USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.119 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.000964 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.3) USER MOD Single : A 15 MET CE :methyl -161:sc=-0.00929 (180deg=-0.584) USER MOD Single : A 16 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.17) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.25 K(o=-1.2,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 149:sc= -0.212 (180deg=-1.63!) USER MOD Single : A 40 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.44) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0434 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.056) USER MOD Single : A 52 GLN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 54 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-3.2!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.00029) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.5 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.482 21.428 -27.933 1.00 0.00 N ATOM 2 CA GLY A 1 13.676 22.643 -28.236 1.00 0.00 C ATOM 3 C GLY A 1 12.668 22.957 -27.149 1.00 0.00 C ATOM 4 O GLY A 1 12.994 22.923 -25.962 1.00 0.00 O ATOM 0 H1 GLY A 1 15.156 21.257 -28.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.004 21.570 -27.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.850 20.608 -27.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.344 23.495 -28.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.153 22.502 -29.182 1.00 0.00 H new ATOM 10 N SER A 2 11.440 23.264 -27.554 1.00 0.00 N ATOM 11 CA SER A 2 10.381 23.585 -26.604 1.00 0.00 C ATOM 12 C SER A 2 9.007 23.395 -27.238 1.00 0.00 C ATOM 13 O SER A 2 8.895 22.938 -28.375 1.00 0.00 O ATOM 14 CB SER A 2 10.531 25.026 -26.109 1.00 0.00 C ATOM 15 OG SER A 2 9.690 25.272 -24.995 1.00 0.00 O ATOM 0 H SER A 2 11.154 23.297 -28.532 1.00 0.00 H new ATOM 0 HA SER A 2 10.469 22.905 -25.756 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.569 25.213 -25.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.285 25.718 -26.914 1.00 0.00 H new ATOM 0 HG SER A 2 9.805 26.198 -24.696 1.00 0.00 H new ATOM 21 N SER A 3 7.963 23.747 -26.493 1.00 0.00 N ATOM 22 CA SER A 3 6.595 23.615 -26.982 1.00 0.00 C ATOM 23 C SER A 3 6.273 22.161 -27.308 1.00 0.00 C ATOM 24 O SER A 3 6.470 21.707 -28.435 1.00 0.00 O ATOM 25 CB SER A 3 6.389 24.485 -28.223 1.00 0.00 C ATOM 26 OG SER A 3 5.012 24.722 -28.457 1.00 0.00 O ATOM 0 H SER A 3 8.039 24.126 -25.549 1.00 0.00 H new ATOM 0 HA SER A 3 5.920 23.951 -26.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.908 25.435 -28.095 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.830 23.995 -29.091 1.00 0.00 H new ATOM 0 HG SER A 3 4.907 25.282 -29.255 1.00 0.00 H new ATOM 32 N GLY A 4 5.775 21.432 -26.313 1.00 0.00 N ATOM 33 CA GLY A 4 5.434 20.037 -26.514 1.00 0.00 C ATOM 34 C GLY A 4 4.979 19.360 -25.235 1.00 0.00 C ATOM 35 O GLY A 4 4.100 18.499 -25.259 1.00 0.00 O ATOM 0 H GLY A 4 5.602 21.784 -25.371 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.644 19.964 -27.261 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.300 19.508 -26.913 1.00 0.00 H new ATOM 39 N SER A 5 5.580 19.752 -24.116 1.00 0.00 N ATOM 40 CA SER A 5 5.233 19.177 -22.822 1.00 0.00 C ATOM 41 C SER A 5 4.211 20.047 -22.096 1.00 0.00 C ATOM 42 O SER A 5 3.962 21.187 -22.489 1.00 0.00 O ATOM 43 CB SER A 5 6.486 19.015 -21.960 1.00 0.00 C ATOM 44 OG SER A 5 6.453 17.797 -21.234 1.00 0.00 O ATOM 0 H SER A 5 6.309 20.465 -24.080 1.00 0.00 H new ATOM 0 HA SER A 5 4.790 18.196 -22.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.373 19.040 -22.594 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.565 19.853 -21.267 1.00 0.00 H new ATOM 0 HG SER A 5 7.266 17.717 -20.692 1.00 0.00 H new ATOM 50 N SER A 6 3.623 19.501 -21.037 1.00 0.00 N ATOM 51 CA SER A 6 2.628 20.228 -20.257 1.00 0.00 C ATOM 52 C SER A 6 2.834 19.999 -18.763 1.00 0.00 C ATOM 53 O SER A 6 3.284 18.932 -18.344 1.00 0.00 O ATOM 54 CB SER A 6 1.217 19.795 -20.661 1.00 0.00 C ATOM 55 OG SER A 6 0.235 20.540 -19.961 1.00 0.00 O ATOM 0 H SER A 6 3.818 18.558 -20.699 1.00 0.00 H new ATOM 0 HA SER A 6 2.748 21.292 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.085 19.931 -21.734 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.087 18.732 -20.456 1.00 0.00 H new ATOM 0 HG SER A 6 -0.658 20.246 -20.238 1.00 0.00 H new ATOM 61 N GLY A 7 2.502 21.008 -17.964 1.00 0.00 N ATOM 62 CA GLY A 7 2.658 20.896 -16.525 1.00 0.00 C ATOM 63 C GLY A 7 1.333 20.728 -15.810 1.00 0.00 C ATOM 64 O GLY A 7 0.742 21.703 -15.345 1.00 0.00 O ATOM 0 H GLY A 7 2.128 21.900 -18.287 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.301 20.045 -16.297 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.161 21.786 -16.147 1.00 0.00 H new ATOM 68 N VAL A 8 0.863 19.488 -15.722 1.00 0.00 N ATOM 69 CA VAL A 8 -0.401 19.194 -15.059 1.00 0.00 C ATOM 70 C VAL A 8 -0.324 17.885 -14.282 1.00 0.00 C ATOM 71 O VAL A 8 -0.152 16.814 -14.866 1.00 0.00 O ATOM 72 CB VAL A 8 -1.561 19.110 -16.070 1.00 0.00 C ATOM 73 CG1 VAL A 8 -2.894 19.003 -15.346 1.00 0.00 C ATOM 74 CG2 VAL A 8 -1.544 20.313 -17.001 1.00 0.00 C ATOM 0 H VAL A 8 1.340 18.670 -16.102 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.591 20.014 -14.366 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.430 18.211 -16.673 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.701 18.945 -16.076 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.900 18.107 -14.726 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.037 19.881 -14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.370 20.237 -17.708 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.649 21.227 -16.416 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.600 20.338 -17.546 1.00 0.00 H new ATOM 84 N THR A 9 -0.453 17.977 -12.962 1.00 0.00 N ATOM 85 CA THR A 9 -0.399 16.798 -12.105 1.00 0.00 C ATOM 86 C THR A 9 -1.797 16.393 -11.647 1.00 0.00 C ATOM 87 O THR A 9 -2.095 16.387 -10.453 1.00 0.00 O ATOM 88 CB THR A 9 0.494 17.067 -10.892 1.00 0.00 C ATOM 89 OG1 THR A 9 1.754 17.572 -11.297 1.00 0.00 O ATOM 90 CG2 THR A 9 0.743 15.836 -10.048 1.00 0.00 C ATOM 0 H THR A 9 -0.596 18.855 -12.463 1.00 0.00 H new ATOM 0 HA THR A 9 0.024 15.976 -12.683 1.00 0.00 H new ATOM 0 HB THR A 9 -0.049 17.797 -10.291 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.309 17.739 -10.507 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.383 16.096 -9.