USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 529 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 26 CYS SG : rot 56:sc= -0.28 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 58 MET CE :methyl -129:sc= -0.0933 (180deg=-0.593) USER MOD Set 2.1: A 4 THR OG1 : rot 0:sc= 0.706 USER MOD Set 2.2: A 6 LYS NZ :NH3+ -167:sc= -0.0479 (180deg=-0.258) USER MOD Single : A 1 MET CE :methyl 127:sc= -0.133 (180deg=-0.661) USER MOD Single : A 1 MET N :NH3+ 130:sc= 1.43 (180deg=0.222) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 128:sc= -0.0298 (180deg=-0.307) USER MOD Single : A 8 GLN : amide:sc=-0.00552 X(o=-0.0055,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.12) USER MOD Single : A 12 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.24) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 29:sc= 0.0753 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0825 (180deg=-0.513) USER MOD Single : A 23 CYS SG : rot -1:sc= 0.141 USER MOD Single : A 24 CYS SG : rot 166:sc= -1.36 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0202 (180deg=-0.197) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0568 (180deg=-0.292) USER MOD Single : A 35 THR OG1 : rot 83:sc= 0.802 USER MOD Single : A 36 CYS SG : rot 145:sc= -0.453 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.212 F(o=-3.2!,f=-0.21) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0439 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -66:sc= 0.179 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= -1.27 (180deg=-1.33) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= -0.0262 (180deg=-0.185) USER MOD Single : A 57 CYS SG : rot 160:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ 134:sc= -0.0893 (180deg=-0.437) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.315 27.744 -4.752 1.00 0.00 N ATOM 2 CA MET A 1 21.245 27.191 -5.770 1.00 0.00 C ATOM 3 C MET A 1 21.340 28.115 -6.980 1.00 0.00 C ATOM 4 O MET A 1 20.756 29.199 -6.994 1.00 0.00 O ATOM 5 CB MET A 1 20.783 25.800 -6.216 1.00 0.00 C ATOM 6 CG MET A 1 20.767 24.768 -5.099 1.00 0.00 C ATOM 7 SD MET A 1 19.346 24.945 -4.002 1.00 0.00 S ATOM 8 CE MET A 1 18.012 24.463 -5.097 1.00 0.00 C ATOM 0 H1 MET A 1 19.635 27.010 -4.468 1.00 0.00 H new ATOM 0 H2 MET A 1 20.856 28.056 -3.920 1.00 0.00 H new ATOM 0 H3 MET A 1 19.802 28.554 -5.154 1.00 0.00 H new ATOM 0 HA MET A 1 22.232 27.111 -5.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.781 25.879 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.438 25.448 -7.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.762 23.769 -5.534 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.684 24.857 -4.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.420 23.678 -4.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.377 25.326 -5.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.427 24.091 -6.034 1.00 0.00 H new ATOM 20 N THR A 2 22.081 27.677 -7.993 1.00 0.00 N ATOM 21 CA THR A 2 22.254 28.461 -9.211 1.00 0.00 C ATOM 22 C THR A 2 22.102 27.584 -10.449 1.00 0.00 C ATOM 23 O THR A 2 21.769 28.069 -11.530 1.00 0.00 O ATOM 24 CB THR A 2 23.632 29.149 -9.246 1.00 0.00 C ATOM 25 OG1 THR A 2 23.777 29.896 -10.459 1.00 0.00 O ATOM 26 CG2 THR A 2 24.753 28.127 -9.138 1.00 0.00 C ATOM 0 H THR A 2 22.572 26.783 -7.994 1.00 0.00 H new ATOM 0 HA THR A 2 21.477 29.226 -9.211 1.00 0.00 H new ATOM 0 HB THR A 2 23.695 29.825 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 2 24.655 30.331 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 2 25.715 28.638 -9.165 1.00 0.00 H new ATOM 0 HG22 THR A 2 24.658 27.581 -8.199 1.00 0.00 H new ATOM 0 HG23 THR A 2 24.690 27.428 -9.972 1.00 0.00 H new ATOM 34 N GLU A 3 22.349 26.289 -10.279 1.00 0.00 N ATOM 35 CA GLU A 3 22.239 25.337 -11.378 1.00 0.00 C ATOM 36 C GLU A 3 21.994 23.928 -10.847 1.00 0.00 C ATOM 37 O GLU A 3 22.919 23.262 -10.382 1.00 0.00 O ATOM 38 CB GLU A 3 23.509 25.362 -12.232 1.00 0.00 C ATOM 39 CG GLU A 3 23.436 24.469 -13.462 1.00 0.00 C ATOM 40 CD GLU A 3 22.333 24.877 -14.419 1.00 0.00 C ATOM 41 OE1 GLU A 3 22.577 25.767 -15.262 1.00 0.00 O ATOM 42 OE2 GLU A 3 21.226 24.308 -14.326 1.00 0.00 O ATOM 0 H GLU A 3 22.627 25.875 -9.389 1.00 0.00 H new ATOM 0 HA GLU A 3 21.390 25.627 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 3 23.703 26.387 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.355 25.052 -11.619 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.393 24.498 -13.984 1.00 0.00 H new ATOM 0 HG3 GLU A 3 23.275 23.438 -13.148 1.00 0.00 H new ATOM 49 N THR A 4 20.737 23.489 -10.913 1.00 0.00 N ATOM 50 CA THR A 4 20.350 22.161 -10.440 1.00 0.00 C ATOM 51 C THR A 4 20.810 21.923 -9.004 1.00 0.00 C ATOM 52 O THR A 4 21.253 22.848 -8.321 1.00 0.00 O ATOM 53 CB THR A 4 20.917 21.047 -11.342 1.00 0.00 C ATOM 54 OG1 THR A 4 22.340 20.965 -11.196 1.00 0.00 O ATOM 55 CG2 THR A 4 20.569 21.302 -12.801 1.00 0.00 C ATOM 0 H THR A 4 19.966 24.038 -11.292 1.00 0.00 H new ATOM 0 HA THR A 4 19.261 22.126 -10.477 1.00 0.00 H new ATOM 0 HB THR A 4 20.468 20.103 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 4 22.641 21.634 -10.546 1.00 0.00 H new ATOM 0 HG21 THR A 4 20.980 20.503 -13.418 1.00 0.00 H new ATOM 0 HG22 THR A 4 19.486 21.330 -12.917 1.00 0.00 H new ATOM 0 HG23 THR A 4 20.992 22.256 -13.115 1.00 0.00 H new ATOM 63 N ASP A 5 20.696 20.680 -8.547 1.00 0.00 N ATOM 64 CA ASP A 5 21.100 20.322 -7.193 1.00 0.00 C ATOM 65 C ASP A 5 21.409 18.832 -7.093 1.00 0.00 C ATOM 66 O ASP A 5 20.504 17.997 -7.111 1.00 0.00 O ATOM 67 CB ASP A 5 20.004 20.697 -6.196 1.00 0.00 C ATOM 68 CG ASP A 5 20.379 20.357 -4.766 1.00 0.00 C ATOM 69 OD1 ASP A 5 21.060 21.180 -4.120 1.00 0.00 O ATOM 70 OD2 ASP A 5 19.992 19.268 -4.294 1.00 0.00 O ATOM 0 H ASP A 5 20.327 19.903 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 5 22.006 20.878 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 5 19.799 21.765 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 5 19.083 20.177 -6.460 1.00 0.00 H new ATOM 75 N LYS A 6 22.694 18.506 -6.989 1.00 0.00 N ATOM 76 CA LYS A 6 23.128 17.118 -6.888 1.00 0.00 C ATOM 77 C LYS A 6 22.606 16.476 -5.606 1.00 0.00 C ATOM 78 O LYS A 6 21.650 15.699 -5.635 1.00 0.00 O ATOM 79 CB LYS A 6 24.656 17.036 -6.925 1.00 0.00 C ATOM 80 CG LYS A 6 25.271 17.617 -8.190 1.00 0.00 C ATOM 81 CD LYS A 6 24.865 16.823 -9.421 1.00 0.00 C ATOM 82 CE LYS A 6 25.457 17.416 -10.691 1.00 0.00 C ATOM 83 NZ LYS A 6 25.004 18.816 -10.914 1.00 0.00 N ATOM 0 H LYS A 6 23.454 19.186 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 6 22.719 16.573 -7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.060 17.563 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.957 15.993 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.958 18.655 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.357 17.620 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.195 15.790 -9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.778 16.804 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.545 17.392 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.172 16.802 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.243 19.108 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.974 18.873 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.478 19.446 -10.236 1.00 0.00 H new ATOM 97 N LYS A 7 23.244 16.807 -4.486 1.00 0.00 N ATOM 98 CA LYS A 7 22.850 16.270 -3.187 1.00 0.00 C ATOM 99 C LYS A 7 22.897 14.742 -3.194 1.00 0.00 C ATOM 100 O LYS A 7 22.259 14.087 -2.370 1.00 0.00 O ATOM 101 CB LYS A 7 21.445 16.755 -2.822 1.00 0.00 C ATOM 102 CG LYS A 7 21.121 16.636 -1.341 1.00 0.00 C ATOM 103 CD LYS A 7 19.730 17.169 -1.033 1.00 0.00 C ATOM 104 CE LYS A 7 19.456 17.178 0.462 1.00 0.00 C ATOM 105 NZ LYS A 7 20.377 18.093 1.191 1.00 0.00 N ATOM 0 H LYS A 7 24.038 17.446 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 7 23.555 16.630 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.340 17.797 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 7 20.713 16.182 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.188 15.592 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 7 21.860 17.187 -0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.631 18.180 