505 1.00 3.34 H new ATOM 0 HB2 LYS A 49 7.653 10.986 -6.618 1.00 13.42 H new ATOM 0 HB3 LYS A 49 6.845 11.889 -5.352 1.00 13.42 H new ATOM 0 HG2 LYS A 49 5.562 13.141 -7.093 1.00 21.12 H new ATOM 0 HG3 LYS A 49 6.342 12.182 -8.335 1.00 21.12 H new ATOM 0 HD2 LYS A 49 5.414 10.104 -7.291 1.00 3.24 H new ATOM 0 HD3 LYS A 49 4.606 11.084 -6.084 1.00 3.24 H new ATOM 0 HE2 LYS A 49 2.986 10.575 -7.787 1.00 64.21 H new ATOM 0 HE3 LYS A 49 3.380 12.276 -7.938 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 3.302 11.044 -10.070 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 4.784 11.825 -9.794 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 4.656 10.146 -9.575 1.00 42.03 H new ATOM 784 N CYS A 50 7.318 14.503 -4.791 1.00 12.50 N ATOM 785 CA CYS A 50 6.673 15.711 -4.297 1.00 71.21 C ATOM 786 C CYS A 50 7.699 16.683 -3.727 1.00 35.22 C ATOM 787 O CYS A 50 7.451 17.888 -3.649 1.00 32.40 O ATOM 788 CB CYS A 50 5.636 15.350 -3.231 1.00 10.52 C ATOM 789 SG CYS A 50 4.419 14.133 -3.777 1.00 23.31 S ATOM 0 H CYS A 50 7.453 13.777 -4.087 1.00 12.50 H new ATOM 0 HA CYS A 50 6.172 16.200 -5.132 1.00 71.21 H new ATOM 0 HB2 CYS A 50 6.152 14.964 -2.352 1.00 10.52 H new ATOM 0 HB3 CYS A 50 5.116 16.257 -2.923 1.00 10.52 H new ATOM 0 HG CYS A 50 3.586 13.889 -2.810 1.00 23.31 H new ATOM 795 N GLY A 51 8.858 16.154 -3.339 1.00 35.33 N ATOM 796 CA GLY A 51 9.895 16.987 -2.762 1.00 52.24 C ATOM 797 C GLY A 51 9.525 17.499 -1.384 1.00 30.01 C ATOM 798 O GLY A 51 9.991 18.557 -0.960 1.00 11.52 O ATOM 0 H GLY A 51 9.095 15.165 -3.415 1.00 35.33 H new ATOM 0 HA2 GLY A 51 10.822 16.417 -2.698 1.00 52.24 H new ATOM 0 HA3 GLY A 51 10.086 17.833 -3.422 1.00 52.24 H new ATOM 802 N THR A 52 8.686 16.746 -0.689 1.00 64.54 N ATOM 803 CA THR A 52 8.212 17.130 0.632 1.00 12.55 C ATOM 804 C THR A 52 8.519 16.028 1.642 1.00 5.22 C ATOM 805 O THR A 52 8.539 14.850 1.286 1.00 43.15 O ATOM 806 CB THR A 52 6.690 17.397 0.606 1.00 11.01 C ATOM 807 OG1 THR A 52 6.385 18.335 -0.430 1.00 51.22 O ATOM 808 CG2 THR A 52 6.192 17.941 1.939 1.00 35.50 C ATOM 0 H THR A 52 8.316 15.856 -1.023 1.00 64.54 H new ATOM 0 HA THR A 52 8.727 18.044 0.927 1.00 12.55 H new ATOM 0 HB THR A 52 6.188 16.448 0.417 1.00 11.01 H new ATOM 0 HG1 THR A 52 5.419 18.502 -0.446 1.00 51.22 H new ATOM 0 HG21 THR A 52 5.118 18.116 1.882 1.00 35.50 H new ATOM 0 HG22 THR A 52 6.400 17.218 2.728 1.00 35.50 H new ATOM 0 HG23 THR A 52 6.701 18.878 2.162 1.00 35.50 H new ATOM 816 N SER A 53 8.780 16.417 2.884 1.00 34.34 N ATOM 817 CA SER A 53 9.036 15.465 3.952 1.00 21.23 C ATOM 818 C SER A 53 7.799 14.617 4.231 1.00 20.11 C ATOM 819 O SER A 53 6.682 15.136 4.291 1.00 42.30 O ATOM 820 CB SER A 53 9.455 16.211 5.218 1.00 13.42 C ATOM 821 OG SER A 53 10.564 17.055 4.955 1.00 63.20 O ATOM 0 H SER A 53 8.820 17.394 3.175 1.00 34.34 H new ATOM 0 HA SER A 53 9.842 14.801 3.639 1.00 21.23 H new ATOM 0 HB2 SER A 53 8.620 16.804 5.591 1.00 13.42 H new ATOM 0 HB3 SER A 53 9.712 15.496 6.000 1.00 13.42 H new ATOM 0 HG SER A 53 10.818 17.526 5.776 1.00 63.20 H new ATOM 827 N VAL A 54 8.000 13.320 4.416 1.00 71.23 N ATOM 828 CA VAL A 54 6.891 12.398 4.644 1.00 73.52 C ATOM 829 C VAL A 54 6.420 12.441 6.096 1.00 64.13 C ATOM 830 O VAL A 54 5.472 11.755 6.474 1.00 30.12 O ATOM 831 CB VAL A 54 7.267 10.949 4.263 1.00 20.24 C ATOM 832 CG1 VAL A 54 7.573 10.849 2.775 1.00 1.30 C ATOM 833 CG2 VAL A 54 8.449 10.463 5.090 1.00 65.15 C ATOM 0 H VAL A 54 8.920 12.880 4.413 1.00 71.23 H new ATOM 0 HA VAL A 54 6.075 12.725 4.000 1.00 73.52 H new ATOM 0 HB VAL A 54 6.414 10.306 4.481 1.00 20.24 H new ATOM 0 HG11 VAL A 54 7.836 9.821 2.526 1.00 1.30 H new ATOM 0 HG12 VAL A 54 6.695 11.148 2.202 1.00 1.30 H new ATOM 0 HG13 VAL A 54 8.407 11.506 2.530 1.00 1.30 H new ATOM 0 HG21 VAL A 54 8.697 9.440 4.805 1.00 65.15 H new ATOM 0 HG22 VAL A 54 9.309 11.108 4.910 1.00 65.15 H new ATOM 0 HG23 VAL A 54 8.189 10.492 6.148 1.00 65.15 H new ATOM 843 N ASN A 55 7.063 13.286 6.897 1.00 63.34 N ATOM 844 CA ASN A 55 6.736 13.420 8.320 1.00 43.51 C ATOM 845 C ASN A 55 5.501 14.317 8.499 1.00 31.24 C ATOM 846 O ASN A 55 5.367 15.045 9.481 1.00 75.22 O ATOM 847 CB ASN A 55 7.945 13.995 9.076 1.00 61.13 C ATOM 848 CG ASN A 55 7.873 13.783 10.579 1.00 55.42 C ATOM 849 OD1 ASN A 55 8.300 12.749 11.094 1.00 60.31 O ATOM 850 ND2 ASN A 55 7.358 14.768 11.295 1.00 15.41 N ATOM 0 H ASN A 55 7.820 13.894 6.585 1.00 63.34 H new ATOM 0 HA ASN A 55 6.503 12.438 8.731 1.00 43.51 H new ATOM 0 HB2 ASN A 55 8.856 13.533 8.695 1.00 61.13 H new ATOM 0 HB3 ASN A 55 8.019 15.063 8.870 1.00 61.13 H new ATOM 0 HD21 ASN A 55 7.304 14.686 12.310 1.00 15.41 H new ATOM 0 HD22 ASN A 55 7.014 15.609 10.832 1.00 15.41 H new ATOM 857 N SER A 56 4.606 14.265 7.530 1.00 24.33 N ATOM 858 CA SER A 56 3.347 14.993 7.584 1.00 0.31 C ATOM 859 C SER A 56 2.271 14.194 6.856 1.00 21.01 C ATOM 860 O SER A 56 1.229 14.723 6.464 1.00 24.13 O ATOM 861 CB SER A 56 3.510 16.377 6.955 1.00 32.42 C ATOM 862 OG SER A 56 4.528 17.109 7.618 1.00 54.44 O ATOM 0 H SER A 56 4.730 13.716 6.680 1.00 24.33 H new ATOM 0 HA SER A 56 3.048 15.127 8.624 1.00 0.31 H new ATOM 0 HB2 SER A 56 3.757 16.275 5.898 1.00 32.42 H new ATOM 0 HB3 SER A 56 2.567 16.921 7.011 1.00 32.42 H new ATOM 0 HG SER A 56 4.620 17.991 