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.207 15.451 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.233 15.073 -10.653 1.00 0.00 H new ATOM 98 N TYR A 10 -2.652 16.057 -12.608 1.00 0.00 N ATOM 99 CA TYR A 10 -4.020 15.652 -12.306 1.00 0.00 C ATOM 100 C TYR A 10 -4.227 14.164 -12.582 1.00 0.00 C ATOM 101 O TYR A 10 -5.135 13.542 -12.029 1.00 0.00 O ATOM 102 CB TYR A 10 -5.011 16.480 -13.127 1.00 0.00 C ATOM 103 CG TYR A 10 -5.794 17.478 -12.304 1.00 0.00 C ATOM 104 CD1 TYR A 10 -5.173 18.594 -11.757 1.00 0.00 C ATOM 105 CD2 TYR A 10 -7.152 17.305 -12.073 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.883 19.508 -11.003 1.00 0.00 C ATOM 107 CE2 TYR A 10 -7.870 18.214 -11.321 1.00 0.00 C ATOM 108 CZ TYR A 10 -7.231 19.314 -10.788 1.00 0.00 C ATOM 109 OH TYR A 10 -7.943 20.222 -10.038 1.00 0.00 O ATOM 0 H TYR A 10 -2.422 16.057 -13.602 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.198 15.830 -11.245 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.468 17.012 -13.908 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.708 15.807 -13.626 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.117 18.749 -11.924 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.656 16.445 -12.489 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.385 20.370 -10.584 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.926 18.064 -11.151 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.880 19.939 -9.984 1.00 0.00 H new ATOM 119 N ASP A 11 -3.383 13.598 -13.440 1.00 0.00 N ATOM 120 CA ASP A 11 -3.479 12.184 -13.785 1.00 0.00 C ATOM 121 C ASP A 11 -2.537 11.346 -12.925 1.00 0.00 C ATOM 122 O ASP A 11 -1.919 10.397 -13.407 1.00 0.00 O ATOM 123 CB ASP A 11 -3.156 11.978 -15.266 1.00 0.00 C ATOM 124 CG ASP A 11 -4.068 12.781 -16.173 1.00 0.00 C ATOM 125 OD1 ASP A 11 -5.223 12.355 -16.382 1.00 0.00 O ATOM 126 OD2 ASP A 11 -3.627 13.837 -16.674 1.00 0.00 O ATOM 0 H ASP A 11 -2.626 14.096 -13.908 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.501 11.858 -13.593 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.120 12.263 -15.452 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.245 10.920 -15.511 1.00 0.00 H new ATOM 131 N ASP A 12 -2.434 11.702 -11.648 1.00 0.00 N ATOM 132 CA ASP A 12 -1.569 10.985 -10.720 1.00 0.00 C ATOM 133 C ASP A 12 -2.374 10.388 -9.568 1.00 0.00 C ATOM 134 O ASP A 12 -1.917 9.466 -8.893 1.00 0.00 O ATOM 135 CB ASP A 12 -0.490 11.920 -10.173 1.00 0.00 C ATOM 136 CG ASP A 12 -1.068 13.060 -9.358 1.00 0.00 C ATOM 137 OD1 ASP A 12 -1.663 13.979 -9.960 1.00 0.00 O ATOM 138 OD2 ASP A 12 -0.927 13.034 -8.117 1.00 0.00 O ATOM 0 H ASP A 12 -2.940 12.484 -11.233 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.094 10.169 -11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.201 11.349 -9.553 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.088 12.327 -11.003 1.00 0.00 H new ATOM 143 N VAL A 13 -3.573 10.919 -9.349 1.00 0.00 N ATOM 144 CA VAL A 13 -4.435 10.436 -8.279 1.00 0.00 C ATOM 145 C VAL A 13 -5.663 9.725 -8.839 1.00 0.00 C ATOM 146 O VAL A 13 -6.767 9.859 -8.310 1.00 0.00 O ATOM 147 CB VAL A 13 -4.890 11.587 -7.360 1.00 0.00 C ATOM 148 CG1 VAL A 13 -3.690 12.242 -6.691 1.00 0.00 C ATOM 149 CG2 VAL A 13 -5.701 12.612 -8.142 1.00 0.00 C ATOM 0 H VAL A 13 -3.968 11.683 -9.898 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.847 9.728 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.530 11.173 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.030 13.052 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.158 11.502 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.022 12.642 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.012 13.416 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.090 13.024 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.582 12.131 -8.567 1.00 0.00 H new ATOM 159 N HIS A 14 -5.465 8.968 -9.913 1.00 0.00 N ATOM 160 CA HIS A 14 -6.557 8.236 -10.545 1.00 0.00 C ATOM 161 C HIS A 14 -6.811 6.907 -9.838 1.00 0.00 C ATOM 162 O HIS A 14 -7.888 6.324 -9.963 1.00 0.00 O ATOM 163 CB HIS A 14 -6.245 7.989 -12.022 1.00 0.00 C ATOM 164 CG HIS A 14 -4.893 7.392 -12.257 1.00 0.00 C ATOM 165 ND1 HIS A 14 -3.967 7.941 -13.120 1.00 0.00 N ATOM 166 CD2 HIS A 14 -4.309 6.286 -11.737 1.00 0.00 C ATOM 167 CE1 HIS A 14 -2.874 7.198 -13.120 1.00 0.00 C ATOM 168 NE2 HIS A 14 -3.056 6.189 -12.289 1.00 0.00 N ATOM 0 H HIS A 14 -4.558 8.845 -10.364 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.458 8.844 -10.466 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.003 7.326 -12.439 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.315 8.933 -12.562 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.748 5.607 -11.021 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.983 7.385 -13.701 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.376 5.456 -12.089 1.00 0.00 H new ATOM 176 N MET A 15 -5.815 6.434 -9.096 1.00 0.00 N ATOM 177 CA MET A 15 -5.934 5.175 -8.371 1.00 0.00 C ATOM 178 C MET A 15 -6.260 5.421 -6.900 1.00 0.00 C ATOM 179 O MET A 15 -5.879 4.639 -6.030 1.00 0.00 O ATOM 180 CB MET A 15 -4.638 4.369 -8.496 1.00 0.00 C ATOM 181 CG MET A 15 -4.783 3.112 -9.341 1.00 0.00 C ATOM 182 SD MET A 15 -4.526 1.599 -8.394 1.00 0.00 S ATOM 183 CE MET A 15 -5.322 0.395 -9.455 1.00 0.00 C ATOM 0 H MET A 15 -4.917 6.904 -8.981 1.00 0.00 H new ATOM 0 HA MET A 15 -6.752 4.604 -8.811 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.866 5.003 -8.932 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.296 4.090 -7.500 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.778 3.092 -9.786 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.067 3.147 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.549 -0.503 -8.880 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.246 0.815 -9.852 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.656 0.139 -10.279 1.00 0.00 H new ATOM 193 N ASN A 16 -6.966 6.515 -6.630 1.00 0.00 N ATOM 194 CA ASN A 16 -7.342 6.863 -5.265 1.00 0.00 C ATOM 195 C ASN A 16 -8.755 6.379 -4.950 1.00 0.00 C ATOM 196 O ASN A 16 -9.705 7.161 -4.959 1.00 0.00 O ATOM 197 CB ASN A 16 -7.248 8.376 -5.057 1.00 0.00 C ATOM 198 CG ASN A 16 -5.916 8.798 -4.468 1.00 0.00 C ATOM 199 OD1 ASN A 16 -5.736 8.798 -3.250 1.00 0.00 O ATOM 200 ND2 ASN A 16 -4.974 9.159 -5.331 1.00 0.00 N ATOM 0 H ASN A 16 -7.289 7.175 -7.338 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.648 6.368 -4.586 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.396 8.881 -6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.053 8.700 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.057 9.452 -4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.167 9.144 -6.332 1.00 0.00 H new ATOM 207 N PHE A 17 -8.884 5.086 -4.672 1.00 0.00 N ATOM 208 CA PHE A 17 -10.181 4.499 -4.353 1.00 0.00 C ATOM 209 C PHE A 17 -10.404 4.456 -2.845 1.00 0.00 C ATOM 210 O PHE A 17 -9.711 3.738 -2.125 1.00 0.00 O ATOM 211 CB PHE A 17 -10.283 3.088 -4.936 1.00 0.00 C ATOM 212 CG PHE A 17 -9.935 3.015 -6.394 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.869 3.348 -7.361 1.00 0.00 C ATOM 214 CD2 PHE A 17 -8.673 2.610 -6.799 1.00 0.00 C ATOM 215 CE1 PHE A 17 -10.551 3.281 -8.705 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.348 2.541 -8.141 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.290 2.877 -9.095 1.00 0.00 C ATOM 0 H PHE A 17 -8.107 4.425 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.954 5.126 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.621 2.425 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.298 2.718 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.857 3.664 -7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.934 2.345 -6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.288 3.544 -9.449 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.360 2.225 -8.443 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.040 2.824 -10.144 1.00 0.00 H new ATOM 227 N THR A 18 -11.376 5.230 -2.374 1.00 0.00 N ATOM 