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.984 16.555 -1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.425 17.484 0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.561 16.167 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.823 18.741 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.018 17.535 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.934 18.643 0.506 1.00 0.00 H new ATOM 119 N GLN A 8 23.664 14.181 -4.124 1.00 0.00 N ATOM 120 CA GLN A 8 23.795 12.733 -4.238 1.00 0.00 C ATOM 121 C GLN A 8 24.870 12.202 -3.294 1.00 0.00 C ATOM 122 O GLN A 8 25.197 11.016 -3.319 1.00 0.00 O ATOM 123 CB GLN A 8 24.132 12.339 -5.678 1.00 0.00 C ATOM 124 CG GLN A 8 23.096 12.790 -6.696 1.00 0.00 C ATOM 125 CD GLN A 8 23.388 12.272 -8.092 1.00 0.00 C ATOM 126 OE1 GLN A 8 22.933 11.194 -8.474 1.00 0.00 O ATOM 127 NE2 GLN A 8 24.151 13.040 -8.863 1.00 0.00 N ATOM 0 H GLN A 8 24.204 14.708 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 8 22.839 12.289 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 8 25.099 12.765 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 8 24.235 11.255 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.110 12.446 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 8 23.062 13.879 -6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.507 13.927 -8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.380 12.743 -9.811 1.00 0.00 H new ATOM 136 N GLU A 9 25.413 13.085 -2.461 1.00 0.00 N ATOM 137 CA GLU A 9 26.452 12.701 -1.511 1.00 0.00 C ATOM 138 C GLU A 9 26.003 12.956 -0.076 1.00 0.00 C ATOM 139 O GLU A 9 26.812 12.925 0.851 1.00 0.00 O ATOM 140 CB GLU A 9 27.744 13.467 -1.799 1.00 0.00 C ATOM 141 CG GLU A 9 27.582 14.977 -1.749 1.00 0.00 C ATOM 142 CD GLU A 9 28.868 15.711 -2.074 1.00 0.00 C ATOM 143 OE1 GLU A 9 29.650 15.984 -1.139 1.00 0.00 O ATOM 144 OE2 GLU A 9 29.095 16.014 -3.265 1.00 0.00 O ATOM 0 H GLU A 9 25.151 14.070 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 9 26.637 11.633 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 9 28.503 13.168 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 9 28.113 13.182 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 9 26.807 15.279 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 9 27.242 15.270 -0.756 1.00 0.00 H new ATOM 151 N GLN A 10 24.709 13.202 0.098 1.00 0.00 N ATOM 152 CA GLN A 10 24.151 13.460 1.421 1.00 0.00 C ATOM 153 C GLN A 10 22.768 12.830 1.551 1.00 0.00 C ATOM 154 O GLN A 10 22.358 12.429 2.639 1.00 0.00 O ATOM 155 CB GLN A 10 24.068 14.966 1.680 1.00 0.00 C ATOM 156 CG GLN A 10 23.675 15.321 3.104 1.00 0.00 C ATOM 157 CD GLN A 10 24.663 14.799 4.130 1.00 0.00 C ATOM 158 OE1 GLN A 10 25.638 15.470 4.469 1.00 0.00 O ATOM 159 NE2 GLN A 10 24.413 13.595 4.631 1.00 0.00 N ATOM 0 H GLN A 10 24.027 13.228 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 10 24.810 13.011 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 10 25.034 15.418 1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.344 15.404 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.599 16.404 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.687 14.913 3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.593 13.074 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.041 13.191 5.326 1.00 0.00 H new ATOM 168 N GLU A 11 22.057 12.743 0.429 1.00 0.00 N ATOM 169 CA GLU A 11 20.720 12.160 0.411 1.00 0.00 C ATOM 170 C GLU A 11 20.777 10.673 0.742 1.00 0.00 C ATOM 171 O GLU A 11 21.416 9.893 0.036 1.00 0.00 O ATOM 172 CB GLU A 11 20.069 12.368 -0.959 1.00 0.00 C ATOM 173 CG GLU A 11 18.653 11.821 -1.051 1.00 0.00 C ATOM 174 CD GLU A 11 18.039 12.017 -2.424 1.00 0.00 C ATOM 175 OE1 GLU A 11 18.269 11.162 -3.304 1.00 0.00 O ATOM 176 OE2 GLU A 11 17.329 13.027 -2.617 1.00 0.00 O ATOM 0 H GLU A 11 22.386 13.069 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 11 20.118 12.661 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.053 13.434 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.684 11.889 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.662 10.758 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.029 12.312 -0.305 1.00 0.00 H new ATOM 183 N ASN A 12 20.102 10.287 1.819 1.00 0.00 N ATOM 184 CA ASN A 12 20.075 8.892 2.245 1.00 0.00 C ATOM 185 C ASN A 12 19.048 8.099 1.443 1.00 0.00 C ATOM 186 O ASN A 12 18.017 8.633 1.036 1.00 0.00 O ATOM 187 CB ASN A 12 19.759 8.799 3.740 1.00 0.00 C ATOM 188 CG ASN A 12 18.401 9.381 4.081 1.00 0.00 C ATOM 189 OD1 ASN A 12 18.283 10.561 4.411 1.00 0.00 O ATOM 190 ND2 ASN A 12 17.365 8.553 4.000 1.00 0.00 N ATOM 0 H ASN A 12 19.566 10.920 2.413 1.00 0.00 H new ATOM 0 HA ASN A 12 21.060 8.462 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 12 19.792 7.755 4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 12 20.529 9.325 4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.426 8.888 4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.509 7.582 3.722 1.00 0.00 H new ATOM 197 N HIS A 13 19.339 6.821 1.218 1.00 0.00 N ATOM 198 CA HIS A 13 18.442 5.953 0.463 1.00 0.00 C ATOM 199 C HIS A 13 17.483 5.218 1.393 1.00 0.00 C ATOM 200 O HIS A 13 17.845 4.858 2.514 1.00 0.00 O ATOM 201 CB HIS A 13 19.245 4.942 -0.357 1.00 0.00 C ATOM 202 CG HIS A 13 20.169 5.576 -1.349 1.00 0.00 C ATOM 203 ND1 HIS A 13 21.540 5.584 -1.204 1.00 0.00 N ATOM 204 CD2 HIS A 13 19.911 6.223 -2.511 1.00 0.00 C ATOM 205 CE1 HIS A 13 22.086 6.210 -2.233 1.00 0.00 C ATOM 206 NE2 HIS A 13 21.118 6.605 -3.040 1.00 0.00 N ATOM 0 H HIS A 13 20.189 6.364 1.548 1.00 0.00 H new ATOM 0 HA HIS A 13 17.859 6.579 -0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.826 4.317 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.554 4.284 -0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 13 18.937 6.404 -2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 13 23.143 6.371 -2.387 1.00 0.00 H new ATOM 0 HE2 HIS A 13 21.247 7.112 -3.915 1.00 0.00 H new ATOM 215 N ALA A 14 16.259 4.999 0.921 1.00 0.00 N ATOM 216 CA ALA A 14 15.250 4.306 1.713 1.00 0.00 C ATOM 217 C ALA A 14 14.137 3.746 0.831 1.00 0.00 C ATOM 218 O ALA A 14 13.889 2.540 0.822 1.00 0.00 O ATOM 219 CB ALA A 14 14.673 5.242 2.764 1.00 0.00 C ATOM 0 H ALA A 14 15.943 5.291 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 14 15.733 3.466 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 14 13.921 4.713 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.470 5.584 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.214 6.100 2.274 1.00 0.00 H new ATOM 225 N GLU A 15 13.472 4.628 0.092 1.00 0.00 N ATOM 226 CA GLU A 15 12.381 4.218 -0.789 1.00 0.00 C ATOM 227 C GLU A 15 12.791 4.317 -2.257 1.00 0.00 C ATOM 228 O GLU A 15 13.935 4.647 -2.572 1.00 0.00 O ATOM 229 CB GLU A 15 11.144 5.080 -0.533 1.00 0.00 C ATOM 230 CG GLU A 15 10.597 4.951 0.880 1.00 0.00 C ATOM 231 CD GLU A 15 9.365 5.805 1.109 1.00 0.00 C ATOM 232 OE1 GLU A 15 8.246 5.307 0.863 1.00 0.00 O ATOM 233 OE2 GLU A 15 9.520 6.969 1.534 1.00 0.00 O ATOM 0 H GLU A 15 13.668 5.629 0.084 1.00 0.00 H new ATOM 0 HA GLU A 15 12.145 3.177 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.392 6.124 -0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.364 4.803 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.353 3.907 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.371 5.237 1.593 1.00 0.00 H new ATOM 240 N CYS A 16 11.847 4.026 -3.149 1.00 0.00 N ATOM 241 CA CYS A 16 12.105 4.080 -4.585 1.00 0.00 C ATOM 242 C CYS A 16 12.093 5.520 -5.091 1.00 0.00 C ATOM 243 O CYS A 16 11.282 6.335 -4.653 1.00 0.00 O ATOM 244 CB CYS A 16 11.062 3.256 -5.341 1.00 0.00 C ATOM 245 SG CYS A 16 9.354 3.758 -5.021 1.00 0.00 S ATOM 0 H CYS A 16 10.896 3.750 -2.902 1.00 0.00 H new ATOM 0 HA CYS A 16 13.095 3.660 -4.765 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.258 3.334 -6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 16 11.178 2.206 -5.071 1.00 0.00 H new ATOM 0 HG CYS A 16 9.322 5.023 -4.722 1.00 0.00 H new ATOM 251 N GLU A 17 12.999 5.824 -6.016 1.00 0.00 N ATOM 252 CA GLU A 17 13.092 7.162 -6.586 1.00 0.00 C ATOM 253 C GLU A 17 13.211 7.100 -8.105 1.00 0.00 C ATOM 254 O GLU A 17 13.392 8.123 -8.767 1.00 0.00 O ATOM 255 CB GLU A 17 14.282 