7.202 1.00 54.44 H new ATOM 868 N MET A 57 2.532 12.904 6.703 1.00 55.24 N ATOM 869 CA MET A 57 1.636 12.008 5.995 1.00 20.14 C ATOM 870 C MET A 57 1.787 10.598 6.551 1.00 15.22 C ATOM 871 O MET A 57 2.748 9.893 6.238 1.00 43.54 O ATOM 872 CB MET A 57 1.941 12.034 4.495 1.00 40.52 C ATOM 873 CG MET A 57 1.018 11.164 3.659 1.00 53.04 C ATOM 874 SD MET A 57 1.380 11.275 1.893 1.00 12.21 S ATOM 875 CE MET A 57 3.080 10.711 1.862 1.00 55.14 C ATOM 0 H MET A 57 3.371 12.451 7.067 1.00 55.24 H new ATOM 0 HA MET A 57 0.606 12.336 6.138 1.00 20.14 H new ATOM 0 HB2 MET A 57 1.874 13.062 4.139 1.00 40.52 H new ATOM 0 HB3 MET A 57 2.970 11.709 4.339 1.00 40.52 H new ATOM 0 HG2 MET A 57 1.110 10.127 3.981 1.00 53.04 H new ATOM 0 HG3 MET A 57 -0.016 11.462 3.835 1.00 53.04 H new ATOM 0 HE1 MET A 57 3.477 10.806 0.851 1.00 55.14 H new ATOM 0 HE2 MET A 57 3.677 11.316 2.545 1.00 55.14 H new ATOM 0 HE3 MET A 57 3.123 9.667 2.171 1.00 55.14 H new ATOM 885 N ALA A 58 0.851 10.203 7.400 1.00 5.02 N ATOM 886 CA ALA A 58 0.943 8.927 8.096 1.00 14.22 C ATOM 887 C ALA A 58 0.340 7.803 7.269 1.00 64.21 C ATOM 888 O ALA A 58 -0.668 7.995 6.583 1.00 61.13 O ATOM 889 CB ALA A 58 0.260 9.016 9.452 1.00 62.50 C ATOM 0 H ALA A 58 0.018 10.747 7.624 1.00 5.02 H new ATOM 0 HA ALA A 58 1.998 8.700 8.247 1.00 14.22 H new ATOM 0 HB1 ALA A 58 0.336 8.055 9.962 1.00 62.50 H new ATOM 0 HB2 ALA A 58 0.744 9.785 10.054 1.00 62.50 H new ATOM 0 HB3 ALA A 58 -0.791 9.271 9.314 1.00 62.50 H new ATOM 895 N LEU A 59 0.960 6.635 7.334 1.00 20.22 N ATOM 896 CA LEU A 59 0.475 5.469 6.616 1.00 31.41 C ATOM 897 C LEU A 59 -0.270 4.546 7.567 1.00 10.30 C ATOM 898 O LEU A 59 0.338 3.838 8.373 1.00 33.44 O ATOM 899 CB LEU A 59 1.639 4.725 5.955 1.00 71.23 C ATOM 900 CG LEU A 59 2.424 5.534 4.916 1.00 0.45 C ATOM 901 CD1 LEU A 59 3.583 4.717 4.372 1.00 74.22 C ATOM 902 CD2 LEU A 59 1.507 5.984 3.784 1.00 64.44 C ATOM 0 H LEU A 59 1.805 6.470 7.881 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.210 5.798 5.835 1.00 31.41 H new ATOM 0 HB2 LEU A 59 2.328 4.397 6.733 1.00 71.23 H new ATOM 0 HB3 LEU A 59 1.250 3.827 5.475 1.00 71.23 H new ATOM 0 HG LEU A 59 2.828 6.422 5.403 1.00 0.45 H new ATOM 0 HD11 LEU A 59 4.130 5.306 3.636 1.00 74.22 H new ATOM 0 HD12 LEU A 59 4.252 4.446 5.189 1.00 74.22 H new ATOM 0 HD13 LEU A 59 3.200 3.812 3.901 1.00 74.22 H new ATOM 0 HD21 LEU A 59 2.082 6.557 3.056 1.00 64.44 H new ATOM 0 HD22 LEU A 59 1.074 5.110 3.298 1.00 64.44 H new ATOM 0 HD23 LEU A 59 0.709 6.607 4.188 1.00 64.44 H new ATOM 914 N GLU A 60 -1.588 4.591 7.498 1.00 25.15 N ATOM 915 CA GLU A 60 -2.429 3.764 8.346 1.00 74.12 C ATOM 916 C GLU A 60 -2.727 2.440 7.665 1.00 53.32 C ATOM 917 O GLU A 60 -3.441 2.400 6.664 1.00 10.11 O ATOM 918 CB GLU A 60 -3.739 4.491 8.645 1.00 33.23 C ATOM 919 CG GLU A 60 -3.555 5.806 9.374 1.00 1.33 C ATOM 920 CD GLU A 60 -3.448 5.630 10.869 1.00 23.33 C ATOM 921 OE1 GLU A 60 -2.326 5.412 11.373 1.00 20.15 O ATOM 922 OE2 GLU A 60 -4.491 5.717 11.546 1.00 14.32 O ATOM 0 H GLU A 60 -2.103 5.196 6.858 1.00 25.15 H new ATOM 0 HA GLU A 60 -1.899 3.571 9.279 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -4.263 4.676 7.707 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -4.377 3.840 9.244 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -2.656 6.299 9.005 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -4.395 6.463 9.148 1.00 1.33 H new ATOM 929 N LEU A 61 -2.175 1.363 8.189 1.00 52.12 N ATOM 930 CA LEU A 61 -2.451 0.048 7.648 1.00 44.25 C ATOM 931 C LEU A 61 -3.744 -0.487 8.247 1.00 52.01 C ATOM 932 O LEU A 61 -3.802 -0.833 9.429 1.00 34.22 O ATOM 933 CB LEU A 61 -1.287 -0.906 7.922 1.00 14.23 C ATOM 934 CG LEU A 61 -1.431 -2.310 7.327 1.00 22.31 C ATOM 935 CD1 LEU A 61 -1.524 -2.236 5.809 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.260 -3.190 7.752 1.00 34.23 C ATOM 0 H LEU A 61 -1.536 1.373 8.984 1.00 52.12 H new ATOM 0 HA LEU A 61 -2.568 0.125 6.567 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.373 -0.457 7.533 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.162 -0.999 9.001 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.351 -2.756 7.706 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -1.626 -3.242 5.401 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -2.392 -1.640 5.526 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -0.621 -1.773 5.411 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.377 -4.184 7.321 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.673 -2.749 7.400 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.238 -3.266 8.839 1.00 34.23 H new ATOM 948 N TYR A 62 -4.787 -0.510 7.438 1.00 61.14 N ATOM 949 CA TYR A 62 -6.084 -0.986 7.885 1.00 2.11 C ATOM 950 C TYR A 62 -6.176 -2.493 7.800 1.00 61.41 C ATOM 951 O TYR A 62 -6.022 -3.076 6.724 1.00 72.31 O ATOM 952 CB TYR A 62 -7.214 -0.379 7.052 1.00 3.42 C ATOM 953 CG TYR A 62 -7.728 0.944 7.563 1.00 33.02 C ATOM 954 CD1 TYR A 62 -7.879 1.178 8.925 1.00 71.01 C ATOM 955 CD2 TYR A 62 -8.072 1.956 6.683 1.00 32.31 C ATOM 956 CE1 TYR A 62 -8.364 2.383 9.393 1.00 34.21 C ATOM 957 CE2 TYR A 62 -8.560 3.162 7.143 1.00 3.24 C ATOM 958 CZ TYR A 62 -8.702 3.372 8.497 1.00 71.51 C ATOM 959 OH TYR A 62 -9.194 4.577 8.952 1.00 42.20 O ATOM 0 H TYR A 