228 CA THR A 18 -11.690 5.281 -0.950 1.00 0.00 C ATOM 229 C THR A 18 -12.187 3.927 -0.454 1.00 0.00 C ATOM 230 O THR A 18 -12.187 2.945 -1.196 1.00 0.00 O ATOM 231 CB THR A 18 -12.744 6.355 -0.677 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.974 6.017 -1.291 1.00 0.00 O ATOM 233 CG2 THR A 18 -12.344 7.727 -1.176 1.00 0.00 C ATOM 0 H THR A 18 -11.960 5.830 -2.957 1.00 0.00 H new ATOM 0 HA THR A 18 -10.777 5.533 -0.411 1.00 0.00 H new ATOM 0 HB THR A 18 -12.841 6.395 0.408 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.636 6.715 -1.104 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.136 8.441 -0.950 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.423 8.039 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.185 7.690 -2.254 1.00 0.00 H new ATOM 241 N GLU A 19 -12.609 3.883 0.806 1.00 0.00 N ATOM 242 CA GLU A 19 -13.109 2.649 1.402 1.00 0.00 C ATOM 243 C GLU A 19 -14.347 2.152 0.662 1.00 0.00 C ATOM 244 O GLU A 19 -14.466 0.965 0.358 1.00 0.00 O ATOM 245 CB GLU A 19 -13.438 2.868 2.880 1.00 0.00 C ATOM 246 CG GLU A 19 -13.111 1.671 3.758 1.00 0.00 C ATOM 247 CD GLU A 19 -12.865 2.060 5.203 1.00 0.00 C ATOM 248 OE1 GLU A 19 -13.822 2.510 5.868 1.00 0.00 O ATOM 249 OE2 GLU A 19 -11.716 1.915 5.670 1.00 0.00 O ATOM 0 H GLU A 19 -12.615 4.687 1.434 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.329 1.892 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.886 3.736 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.498 3.101 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.932 0.956 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.228 1.167 3.365 1.00 0.00 H new ATOM 256 N GLU A 20 -15.267 3.068 0.376 1.00 0.00 N ATOM 257 CA GLU A 20 -16.497 2.723 -0.328 1.00 0.00 C ATOM 258 C GLU A 20 -16.197 2.252 -1.747 1.00 0.00 C ATOM 259 O GLU A 20 -16.705 1.223 -2.192 1.00 0.00 O ATOM 260 CB GLU A 20 -17.442 3.925 -0.365 1.00 0.00 C ATOM 261 CG GLU A 20 -18.230 4.121 0.920 1.00 0.00 C ATOM 262 CD GLU A 20 -19.729 4.024 0.709 1.00 0.00 C ATOM 263 OE1 GLU A 20 -20.190 4.321 -0.414 1.00 0.00 O ATOM 264 OE2 GLU A 20 -20.441 3.653 1.665 1.00 0.00 O ATOM 0 H GLU A 20 -15.184 4.055 0.621 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.979 1.908 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.862 4.826 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.139 3.803 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.921 3.372 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.989 5.096 1.344 1.00 0.00 H new ATOM 271 N GLU A 21 -15.369 3.015 -2.455 1.00 0.00 N ATOM 272 CA GLU A 21 -15.001 2.676 -3.825 1.00 0.00 C ATOM 273 C GLU A 21 -14.308 1.319 -3.882 1.00 0.00 C ATOM 274 O GLU A 21 -14.419 0.596 -4.873 1.00 0.00 O ATOM 275 CB GLU A 21 -14.089 3.755 -4.411 1.00 0.00 C ATOM 276 CG GLU A 21 -14.835 4.820 -5.199 1.00 0.00 C ATOM 277 CD GLU A 21 -13.903 5.738 -5.965 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.064 6.403 -5.323 1.00 0.00 O ATOM 279 OE2 GLU A 21 -14.012 5.790 -7.209 1.00 0.00 O ATOM 0 H GLU A 21 -14.941 3.871 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.914 2.621 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.539 4.233 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.353 3.283 -5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.519 4.338 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.443 5.413 -4.516 1.00 0.00 H new ATOM 286 N TRP A 22 -13.592 0.978 -2.815 1.00 0.00 N ATOM 287 CA TRP A 22 -12.881 -0.293 -2.742 1.00 0.00 C ATOM 288 C TRP A 22 -13.834 -1.467 -2.945 1.00 0.00 C ATOM 289 O TRP A 22 -13.433 -2.530 -3.418 1.00 0.00 O ATOM 290 CB TRP A 22 -12.169 -0.426 -1.395 1.00 0.00 C ATOM 291 CG TRP A 22 -11.226 -1.588 -1.332 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.389 -2.739 -0.617 1.00 0.00 C ATOM 293 CD2 TRP A 22 -9.971 -1.711 -2.012 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.313 -3.571 -0.810 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.428 -2.963 -1.662 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.254 -0.886 -2.881 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.204 -3.406 -2.152 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.037 -1.328 -3.368 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.522 -2.578 -3.002 1.00 0.00 C ATOM 0 H TRP A 22 -13.489 1.566 -1.988 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.140 -0.310 -3.541 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.617 0.492 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.915 -0.530 -0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.240 -2.963 0.009 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.192 -4.492 -0.388 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.643 0.080 -3.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.806 -4.370 -1.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.475 -0.699 -4.042 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.568 -2.895 -3.398 1.00 0.00 H new ATOM 310 N ASP A 23 -15.097 -1.268 -2.583 1.00 0.00 N ATOM 311 CA ASP A 23 -16.107 -2.309 -2.726 1.00 0.00 C ATOM 312 C ASP A 23 -16.704 -2.308 -4.131 1.00 0.00 C ATOM 313 O ASP A 23 -17.216 -3.326 -4.598 1.00 0.00 O ATOM 314 CB ASP A 23 -17.216 -2.118 -1.687 1.00 0.00 C ATOM 315 CG ASP A 23 -17.511 -3.389 -0.915 1.00 0.00 C ATOM 316 OD1 ASP A 23 -17.620 -4.458 -1.553 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.632 -3.316 0.325 1.00 0.00 O ATOM 0 H ASP A 23 -15.445 -0.394 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.623 -3.272 -2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.925 -1.332 -0.990 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.124 -1.781 -2.187 1.00 0.00 H new ATOM 322 N LEU A 24 -16.637 -1.162 -4.802 1.00 0.00 N ATOM 323 CA LEU A 24 -17.173 -1.034 -6.153 1.00 0.00 C ATOM 324 C LEU A 24 -16.089 -1.260 -7.203 1.00 0.00 C ATOM 325 O LEU A 24 -16.234 -0.849 -8.355 1.00 0.00 O ATOM 326 CB LEU A 24 -17.802 0.348 -6.345 1.00 0.00 C ATOM 327 CG LEU A 24 -18.584 0.878 -5.141 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.590 2.398 -5.136 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.007 0.337 -5.152 1.00 0.00 C ATOM 0 H LEU A 24 -16.217 -0.309 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.938 -1.800 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.012 1.059 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.471 0.309 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.092 0.535 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.151 2.757 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.565 2.766 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.058 2.763 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.550 0.723 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.509 0.652 -6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -19.983 -0.752 -5.108 1.00 0.00 H new ATOM 341 N LEU A 25 -15.003 -1.916 -6.804 1.00 0.00 N ATOM 342 CA LEU A 25 -13.900 -2.194 -7.717 1.00 0.00 C ATOM 343 C LEU A 25 -13.915 -3.655 -8.158 1.00 0.00 C ATOM 344 O LEU A 25 -14.794 -4.423 -7.767 1.00 0.00 O ATOM 345 CB LEU A 25 -12.562 -1.866 -7.052 1.00 0.00 C ATOM 346 CG LEU A 25 -12.192 -0.383 -7.038 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.885 -0.166 -6.291 