7.915 -5.993 1.00 0.00 C ATOM 256 CG GLU A 17 15.573 7.119 -6.014 1.00 0.00 C ATOM 257 CD GLU A 17 16.167 6.995 -7.403 1.00 0.00 C ATOM 258 OE1 GLU A 17 16.901 7.915 -7.819 1.00 0.00 O ATOM 259 OE2 GLU A 17 15.898 5.979 -8.076 1.00 0.00 O ATOM 0 H GLU A 17 13.679 5.160 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 17 12.177 7.699 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.427 8.843 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.051 8.191 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.299 7.596 -5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.386 6.122 -5.614 1.00 0.00 H new ATOM 266 N ASP A 18 13.113 5.891 -8.649 1.00 0.00 N ATOM 267 CA ASP A 18 13.205 5.689 -10.089 1.00 0.00 C ATOM 268 C ASP A 18 11.935 6.172 -10.780 1.00 0.00 C ATOM 269 O ASP A 18 11.968 6.605 -11.932 1.00 0.00 O ATOM 270 CB ASP A 18 13.439 4.211 -10.403 1.00 0.00 C ATOM 271 CG ASP A 18 12.313 3.332 -9.897 1.00 0.00 C ATOM 272 OD1 ASP A 18 12.364 2.921 -8.718 1.00 0.00 O ATOM 273 OD2 ASP A 18 11.378 3.055 -10.678 1.00 0.00 O ATOM 0 H ASP A 18 12.970 5.036 -8.112 1.00 0.00 H new ATOM 0 HA ASP A 18 14.049 6.269 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.542 4.082 -11.480 1.00 0.00 H new ATOM 0 HB3 ASP A 18 14.378 3.890 -9.953 1.00 0.00 H new ATOM 278 N LYS A 19 10.817 6.092 -10.065 1.00 0.00 N ATOM 279 CA LYS A 19 9.531 6.524 -10.597 1.00 0.00 C ATOM 280 C LYS A 19 8.938 7.641 -9.738 1.00 0.00 C ATOM 281 O LYS A 19 8.049 7.403 -8.920 1.00 0.00 O ATOM 282 CB LYS A 19 8.559 5.342 -10.678 1.00 0.00 C ATOM 283 CG LYS A 19 8.493 4.513 -9.404 1.00 0.00 C ATOM 284 CD LYS A 19 7.454 3.407 -9.513 1.00 0.00 C ATOM 285 CE LYS A 19 7.393 2.572 -8.245 1.00 0.00 C ATOM 286 NZ LYS A 19 6.365 1.499 -8.335 1.00 0.00 N ATOM 0 H LYS A 19 10.777 5.730 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 19 9.692 6.912 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.562 5.718 -10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.854 4.697 -11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.471 4.076 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.251 5.159 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.475 3.844 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.692 2.765 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.369 2.125 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.170 3.218 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.355 0.952 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.429 1.927 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.591 0.867 -9.130 1.00 0.00 H new ATOM 300 N PRO A 20 9.436 8.880 -9.904 1.00 0.00 N ATOM 301 CA PRO A 20 8.955 10.032 -9.139 1.00 0.00 C ATOM 302 C PRO A 20 7.621 10.557 -9.656 1.00 0.00 C ATOM 303 O PRO A 20 7.520 11.006 -10.798 1.00 0.00 O ATOM 304 CB PRO A 20 10.056 11.069 -9.348 1.00 0.00 C ATOM 305 CG PRO A 20 10.617 10.750 -10.691 1.00 0.00 C ATOM 306 CD PRO A 20 10.509 9.256 -10.848 1.00 0.00 C ATOM 0 HA PRO A 20 8.773 9.784 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.658 12.083 -9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.819 11.000 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.063 11.265 -11.476 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.655 11.075 -10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.257 8.978 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.448 8.759 -10.605 1.00 0.00 H new ATOM 314 N LYS A 21 6.599 10.496 -8.808 1.00 0.00 N ATOM 315 CA LYS A 21 5.269 10.969 -9.175 1.00 0.00 C ATOM 316 C LYS A 21 4.352 11.008 -7.953 1.00 0.00 C ATOM 317 O LYS A 21 3.453 10.177 -7.817 1.00 0.00 O ATOM 318 CB LYS A 21 4.664 10.072 -10.260 1.00 0.00 C ATOM 319 CG LYS A 21 3.375 10.619 -10.856 1.00 0.00 C ATOM 320 CD LYS A 21 2.800 9.683 -11.911 1.00 0.00 C ATOM 321 CE LYS A 21 3.685 9.614 -13.145 1.00 0.00 C ATOM 322 NZ LYS A 21 3.915 10.961 -13.738 1.00 0.00 N ATOM 0 H LYS A 21 6.667 10.123 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 21 5.364 11.981 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.395 9.938 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.469 9.086 -9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.642 10.768 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.566 11.596 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.686 8.685 -11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.805 10.024 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.642 9.165 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.223 8.964 -13.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.266 10.856 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.022 11.493 -13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.618 11.475 -13.170 1.00 0.00 H new ATOM 336 N PRO A 22 4.575 11.971 -7.038 1.00 0.00 N ATOM 337 CA PRO A 22 3.764 12.111 -5.829 1.00 0.00 C ATOM 338 C PRO A 22 2.454 12.849 -6.088 1.00 0.00 C ATOM 339 O PRO A 22 2.409 14.079 -6.073 1.00 0.00 O ATOM 340 CB PRO A 22 4.668 12.924 -4.904 1.00 0.00 C ATOM 341 CG PRO A 22 5.489 13.768 -5.821 1.00 0.00 C ATOM 342 CD PRO A 22 5.639 12.993 -7.108 1.00 0.00 C ATOM 0 HA PRO A 22 3.463 11.147 -5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.084 13.538 -4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.297 12.275 -4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.004 14.727 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.464 13.981 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.516 13.638 -7.978 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.626 12.537 -7.186 1.00 0.00 H new ATOM 350 N CYS A 23 1.392 12.089 -6.332 1.00 0.00 N ATOM 351 CA CYS A 23 0.079 12.668 -6.597 1.00 0.00 C ATOM 352 C CYS A 23 -1.030 11.764 -6.068 1.00 0.00 C ATOM 353 O CYS A 23 -1.964 11.422 -6.795 1.00 0.00 O ATOM 354 CB CYS A 23 -0.109 12.898 -8.098 1.00 0.00 C ATOM 355 SG CYS A 23 1.090 14.036 -8.829 1.00 0.00 S ATOM 0 H CYS A 23 1.414 11.069 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 23 0.022 13.626 -6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.043 11.939 -8.612 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.113 13.285 -8.272 1.00 0.00 H new ATOM 0 HG CYS A 23 1.900 14.464 -7.907 1.00 0.00 H new ATOM 361 N CYS A 24 -0.919 11.385 -4.797 1.00 0.00 N ATOM 362 CA CYS A 24 -1.907 10.518 -4.161 1.00 0.00 C ATOM 363 C CYS A 24 -1.985 9.172 -4.874 1.00 0.00 C ATOM 364 O CYS A 24 -2.572 9.063 -5.951 1.00 0.00 O ATOM 365 CB CYS A 24 -3.284 11.187 -4.154 1.00 0.00 C ATOM 366 SG CYS A 24 -3.307 12.820 -3.380 1.00 0.00 S ATOM 0 H CYS A 24 -0.152 11.666 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.593 10.348 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.637 11.279 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.988 10.539 -3.632 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.417 13.427 -3.680 1.00 0.00 H new ATOM 372 N VAL A 25 -1.390 8.149 -4.271 1.00 0.00 N ATOM 373 CA VAL A 25 -1.391 6.815 -4.860 1.00 0.00 C ATOM 374 C VAL A 25 -2.075 5.809 -3.943 1.00 0.00 C ATOM 375 O VAL A 25 -2.050 5.953 -2.721 1.00 0.00 O ATOM 376 CB VAL A 25 0.037 6.327 -5.162 1.00 0.00 C ATOM 377 CG1 VAL A 25 0.007 5.147 -6.121 1.00 0.00 C ATOM 378 CG2 VAL A 25 0.883 7.461 -5.723 1.00 0.00 C ATOM 0 H VAL A 25 -0.902 8.217 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.945 6.887 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 25 0.492 5.994 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.026 4.816 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.559 4.329 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.468 5.449 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.889 7.096 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.433 7.829 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.933 8.271 -4.996 1.00 0.00 H new ATOM 388 N CYS A 26 -2.680 4.789 -4.543 1.00 0.00 N ATOM 389 CA CYS A 26 -3.374 3.752 -3.786 1.00 0.00 C ATOM 390 C CYS A 26 -3.857 2.633 -4.705 1.00 0.00 C ATOM 391 O CYS A 26 -4.870 1.990 -4.431 1.00 0.00 O ATOM 392 CB CYS A 26 -4.562 4.352 -3.031 1.00 0.00 C ATOM 393 SG CYS A 26 -5.831 5.068 -4.101 1.00 0.00 S ATOM 0 H CYS A 26 -2.704 4.658 -5.554 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.669 3.330 -3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.017 3.576 -2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.196 5.123 -2.353 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.237 4.173 -4.952 1.00 0.00 H new ATOM 399 N LYS A 27 -3.126 2.401 -5.792 1.00 0.00 N ATOM 400 CA LYS A 27 -3.486 1.358 -6.747 1.00 0.00 C ATOM 401 C LYS A 27 -3.491 -0.027 -6.088 1.00 0.00 C ATOM 402 O LYS A 27 -4.449 -0.783 -6.250 1.00 0.00 O ATOM 403 CB LYS A 27 -2.535 1.374 -7.946 1.00 0.00 C ATOM 404 CG LYS A 27 -2.530 2.696 -8.695 1.00 0.00 C ATOM 405 CD LYS A 27 -1.548 2.679 -9.855 1.00 0.00 C ATOM 406 CE LYS A 27 -1.512 4.019 -10.569 1.00 0.00 C ATOM 407 NZ LYS A 27 -2.835 4.372 -11.153 1.00 0.00 N ATOM 0 H LYS A 27 -2.282 2.921 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.497 1.566 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.524 1.156 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.816 0.576 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.532 2.907 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.270 3.502 -8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.552 2.434 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.829 1.897 -10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.205 4.796 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.762 3.989 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.725 5.181 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.210 3.558 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.495 4.624 -10.390 1.00 0.00 H new ATOM 421 N PRO A 28 -2.427 -0.390 -5.337 1.00 0.00 N ATOM 422 CA PRO A 28 -2.352 -1.691 -4.665 1.00 0.00 C ATOM 423 C PRO A 28 -3.382 -1.812 -3.548 1.00 0.00 C ATOM 424 O PRO A 28 -3.979 -2.870 -3.348 1.00 0.00 O ATOM 425 CB PRO A 28 -0.929 -1.732 -4.084 1.00 0.00 C ATOM 426 CG PRO A 28 -0.194 -0.623 -4.756 1.00 0.00 C ATOM 427 CD PRO A 28 -1.223 0.417 -5.081 1.00 0.00 C ATOM 0 HA PRO A 28 -2.561 -2.512 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.942 -1.596 -3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.453 -2.693 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.579 -0.216 -4.104 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.303 -0.976 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.370 1.113 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.940 1.009 -5.951 1.00 0.00 H new ATOM 435 N GLU A 29 -3.583 -0.716 -2.823 1.00 0.00 N ATOM 436 CA GLU A 29 -4.535 -0.677 -1.727 1.00 0.00 C ATOM 437 C GLU A 29 -5.962 -0.865 -2.234 1.00 0.00 C ATOM 438 O GLU A 29 -6.780 -1.523 -1.590 1.00 0.00 O ATOM 439 CB GLU A 29 -4.410 0.659 -0.993 1.00 0.00 C ATOM 440 CG GLU A 29 -3.217 0.733 -0.054 1.00 0.00 C ATOM 441 CD GLU A 29 -1.891 0.594 -0.779 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.335 1.629 -1.203 1.00 0.00 O ATOM 443 OE2 GLU A 29 -1.410 -0.550 -0.921 1.00 0.00 O ATOM 0 H GLU A 29 -3.092 0.164 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.311 -1.494 -1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.333 1.461 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.322 0.836 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.237 1.684 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.301 -0.054 0.696 1.00 0.00 H new ATOM 450 N LYS A 30 -6.249 -0.288 -3.397 1.00 0.00 N ATOM 451 CA LYS A 30 -7.576 -0.387 -3.995 1.00 0.00 C ATOM 452 C LYS A 30 -7.827 -1.793 -4.528 1.00 0.00 C ATOM 453 O LYS A 30 -8.962 -2.269 -4.544 1.00 0.00 O ATOM 454 CB LYS A 30 -7.724 0.637 -5.125 1.00 0.00 C ATOM 455 CG LYS A 30 -9.088 0.617 -5.799 1.00 0.00 C ATOM 456 CD LYS A 30 -10.190 1.069 -4.854 1.00 0.00 C ATOM 457 CE LYS A 30 -11.546 1.068 -5.541 1.00 0.00 C ATOM 458 NZ LYS A 30 -11.564 1.959 -6.735 1.00 0.00 N ATOM 0 H LYS A 30 -5.580 0.253 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.315 -0.175 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.542 1.634 -4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.956 0.449 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.071 1.266 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.304 -0.391 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.220 0.410 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.968 2.071 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.800 0.052 -5.842 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.311 1.391 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.547 2.119 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.123 2.870 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.035 1.511 -7.510 1.00 0.00 H new ATOM 472 N GLU A 31 -6.758 -2.453 -4.964 1.00 0.00 N ATOM 473 CA GLU A 31 -6.858 -3.807 -5.497 1.00 0.00 C ATOM 474 C GLU A 31 -7.180 -4.804 -4.388 1.00 0.00 C ATOM 475 O GLU A 31 -8.086 -5.629 -4.523 1.00 0.00 O ATOM 476 CB GLU A 31 -5.552 -4.200 -6.191 1.00 0.00 C ATOM 477 CG GLU A 31 -5.579 -5.594 -6.797 1.00 0.00 C ATOM 478 CD GLU A 31 -4.274 -5.956 -7.482 1.00 0.00 C ATOM 479 OE1 GLU A 31 -3.365 -6.467 -6.794 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.162 -5.728 -8.705 1.00 0.00 O ATOM 0 H GLU A 31 -5.812 -2.071 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.669 -3.828 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.336 -3.476 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.736 -4.142 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.789 -6.323 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.394 -5.657 -7.518 1.00 0.00 H new ATOM 487 N GLU A 32 -6.433 -4.721 -3.292 1.00 0.00 N ATOM 488 CA GLU A 32 -6.634 -5.614 -2.158 1.00 0.00 C ATOM 489 C GLU A 32 -8.001 -5.393 -1.519 1.00 0.00 C ATOM 490 O GLU A 32 -8.714 -6.350 -1.217 1.00 0.00 O ATOM 491 CB GLU A 32 -5.535 -5.406 -1.114 1.00 0.00 C ATOM 492 CG GLU A 32 -4.139 -5.705 -1.632 1.00 0.00 C ATOM 493 CD GLU A 32 -3.069 -5.495 -0.578 1.00 0.00 C ATOM 494 OE1 GLU A 32 -2.760 -6.458 0.155 1.00 0.00 O ATOM 495 OE2 GLU A 32 -2.543 -4.366 -0.483 1.00 0.00 O ATOM 0 H GLU A 32 -5.682 -4.043 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.588 -6.638 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.570 -4.375 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.738 -6.043 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.099 -6.736 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.929 -5.066 -2.490 1.00 0.00 H new ATOM 502 N ARG A 33 -8.363 -4.128 -1.315 1.00 0.00 N ATOM 503 CA ARG A 33 -9.645 -3.792 -0.705 1.00 0.00 C ATOM 504 C ARG A 33 -10.805 -4.320 -1.546 1.00 0.00 C ATOM 505 O ARG A 33 -11.663 -5.046 -1.045 1.00 0.00 O ATOM 506 CB ARG A 33 -9.774 -2.278 -0.527 1.00 0.00 C ATOM 507 CG ARG A 33 -10.953 -1.869 0.342 1.00 0.00 C ATOM 508 CD ARG A 33 -11.139 -0.360 0.363 1.00 0.00 C ATOM 509 NE ARG A 33 -11.536 0.161 -0.941 1.00 0.00 N ATOM 510 CZ ARG A 33 -12.150 1.327 -1.117 1.00 0.00 C ATOM 511 NH1 ARG A 33 -12.433 2.098 -0.073 1.00 0.00 N ATOM 512 NH2 ARG A 33 -12.482 1.726 -2.337 1.00 0.00 N ATOM 0 H ARG A 33 -7.788 -3.323 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.685 -4.267 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.855 -1.892 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.876 -1.812 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.861 -2.343 -0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.799 -2.231 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.895 -0.098 1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.209 0.115 0.675 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.330 -0.403 -1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.179 1.796 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.904 2.992 -0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.266 1.138 -3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.953 2.621 -2.470 1.00 0.00 H new ATOM 526 N ASP A 34 -10.820 -3.952 -2.825 1.00 0.00 N ATOM 527 CA ASP A 34 -11.876 -4.385 -3.737 1.00 0.00 C ATOM 528 C ASP A 34 -12.037 -5.904 -3.713 1.00 0.00 C ATOM 529 O ASP A 34 -13.122 -6.416 -3.438 1.00 0.00 O ATOM 530 CB ASP A 34 -11.571 -3.914 -5.159 1.00 0.00 C ATOM 531 CG ASP A 34 -12.655 -4.308 -6.142 1.00 0.00 C ATOM 532 OD1 ASP A 34 -13.610 -3.523 -6.317 1.00 0.00 O ATOM 533 OD2 ASP A 34 -12.550 -5.401 -6.738 1.00 0.00 O ATOM 0 H ASP A 34 -10.113 -3.355 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.813 -3.938 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.457 -2.830 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.620 -4.336 -5.483 1.00 0.00 H new ATOM 538 N THR A 35 -10.949 -6.614 -4.001 1.00 0.00 N ATOM 539 CA THR A 35 -10.965 -8.074 -4.012 1.00 0.00 C ATOM 540 C THR A 35 -11.564 -8.628 -2.722 1.00 0.00 C ATOM 541 O THR A 35 -12.362 -9.566 -2.747 1.00 0.00 O ATOM 542 CB THR A 35 -9.545 -8.646 -4.190 1.00 0.00 C ATOM 543 OG1 THR A 35 -8.982 -8.188 -5.424 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.561 -10.168 -4.168 1.00 0.00 C ATOM 0 H THR A 35 -10.045 -6.201 -4.230 1.00 0.00 H new ATOM 0 HA THR A 35 -11.583 -8.378 -4.856 1.00 0.00 H new ATOM 0 HB THR A 35 -8.933 -8.295 -3.359 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.599 -7.295 -5.297 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.546 -10.544 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.959 -10.514 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.189 -10.537 -4.979 1.00 0.00 H new ATOM 552 N CYS A 36 -11.171 -8.036 -1.600 1.00 0.00 N ATOM 553 CA CYS A 36 -11.660 -8.462 -0.295 1.00 0.00 C ATOM 554 C CYS A 36 -13.184 -8.404 -0.236 1.00 0.00 C ATOM 555 O CYS A 36 -13.838 -9.392 0.100 1.00 0.00 O ATOM 556 CB CYS A 36 -11.061 -7.581 0.803 1.00 0.00 C ATOM 557 SG CYS A 36 -11.512 -8.084 2.479 1.00 0.00 S ATOM 0 H CYS A 36 -10.513 -7.257 -1.569 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.351 -9.495 -0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.975 -7.593 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.383 -6.552 0.645 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.511 -7.871 3.280 1.00 0.00 H new ATOM 563 N ILE A 37 -13.742 -7.242 -0.565 1.00 0.00 N ATOM 564 CA ILE A 37 -15.189 -7.052 -0.554 1.00 0.00 C ATOM 565 C ILE A 37 -15.885 -8.099 -1.422 1.00 0.00 C ATOM 566 O ILE A 37 -16.919 -8.647 -1.039 1.00 0.00 O ATOM 567 CB ILE A 37 -15.572 -5.632 -1.039 1.00 0.00 C ATOM 568 CG1 ILE A 37 -15.461 -4.624 0.110 1.00 0.00 C ATOM 569 CG2 ILE A 37 -16.980 -5.612 -1.622 1.00 0.00 C ATOM 570 CD1 ILE A 37 -14.051 -4.431 0.626 1.00 0.00 C ATOM 0 H ILE A 37 -13.212 -6.416 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.524 -7.170 0.477 1.00 0.00 H new ATOM 0 HB ILE A 37 -14.873 -5.347 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -15.849 -3.662 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -16.096 -4.955 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.222 -4.602 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.033 -6.295 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.694 -5.924 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.057 -3.703 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.665 -5.382 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.414 -4.069 -0.181 1.00 0.00 H new ATOM 582 N LEU A 38 -15.312 -8.373 -2.590 1.00 0.00 N ATOM 583 CA LEU A 38 -15.878 -9.359 -3.502 1.00 0.00 C ATOM 584 C LEU A 38 -15.837 -10.755 -2.890 1.00 0.00 C ATOM 585 O LEU A 38 -16.704 -11.588 -3.160 1.00 0.00 O ATOM 586 CB LEU A 38 -15.119 -9.354 -4.834 1.00 0.00 C ATOM 587 CG LEU A 38 -15.632 -8.361 -5.884 1.00 0.00 C ATOM 588 CD1 LEU A 38 -17.069 -8.677 -6.268 1.00 0.00 C ATOM 589 CD2 LEU A 38 -15.517 -6.931 -5.379 1.00 0.00 C ATOM 0 H LEU A 38 -14.458 -7.927 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.919 -9.090 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.070 -9.134 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.159 -10.357 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.010 -8.460 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.412 -7.960 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.122 -9.684 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.704 -8.613 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.887 -6.245 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.109 -6.817 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.473 -6.704 -5.163 1.00 0.00 H new ATOM 601 N PHE A 39 -14.826 -11.006 -2.062 1.00 0.00 N ATOM 602 CA PHE A 39 -14.674 -12.303 -1.414 1.00 0.00 C ATOM 603 C PHE A 39 -15.694 -12.494 -0.296 1.00 0.00 C ATOM 604 O PHE A 39 -16.623 -13.293 -0.424 1.00 0.00 O ATOM 605 CB PHE A 39 -13.257 -12.459 -0.861 1.00 0.00 C ATOM 606 CG PHE A 39 -12.380 -13.340 -1.705 1.00 0.00 C ATOM 607 CD1 PHE A 39 -12.338 -14.708 -1.486 1.00 0.00 C ATOM 608 CD2 PHE A 39 -11.600 -12.802 -2.714 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.533 -15.522 -2.259 1.00 0.00 C ATOM 610 CE2 PHE A 39 -10.793 -13.611 -3.490 1.00 0.00 C ATOM 611 CZ PHE A 39 -10.760 -14.973 -3.263 1.00 0.00 C ATOM 0 H PHE A 39 -14.101 -10.328 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.852 -13.071 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.797 -11.474 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.312 -12.872 0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.941 -15.142 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.623 -11.738 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.508 -16.586 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.188 -13.179 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.131 -15.607 -3.870 1.00 0.00 H new ATOM 621 N ASN A 40 -15.520 -11.760 0.801 1.00 0.00 N ATOM 622 CA ASN A 40 -16.431 -11.864 1.938 1.00 0.00 C ATOM 623 C ASN A 40 -16.514 -10.550 2.710 1.00 0.00 C ATOM 624 O ASN A 40 -17.187 -10.467 3.738 1.00 0.00 O ATOM 625 CB ASN A 40 -15.986 -12.994 2.871 1.00 0.00 C ATOM 626 CG ASN A 40 -14.483 -13.016 3.094 1.00 0.00 C ATOM 627 OD1 ASN A 40 -13.860 -11.843 3.090 1.00 0.00 O flip ATOM 628 ND2 ASN A 40 -13.889 -14.080 3.272 1.00 0.00 N flip ATOM 0 H ASN A 40 -14.761 -11.090 0.926 1.00 0.00 H new ATOM 0 HA ASN A 40 -17.424 -12.088 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -16.490 -12.886 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -16.301 -13.950 2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.406 -14.959 3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.880 -14.082 3.424 1.00 0.00 H new ATOM 635 N GLY A 41 -15.833 -9.527 2.208 1.00 0.00 N ATOM 636 CA GLY A 41 -15.846 -8.233 2.867 1.00 0.00 C ATOM 637 C GLY A 41 -17.100 -7.437 2.556 1.00 0.00 C ATOM 638 O GLY A 41 -17.128 -6.218 2.728 1.00 0.00 O ATOM 0 H GLY A 41 -15.272 -9.569 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.768 -8.377 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.971 -7.662 2.557 1.00 0.00 H new ATOM 642 N GLN A 42 -18.138 -8.131 2.099 1.00 0.00 N ATOM 643 CA GLN A 42 -19.402 -7.489 1.763 1.00 0.00 C ATOM 644 C GLN A 42 -20.125 -7.017 3.020 1.00 0.00 C ATOM 645 O GLN A 42 -20.590 -5.879 3.093 1.00 0.00 O ATOM 646 CB GLN A 42 -20.291 -8.457 0.980 1.00 0.00 C ATOM 647 CG GLN A 42 -21.593 -7.840 0.499 1.00 0.00 C ATOM 648 CD GLN A 42 -22.454 -8.828 -0.264 1.00 0.00 C ATOM 649 OE1 GLN A 42 -21.943 -9.749 -0.903 1.00 0.00 O ATOM 650 NE2 GLN A 42 -23.767 -8.642 -0.203 1.00 0.00 N ATOM 0 H GLN A 42 -18.127 -9.140 1.953 1.00 0.00 H new ATOM 0 HA GLN A 42 -19.188 -6.618 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -19.736 -8.830 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -20.518 -9.317 1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -22.151 -7.462 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -21.372 -6.985 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -24.148 -7.866 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -24.395 -9.275 -0.697 1.00 0.00 H new ATOM 659 N ASP A 43 -20.219 -7.903 4.008 1.00 0.00 N ATOM 660 CA ASP A 43 -20.884 -7.579 5.265 1.00 0.00 C ATOM 661 C ASP A 43 -19.991 -7.902 6.460 1.00 0.00 C ATOM 662 O ASP A 43 -20.308 -7.548 7.595 1.00 0.00 O ATOM 663 CB ASP A 43 -22.206 -8.338 5.378 1.00 0.00 C ATOM 664 CG ASP A 43 -22.018 -9.842 5.333 1.00 0.00 C ATOM 665 OD1 ASP A 43 -22.019 -10.407 4.218 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.870 -10.455 6.411 1.00 0.00 O ATOM 0 H ASP A 43 -19.843 -8.850 3.962 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.087 -6.508 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.700 -8.065 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.867 -8.033 4.566 1.00 0.00 H new ATOM 671 N SER