62 -4.762 -0.204 6.465 1.00 61.14 H new ATOM 0 HA TYR A 62 -6.191 -0.675 8.924 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -6.863 -0.247 6.029 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.042 -1.087 7.016 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -7.612 0.404 9.629 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -7.957 1.799 5.621 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -8.477 2.548 10.454 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -8.830 3.939 6.443 1.00 3.24 H new ATOM 0 HH TYR A 62 -8.609 5.304 8.651 1.00 42.20 H new ATOM 969 N ASP A 63 -6.417 -3.119 8.935 1.00 1.43 N ATOM 970 CA ASP A 63 -6.778 -4.522 8.958 1.00 11.23 C ATOM 971 C ASP A 63 -8.293 -4.608 9.090 1.00 2.14 C ATOM 972 O ASP A 63 -8.907 -3.822 9.818 1.00 41.23 O ATOM 973 CB ASP A 63 -6.055 -5.263 10.095 1.00 75.31 C ATOM 974 CG ASP A 63 -6.942 -5.587 11.280 1.00 23.54 C ATOM 975 OD1 ASP A 63 -7.555 -6.674 11.280 1.00 43.34 O ATOM 976 OD2 ASP A 63 -7.013 -4.772 12.226 1.00 53.31 O ATOM 0 H ASP A 63 -6.369 -2.678 9.853 1.00 1.43 H new ATOM 0 HA ASP A 63 -6.465 -5.011 8.036 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -5.637 -6.190 9.703 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -5.217 -4.655 10.436 1.00 75.31 H new ATOM 981 N ASP A 64 -8.905 -5.521 8.356 1.00 4.20 N ATOM 982 CA ASP A 64 -10.359 -5.554 8.269 1.00 5.02 C ATOM 983 C ASP A 64 -10.942 -6.587 9.230 1.00 55.24 C ATOM 984 O ASP A 64 -12.158 -6.750 9.328 1.00 31.43 O ATOM 985 CB ASP A 64 -10.794 -5.838 6.829 1.00 34.42 C ATOM 986 CG ASP A 64 -12.260 -5.541 6.587 1.00 73.43 C ATOM 987 OD1 ASP A 64 -12.661 -4.359 6.699 1.00 53.30 O ATOM 988 OD2 ASP A 64 -13.015 -6.483 6.262 1.00 71.13 O ATOM 0 H ASP A 64 -8.427 -6.243 7.817 1.00 4.20 H new ATOM 0 HA ASP A 64 -10.745 -4.578 8.561 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -10.190 -5.239 6.147 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -10.597 -6.884 6.595 1.00 34.42 H new ATOM 993 N SER A 65 -10.065 -7.274 9.945 1.00 53.42 N ATOM 994 CA SER A 65 -10.484 -8.214 10.968 1.00 34.11 C ATOM 995 C SER A 65 -10.722 -7.456 12.274 1.00 25.34 C ATOM 996 O SER A 65 -11.655 -7.749 13.026 1.00 32.22 O ATOM 997 CB SER A 65 -9.418 -9.302 11.152 1.00 23.22 C ATOM 998 OG SER A 65 -9.797 -10.253 12.134 1.00 30.12 O ATOM 0 H SER A 65 -9.054 -7.196 9.833 1.00 53.42 H new ATOM 0 HA SER A 65 -11.411 -8.701 10.666 1.00 34.11 H new ATOM 0 HB2 SER A 65 -9.249 -9.809 10.202 1.00 23.22 H new ATOM 0 HB3 SER A 65 -8.474 -8.840 11.439 1.00 23.22 H new ATOM 0 HG SER A 65 -9.094 -10.930 12.222 1.00 30.12 H new ATOM 1004 N GLY A 66 -9.864 -6.482 12.534 1.00 62.34 N ATOM 1005 CA GLY A 66 -10.038 -5.606 13.671 1.00 23.35 C ATOM 1006 C GLY A 66 -10.297 -4.179 13.238 1.00 30.24 C ATOM 1007 O GLY A 66 -11.447 -3.799 12.993 1.00 60.44 O ATOM 0 H GLY A 66 -9.039 -6.282 11.968 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -10.870 -5.959 14.280 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -9.147 -5.641 14.298 1.00 23.35 H new ATOM 1011 N SER A 67 -9.226 -3.400 13.105 1.00 65.02 N ATOM 1012 CA SER A 67 -9.323 -1.989 12.731 1.00 11.31 C ATOM 1013 C SER A 67 -7.963 -1.425 12.315 1.00 75.32 C ATOM 1014 O SER A 67 -7.777 -1.007 11.170 1.00 43.41 O ATOM 1015 CB SER A 67 -9.884 -1.145 13.885 1.00 3.55 C ATOM 1016 OG SER A 67 -11.238 -1.463 14.160 1.00 12.21 O ATOM 0 H SER A 67 -8.271 -3.726 13.252 1.00 65.02 H new ATOM 0 HA SER A 67 -10.004 -1.936 11.882 1.00 11.31 H new ATOM 0 HB2 SER A 67 -9.283 -1.308 14.780 1.00 3.55 H new ATOM 0 HB3 SER A 67 -9.803 -0.087 13.635 1.00 3.55 H new ATOM 0 HG SER A 67 -11.544 -2.156 13.538 1.00 12.21 H new ATOM 1022 N LYS A 68 -7.014 -1.426 13.241 1.00 11.34 N ATOM 1023 CA LYS A 68 -5.763 -0.706 13.044 1.00 12.01 C ATOM 1024 C LYS A 68 -4.556 -1.585 13.363 1.00 43.03 C ATOM 1025 O LYS A 68 -4.460 -2.141 14.456 1.00 22.42 O ATOM 1026 CB LYS A 68 -5.756 0.532 13.942 1.00 11.52 C ATOM 1027 CG LYS A 68 -4.766 1.601 13.520 1.00 54.44 C ATOM 1028 CD LYS A 68 -4.692 2.718 14.547 1.00 32.53 C ATOM 1029 CE LYS A 68 -4.045 3.965 13.971 1.00 42.22 C ATOM 1030 NZ LYS A 68 -2.694 3.697 13.408 1.00 40.21 N ATOM 0 H LYS A 68 -7.086 -1.915 14.133 1.00 11.34 H new ATOM 0 HA LYS A 68 -5.691 -0.413 11.997 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -6.757 0.964 13.954 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -5.529 0.225 14.963 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -3.779 1.156 13.391 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -5.059 2.011 12.554 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -5.696 2.957 14.898 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -4.124 2.379 15.413 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -4.686 4.375 13.190 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -3.967 4.723 14.750 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -2.366 4.531 12.880 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -2.029 3.494 14.182 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -2.741 2.878 12.768 1.00 40.21 H new ATOM 1044 N VAL A 69 -3.636 -1.699 12.411 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.394 -2.431 12.609 1.00 60.42 C ATOM 1046 C VAL A 69 -1.241 -1.667 11.976 1.00 75.05 C ATOM 1047 O