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.093 0.155 -8.457 1.00 0.00 C ATOM 0 H LEU A 25 -14.864 -2.264 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.024 -1.564 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.586 -2.228 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.774 -2.416 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.979 0.163 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.638 0.896 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.991 -0.513 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.088 -0.724 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.829 1.212 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.326 -0.396 -9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.053 0.035 -8.960 1.00 0.00 H new ATOM 360 N ASP A 26 -12.937 -4.030 -8.976 1.00 0.00 N ATOM 361 CA ASP A 26 -12.838 -5.399 -9.471 1.00 0.00 C ATOM 362 C ASP A 26 -11.627 -6.106 -8.871 1.00 0.00 C ATOM 363 O ASP A 26 -10.884 -5.526 -8.081 1.00 0.00 O ATOM 364 CB ASP A 26 -12.744 -5.406 -10.997 1.00 0.00 C ATOM 365 CG ASP A 26 -14.090 -5.194 -11.660 1.00 0.00 C ATOM 366 OD1 ASP A 26 -14.709 -4.135 -11.422 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.527 -6.086 -12.418 1.00 0.00 O ATOM 0 H ASP A 26 -12.202 -3.406 -9.310 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.737 -5.936 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.056 -4.624 -11.319 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.325 -6.356 -11.328 1.00 0.00 H new ATOM 372 N SER A 27 -11.435 -7.365 -9.253 1.00 0.00 N ATOM 373 CA SER A 27 -10.313 -8.153 -8.754 1.00 0.00 C ATOM 374 C SER A 27 -8.987 -7.598 -9.264 1.00 0.00 C ATOM 375 O SER A 27 -7.961 -7.702 -8.593 1.00 0.00 O ATOM 376 CB SER A 27 -10.463 -9.615 -9.175 1.00 0.00 C ATOM 377 OG SER A 27 -9.794 -10.478 -8.273 1.00 0.00 O ATOM 0 H SER A 27 -12.041 -7.861 -9.906 1.00 0.00 H new ATOM 0 HA SER A 27 -10.316 -8.093 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.520 -9.877 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.060 -9.750 -10.179 1.00 0.00 H new ATOM 0 HG SER A 27 -9.907 -11.407 -8.564 1.00 0.00 H new ATOM 383 N SER A 28 -9.016 -7.008 -10.455 1.00 0.00 N ATOM 384 CA SER A 28 -7.816 -6.438 -11.055 1.00 0.00 C ATOM 385 C SER A 28 -7.422 -5.140 -10.355 1.00 0.00 C ATOM 386 O SER A 28 -6.238 -4.865 -10.157 1.00 0.00 O ATOM 387 CB SER A 28 -8.039 -6.180 -12.546 1.00 0.00 C ATOM 388 OG SER A 28 -8.744 -7.251 -13.149 1.00 0.00 O ATOM 0 H SER A 28 -9.858 -6.912 -11.023 1.00 0.00 H new ATOM 0 HA SER A 28 -7.004 -7.155 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.597 -5.253 -12.678 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.078 -6.047 -13.043 1.00 0.00 H new ATOM 0 HG SER A 28 -8.875 -7.061 -14.101 1.00 0.00 H new ATOM 394 N GLN A 29 -8.421 -4.346 -9.986 1.00 0.00 N ATOM 395 CA GLN A 29 -8.178 -3.077 -9.309 1.00 0.00 C ATOM 396 C GLN A 29 -7.789 -3.303 -7.852 1.00 0.00 C ATOM 397 O GLN A 29 -6.937 -2.600 -7.309 1.00 0.00 O ATOM 398 CB GLN A 29 -9.422 -2.188 -9.382 1.00 0.00 C ATOM 399 CG GLN A 29 -10.042 -2.118 -10.768 1.00 0.00 C ATOM 400 CD GLN A 29 -9.521 -0.950 -11.581 1.00 0.00 C ATOM 401 OE1 GLN A 29 -8.758 -1.130 -12.529 1.00 0.00 O ATOM 402 NE2 GLN A 29 -9.934 0.257 -11.213 1.00 0.00 N ATOM 0 H GLN A 29 -9.406 -4.558 -10.144 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.352 -2.578 -9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.167 -2.562 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.157 -1.181 -9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.838 -3.047 -11.301 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.125 -2.036 -10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.567 0.360 -10.420 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.618 1.082 -11.723 1.00 0.00 H new ATOM 411 N LYS A 30 -8.421 -4.288 -7.223 1.00 0.00 N ATOM 412 CA LYS A 30 -8.145 -4.607 -5.827 1.00 0.00 C ATOM 413 C LYS A 30 -6.726 -5.143 -5.661 1.00 0.00 C ATOM 414 O LYS A 30 -6.085 -4.920 -4.633 1.00 0.00 O ATOM 415 CB LYS A 30 -9.158 -5.631 -5.310 1.00 0.00 C ATOM 416 CG LYS A 30 -10.273 -5.016 -4.480 1.00 0.00 C ATOM 417 CD LYS A 30 -10.985 -6.064 -3.639 1.00 0.00 C ATOM 418 CE LYS A 30 -12.229 -5.496 -2.978 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.863 -6.476 -2.053 1.00 0.00 N ATOM 0 H LYS A 30 -9.129 -4.880 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.235 -3.691 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.595 -6.157 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.636 -6.375 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.861 -4.245 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.991 -4.527 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.260 -6.911 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.306 -6.442 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.967 -4.593 -2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.946 -5.204 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.708 -6.050 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.136 -7.328 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.187 -6.736 -1.306 1.00 0.00 H new ATOM 433 N ARG A 31 -6.241 -5.852 -6.675 1.00 0.00 N ATOM 434 CA ARG A 31 -4.898 -6.419 -6.637 1.00 0.00 C ATOM 435 C ARG A 31 -3.862 -5.399 -7.096 1.00 0.00 C ATOM 436 O ARG A 31 -2.731 -5.386 -6.609 1.00 0.00 O ATOM 437 CB ARG A 31 -4.824 -7.671 -7.512 1.00 0.00 C ATOM 438 CG ARG A 31 -5.019 -7.388 -8.991 1.00 0.00 C ATOM 439 CD ARG A 31 -5.050 -8.671 -9.808 1.00 0.00 C ATOM 440 NE ARG A 31 -4.003 -8.699 -10.825 1.00 0.00 N ATOM 441 CZ ARG A 31 -3.584 -9.809 -11.429 1.00 0.00 C ATOM 442 NH1 ARG A 31 -4.121 -10.982 -11.122 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.626 -9.744 -12.344 1.00 0.00 N ATOM 0 H ARG A 31 -6.758 -6.047 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.677 -6.693 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.856 -8.150 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.583 -8.380 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.950 -6.840 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.213 -6.748 -9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.932 -9.527 -9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.024 -8.772 -10.288 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.567 -7.816 -11.088 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.859 -11.037 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.796 -11.829 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.211 -8.844 -12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.305 -10.594 -12.807 1.00 0.00 H new ATOM 457 N LEU A 32 -4.254 -4.545 -8.037 1.00 0.00 N ATOM 458 CA LEU A 32 -3.358 -3.523 -8.561 1.00 0.00 C ATOM 459 C LEU A 32 -3.028 -2.490 -7.490 1.00 0.00 C ATOM 460 O LEU A 32 -1.883 -2.056 -7.362 1.00 0.00 O ATOM 461 CB LEU A 32 -3.993 -2.838 -9.770 1.00 0.00 C ATOM 462 CG LEU A 32 -3.888 -3.618 -11.080 1.00 0.00 C ATOM 463 CD1 LEU A 32 -4.906 -3.107 -12.090 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.480 -3.522 -11.646 1.00 0.00 C ATOM 0 H LEU A 32 -5.186 -4.542 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.431 -4.006 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.046 -2.657 -9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.523 -1.864 -9.905 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.105 -4.666 -10.874 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.816 -3.674 -13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.911 -3.228 -11.686 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.721 -2.052 -12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.424 -4.083 -12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.235 -2.477 -11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.771 -3.937 -10.930 1.00 0.00 H new ATOM 476 N TYR A 33 -4.038 -2.107 -6.719 1.00 0.00 N ATOM 477 CA TYR A 33 -3.858 -1.129 -5.653 1.00 0.00 C ATOM 478 C TYR A 33 -3.005 -1.707 -4.529 1.00 0.00 C ATOM 479 O TYR A 33 -2.332 -0.973 -3.807 1.00 0.00 O ATOM 480 CB TYR A 33 -5.214 -0.687 -5.103 1.00 0.00 C ATOM 481 CG TYR A 33 -5.127 0.466 -4.128 1.00 0.00 C ATOM 482 CD1 TYR A 33 -5.177 1.781 -4.572 1.00 0.00 C ATOM 483 CD2 TYR A 33 -4.993 0.239 -2.765 1.00 0.00 C ATOM 484 CE1 TYR A 33 -5.097 2.837 -3.684 1.00 0.00 C ATOM 485 CE2 TYR A 33 -4.912 1.289 -1.870 1.00 0.00 C ATOM 486 CZ TYR A 33 -4.965 2.586 -2.335 1.00 0.00 C ATOM 487 OH TYR A 33 -4.885 3.635 -1.448 1.00 0.00 O ATOM 0 H TYR A 33 -4.991 -2.459 -6.812 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.344 -0.263 -6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.858 -0.400 -5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.690 -1.534 -4.609 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.280 1.982 -5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.951 -0.776 -2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.138 3.854 -4.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.808 1.095 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.796 3.287 -0.536 1.00 0.00 H new ATOM 497 N GLU A 34 -3.038 -3.029 -4.389 1.00 0.00 N ATOM 498 CA GLU A 34 -2.268 -3.707 -3.354 1.00 0.00 C ATOM 499 C GLU A 34 -0.814 -3.878 -3.783 1.00 0.00 C ATOM 500 O GLU A 34 0.095 -3.871 -2.953 1.00 0.00 O ATOM 501 CB GLU A 34 -2.885 -5.073 -3.041 1.00 0.00 C ATOM 502 CG GLU A 34 -3.785 -5.068 -1.815 1.00 0.00 C ATOM 503 CD GLU A 34 -3.165 -5.788 -0.634 1.00 0.00 C ATOM 504 OE1 GLU A 34 -3.143 -7.036 -0.645 1.00 0.00 O ATOM 505 OE2 GLU A 34 -2.702 -5.104 0.303 1.00 0.00 O ATOM 0 H GLU A 34 -3.590 -3.651 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.293 -3.091 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.462 -5.408 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.085 -5.798 -2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.004 -4.038 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.736 -5.539 -2.065 1.00 0.00 H new ATOM 512 N GLU A 35 -0.603 -4.031 -5.086 1.00 0.00 N ATOM 513 CA GLU A 35 0.740 -4.203 -5.628 1.00 0.00 C ATOM 514 C GLU A 35 1.614 -2.993 -5.314 1.00 0.00 C ATOM 515 O GLU A 35 2.709 -3.131 -4.768 1.00 0.00 O ATOM 516 CB GLU A 35 0.678 -4.423 -7.141 1.00 0.00 C ATOM 517 CG GLU A 35 0.115 -5.778 -7.537 1.00 0.00 C ATOM 518 CD GLU A 35 1.199 -6.793 -7.842 1.00 0.00 C ATOM 519 OE1 GLU A 35 1.991 -7.109 -6.928 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.257 -7.271 -8.995 1.00 0.00 O ATOM 0 H GLU A 35 -1.345 -4.039 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 35 1.184 -5.080 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.066 -3.640 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.681 -4.320 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.515 -6.155 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.524 -5.660 -8.412 1.00 0.00 H new ATOM 527 N VAL A 36 1.121 -1.808 -5.659 1.00 0.00 N ATOM 528 CA VAL A 36 1.857 -0.573 -5.414 1.00 0.00 C ATOM 529 C VAL A 36 2.064 -0.346 -3.920 1.00 0.00 C ATOM 530 O VAL A 36 3.065 0.238 -3.504 1.00 0.00 O ATOM 531 CB VAL A 36 1.128 0.643 -6.012 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.111 0.564 -7.530 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.286 0.744 -5.459 1.00 0.00 C ATOM 0 H VAL A 36 0.215 -1.677 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 36 2.827 -0.679 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 36 1.670 1.544 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.591 1.433 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.134 0.547 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.595 -0.344 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.786 1.610 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.841 -0.160 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.246 0.854 -4.375 1.00 0.00 H new ATOM 543 N MET A 37 1.111 -0.810 -3.119 1.00 0.00 N ATOM 544 CA MET A 37 1.188 -0.658 -1.670 1.00 0.00 C ATOM 545 C MET A 37 2.155 -1.673 -1.068 1.00 0.00 C ATOM 546 O MET A 37 2.878 -1.369 -0.120 1.00 0.00 O ATOM 547 CB MET A 37 -0.198 -0.823 -1.045 1.00 0.00 C ATOM 548 CG MET A 37 -1.115 0.367 -1.275 1.00 0.00 C ATOM 549 SD MET A 37 -1.024 1.582 0.054 1.00 0.00 S ATOM 550 CE MET A 37 0.330 2.607 -0.516 1.00 0.00 C ATOM 0 H MET A 37 0.276 -1.295 -3.448 1.00 0.00 H new ATOM 0 HA MET A 37 1.559 0.344 -1.453 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.668 -1.717 -1.454 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.087 -0.984 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.852 0.846 -2.218 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.142 0.016 -1.371 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.179 3.631 -0.176 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.269 2.226 -0.115 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.367 2.588 -1.605 1.00 0.00 H new ATOM 560 N LEU A 38 2.161 -2.879 -1.626 1.00 0.00 N ATOM 561 CA LEU A 38 3.038 -3.939 -1.144 1.00 0.00 C ATOM 562 C LEU A 38 4.504 -3.558 -1.326 1.00 0.00 C ATOM 563 O LEU A 38 5.363 -3.957 -0.539 1.00 0.00 O ATOM 564 CB LEU A 38 2.745 -5.248 -1.881 1.00 0.00 C ATOM 565 CG LEU A 38 1.637 -6.103 -1.265 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.979 -6.971 -2.326 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.194 -6.964 -0.140 1.00 0.00 C ATOM 0 H LEU A 38 1.569 -3.146 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 38 2.846 -4.078 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.473 -5.015 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.660 -5.839 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 38 0.880 -5.438 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.193 -7.572 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.546 -6.336 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.725 -7.628 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.393 -7.566 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.970 -7.620 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.618 -6.323 0.633 1.00 0.00 H new ATOM 579 N GLU A 39 4.784 -2.782 -2.369 1.00 0.00 N ATOM 580 CA GLU A 39 6.145 -2.346 -2.654 1.00 0.00 C ATOM 581 C GLU A 39 6.483 -1.076 -1.880 1.00 0.00 C ATOM 582 O GLU A 39 7.636 -0.853 -1.508 1.00 0.00 O ATOM 583 CB GLU A 39 6.321 -2.110 -4.156 1.00 0.00 C ATOM 584 CG GLU A 39 7.148 -3.182 -4.848 1.00 0.00 C ATOM 585 CD GLU A 39 6.836 -3.295 -6.326 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.421 -2.281 -6.925 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.005 -4.399 -6.886 1.00 0.00 O ATOM 0 H GLU A 39 4.085 -2.443 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 39 6.829 -3.133 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.338 -2.062 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.796 -1.141 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.207 -2.958 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.965 -4.143 -4.367 1.00 0.00 H new ATOM 594 N THR A 40 5.473 -0.247 -1.641 1.00 0.00 N ATOM 595 CA THR A 40 5.664 1.002 -0.911 1.00 0.00 C ATOM 596 C THR A 40 5.206 0.860 0.538 1.00 0.00 C ATOM 597 O THR A 40 4.458 1.694 1.049 1.00 0.00 O ATOM 598 CB THR A 40 4.901 2.137 -1.594 1.00 0.00 C ATOM 599 OG1 THR A 40 5.054 2.070 -3.000 1.00 0.00 O ATOM 600 CG2 THR A 40 5.348 3.512 -1.148 1.00 0.00 C ATOM 0 H THR A 40 4.513 -0.417 -1.942 1.00 0.00 H new ATOM 0 HA THR A 40 6.728 1.238 -0.914 1.00 0.00 H new ATOM 0 HB THR A 40 3.859 2.000 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.413 1.426 -3.368 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.766 4.271 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.195 3.614 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.405 3.643 -1.378 1.00 0.00 H new ATOM 608 N TYR A 41 5.659 -0.204 1.195 1.00 0.00 N ATOM 609 CA TYR A 41 5.295 -0.455 2.584 1.00 0.00 C ATOM 610 C TYR A 41 6.217 -1.497 3.209 1.00 0.00 C ATOM 611 O TYR A 41 6.934 -1.211 4.166 1.00 0.00 O ATOM 612 CB TYR A 41 3.842 -0.923 2.675 1.00 0.00 C ATOM 613 CG TYR A 41 3.187 -0.615 4.004 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.750 -1.053 5.195 1.00 0.00 C ATOM 615 CD2 TYR A 41 2.007 0.115 4.064 1.00 0.00 C ATOM 616 CE1 TYR A 41 3.155 -0.774 6.411 1.00 0.00 C ATOM 617 CE2 TYR A 41 1.406 0.400 5.276 1.00 0.00 C ATOM 618 CZ TYR A 41 1.983 -0.047 6.446 1.00 0.00 C ATOM 619 OH TYR A 41 1.389 0.233 7.654 1.00 0.00 O ATOM 0 H TYR A 41 6.278 -0.905 0.788 1.00 0.00 H new ATOM 0 HA TYR A 41 5.405 0.478 3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.267 -0.451 1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.804 -1.998 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.668 -1.621 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.552 0.466 3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.605 -1.123 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.489 0.970 5.306 1.00 0.00 H new ATOM 0 HH TYR A 41 0.573 0.754 7.504 1.00 0.00 H new ATOM 629 N GLN A 42 6.190 -2.707 2.660 1.00 0.00 N ATOM 630 CA GLN A 42 7.023 -3.793 3.163 1.00 0.00 C ATOM 631 C GLN A 42 8.492 -3.554 2.829 1.00 0.00 C ATOM 632 O GLN A 42 9.383 -3.967 3.570 1.00 0.00 O ATOM 633 CB GLN A 42 6.564 -5.130 2.576 1.00 0.00 C ATOM 634 CG GLN A 42 6.562 -6.269 3.582 1.00 0.00 C ATOM 635 CD GLN A 42 5.600 -7.377 3.205 1.00 0.00 C ATOM 636 OE1 GLN A 42 4.697 -7.718 3.969 1.00 0.00 O ATOM 637 NE2 GLN A 42 5.788 -7.948 2.021 1.00 0.00 N ATOM 0 H GLN A 42 5.600 -2.960 1.867 1.00 0.00 H new ATOM 0 HA GLN A 42 6.918 -3.825 4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.559 -5.013 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.215 -5.394 1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.569 -6.679 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.296 -5.880 4.565 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.549 -7.634 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.171 -8.700 1.714 1.00 0.00 H new ATOM 646 N ASN A 43 8.737 -2.884 1.706 1.00 0.00 N ATOM 647 CA ASN A 43 10.099 -2.591 1.274 1.00 0.00 C ATOM 648 C ASN A 43 10.560 -1.238 1.805 1.00 0.00 C ATOM 649 O ASN A 43 11.729 -1.058 2.145 1.00 0.00 O ATOM 650 CB ASN A 43 10.186 -2.610 -0.252 1.00 0.00 C ATOM 651 CG ASN A 43 9.747 -3.936 -0.841 1.00 0.00 C ATOM 652 OD1 ASN A 43 10.574 -4.777 -1.191 1.00 0.00 O ATOM 653 ND2 ASN A 43 8.437 -4.129 -0.952 1.00 0.00 N ATOM 0 H ASN A 43 8.011 -2.535 1.080 1.00 0.00 H new ATOM 0 HA ASN A 43 10.756 -3.361 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.565 -1.812 -0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.212 -2.402 -0.557 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.081 -5.003 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.787 -3.404 -0.649 1.00 0.00 H new ATOM 660 N LEU A 44 9.633 -0.289 1.874 1.00 0.00 N ATOM 661 CA LEU A 44 9.942 1.049 2.362 1.00 0.00 C ATOM 662 C LEU A 44 11.030 1.701 1.514 1.00 0.00 C ATOM 663 O LEU A 44 11.883 2.425 2.029 1.00 0.00 O ATOM 664 CB LEU A 44 10.385 0.991 3.827 1.00 0.00 C ATOM 665 CG LEU A 44 9.250 1.069 4.849 1.00 0.00 C ATOM 666 CD1 LEU A 44 9.773 0.784 6.248 1.00 0.00 C ATOM 667 CD2 LEU A 44 8.580 2.434 4.796 1.00 0.00 C ATOM 0 H LEU A 44 8.660 -0.422 1.598 1.00 0.00 H new ATOM 0 HA LEU A 44 9.038 1.654 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.936 0.064 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.079 1.811 4.014 1.00 0.00 H new ATOM 0 HG LEU A 44 8.507 0.311 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.952 0.844 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.208 -0.215 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.535 1.519 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.775 2.473 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.313 3.208 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.171 2.600 3.799 1.00 0.00 H new ATOM 679 N THR A 45 10.995 1.437 0.213 1.00 0.00 N ATOM 680 CA THR A 45 11.980 1.997 -0.708 1.00 0.00 C ATOM 681 C THR A 45 11.554 3.379 -1.206 1.00 0.00 C ATOM 682 O THR A 45 12.213 3.965 -2.065 1.00 0.00 O ATOM 683 CB THR A 45 12.186 1.058 -1.897 1.00 0.00 C ATOM 684 OG1 THR A 45 12.201 -0.293 -1.471 1.00 0.00 O ATOM 685 CG2 THR A 45 13.474 1.317 -2.647 1.00 0.00 C ATOM 0 H THR A 45 10.296 0.839 -0.229 1.00 0.00 H new ATOM 0 HA THR A 45 12.919 2.105 -0.166 1.00 0.00 H new ATOM 0 HB THR A 45 11.349 1.252 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.332 -0.879 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.558 0.617 -3.478 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.473 2.337 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.320 1.184 -1.973 1.00 0.00 H new ATOM 693 N ASP A 46 10.453 3.896 -0.665 1.00 0.00 N ATOM 694 CA ASP A 46 9.952 5.209 -1.061 1.00 0.00 C ATOM 695 C ASP A 46 9.903 6.169 0.128 1.00 0.00 C ATOM 696 O ASP A 46 9.560 7.341 -0.027 1.00 0.00 O ATOM 697 CB ASP A 46 8.560 5.078 -1.682 1.00 0.00 C ATOM 698 CG ASP A 46 8.062 6.385 -2.268 1.00 0.00 C ATOM 699 OD1 ASP A 46 8.817 7.016 -3.037 1.00 0.00 O ATOM 700 OD2 ASP A 46 6.919 6.778 -1.956 1.00 0.00 O ATOM 0 H ASP A 46 9.893 3.427 0.047 1.00 0.00 H new ATOM 0 HA ASP A 46 10.640 5.619 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.584 4.319 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.858 4.732 -0.923 1.00 0.00 H new ATOM 705 N ILE A 47 10.246 5.668 1.312 1.00 0.00 N ATOM 706 CA ILE A 47 10.237 6.489 2.518 1.00 0.00 C ATOM 707 C ILE A 47 11.548 6.350 3.286 1.00 0.00 C ATOM 708 O ILE A 47 12.127 7.341 3.728 1.00 0.00 O ATOM 709 CB ILE A 47 9.068 6.110 3.447 1.00 0.00 C ATOM 710 CG1 ILE A 47 7.760 6.036 2.656 1.00 0.00 C ATOM 711 CG2 ILE A 47 8.952 7.112 4.587 1.00 0.00 C ATOM 712 CD1 ILE A 47 7.230 4.627 2.496 1.00 0.00 C ATOM 0 H ILE A 47 10.533 4.701 1.461 1.00 0.00 H new ATOM 0 HA ILE A 47 10.114 