A 44 -18.874 -8.576 6.198 1.00 0.00 N ATOM 672 CA SER A 44 -17.937 -8.945 7.257 1.00 0.00 C ATOM 673 C SER A 44 -17.178 -7.722 7.766 1.00 0.00 C ATOM 674 O SER A 44 -16.775 -6.859 6.985 1.00 0.00 O ATOM 675 CB SER A 44 -16.948 -9.997 6.751 1.00 0.00 C ATOM 676 OG SER A 44 -15.996 -10.325 7.749 1.00 0.00 O ATOM 0 H SER A 44 -18.596 -8.877 5.264 1.00 0.00 H new ATOM 0 HA SER A 44 -18.512 -9.364 8.083 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.489 -10.895 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.436 -9.622 5.865 1.00 0.00 H new ATOM 0 HG SER A 44 -15.377 -11.000 7.401 1.00 0.00 H new ATOM 682 N GLU A 45 -16.988 -7.656 9.081 1.00 0.00 N ATOM 683 CA GLU A 45 -16.278 -6.541 9.698 1.00 0.00 C ATOM 684 C GLU A 45 -14.860 -6.947 10.094 1.00 0.00 C ATOM 685 O GLU A 45 -14.184 -6.232 10.835 1.00 0.00 O ATOM 686 CB GLU A 45 -17.038 -6.041 10.927 1.00 0.00 C ATOM 687 CG GLU A 45 -18.446 -5.556 10.619 1.00 0.00 C ATOM 688 CD GLU A 45 -18.463 -4.377 9.664 1.00 0.00 C ATOM 689 OE1 GLU A 45 -18.417 -3.224 10.144 1.00 0.00 O ATOM 690 OE2 GLU A 45 -18.522 -4.607 8.438 1.00 0.00 O ATOM 0 H GLU A 45 -17.316 -8.362 9.740 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.215 -5.736 8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.092 -6.845 11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.475 -5.228 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.022 -6.375 10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.940 -5.273 11.548 1.00 0.00 H new ATOM 697 N LYS A 46 -14.416 -8.096 9.595 1.00 0.00 N ATOM 698 CA LYS A 46 -13.077 -8.596 9.894 1.00 0.00 C ATOM 699 C LYS A 46 -12.087 -8.172 8.814 1.00 0.00 C ATOM 700 O LYS A 46 -10.985 -8.715 8.720 1.00 0.00 O ATOM 701 CB LYS A 46 -13.091 -10.118 10.016 1.00 0.00 C ATOM 702 CG LYS A 46 -12.822 -10.615 11.427 1.00 0.00 C ATOM 703 CD LYS A 46 -12.654 -12.123 11.465 1.00 0.00 C ATOM 704 CE LYS A 46 -13.963 -12.842 11.176 1.00 0.00 C ATOM 705 NZ LYS A 46 -13.782 -14.317 11.085 1.00 0.00 N ATOM 0 H LYS A 46 -14.963 -8.699 8.981 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.761 -8.166 10.845 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -14.060 -10.492 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.342 -10.536 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.922 -10.138 11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.645 -10.323 12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.904 -12.424 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.282 -12.423 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.683 -12.613 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.382 -12.470 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.698 -14.768 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.115 -14.538 10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.407 -14.677 11.986 1.00 0.00 H new ATOM 719 N CYS A 47 -12.488 -7.199 8.005 1.00 0.00 N ATOM 720 CA CYS A 47 -11.643 -6.700 6.928 1.00 0.00 C ATOM 721 C CYS A 47 -11.398 -5.202 7.077 1.00 0.00 C ATOM 722 O CYS A 47 -11.092 -4.512 6.104 1.00 0.00 O ATOM 723 CB CYS A 47 -12.292 -6.991 5.574 1.00 0.00 C ATOM 724 SG CYS A 47 -13.909 -6.213 5.350 1.00 0.00 S ATOM 0 H CYS A 47 -13.396 -6.739 8.075 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.682 -7.212 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.624 -6.651 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -12.400 -8.069 5.459 1.00 0.00 H new ATOM 0 HG CYS A 47 -14.758 -6.729 6.188 1.00 0.00 H new ATOM 730 N LYS A 48 -11.527 -4.706 8.303 1.00 0.00 N ATOM 731 CA LYS A 48 -11.319 -3.290 8.582 1.00 0.00 C ATOM 732 C LYS A 48 -9.853 -2.910 8.398 1.00 0.00 C ATOM 733 O LYS A 48 -9.500 -1.731 8.408 1.00 0.00 O ATOM 734 CB LYS A 48 -11.770 -2.956 10.006 1.00 0.00 C ATOM 735 CG LYS A 48 -13.243 -3.234 10.261 1.00 0.00 C ATOM 736 CD LYS A 48 -14.141 -2.313 9.448 1.00 0.00 C ATOM 737 CE LYS A 48 -14.066 -0.877 9.943 1.00 0.00 C ATOM 738 NZ LYS A 48 -14.940 0.030 9.150 1.00 0.00 N ATOM 0 H LYS A 48 -11.775 -5.264 9.120 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.917 -2.714 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.173 -3.533 10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.568 -1.903 10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.466 -4.272 10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.458 -3.108 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.849 -2.352 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.171 -2.665 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.360 -0.839 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.035 -0.527 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.860 0.999 9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.644 0.014 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.927 -0.288 9.223 1.00 0.00 H new ATOM 752 N GLU A 49 -9.003 -3.919 8.232 1.00 0.00 N ATOM 753 CA GLU A 49 -7.575 -3.692 8.045 1.00 0.00 C ATOM 754 C GLU A 49 -7.297 -3.030 6.700 1.00 0.00 C ATOM 755 O GLU A 49 -6.547 -2.058 6.619 1.00 0.00 O ATOM 756 CB GLU A 49 -6.812 -5.013 8.140 1.00 0.00 C ATOM 757 CG GLU A 49 -6.912 -5.679 9.502 1.00 0.00 C ATOM 758 CD GLU A 49 -6.125 -6.972 9.576 1.00 0.00 C ATOM 759 OE1 GLU A 49 -4.913 -6.913 9.876 1.00 0.00 O ATOM 760 OE2 GLU A 49 -6.718 -8.045 9.336 1.00 0.00 O ATOM 0 H GLU A 49 -9.279 -4.901 8.223 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.235 -3.023 8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.192 -5.698 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.762 -4.833 7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.548 -4.992 10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.959 -5.881 9.728 1.00 0.00 H new ATOM 767 N PHE A 50 -7.906 -3.565 5.646 1.00 0.00 N ATOM 768 CA PHE A 50 -7.720 -3.031 4.302 1.00 0.00 C ATOM 769 C PHE A 50 -8.322 -1.634 4.174 1.00 0.00 C ATOM 770 O PHE A 50 -7.766 -0.769 3.497 1.00 0.00 O ATOM 771 CB PHE A 50 -8.349 -3.967 3.267 1.00 0.00 C ATOM 772 CG PHE A 50 -7.753 -5.347 3.269 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.447 -5.552 2.854 1.00 0.00 C ATOM 774 CD2 PHE A 50 -8.499 -6.437 3.687 1.00 0.00 C ATOM 775 CE1 PHE A 50 -5.896 -6.819 2.857 1.00 0.00 C ATOM 776 CE2 PHE A 50 -7.953 -7.707 3.692 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.651 -7.898 3.276 1.00 0.00 C ATOM 0 H PHE A 50 -8.533 -4.368 5.697 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.648 -2.959 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.419 -4.041 3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.232 -3.530 2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.853 -4.712 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.519 -6.293 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.877 -6.966 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.545 -8.549 4.021 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.223 -8.889 3.278 1.00 0.00 H new ATOM 787 N ILE A 51 -9.459 -1.417 4.830 1.00 0.00 N ATOM 788 CA ILE A 51 -10.137 -0.124 4.784 1.00 0.00 C ATOM 789 C ILE A 51 -9.302 0.966 5.450 1.00 0.00 C ATOM 790 O ILE A 51 -9.090 2.034 4.877 1.00 0.00 O ATOM 791 CB ILE A 51 -11.518 -0.186 5.466 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.343 -1.342 4.896 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.253 1.137 5.289 1.00 0.00 C ATOM 794 CD1 ILE A 51 -13.640 -1.584 5.637 1.00 0.00 C ATOM 0 H ILE A 51 -9.930 -2.120 5.400 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.271 0.120 3.730 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.374 -0.361 6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.565 -1.137 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.744 -2.252 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.227 1.080 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.669 1.940 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.389 1.338 4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.171 -2.417 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.425 -1.821 6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.259 -0.688 5.589 1.00 0.00 H new ATOM 806 N GLU A 52 -8.835 0.693 6.666 1.00 0.00 N ATOM 807 CA GLU A 52 -8.026 1.655 7.408 1.00 0.00 C ATOM 808 C GLU A 52 -6.719 