VAL A 69 -1.420 -0.998 10.958 1.00 41.22 O ATOM 1048 CB VAL A 69 -2.441 -3.857 12.009 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -3.440 -4.729 12.750 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -2.768 -3.816 10.523 1.00 71.31 C ATOM 0 H VAL A 69 -3.732 -1.287 11.483 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.250 -2.527 13.685 1.00 60.42 H new ATOM 0 HB VAL A 69 -1.451 -4.297 12.128 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -3.452 -5.725 12.307 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.152 -4.802 13.799 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.434 -4.287 12.676 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -2.794 -4.832 10.128 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -3.740 -3.345 10.377 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -2.004 -3.242 9.998 1.00 71.31 H new ATOM 1060 N ALA A 70 -0.075 -1.745 12.597 1.00 42.43 N ATOM 1061 CA ALA A 70 1.133 -1.106 12.081 1.00 4.24 C ATOM 1062 C ALA A 70 2.339 -1.431 12.955 1.00 41.32 C ATOM 1063 O ALA A 70 2.454 -0.933 14.078 1.00 21.12 O ATOM 1064 CB ALA A 70 0.965 0.406 11.989 1.00 72.42 C ATOM 0 H ALA A 70 0.065 -2.251 13.472 1.00 42.43 H new ATOM 0 HA ALA A 70 1.302 -1.501 11.079 1.00 4.24 H new ATOM 0 HB1 ALA A 70 1.882 0.851 11.602 1.00 72.42 H new ATOM 0 HB2 ALA A 70 0.137 0.640 11.320 1.00 72.42 H new ATOM 0 HB3 ALA A 70 0.756 0.810 12.980 1.00 72.42 H new ATOM 1070 N VAL A 71 3.228 -2.273 12.446 1.00 31.30 N ATOM 1071 CA VAL A 71 4.475 -2.566 13.136 1.00 31.03 C ATOM 1072 C VAL A 71 5.453 -1.420 12.909 1.00 60.25 C ATOM 1073 O VAL A 71 6.001 -0.853 13.858 1.00 3.34 O ATOM 1074 CB VAL A 71 5.099 -3.890 12.644 1.00 53.23 C ATOM 1075 CG1 VAL A 71 6.384 -4.195 13.397 1.00 35.24 C ATOM 1076 CG2 VAL A 71 4.111 -5.039 12.791 1.00 50.24 C ATOM 0 H VAL A 71 3.109 -2.764 11.560 1.00 31.30 H new ATOM 0 HA VAL A 71 4.262 -2.675 14.199 1.00 31.03 H new ATOM 0 HB VAL A 71 5.340 -3.776 11.587 1.00 53.23 H new ATOM 0 HG11 VAL A 71 6.805 -5.132 13.033 1.00 35.24 H new ATOM 0 HG12 VAL A 71 7.100 -3.389 13.236 1.00 35.24 H new ATOM 0 HG13 VAL A 71 6.169 -4.283 14.462 1.00 35.24 H new ATOM 0 HG21 VAL A 71 4.571 -5.962 12.438 1.00 50.24 H new ATOM 0 HG22 VAL A 71 3.834 -5.149 13.840 1.00 50.24 H new ATOM 0 HG23 VAL A 71 3.219 -4.830 12.200 1.00 50.24 H new ATOM 1086 N LEU A 72 5.666 -1.103 11.633 1.00 44.53 N ATOM 1087 CA LEU A 72 6.458 0.055 11.212 1.00 40.44 C ATOM 1088 C LEU A 72 7.945 -0.169 11.480 1.00 53.22 C ATOM 1089 O LEU A 72 8.762 0.739 11.348 1.00 32.30 O ATOM 1090 CB LEU A 72 5.964 1.340 11.891 1.00 44.23 C ATOM 1091 CG LEU A 72 6.464 2.641 11.258 1.00 60.05 C ATOM 1092 CD1 LEU A 72 6.022 2.725 9.803 1.00 52.41 C ATOM 1093 CD2 LEU A 72 5.952 3.842 12.039 1.00 63.10 C ATOM 0 H LEU A 72 5.291 -1.646 10.855 1.00 44.53 H new ATOM 0 HA LEU A 72 6.326 0.174 10.137 1.00 40.44 H new ATOM 0 HB2 LEU A 72 4.874 1.343 11.879 1.00 44.23 H new ATOM 0 HB3 LEU A 72 6.271 1.321 12.937 1.00 44.23 H new ATOM 0 HG LEU A 72 7.553 2.647 11.291 1.00 60.05 H new ATOM 0 HD11 LEU A 72 6.385 3.655 9.366 1.00 52.41 H new ATOM 0 HD12 LEU A 72 6.431 1.880 9.249 1.00 52.41 H new ATOM 0 HD13 LEU A 72 4.934 2.700 9.751 1.00 52.41 H new ATOM 0 HD21 LEU A 72 6.316 4.759 11.576 1.00 63.10 H new ATOM 0 HD22 LEU A 72 4.862 3.841 12.034 1.00 63.10 H new ATOM 0 HD23 LEU A 72 6.310 3.787 13.067 1.00 63.10 H new ATOM 1105 N SER A 73 8.286 -1.387 11.865 1.00 4.43 N ATOM 1106 CA SER A 73 9.673 -1.807 11.939 1.00 34.33 C ATOM 1107 C SER A 73 10.017 -2.497 10.629 1.00 73.41 C ATOM 1108 O SER A 73 11.181 -2.668 10.263 1.00 62.11 O ATOM 1109 CB SER A 73 9.886 -2.753 13.129 1.00 41.22 C ATOM 1110 OG SER A 73 11.247 -3.124 13.262 1.00 31.40 O ATOM 0 H SER A 73 7.615 -2.107 12.133 1.00 4.43 H new ATOM 0 HA SER A 73 10.324 -0.946 12.091 1.00 34.33 H new ATOM 0 HB2 SER A 73 9.549 -2.268 14.045 1.00 41.22 H new ATOM 0 HB3 SER A 73 9.276 -3.647 12.998 1.00 41.22 H new ATOM 0 HG SER A 73 11.349 -3.725 14.029 1.00 31.40 H new ATOM 1116 N ASP A 74 8.960 -2.846 9.913 1.00 3.33 N ATOM 1117 CA ASP A 74 9.050 -3.545 8.644 1.00 34.51 C ATOM 1118 C ASP A 74 9.264 -2.567 7.498 1.00 33.50 C ATOM 1119 O ASP A 74 9.558 -2.969 6.374 1.00 34.14 O ATOM 1120 CB ASP A 74 7.763 -4.343 8.418 1.00 43.22 C ATOM 1121 CG ASP A 74 6.520 -3.479 8.561 1.00 35.34 C ATOM 1122 OD1 ASP A 74 6.209 -3.066 9.707 1.00 72.25 O ATOM 1123 OD2 ASP A 74 5.860 -3.209 7.541 1.00 52.13 O ATOM 0 H ASP A 74 8.002 -2.648 10.203 1.00 3.33 H new ATOM 0 HA ASP A 74 9.904 -4.221 8.674 1.00 34.51 H new ATOM 0 HB2 ASP A 74 7.783 -4.787 7.423 1.00 43.22 H new ATOM 0 HB3 ASP A 74 7.717 -5.165 9.133 1.00 43.22 H new ATOM 1128 N ASP A 75 9.149 -1.276 7.798 1.00 14.01 N ATOM 1129 CA ASP A 75 9.282 -0.235 6.781 1.00 14.04 C ATOM 1130 C ASP A 75 10.697 -0.228 6.209 1.00 72.41 C ATOM 1131 O ASP A 75 10.911 0.128 5.053 1.00 44.35 O ATOM 1132 CB ASP A 75 8.949 1.148 7.362 1.00 1.45 C ATOM 1133 CG ASP A 75 10.155 1.854 7.963 1.00 72.43 C ATOM 1134 OD1 ASP A 75 10.796 1.289 8.873 1.00 31.44 O ATOM 1135 OD2 ASP A 75 10.467 2.982 7.524 1.00 22.14 O ATOM 0 H ASP A 75 8.964 -0.925 8.738 1.00 14.01 H new ATOM 0 HA ASP A 75 8.574 -0.455 5.982 1.00 14.04 H new ATOM 0 HB2 ASP A 75 8.526 1.773 6.575 1.00 1.45 H new ATOM 0 HB3 ASP A 75 