7.523 2.196 1.00 0.00 H new ATOM 0 HB ILE A 47 9.266 5.126 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.007 6.644 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.916 6.471 1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.122 6.831 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.877 7.116 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.774 8.107 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.301 4.650 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.965 4.020 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.041 4.195 3.479 1.00 0.00 H new ATOM 724 N GLY A 48 12.009 5.113 3.438 1.00 0.00 N ATOM 725 CA GLY A 48 13.248 4.867 4.153 1.00 0.00 C ATOM 726 C GLY A 48 13.063 4.880 5.657 1.00 0.00 C ATOM 727 O GLY A 48 12.688 5.901 6.234 1.00 0.00 O ATOM 0 H GLY A 48 11.547 4.277 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.654 3.902 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.981 5.624 3.874 1.00 0.00 H new ATOM 731 N TYR A 49 13.326 3.744 6.295 1.00 0.00 N ATOM 732 CA TYR A 49 13.186 3.629 7.742 1.00 0.00 C ATOM 733 C TYR A 49 11.747 3.901 8.171 1.00 0.00 C ATOM 734 O TYR A 49 10.843 3.967 7.338 1.00 0.00 O ATOM 735 CB TYR A 49 14.137 4.602 8.444 1.00 0.00 C ATOM 736 CG TYR A 49 15.133 3.922 9.357 1.00 0.00 C ATOM 737 CD1 TYR A 49 16.074 3.035 8.849 1.00 0.00 C ATOM 738 CD2 TYR A 49 15.131 4.167 10.724 1.00 0.00 C ATOM 739 CE1 TYR A 49 16.986 2.411 9.680 1.00 0.00 C ATOM 740 CE2 TYR A 49 16.040 3.547 11.561 1.00 0.00 C ATOM 741 CZ TYR A 49 16.965 2.670 11.034 1.00 0.00 C ATOM 742 OH TYR A 49 17.871 2.051 11.864 1.00 0.00 O ATOM 0 H TYR A 49 13.637 2.890 5.832 1.00 0.00 H new ATOM 0 HA TYR A 49 13.444 2.610 8.030 1.00 0.00 H new ATOM 0 HB2 TYR A 49 14.679 5.174 7.691 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.551 5.314 9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 49 16.093 2.830 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.408 4.853 11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 49 17.712 1.724 9.270 1.00 0.00 H new ATOM 0 HE2 TYR A 49 16.026 3.748 12.622 1.00 0.00 H new ATOM 0 HH TYR A 49 17.722 2.343 12.787 1.00 0.00 H new ATOM 752 N ASN A 50 11.542 4.057 9.475 1.00 0.00 N ATOM 753 CA ASN A 50 10.213 4.322 10.013 1.00 0.00 C ATOM 754 C ASN A 50 10.298 4.888 11.426 1.00 0.00 C ATOM 755 O ASN A 50 10.156 4.160 12.408 1.00 0.00 O ATOM 756 CB ASN A 50 9.378 3.040 10.015 1.00 0.00 C ATOM 757 CG ASN A 50 7.912 3.304 9.731 1.00 0.00 C ATOM 758 OD1 ASN A 50 7.361 2.813 8.746 1.00 0.00 O ATOM 759 ND2 ASN A 50 7.273 4.085 10.595 1.00 0.00 N ATOM 0 H ASN A 50 12.279 4.004 10.178 1.00 0.00 H new ATOM 0 HA ASN A 50 9.732 5.063 9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.772 2.352 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.475 2.548 10.983 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.286 4.299 10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.770 4.470 11.398 1.00 0.00 H new ATOM 766 N TRP A 51 10.530 6.194 11.521 1.00 0.00 N ATOM 767 CA TRP A 51 10.632 6.860 12.815 1.00 0.00 C ATOM 768 C TRP A 51 9.449 7.798 13.044 1.00 0.00 C ATOM 769 O TRP A 51 9.529 8.724 13.852 1.00 0.00 O ATOM 770 CB TRP A 51 11.943 7.644 12.904 1.00 0.00 C ATOM 771 CG TRP A 51 12.044 8.748 11.896 1.00 0.00 C ATOM 772 CD1 TRP A 51 12.448 8.635 10.597 1.00 0.00 C ATOM 773 CD2 TRP A 51 11.737 10.131 12.104 1.00 0.00 C ATOM 774 NE1 TRP A 51 12.410 9.865 9.984 1.00 0.00 N ATOM 775 CE2 TRP A 51 11.977 10.798 10.888 1.00 0.00 C ATOM 776 CE3 TRP A 51 11.281 10.869 13.200 1.00 0.00 C ATOM 777 CZ2 TRP A 51 11.778 12.169 10.739 1.00 0.00 C ATOM 778 CZ3 TRP A 51 11.083 12.229 13.050 1.00 0.00 C ATOM 779 CH2 TRP A 51 11.330 12.866 11.828 1.00 0.00 C ATOM 0 H TRP A 51 10.651 6.811 10.718 1.00 0.00 H new ATOM 0 HA TRP A 51 10.618 6.094 13.591 1.00 0.00 H new ATOM 0 HB2 TRP A 51 12.039 8.065 13.905 1.00 0.00 H new ATOM 0 HB3 TRP A 51 12.779 6.958 12.766 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.753 7.715 10.121 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.663 10.052 9.014 1.00 0.00 H new ATOM 0 HE3 TRP A 51 11.087 10.386 14.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.970 12.664 9.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 10.732 12.810 13.890 1.00 0.00 H new ATOM 0 HH2 TRP A 51 11.163 13.930 11.743 1.00 0.00 H new ATOM 790 N GLN A 52 8.354 7.555 12.330 1.00 0.00 N ATOM 791 CA GLN A 52 7.158 8.382 12.458 1.00 0.00 C ATOM 792 C GLN A 52 6.007 7.596 13.081 1.00 0.00 C ATOM 793 O GLN A 52 5.062 8.181 13.613 1.00 0.00 O ATOM 794 CB GLN A 52 6.739 8.923 11.090 1.00 0.00 C ATOM 795 CG GLN A 52 7.650 10.021 10.565 1.00 0.00 C ATOM 796 CD GLN A 52 8.232 9.697 9.204 1.00 0.00 C ATOM 797 OE1 GLN A 52 7.533 9.739 8.191 1.00 0.00 O ATOM 798 NE2 GLN A 52 9.519 9.371 9.172 1.00 0.00 N ATOM 0 H GLN A 52 8.270 6.793 11.657 1.00 0.00 H new ATOM 0 HA GLN A 52 7.397 9.217 13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.723 8.102 10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.721 9.308 11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.090 10.954 10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.462 10.183 11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.061 9.349 10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.965 9.143 8.284 1.00 0.00 H new ATOM 807 N ASP A 53 6.090 6.272 13.013 1.00 0.00 N ATOM 808 CA ASP A 53 5.054 5.412 13.571 1.00 0.00 C ATOM 809 C ASP A 53 5.663 4.317 14.441 1.00 0.00 C ATOM 810 O ASP A 53 6.009 3.242 13.951 1.00 0.00 O ATOM 811 CB ASP A 53 4.225 4.784 12.450 1.00 0.00 C ATOM 812 CG ASP A 53 3.735 5.812 11.449 1.00 0.00 C ATOM 813 OD1 ASP A 53 4.459 6.075 10.465 1.00 0.00 O ATOM 814 OD2 ASP A 53 2.627 6.354 11.648 1.00 0.00 O ATOM 0 H ASP A 53 6.864 5.771 12.577 1.00 0.00 H new ATOM 0 HA ASP A 53 4.405 6.027 14.194 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.825 4.035 11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.370 4.264 12.882 1.00 0.00 H new ATOM 819 N HIS A 54 5.792 4.599 15.734 1.00 0.00 N ATOM 820 CA HIS A 54 6.360 3.638 16.673 1.00 0.00 C ATOM 821 C HIS A 54 5.278 3.060 17.579 1.00 0.00 C ATOM 822 O HIS A 54 4.580 3.796 18.276 1.00 0.00 O ATOM 823 CB HIS A 54 7.450 4.301 17.517 1.00 0.00 C ATOM 824 CG HIS A 54 8.779 4.369 16.832 1.00 0.00 C ATOM 825 ND1 HIS A 54 9.899 3.714 17.297 1.00 0.00 N ATOM 826 CD2 HIS A 54 9.165 5.020 15.709 1.00 0.00 C ATOM 827 CE1 HIS A 54 10.917 3.959 16.491 1.00 0.00 C ATOM 828 NE2 HIS A 54 10.497 4.748 15.519 1.00 0.00 N ATOM 0 H HIS A 54 5.511 5.485 16.155 1.00 0.00 H new ATOM 0 HA HIS A 54 6.801 2.823 16.099 1.00 0.00 H new ATOM 0 HB2 HIS A 54 7.133 5.311 17.777 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.560 3.750 18.451 1.00 0.00 H new ATOM 0 HD1 HIS A 54 9.936 3.131 18.133 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.541 5.638 15.080 1.00 0.00 H new ATOM 0 HE1 HIS A 54 11.921 3.579 16.607 1.00 0.00 H new ATOM 836 N HIS A 55 5.145 1.738 17.564 1.00 0.00 N ATOM 837 CA HIS A 55 4.147 1.061 18.385 1.00 0.00 C ATOM 838 C HIS A 55 4.520 -0.402 18.601 1.00 0.00 C ATOM 839 O HIS A 55 3.689 -1.297 18.440 1.00 0.00 O ATOM 840 CB HIS A 55 2.767 1.162 17.731 1.00 0.00 C ATOM 841 CG HIS A 55 1.667 1.469 18.700 1.00 0.00 C ATOM 842 ND1 HIS A 55 