1.949 6.682 1.00 0.00 C ATOM 809 O GLU A 52 -6.302 3.101 6.576 1.00 0.00 O ATOM 810 CB GLU A 52 -7.732 1.130 8.814 1.00 0.00 C ATOM 811 CG GLU A 52 -8.964 1.046 9.701 1.00 0.00 C ATOM 812 CD GLU A 52 -9.574 2.405 9.982 1.00 0.00 C ATOM 813 OE1 GLU A 52 -9.060 3.114 10.873 1.00 0.00 O ATOM 814 OE2 GLU A 52 -10.566 2.761 9.311 1.00 0.00 O ATOM 0 H GLU A 52 -9.003 -0.185 7.157 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.594 2.582 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.282 0.140 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.996 1.779 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.709 0.410 9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.696 0.570 10.644 1.00 0.00 H new ATOM 821 N LYS A 53 -6.076 0.899 6.183 1.00 0.00 N ATOM 822 CA LYS A 53 -4.816 1.043 5.467 1.00 0.00 C ATOM 823 C LYS A 53 -4.993 1.893 4.211 1.00 0.00 C ATOM 824 O LYS A 53 -4.130 2.700 3.868 1.00 0.00 O ATOM 825 CB LYS A 53 -4.260 -0.332 5.107 1.00 0.00 C ATOM 826 CG LYS A 53 -3.004 -0.288 4.253 1.00 0.00 C ATOM 827 CD LYS A 53 -2.478 -1.686 3.973 1.00 0.00 C ATOM 828 CE LYS A 53 -1.179 -1.646 3.185 1.00 0.00 C ATOM 829 NZ LYS A 53 -1.349 -0.976 1.867 1.00 0.00 N ATOM 0 H LYS A 53 -6.408 -0.062 6.262 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.107 1.553 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.043 -0.876 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.028 -0.895 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.219 0.217 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.237 0.297 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.317 -2.211 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.225 -2.252 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.419 -1.121 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.816 -2.662 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.458 -1.029 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.103 -1.451 1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.605 0.021 2.015 1.00 0.00 H new ATOM 843 N TYR A 54 -6.120 1.702 3.531 1.00 0.00 N ATOM 844 CA TYR A 54 -6.420 2.452 2.315 1.00 0.00 C ATOM 845 C TYR A 54 -6.714 3.915 2.638 1.00 0.00 C ATOM 846 O TYR A 54 -6.269 4.821 1.929 1.00 0.00 O ATOM 847 CB TYR A 54 -7.616 1.822 1.595 1.00 0.00 C ATOM 848 CG TYR A 54 -8.181 2.676 0.480 1.00 0.00 C ATOM 849 CD1 TYR A 54 -7.530 2.779 -0.742 1.00 0.00 C ATOM 850 CD2 TYR A 54 -9.367 3.378 0.653 1.00 0.00 C ATOM 851 CE1 TYR A 54 -8.045 3.559 -1.761 1.00 0.00 C ATOM 852 CE2 TYR A 54 -9.889 4.160 -0.361 1.00 0.00 C ATOM 853 CZ TYR A 54 -9.224 4.246 -1.565 1.00 0.00 C ATOM 854 OH TYR A 54 -9.741 5.024 -2.578 1.00 0.00 O ATOM 0 H TYR A 54 -6.841 1.034 3.802 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.548 2.414 1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.314 0.859 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.403 1.625 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.607 2.241 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.890 3.312 1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.526 3.630 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.812 4.700 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 54 -10.576 5.439 -2.278 1.00 0.00 H new ATOM 864 N LYS A 55 -7.462 4.135 3.714 1.00 0.00 N ATOM 865 CA LYS A 55 -7.823 5.483 4.135 1.00 0.00 C ATOM 866 C LYS A 55 -6.584 6.284 4.522 1.00 0.00 C ATOM 867 O LYS A 55 -6.443 7.447 4.145 1.00 0.00 O ATOM 868 CB LYS A 55 -8.799 5.422 5.311 1.00 0.00 C ATOM 869 CG LYS A 55 -9.437 6.760 5.644 1.00 0.00 C ATOM 870 CD LYS A 55 -10.512 6.612 6.710 1.00 0.00 C ATOM 871 CE LYS A 55 -11.208 7.935 6.986 1.00 0.00 C ATOM 872 NZ LYS A 55 -10.254 8.981 7.449 1.00 0.00 N ATOM 0 H LYS A 55 -7.831 3.395 4.311 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.305 5.985 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.584 4.701 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.272 5.052 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.671 7.454 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.873 7.191 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.246 5.874 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.064 6.236 7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.709 8.277 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.980 7.788 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.784 9.803 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.662 8.597 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.649 9.274 6.656 1.00 0.00 H new ATOM 886 N GLU A 56 -5.688 5.651 5.274 1.00 0.00 N ATOM 887 CA GLU A 56 -4.458 6.303 5.710 1.00 0.00 C ATOM 888 C GLU A 56 -3.515 6.525 4.534 1.00 0.00 C ATOM 889 O GLU A 56 -2.806 7.530 4.476 1.00 0.00 O ATOM 890 CB GLU A 56 -3.760 5.462 6.782 1.00 0.00 C ATOM 891 CG GLU A 56 -4.597 5.251 8.032 1.00 0.00 C ATOM 892 CD GLU A 56 -3.860 4.470 9.102 1.00 0.00 C ATOM 893 OE1 GLU A 56 -3.139 5.098 9.905 1.00 0.00 O ATOM 894 OE2 GLU A 56 -4.002 3.229 9.136 1.00 0.00 O ATOM 0 H GLU A 56 -5.791 4.688 5.594 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.722 7.273 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.503 4.491 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.824 5.947 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.894 6.220 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.512 4.722 7.767 1.00 0.00 H new ATOM 901 N CYS A 57 -3.511 5.578 3.600 1.00 0.00 N ATOM 902 CA CYS A 57 -2.654 5.666 2.423 1.00 0.00 C ATOM 903 C CYS A 57 -2.973 6.915 1.608 1.00 0.00 C ATOM 904 O CYS A 57 -2.090 7.728 1.330 1.00 0.00 O ATOM 905 CB CYS A 57 -2.820 4.420 1.551 1.00 0.00 C ATOM 906 SG CYS A 57 -1.784 4.414 0.070 1.00 0.00 S ATOM 0 H CYS A 57 -4.092 4.741 3.636 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.620 5.730 2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.587 3.538 2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.865 4.336 1.251 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.666 3.197 -0.372 1.00 0.00 H new ATOM 912 N MET A 58 -4.239 7.063 1.227 1.00 0.00 N ATOM 913 CA MET A 58 -4.669 8.216 0.444 1.00 0.00 C ATOM 914 C MET A 58 -4.539 9.504 1.251 1.00 0.00 C ATOM 915 O MET A 58 -4.145 10.542 0.720 1.00 0.00 O ATOM 916 CB MET A 58 -6.115 8.032 -0.024 1.00 0.00 C ATOM 917 CG MET A 58 -6.705 9.267 -0.688 1.00 0.00 C ATOM 918 SD MET A 58 -8.198 8.903 -1.631 1.00 0.00 S ATOM 919 CE MET A 58 -7.510 7.969 -2.994 1.00 0.00 C ATOM 0 H MET A 58 -4.983 6.401 1.447 1.00 0.00 H new ATOM 0 HA MET A 58 -4.021 8.292 -0.429 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.157 7.198 -0.725 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.733 7.760 0.832 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.934 10.010 0.075 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.961 9.709 -1.350 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.865 8.386 -3.937 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.422 8.024 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.824 6.928 -2.917 1.00 0.00 H new ATOM 929 N LYS A 59 -4.871 9.428 2.536 1.00 0.00 N ATOM 930 CA LYS A 59 -4.787 10.590 3.411 1.00 0.00 C ATOM 931 C LYS A 59 -3.334 11.001 3.623 1.00 0.00 C ATOM 932 O LYS A 59 -3.046 12.149 3.965 1.00 0.00 O ATOM 933 CB LYS A 59 -5.452 10.292 4.757 1.00 0.00 C ATOM 934 CG LYS A 59 -5.473 11.480 5.706 1.00 0.00 C ATOM 935 CD LYS A 59 -6.316 12.619 5.155 1.00 0.00 C ATOM 936 CE LYS A 59 -6.239 13.850 6.044 1.00 0.00 C ATOM 937 NZ LYS A 59 -4.846 14.361 6.164 1.00 0.00 N ATOM 0 H LYS A 59 -5.199 8.577 2.992 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.314 11.416 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.476 9.961 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.928 9.465 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.869 11.168 6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.455 11.829 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.976 12.872 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.353 12.296 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.879 14.633 5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.623 13.607 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.843 15.393 