8.182 1.037 8.129 1.00 1.45 H new ATOM 1140 N SER A 76 11.651 -0.644 7.027 1.00 53.01 N ATOM 1141 CA SER A 76 13.050 -0.648 6.640 1.00 2.22 C ATOM 1142 C SER A 76 13.414 -1.969 5.965 1.00 60.43 C ATOM 1143 O SER A 76 14.572 -2.207 5.619 1.00 63.21 O ATOM 1144 CB SER A 76 13.917 -0.420 7.881 1.00 3.50 C ATOM 1145 OG SER A 76 13.481 0.726 8.604 1.00 62.35 O ATOM 0 H SER A 76 11.477 -0.986 7.972 1.00 53.01 H new ATOM 0 HA SER A 76 13.229 0.155 5.925 1.00 2.22 H new ATOM 0 HB2 SER A 76 13.875 -1.298 8.525 1.00 3.50 H new ATOM 0 HB3 SER A 76 14.958 -0.293 7.584 1.00 3.50 H new ATOM 0 HG SER A 76 12.504 0.715 8.676 1.00 62.35 H new ATOM 1151 N ARG A 77 12.413 -2.820 5.776 1.00 22.54 N ATOM 1152 CA ARG A 77 12.606 -4.126 5.162 1.00 61.22 C ATOM 1153 C ARG A 77 11.771 -4.208 3.882 1.00 12.44 C ATOM 1154 O ARG A 77 10.942 -3.328 3.633 1.00 11.43 O ATOM 1155 CB ARG A 77 12.176 -5.241 6.130 1.00 61.24 C ATOM 1156 CG ARG A 77 12.703 -5.080 7.552 1.00 60.41 C ATOM 1157 CD ARG A 77 14.222 -5.145 7.618 1.00 32.53 C ATOM 1158 NE ARG A 77 14.750 -6.460 7.258 1.00 13.15 N ATOM 1159 CZ ARG A 77 15.344 -7.284 8.121 1.00 13.02 C ATOM 1160 NH1 ARG A 77 15.420 -6.960 9.408 1.00 34.25 N ATOM 1161 NH2 ARG A 77 15.846 -8.437 7.702 1.00 10.13 N ATOM 0 H ARG A 77 11.448 -2.624 6.043 1.00 22.54 H new ATOM 0 HA ARG A 77 13.662 -4.257 4.925 1.00 61.22 H new ATOM 0 HB2 ARG A 77 11.087 -5.278 6.161 1.00 61.24 H new ATOM 0 HB3 ARG A 77 12.516 -6.199 5.736 1.00 61.24 H new ATOM 0 HG2 ARG A 77 12.365 -4.126 7.956 1.00 60.41 H new ATOM 0 HG3 ARG A 77 12.281 -5.861 8.184 1.00 60.41 H new ATOM 0 HD2 ARG A 77 14.642 -4.394 6.949 1.00 32.53 H new ATOM 0 HD3 ARG A 77 14.548 -4.891 8.627 1.00 32.53 H new ATOM 0 HE ARG A 77 14.658 -6.765 6.289 1.00 13.15 H new ATOM 0 HH11 ARG A 77 15.023 -6.080 9.737 1.00 34.25 H new ATOM 0 HH12 ARG A 77 15.875 -7.592 10.067 1.00 34.25 H new ATOM 0 HH21 ARG A 77 15.778 -8.695 6.718 1.00 10.13 H new ATOM 0 HH22 ARG A 77 16.300 -9.066 8.364 1.00 10.13 H new ATOM 1175 N PRO A 78 11.977 -5.237 3.041 1.00 35.41 N ATOM 1176 CA PRO A 78 11.124 -5.467 1.873 1.00 3.24 C ATOM 1177 C PRO A 78 9.689 -5.755 2.295 1.00 23.53 C ATOM 1178 O PRO A 78 9.457 -6.384 3.329 1.00 74.13 O ATOM 1179 CB PRO A 78 11.739 -6.697 1.195 1.00 41.20 C ATOM 1180 CG PRO A 78 13.118 -6.805 1.753 1.00 4.11 C ATOM 1181 CD PRO A 78 13.050 -6.235 3.141 1.00 51.31 C ATOM 0 HA PRO A 78 11.081 -4.599 1.215 1.00 3.24 H new ATOM 0 HB2 PRO A 78 11.158 -7.595 1.406 1.00 41.20 H new ATOM 0 HB3 PRO A 78 11.761 -6.579 0.112 1.00 41.20 H new ATOM 0 HG2 PRO A 78 13.450 -7.843 1.774 1.00 4.11 H new ATOM 0 HG3 PRO A 78 13.831 -6.254 1.140 1.00 4.11 H new ATOM 0 HD2 PRO A 78 12.819 -7.002 3.880 1.00 51.31 H new ATOM 0 HD3 PRO A 78 13.996 -5.781 3.437 1.00 51.31 H new ATOM 1189 N LEU A 79 8.727 -5.311 1.495 1.00 23.34 N ATOM 1190 CA LEU A 79 7.316 -5.473 1.831 1.00 12.33 C ATOM 1191 C LEU A 79 6.957 -6.951 1.976 1.00 0.45 C ATOM 1192 O LEU A 79 6.038 -7.309 2.708 1.00 52.02 O ATOM 1193 CB LEU A 79 6.441 -4.824 0.758 1.00 62.02 C ATOM 1194 CG LEU A 79 4.967 -4.661 1.124 1.00 24.00 C ATOM 1195 CD1 LEU A 79 4.806 -3.671 2.267 1.00 75.53 C ATOM 1196 CD2 LEU A 79 4.171 -4.215 -0.090 1.00 11.11 C ATOM 0 H LEU A 79 8.897 -4.836 0.609 1.00 23.34 H new ATOM 0 HA LEU A 79 7.134 -4.980 2.786 1.00 12.33 H new ATOM 0 HB2 LEU A 79 6.851 -3.841 0.525 1.00 62.02 H new ATOM 0 HB3 LEU A 79 6.508 -5.421 -0.151 1.00 62.02 H new ATOM 0 HG LEU A 79 4.581 -5.625 1.455 1.00 24.00 H new ATOM 0 HD11 LEU A 79 3.749 -3.568 2.513 1.00 75.53 H new ATOM 0 HD12 LEU A 79 5.349 -4.032 3.140 1.00 75.53 H new ATOM 0 HD13 LEU A 79 5.205 -2.702 1.968 1.00 75.53 H new ATOM 0 HD21 LEU A 79 3.122 -4.102 0.184 1.00 11.11 H new ATOM 0 HD22 LEU A 79 4.557 -3.260 -0.448 1.00 11.11 H new ATOM 0 HD23 LEU A 79 4.262 -4.962 -0.879 1.00 11.11 H new ATOM 1208 N GLY A 80 7.709 -7.805 1.289 1.00 51.51 N ATOM 1209 CA GLY A 80 7.466 -9.234 1.354 1.00 73.41 C ATOM 1210 C GLY A 80 7.932 -9.853 2.657 1.00 45.33 C ATOM 1211 O GLY A 80 7.627 -11.010 2.939 1.00 34.12 O ATOM 0 H GLY A 80 8.485 -7.531 0.686 1.00 51.51 H new ATOM 0 HA2 GLY A 80 6.400 -9.422 1.229 1.00 73.41 H new ATOM 0 HA3 GLY A 80 7.975 -9.722 0.523 1.00 73.41 H new ATOM 1215 N PHE A 81 8.669 -9.089 3.452 1.00 70.25 N ATOM 1216 CA PHE A 81 9.142 -9.571 4.742 1.00 15.52 C ATOM 1217 C PHE A 81 7.983 -9.618 5.730 1.00 41.11 C ATOM 1218 O PHE A 81 7.874 -10.540 6.540 1.00 73.21 O ATOM 1219 CB PHE A 81 10.261 -8.666 5.268 1.00 73.15 C ATOM 1220 CG PHE A 81 10.965 -9.205 6.485 1.00 53.13 C ATOM 1221 CD1 PHE A 81 11.931 -10.190 6.358 1.00 72.42 C ATOM 1222 CD2 PHE A 81 10.665 -8.724 7.751 1.00 73.43 C ATOM 1223 CE1 PHE A 81 12.586 -10.685 7.469 1.00 62.05 C ATOM 1224 CE2 PHE A 81 11.318 -9.216 8.865 1.00 71.25 C ATOM 1225 CZ PHE A 81 12.278 -10.198 8.724 1.00 11.13 C ATOM 0 H PHE A 81 8.952 -8.135 3.227 1.00 70.25 H new ATOM 0 HA PHE A 81 9.543 -10.577 4.623 1.00 15.52 H new ATOM 0 HB2 PHE A 81 10.993 -8.513 4.475 1.00 73.15 H new ATOM 0 HB3 PHE A 81 9.842 -7.689 5.507 1.00 73.15 H new ATOM 0 HD1 PHE A 81 12.175 -10.575 5.379 1.00 72.42 H new ATOM 0 HD2 PHE A 81 9.913 -7.957 7.867 1.00 73.43 H new ATOM 0 HE1 PHE A 81 13.338 -11.452 7.356 1.00 62.05 H new ATOM 0 HE2 PHE A 81 11.077 -8.832 9.846 1.00 71.25 H