1.086 2.715 18.808 1.00 0.00 N ATOM 843 CD2 HIS A 55 1.040 0.683 19.607 1.00 0.00 C ATOM 844 CE1 HIS A 55 0.150 2.683 19.741 1.00 0.00 C ATOM 845 NE2 HIS A 55 0.102 1.461 20.239 1.00 0.00 N ATOM 0 H HIS A 55 5.715 1.114 16.993 1.00 0.00 H new ATOM 0 HA HIS A 55 4.116 1.553 19.357 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.793 1.937 16.965 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.544 0.222 17.226 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.240 -0.361 19.798 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.469 3.514 20.044 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.530 1.146 20.975 1.00 0.00 H new ATOM 853 N ILE A 56 5.777 -0.640 18.965 1.00 0.00 N ATOM 854 CA ILE A 56 6.260 -1.994 19.201 1.00 0.00 C ATOM 855 C ILE A 56 5.961 -2.441 20.629 1.00 0.00 C ATOM 856 O ILE A 56 6.172 -1.691 21.582 1.00 0.00 O ATOM 857 CB ILE A 56 7.776 -2.103 18.941 1.00 0.00 C ATOM 858 CG1 ILE A 56 8.241 -3.554 19.087 1.00 0.00 C ATOM 859 CG2 ILE A 56 8.548 -1.195 19.889 1.00 0.00 C ATOM 860 CD1 ILE A 56 9.712 -3.750 18.790 1.00 0.00 C ATOM 0 H ILE A 56 6.478 0.088 19.102 1.00 0.00 H new ATOM 0 HA ILE A 56 5.735 -2.646 18.503 1.00 0.00 H new ATOM 0 HB ILE A 56 7.975 -1.779 17.919 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.035 -3.893 20.102 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.656 -4.184 18.417 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.616 -1.286 19.690 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.237 -0.161 19.737 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.344 -1.487 20.919 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.971 -4.802 18.913 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.920 -3.443 17.765 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.305 -3.147 19.477 1.00 0.00 H new ATOM 872 N GLU A 57 5.467 -3.667 20.769 1.00 0.00 N ATOM 873 CA GLU A 57 5.140 -4.214 22.081 1.00 0.00 C ATOM 874 C GLU A 57 6.167 -5.258 22.508 1.00 0.00 C ATOM 875 O GLU A 57 6.827 -5.872 21.670 1.00 0.00 O ATOM 876 CB GLU A 57 3.742 -4.835 22.063 1.00 0.00 C ATOM 877 CG GLU A 57 2.677 -3.921 21.479 1.00 0.00 C ATOM 878 CD GLU A 57 1.751 -4.642 20.520 1.00 0.00 C ATOM 879 OE1 GLU A 57 2.165 -4.891 19.367 1.00 0.00 O ATOM 880 OE2 GLU A 57 0.611 -4.961 20.921 1.00 0.00 O ATOM 0 H GLU A 57 5.284 -4.300 19.990 1.00 0.00 H new ATOM 0 HA GLU A 57 5.159 -3.397 22.802 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.772 -5.759 21.486 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.460 -5.104 23.081 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.090 -3.489 22.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.159 -3.093 20.959 1.00 0.00 H new ATOM 887 N GLU A 58 6.294 -5.455 23.816 1.00 0.00 N ATOM 888 CA GLU A 58 7.240 -6.426 24.354 1.00 0.00 C ATOM 889 C GLU A 58 6.512 -7.632 24.938 1.00 0.00 C ATOM 890 O GLU A 58 7.036 -8.745 24.939 1.00 0.00 O ATOM 891 CB GLU A 58 8.115 -5.776 25.427 1.00 0.00 C ATOM 892 CG GLU A 58 9.318 -6.617 25.822 1.00 0.00 C ATOM 893 CD GLU A 58 10.597 -5.806 25.906 1.00 0.00 C ATOM 894 OE1 GLU A 58 10.541 -4.661 26.401 1.00 0.00 O ATOM 895 OE2 GLU A 58 11.652 -6.316 25.476 1.00 0.00 O ATOM 0 H GLU A 58 5.754 -4.956 24.523 1.00 0.00 H new ATOM 0 HA GLU A 58 7.873 -6.769 23.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.462 -4.808 25.064 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.509 -5.586 26.313 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.127 -7.087 26.787 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.449 -7.420 25.097 1.00 0.00 H new ATOM 902 N SER A 59 5.299 -7.403 25.433 1.00 0.00 N ATOM 903 CA SER A 59 4.499 -8.472 26.021 1.00 0.00 C ATOM 904 C SER A 59 4.258 -9.591 25.012 1.00 0.00 C ATOM 905 O SER A 59 3.334 -9.522 24.202 1.00 0.00 O ATOM 906 CB SER A 59 3.160 -7.921 26.517 1.00 0.00 C ATOM 907 OG SER A 59 3.255 -7.483 27.860 1.00 0.00 O ATOM 0 H SER A 59 4.849 -6.488 25.439 1.00 0.00 H new ATOM 0 HA SER A 59 5.052 -8.882 26.866 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.847 -7.092 25.882 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.394 -8.692 26.436 1.00 0.00 H new ATOM 0 HG SER A 59 2.387 -7.134 28.152 1.00 0.00 H new ATOM 913 N GLY A 60 5.095 -10.622 25.069 1.00 0.00 N ATOM 914 CA GLY A 60 4.957 -11.741 24.155 1.00 0.00 C ATOM 915 C GLY A 60 6.265 -12.093 23.469 1.00 0.00 C ATOM 916 O GLY A 60 6.477 -11.728 22.313 1.00 0.00 O ATOM 0 H GLY A 60 5.866 -10.703 25.732 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.591 -12.610 24.702 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.208 -11.500 23.401 1.00 0.00 H new ATOM 920 N PRO A 61 7.165 -12.810 24.161 1.00 0.00 N ATOM 921 CA PRO A 61 8.461 -13.207 23.597 1.00 0.00 C ATOM 922 C PRO A 61 8.315 -13.907 22.251 1.00 0.00 C ATOM 923 O PRO A 61 8.817 -13.429 21.234 1.00 0.00 O ATOM 924 CB PRO A 61 9.025 -14.171 24.644 1.00 0.00 C ATOM 925 CG PRO A 61 8.368 -13.772 25.919 1.00 0.00 C ATOM 926 CD PRO A 61 6.994 -13.289 25.546 1.00 0.00 C ATOM 0 HA PRO A 61 9.102 -12.347 23.403 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.800 -15.207 24.390 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.110 -14.088 24.715 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.311 -14.614 26.609 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.934 -12.987 26.420 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.256 -14.089 25.606 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.655 -12.492 26.208 1.00 0.00 H new ATOM 934 N SER A 62 7.626 -15.043 22.252 1.00 0.00 N ATOM 935 CA SER A 62 7.415 -15.811 21.030 1.00 0.00 C ATOM 936 C SER A 62 6.083 -15.446 20.382 1.00 0.00 C ATOM 937 O SER A 62 5.237 -14.800 21.001 1.00 0.00 O ATOM 938 CB SER A 62 7.457 -17.310 21.330 1.00 0.00 C ATOM 939 OG SER A 62 8.123 -18.019 20.300 1.00 0.00 O ATOM 0 H SER A 62 7.204 -15.453 23.085 1.00 0.00 H new ATOM 0 HA SER A 62 8.217 -15.566 20.333 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.965 -17.480 22.279 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.441 -17.690 21.439 1.00 0.00 H new ATOM 0 HG SER A 62 8.137 -18.975 20.517 1.00 0.00 H new ATOM 945 N SER A 63 5.903 -15.864 19.134 1.00 0.00 N ATOM 946 CA SER A 63 4.674 -15.582 18.402 1.00 0.00 C ATOM 947 C SER A 63 4.492 -16.560 17.246 1.00 0.00 C ATOM 948 O SER A 63 5.219 -16.505 16.254 1.00 0.00 O ATOM 949 CB SER A 63 4.687 -14.146 17.874 1.00 0.00 C ATOM 950 OG SER A 63 5.573 -13.334 18.626 1.00 0.00 O ATOM 0 H SER A 63 6.593 -16.400 18.608 1.00 0.00 H new ATOM 0 HA SER A 63 3.837 -15.701 19.090 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.987 -14.143 16.826 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.681 -13.730 17.919 1.00 0.00 H new ATOM 0 HG SER A 63 5.564 -12.422 18.268 1.00 0.00 H new ATOM 956 N GLY A 64 3.516 -17.452 17.379 1.00 0.00 N ATOM 957 CA GLY A 64 3.257 -18.429 16.339 1.00 0.00 C ATOM 958 C GLY A 64 4.040 -19.711 16.537 1.00 0.00 C ATOM 959 O GLY A 64 3.867 -20.645 15.727 1.00 0.00 O ATOM 960 OXT GLY A 64 4.829 -19.782 17.504 1.00 0.00 O ATOM 0 H GLY A 64 2.900 -17.515 18.189 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.192 -18.658 16.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.510 -17.999 15.370 1.00 0.00 H new TER 964 GLY A 64