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.470 14.127 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.250 13.920 5.434 1.00 0.00 H new ATOM 951 N GLY A 60 -2.420 10.056 3.413 1.00 0.00 N ATOM 952 CA GLY A 60 -1.007 10.338 3.579 1.00 0.00 C ATOM 953 C GLY A 60 -0.540 11.469 2.685 1.00 0.00 C ATOM 954 O GLY A 60 0.061 12.434 3.156 1.00 0.00 O ATOM 0 H GLY A 60 -2.635 9.100 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.809 10.595 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.431 9.440 3.357 1.00 0.00 H new ATOM 958 N TYR A 61 -0.819 11.347 1.391 1.00 0.00 N ATOM 959 CA TYR A 61 -0.432 12.369 0.425 1.00 0.00 C ATOM 960 C TYR A 61 -1.268 13.631 0.610 1.00 0.00 C ATOM 961 O TYR A 61 -0.929 14.694 0.090 1.00 0.00 O ATOM 962 CB TYR A 61 -0.595 11.842 -1.001 1.00 0.00 C ATOM 963 CG TYR A 61 0.267 10.637 -1.304 1.00 0.00 C ATOM 964 CD1 TYR A 61 -0.146 9.356 -0.959 1.00 0.00 C ATOM 965 CD2 TYR A 61 1.494 10.781 -1.940 1.00 0.00 C ATOM 966 CE1 TYR A 61 0.639 8.253 -1.238 1.00 0.00 C ATOM 967 CE2 TYR A 61 2.285 9.683 -2.222 1.00 0.00 C ATOM 968 CZ TYR A 61 1.853 8.422 -1.868 1.00 0.00 C ATOM 969 OH TYR A 61 2.637 7.327 -2.148 1.00 0.00 O ATOM 0 H TYR A 61 -1.312 10.550 0.987 1.00 0.00 H new ATOM 0 HA TYR A 61 0.616 12.617 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.640 11.581 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.351 12.639 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.096 9.220 -0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.835 11.767 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.303 7.264 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.236 9.812 -2.717 1.00 0.00 H new ATOM 0 HH TYR A 61 3.459 7.619 -2.595 1.00 0.00 H new ATOM 979 N GLY A 62 -2.364 13.503 1.352 1.00 0.00 N ATOM 980 CA GLY A 62 -3.234 14.638 1.596 1.00 0.00 C ATOM 981 C GLY A 62 -4.387 14.709 0.614 1.00 0.00 C ATOM 982 O GLY A 62 -4.393 15.550 -0.285 1.00 0.00 O ATOM 0 H GLY A 62 -2.665 12.632 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.628 14.578 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.652 15.557 1.535 1.00 0.00 H new ATOM 986 N PHE A 63 -5.365 13.823 0.783 1.00 0.00 N ATOM 987 CA PHE A 63 -6.528 13.794 -0.097 1.00 0.00 C ATOM 988 C PHE A 63 -7.753 13.269 0.641 1.00 0.00 C ATOM 989 O PHE A 63 -7.864 12.069 0.895 1.00 0.00 O ATOM 990 CB PHE A 63 -6.250 12.923 -1.324 1.00 0.00 C ATOM 991 CG PHE A 63 -7.265 13.089 -2.422 1.00 0.00 C ATOM 992 CD1 PHE A 63 -8.414 12.313 -2.453 1.00 0.00 C ATOM 993 CD2 PHE A 63 -7.067 14.025 -3.426 1.00 0.00 C ATOM 994 CE1 PHE A 63 -9.345 12.468 -3.462 1.00 0.00 C ATOM 995 CE2 PHE A 63 -7.995 14.184 -4.438 1.00 0.00 C ATOM 996 CZ PHE A 63 -9.135 13.405 -4.456 1.00 0.00 C ATOM 0 H PHE A 63 -5.375 13.118 1.520 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.728 14.815 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.262 13.165 -1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.225 11.877 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.583 11.579 -1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.177 14.637 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.236 11.858 -3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.829 14.917 -5.214 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.861 13.528 -5.246 1.00 0.00 H new ATOM 1006 N GLU A 64 -8.666 14.172 0.987 1.00 0.00 N ATOM 1007 CA GLU A 64 -9.886 13.787 1.686 1.00 0.00 C ATOM 1008 C GLU A 64 -10.643 12.738 0.878 1.00 0.00 C ATOM 1009 O GLU A 64 -10.581 12.730 -0.350 1.00 0.00 O ATOM 1010 CB GLU A 64 -10.776 15.009 1.929 1.00 0.00 C ATOM 1011 CG GLU A 64 -12.001 14.710 2.778 1.00 0.00 C ATOM 1012 CD GLU A 64 -11.642 14.274 4.185 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -11.410 13.064 4.389 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -11.591 15.142 5.081 1.00 0.00 O ATOM 0 H GLU A 64 -8.584 15.171 0.796 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.613 13.362 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.187 15.786 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.099 15.410 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.631 15.598 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.589 13.928 2.298 1.00 0.00 H new ATOM 1021 N VAL A 65 -11.356 11.857 1.569 1.00 0.00 N ATOM 1022 CA VAL A 65 -12.107 10.802 0.901 1.00 0.00 C ATOM 1023 C VAL A 65 -13.618 10.984 1.080 1.00 0.00 C ATOM 1024 O VAL A 65 -14.226 10.394 1.974 1.00 0.00 O ATOM 1025 CB VAL A 65 -11.672 9.407 1.408 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -11.694 9.351 2.928 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -12.542 8.309 0.810 1.00 0.00 C ATOM 0 H VAL A 65 -11.430 11.852 2.586 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.884 10.872 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.647 9.236 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.384 8.360 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.010 10.099 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.704 9.554 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.213 7.340 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.582 8.474 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.455 8.327 -0.276 1.00 0.00 H new ATOM 1037 N PRO A 66 -14.245 11.829 0.238 1.00 0.00 N ATOM 1038 CA PRO A 66 -15.682 12.074 0.292 1.00 0.00 C ATOM 1039 C PRO A 66 -16.453 11.075 -0.562 1.00 0.00 C ATOM 1040 O PRO A 66 -17.682 11.102 -0.618 1.00 0.00 O ATOM 1041 CB PRO A 66 -15.796 13.478 -0.289 1.00 0.00 C ATOM 1042 CG PRO A 66 -14.704 13.550 -1.304 1.00 0.00 C ATOM 1043 CD PRO A 66 -13.603 12.628 -0.825 1.00 0.00 C ATOM 0 HA PRO A 66 -16.096 11.974 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.773 13.641 -0.744 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -15.672 14.238 0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.067 13.243 -2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.337 14.571 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.233 11.995 -1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.750 13.189 -0.443 1.00 0.00 H new ATOM 1051 N SER A 67 -15.711 10.196 -1.229 1.00 0.00 N ATOM 1052 CA SER A 67 -16.303 9.181 -2.091 1.00 0.00 C ATOM 1053 C SER A 67 -16.979 8.091 -1.267 1.00 0.00 C ATOM 1054 O SER A 67 -17.928 7.452 -1.723 1.00 0.00 O ATOM 1055 CB SER A 67 -15.227 8.564 -2.987 1.00 0.00 C ATOM 1056 OG SER A 67 -15.784 7.601 -3.866 1.00 0.00 O ATOM 0 H SER A 67 -14.692 10.167 -1.188 1.00 0.00 H new ATOM 0 HA SER A 67 -17.060 9.660 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.737 9.348 -3.565 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.460 8.097 -2.370 1.00 0.00 H new ATOM 0 HG SER A 67 -15.076 7.223 -4.428 1.00 0.00 H new ATOM 1062 N ALA A 68 -16.484 7.885 -0.051 1.00 0.00 N ATOM 1063 CA ALA A 68 -17.038 6.874 0.839 1.00 0.00 C ATOM 1064 C ALA A 68 -18.159 7.453 1.696 1.00 0.00 C ATOM 1065 O ALA A 68 -17.909 8.193 2.646 1.00 0.00 O ATOM 1066 CB ALA A 68 -15.945 6.289 1.721 1.00 0.00 C ATOM 0 H ALA A 68 -15.699 8.406 0.340 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.459 6.077 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.374 5.535 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.179 5.830 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.497 7.082 2.320 1.00 0.00 H new ATOM 1072 N ASN A 69 -19.396 7.110 1.349 1.00 0.00 N ATOM 1073 CA ASN A 69 -20.560 7.594 2.082 1.00 0.00 C ATOM 1074 C ASN A 69 -20.995 6.585 3.140 1.00 0.00 C ATOM 1075 O ASN A 69 -20.556 6.721 4.302 1.00 0.00 O ATOM 1076 CB ASN A 69 -21.714 7.871 1.116 1.00 0.00 C ATOM 1077 CG ASN A 69 -22.963 8.355 1.826 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -23.783 7.556 2.280 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -23.119 9.671 1.921 1.00 0.00 N ATOM 1080 OXT ASN A 69 -21.769 5.666 2.799 1.00 0.00 O ATOM 0 H ASN A 69 -19.618 6.498 0.564 1.00 0.00 H new ATOM 0 HA ASN A 69 -20.285 8.521 2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -21.402 8.619 0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -21.945 6.962 0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -23.943 10.055 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -22.415 10.298 1.531 1.00 0.00 H new TER 1087 ASN A 69