new ATOM 0 HZ PHE A 81 12.788 -10.585 9.594 1.00 11.13 H new ATOM 1235 N PHE A 82 7.117 -8.616 5.651 1.00 44.14 N ATOM 1236 CA PHE A 82 5.908 -8.584 6.458 1.00 34.43 C ATOM 1237 C PHE A 82 4.774 -9.274 5.707 1.00 14.40 C ATOM 1238 O PHE A 82 3.990 -10.018 6.294 1.00 72.15 O ATOM 1239 CB PHE A 82 5.528 -7.138 6.794 1.00 70.31 C ATOM 1240 CG PHE A 82 4.331 -7.023 7.694 1.00 51.24 C ATOM 1241 CD1 PHE A 82 4.450 -7.252 9.055 1.00 50.15 C ATOM 1242 CD2 PHE A 82 3.088 -6.683 7.182 1.00 52.03 C ATOM 1243 CE1 PHE A 82 3.353 -7.144 9.889 1.00 0.52 C ATOM 1244 CE2 PHE A 82 1.988 -6.575 8.010 1.00 12.50 C ATOM 1245 CZ PHE A 82 2.121 -6.804 9.366 1.00 34.43 C ATOM 0 H PHE A 82 7.232 -7.813 5.033 1.00 44.14 H new ATOM 0 HA PHE A 82 6.089 -9.114 7.393 1.00 34.43 H new ATOM 0 HB2 PHE A 82 6.378 -6.649 7.270 1.00 70.31 H new ATOM 0 HB3 PHE A 82 5.328 -6.599 5.868 1.00 70.31 H new ATOM 0 HD1 PHE A 82 5.411 -7.518 9.469 1.00 50.15 H new ATOM 0 HD2 PHE A 82 2.979 -6.500 6.123 1.00 52.03 H new ATOM 0 HE1 PHE A 82 3.459 -7.325 10.948 1.00 0.52 H new ATOM 0 HE2 PHE A 82 1.025 -6.312 7.598 1.00 12.50 H new ATOM 0 HZ PHE A 82 1.263 -6.717 10.016 1.00 34.43 H new ATOM 1255 N SER A 83 4.714 -9.019 4.401 1.00 5.31 N ATOM 1256 CA SER A 83 3.737 -9.640 3.510 1.00 13.21 C ATOM 1257 C SER A 83 2.304 -9.240 3.870 1.00 51.43 C ATOM 1258 O SER A 83 1.589 -9.979 4.547 1.00 53.45 O ATOM 1259 CB SER A 83 3.892 -11.169 3.514 1.00 34.24 C ATOM 1260 OG SER A 83 3.028 -11.782 2.572 1.00 4.42 O ATOM 0 H SER A 83 5.346 -8.372 3.929 1.00 5.31 H new ATOM 0 HA SER A 83 3.935 -9.273 2.503 1.00 13.21 H new ATOM 0 HB2 SER A 83 4.925 -11.431 3.286 1.00 34.24 H new ATOM 0 HB3 SER A 83 3.678 -11.555 4.511 1.00 34.24 H new ATOM 0 HG SER A 83 3.152 -12.754 2.598 1.00 4.42 H new ATOM 1266 N PRO A 84 1.874 -8.043 3.439 1.00 40.12 N ATOM 1267 CA PRO A 84 0.497 -7.589 3.605 1.00 61.31 C ATOM 1268 C PRO A 84 -0.425 -8.253 2.590 1.00 53.52 C ATOM 1269 O PRO A 84 -0.133 -8.274 1.395 1.00 54.44 O ATOM 1270 CB PRO A 84 0.568 -6.074 3.357 1.00 33.13 C ATOM 1271 CG PRO A 84 2.020 -5.755 3.195 1.00 34.05 C ATOM 1272 CD PRO A 84 2.685 -7.029 2.765 1.00 0.45 C ATOM 0 HA PRO A 84 0.096 -7.838 4.587 1.00 61.31 H new ATOM 0 HB2 PRO A 84 0.005 -5.797 2.466 1.00 33.13 H new ATOM 0 HB3 PRO A 84 0.137 -5.521 4.191 1.00 33.13 H new ATOM 0 HG2 PRO A 84 2.165 -4.971 2.452 1.00 34.05 H new ATOM 0 HG3 PRO A 84 2.445 -5.391 4.130 1.00 34.05 H new ATOM 0 HD2 PRO A 84 2.671 -7.150 1.682 1.00 0.45 H new ATOM 0 HD3 PRO A 84 3.729 -7.069 3.077 1.00 0.45 H new ATOM 1280 N PHE A 85 -1.529 -8.791 3.067 1.00 25.14 N ATOM 1281 CA PHE A 85 -2.430 -9.549 2.217 1.00 13.43 C ATOM 1282 C PHE A 85 -3.560 -8.673 1.676 1.00 41.34 C ATOM 1283 O PHE A 85 -3.581 -7.460 1.888 1.00 72.13 O ATOM 1284 CB PHE A 85 -2.993 -10.745 2.988 1.00 61.54 C ATOM 1285 CG PHE A 85 -1.928 -11.675 3.505 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -1.251 -12.524 2.644 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -1.602 -11.697 4.853 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -0.270 -13.374 3.115 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -0.622 -12.547 5.330 1.00 34.11 C ATOM 1290 CZ PHE A 85 0.046 -13.385 4.460 1.00 11.55 C ATOM 0 H PHE A 85 -1.826 -8.718 4.040 1.00 25.14 H new ATOM 0 HA PHE A 85 -1.863 -9.914 1.361 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -3.586 -10.381 3.827 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -3.668 -11.302 2.338 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -1.494 -12.521 1.592 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -2.120 -11.042 5.538 1.00 33.11 H new ATOM 0 HE1 PHE A 85 0.250 -14.030 2.432 1.00 44.23 H new ATOM 0 HE2 PHE A 85 -0.379 -12.555 6.382 1.00 34.11 H new ATOM 0 HZ PHE A 85 0.814 -14.048 4.830 1.00 11.55 H new ATOM 1300 N ASP A 86 -4.507 -9.314 0.999 1.00 3.42 N ATOM 1301 CA ASP A 86 -5.578 -8.623 0.276 1.00 2.42 C ATOM 1302 C ASP A 86 -6.587 -7.965 1.213 1.00 25.34 C ATOM 1303 O ASP A 86 -7.430 -7.181 0.773 1.00 61.15 O ATOM 1304 CB ASP A 86 -6.310 -9.611 -0.635 1.00 3.13 C ATOM 1305 CG ASP A 86 -7.065 -10.674 0.142 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -6.415 -11.572 0.724 1.00 24.41 O ATOM 1307 OD2 ASP A 86 -8.313 -10.614 0.183 1.00 54.14 O ATOM 0 H ASP A 86 -4.557 -10.331 0.934 1.00 3.42 H new ATOM 0 HA ASP A 86 -5.108 -7.835 -0.312 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -7.009 -9.065 -1.269 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -5.589 -10.093 -1.296 1.00 3.13 H new ATOM 1312 N GLY A 87 -6.508 -8.285 2.494 1.00 10.11 N ATOM 1313 CA GLY A 87 -7.442 -7.733 3.452 1.00 45.22 C ATOM 1314 C GLY A 87 -6.977 -6.411 4.026 1.00 1.13 C ATOM 1315 O GLY A 87 -7.691 -5.788 4.811 1.00 41.14 O ATOM 0 H GLY A 87 -5.813 -8.918 2.889 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -8.410 -7.595 2.971 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -7.588 -8.446 4.264 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.795 -5.972 3.623 1.00 31.33 N ATOM 1320 CA PHE A 88 -5.214 -4.757 4.171 1.00 11.53 C ATOM 1321 C PHE A 88 -5.422 -3.563 3.241 1.00 54.51 C ATOM 1322 O PHE A 88 -5.436 -3.701 2.015 1.00 73.14 O ATOM 1323 CB PHE A 88 -3.722 -4.961 4.446 1.00 10.12 C ATOM 1324 CG PHE A 88 -3.444 -5.958 5.537 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -3.314 -7.306 5.247 1.00 50.42 C ATOM 1326 CD2 PHE A 88 -3.316 -5.546 6.853 1.00 74.22 C ATOM 1327 CE1 PHE A 88 -3.059 -8.224 6.248 1.00 42.11 C ATOM 1328 CE2 PHE A 88 -3.063 -6.459 7.858 1.00 1.21 C ATOM 1329 CZ PHE A 88 -2.934 -7.799 7.555 1.00 40.42 C ATOM 0 H PHE A 88 -5.221 -6.438 2.920 1.00 31.33 H new ATOM 0 HA PHE A 88 -5.725 -4.539 5.109 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -3.234 -5.292 3.529 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -3.276 -4.004 4.717 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -3.413 -7.644 4.226 1.00 50.42 H new ATOM 0 HD2 PHE A 88 -3.415 -4.498 7.096 1.00 74.22 H new ATOM 0 HE1 PHE A 88 -2.958 -9.272 6.008 1.00 42.11 H new ATOM 0 HE2 PHE A 88 -2.966 -6.124 8.880 1.00 1.21 H new ATOM 0 HZ PHE A 88 -2.735 -8.514 8.340 1.00 40.42 H new ATOM 1339 N ARG A 89 -5.599 -2.392 3.837 1.00 4.44 N ATOM 1340 CA ARG A 89 -5.773 -1.158 3.083 1.00 44.43 C ATOM 1341 C ARG A 89 -4.792 -0.101 3.580 1.00 21.14 C ATOM 1342 O ARG A 89 -4.478 -0.052 4.768 1.00 22.23 O ATOM 1343 CB ARG A 89 -7.212 -0.641 3.221 1.00 74.43 C ATOM 1344 CG ARG A 89 -8.268 -1.601 2.689 1.00 72.44 C ATOM 1345 CD ARG A 89 -9.672 -1.041 2.867 1.00 22.34 C ATOM 1346 NE ARG A 89 -10.703 -1.963 2.390 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.883 -2.133 2.985 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -12.204 -1.408 4.049 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.749 -3.012 2.497 1.00 73.23 N ATOM 0 H ARG A 89 -5.626 -2.270 4.849 1.00 4.44 H new ATOM 0 HA ARG A 89 -5.576 -1.364 2.031 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -7.416 -0.439 4.273 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -7.299 0.308 2.692 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -8.084 -1.796 1.632 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.188 -2.556 3.208 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -9.843 -0.823 3.921 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -9.755 -0.097 2.329 1.00 22.34 H new ATOM 0 HE ARG A 89 -10.507 -2.509 1.551 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -11.547 -0.718 4.413 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -13.108 -1.540 4.502 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -12.511 -3.556 1.668 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -13.653 -3.144 2.951 1.00 73.23 H new ATOM 1363 N LEU A 90 -4.314 0.741 2.678 1.00 25.41 N ATOM 1364 CA LEU A 90 -3.369 1.789 3.033 1.00 60.42 C ATOM 1365 C LEU A 90 -4.087 3.121 3.157 1.00 63.10 C ATOM 1366 O LEU A 90 -4.486 3.716 2.156 1.00 34.44 O ATOM 1367 CB LEU A 90 -2.262 1.901 1.982 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.351 0.682 1.855 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -0.299 0.925 0.790 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.696 0.362 3.190 1.00 71.34 C ATOM 0 H LEU A 90 -4.566 0.719 1.690 1.00 25.41 H new ATOM 0 HA LEU A 90 -2.919 1.529 3.991 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -2.723 2.091 1.013 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -1.647 2.769 2.218 1.00 11.35 H new ATOM 0 HG LEU A 90 -1.956 -0.175 1.559 1.00 1.33 H new ATOM 0 HD11 LEU A 90 0.345 0.049 0.708 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -0.786 1.108 -0.168 1.00 62.23 H new ATOM 0 HD13 LEU A 90 0.302 1.793 1.063 1.00 62.23 H new ATOM 0 HD21 LEU A 90 -0.051 -0.510 3.079 1.00 71.34 H new ATOM 0 HD22 LEU A 90 -0.101 1.215 3.517 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -1.466 0.151 3.932 1.00 71.34 H new ATOM 1382 N HIS A 91 -4.269 3.580 4.382 1.00 42.35 N ATOM 1383 CA HIS A 91 -4.949 4.840 4.622 1.00 54.41 C ATOM 1384 C HIS A 91 -3.935 5.972 4.755 1.00 51.41 C ATOM 1385 O HIS A 91 -3.248 6.091 5.766 1.00 44.02 O ATOM 1386 CB HIS A 91 -5.815 4.744 5.882 1.00 23.42 C ATOM 1387 CG HIS A 91 -6.781 5.881 6.046 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -7.136 6.402 7.271 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -7.495 6.573 5.127 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -8.028 7.360 7.097 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -8.265 7.484 5.806 1.00 31.53 N ATOM 0 H HIS A 91 -3.956 3.100 5.226 1.00 42.35 H new ATOM 0 HA HIS A 91 -5.597 5.055 3.772 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.372 3.808 5.857 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -5.164 4.704 6.756 1.00 23.42 H new ATOM 0 HD1 HIS A 91 -6.767 6.096 8.171 1.00 1.22 H new ATOM 0 HD2 HIS A 91 -7.464 6.434 4.056 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -8.487 7.944 7.881 1.00 43.11 H new ATOM 1400 N ILE A 92 -3.844 6.785 3.715 1.00 43.23 N ATOM 1401 CA ILE A 92 -2.932 7.916 3.696 1.00 74.31 C ATOM 1402 C ILE A 92 -3.519 9.079 4.488 1.00 2.34 C ATOM 1403 O ILE A 92 -4.496 9.699 4.063 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.641 8.365 2.244 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -2.036 7.205 1.445 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.717 9.574 2.225 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -1.818 7.522 -0.018 1.00 74.41 C ATOM 0 H ILE A 92 -4.397 6.680 2.865 1.00 43.23 H new ATOM 0 HA ILE A 92 -1.995 7.604 4.157 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.581 8.657 1.776 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -1.082 6.925 1.893 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -2.692 6.339 1.526 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.527 9.871 1.193 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -2.187 10.400 2.759 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.774 9.319 2.708 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.388 6.654 -0.518 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -2.772 7.772 -0.482 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -1.137 8.368 -0.109 1.00 74.41 H new ATOM 1419 N ILE A 93 -2.939 9.351 5.650 1.00 30.25 N ATOM 1420 CA ILE A 93 -3.416 10.423 6.516 1.00 61.44 C ATOM 1421 C ILE A 93 -2.875 11.770 6.064 1.00 43.43 C ATOM 1422 O ILE A 93 -1.663 11.957 5.938 1.00 4.40 O ATOM 1423 CB ILE A 93 -3.024 10.180 7.994 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -3.774 8.969 8.552 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -3.303 11.416 8.848 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -5.281 9.131 8.542 1.00 13.41 C ATOM 0 H ILE A 93 -2.134 8.842 6.016 1.00 30.25 H new ATOM 0 HA ILE A 93 -4.503 10.430 6.442 1.00 61.44 H new ATOM 0 HB ILE A 93 -1.953 9.979 8.030 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -3.508 8.087 7.969 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -3.443 8.787 9.575 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -3.018 11.216 9.881 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -2.725 12.259 8.468 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -4.365 11.656 8.805 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -5.746 8.234 8.952 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -5.558 9.993 9.149 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -5.624 9.282 7.518 1.00 13.41 H new ATOM 1438 N ASP A 94 -3.781 12.699 5.822 1.00 54.11 N ATOM 1439 CA ASP A 94 -3.406 14.049 5.443 1.00 23.43 C ATOM 1440 C ASP A 94 -3.326 14.924 6.678 1.00 11.31 C ATOM 1441 O ASP A 94 -4.305 15.053 7.415 1.00 65.52 O ATOM 1442 CB ASP A 94 -4.420 14.649 4.469 1.00 74.20 C ATOM 1443 CG ASP A 94 -4.564 13.852 3.193 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -3.614 13.845 2.380 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -5.637 13.231 2.988 1.00 74.32 O ATOM 0 H ASP A 94 -4.787 12.542 5.882 1.00 54.11 H new ATOM 0 HA ASP A 94 -2.434 14.005 4.952 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -5.391 14.715 4.960 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -4.118 15.667 4.222 1.00 74.20 H new ATOM 1450 N LEU A 95 -2.163 15.499 6.918 1.00 15.42 N ATOM 1451 CA LEU A 95 -1.991 16.432 8.013 1.00 24.34 C ATOM 1452 C LEU A 95 -1.997 17.859 7.469 1.00 35.53 C ATOM 1453 O LEU A 95 -2.531 18.110 6.385 1.00 25.43 O ATOM 1454 CB LEU A 95 -0.690 16.130 8.764 1.00 72.00 C ATOM 1455 CG LEU A 95 -0.631 14.753 9.434 1.00 64.20 C ATOM 1456 CD1 LEU A 95 0.708 14.548 10.125 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -1.772 14.598 10.428 1.00 15.32 C ATOM 0 H LEU A 95 -1.321 15.335 6.367 1.00 15.42 H new ATOM 0 HA LEU A 95 -2.815 16.326 8.718 1.00 24.34 H new ATOM 0 HB2 LEU A 95 0.142 16.213 8.065 1.00 72.00 H new ATOM 0 HB3 LEU A 95 -0.543 16.895 9.527 1.00 72.00 H new ATOM 0 HG LEU A 95 -0.737 13.991 8.662 1.00 64.20 H new ATOM 0 HD11 LEU A 95 0.729 13.564 10.594 1.00 4.42 H new ATOM 0 HD12 LEU A 95 1.511 14.617 9.391 1.00 4.42 H new ATOM 0 HD13 LEU A 95 0.846 15.316 10.886 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -1.716 13.615 10.895 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -1.694 15.369 11.194 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -2.724 14.699 9.907 1.00 15.32 H new ATOM 1469 N ASP A 96 -1.412 18.792 8.202 1.00 53.53 N ATOM 1470 CA ASP A 96 -1.410 20.184 7.781 1.00 72.41 C ATOM 1471 C ASP A 96 -0.104 20.520 7.076 1.00 64.25 C ATOM 1472 O ASP A 96 0.970 20.427 7.673 1.00 64.22 O ATOM 1473 CB ASP A 96 -1.617 21.110 8.980 1.00 32.23 C ATOM 1474 CG ASP A 96 -1.865 22.544 8.558 1.00 32.24 C ATOM 1475 OD1 ASP A 96 -3.017 22.870 8.210 1.00 24.13 O ATOM 1476 OD2 ASP A 96 -0.917 23.356 8.591 1.00 30.34 O ATOM 0 H ASP A 96 -0.935 18.613 9.086 1.00 53.53 H new ATOM 0 HA ASP A 96 -2.234 20.333 7.084 1.00 72.41 H new ATOM 0 HB2 ASP A 96 -2.462 20.755 9.570 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -0.739 21.069 9.625 1.00 32.23 H new ATOM 1481 N PRO A 97 -0.181 20.884 5.788 1.00 72.52 N ATOM 1482 CA PRO A 97 0.993 21.218 4.979 1.00 65.44 C ATOM 1483 C PRO A 97 1.681 22.490 5.464 1.00 62.20 C ATOM 1484 O PRO A 97 1.195 23.591 5.140 1.00 37.47 O ATOM 1485 CB PRO A 97 0.426 21.419 3.566 1.00 10.14 C ATOM 1486 CG PRO A 97 -0.944 20.831 3.601 1.00 13.31 C ATOM 1487 CD PRO A 97 -1.423 20.996 5.012 1.00 73.52 C ATOM 1488 OXT PRO A 97 2.708 22.388 6.163 1.00 37.47 O ATOM 0 HA PRO A 97 1.754 20.439 5.031 1.00 65.44 H new ATOM 0 HB2 PRO A 97 0.393 22.476 3.303 1.00 10.14 H new ATOM 0 HB3 PRO A 97 1.047 20.924 2.819 1.00 10.14 H new ATOM 0 HG2 PRO A 97 -1.606 21.341 2.901 1.00 13.31 H new ATOM 0 HG3 PRO A 97 -0.926 19.779 3.315 1.00 13.31 H new ATOM 0 HD2 PRO A 97 -1.911 21.959 5.164 1.00 73.52 H new ATOM 0 HD3 PRO A 97 -2.144 20.226 5.288 1.00 73.52 H new TER 1496 PRO A 97