USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=19 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 Set 1.1: A 50 ASN : amide:sc= -0.197 K(o=-4.1,f=-4.9) USER MOD Set 1.2: A 52 GLN : amide:sc= -3.94! C(o=-4.1!,f=-4.1!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.039 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0225 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 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= -0.0103 X(o=-0.01,f=-0.19) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.00098) 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= -0.362 X(o=-0.36,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 37 MET CE :methyl -167:sc= 0 (180deg=-0.114) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0073 X(o=-0.0073,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.702 K(o=-0.7,f=-0.034) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.45) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 5:sc= 0.771! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.501 15.468 -23.814 1.00 0.00 N ATOM 2 CA GLY A 1 0.883 16.661 -24.456 1.00 0.00 C ATOM 3 C GLY A 1 0.248 17.599 -23.448 1.00 0.00 C ATOM 4 O GLY A 1 0.636 17.620 -22.281 1.00 0.00 O ATOM 0 H1 GLY A 1 2.454 15.318 -24.204 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.567 15.621 -22.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.915 14.630 -24.002 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.643 17.200 -25.021 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.127 16.335 -25.170 1.00 0.00 H new ATOM 10 N SER A 2 -0.729 18.377 -23.901 1.00 0.00 N ATOM 11 CA SER A 2 -1.419 19.322 -23.031 1.00 0.00 C ATOM 12 C SER A 2 -0.444 20.346 -22.460 1.00 0.00 C ATOM 13 O SER A 2 0.075 20.176 -21.358 1.00 0.00 O ATOM 14 CB SER A 2 -2.122 18.580 -21.893 1.00 0.00 C ATOM 15 OG SER A 2 -2.500 17.273 -22.292 1.00 0.00 O ATOM 0 H SER A 2 -1.061 18.372 -24.865 1.00 0.00 H new ATOM 0 HA SER A 2 -2.164 19.849 -23.627 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.460 18.523 -21.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.005 19.138 -21.582 1.00 0.00 H new ATOM 0 HG SER A 2 -2.946 16.819 -21.546 1.00 0.00 H new ATOM 21 N SER A 3 -0.202 21.411 -23.219 1.00 0.00 N ATOM 22 CA SER A 3 0.711 22.464 -22.789 1.00 0.00 C ATOM 23 C SER A 3 2.118 21.913 -22.582 1.00 0.00 C ATOM 24 O SER A 3 2.299 20.720 -22.339 1.00 0.00 O ATOM 25 CB SER A 3 0.207 23.106 -21.494 1.00 0.00 C ATOM 26 OG SER A 3 -0.564 24.264 -21.766 1.00 0.00 O ATOM 0 H SER A 3 -0.625 21.567 -24.134 1.00 0.00 H new ATOM 0 HA SER A 3 0.748 23.221 -23.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.395 22.387 -20.938 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.054 23.370 -20.861 1.00 0.00 H new ATOM 0 HG SER A 3 -0.876 24.655 -20.923 1.00 0.00 H new ATOM 32 N GLY A 4 3.112 22.790 -22.681 1.00 0.00 N ATOM 33 CA GLY A 4 4.490 22.373 -22.503 1.00 0.00 C ATOM 34 C GLY A 4 4.957 22.512 -21.067 1.00 0.00 C ATOM 35 O GLY A 4 5.340 21.529 -20.434 1.00 0.00 O ATOM 0 H GLY A 4 2.987 23.782 -22.881 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.596 21.335 -22.817 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.133 22.969 -23.150 1.00 0.00 H new ATOM 39 N SER A 5 4.927 23.738 -20.554 1.00 0.00 N ATOM 40 CA SER A 5 5.350 24.003 -19.184 1.00 0.00 C ATOM 41 C SER A 5 4.376 23.388 -18.184 1.00 0.00 C ATOM 42 O SER A 5 4.765 23.001 -17.082 1.00 0.00 O ATOM 43 CB SER A 5 5.460 25.510 -18.946 1.00 0.00 C ATOM 44 OG SER A 5 6.614 26.043 -19.570 1.00 0.00 O ATOM 0 H SER A 5 4.614 24.563 -21.066 1.00 0.00 H new ATOM 0 HA SER A 5 6.329 23.546 -19.037 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.571 26.008 -19.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.497 25.710 -17.875 1.00 0.00 H new ATOM 0 HG SER A 5 6.660 27.008 -19.404 1.00 0.00 H new ATOM 50 N SER A 6 3.108 23.301 -18.575 1.00 0.00 N ATOM 51 CA SER A 6 2.080 22.734 -17.712 1.00 0.00 C ATOM 52 C SER A 6 1.932 23.549 -16.432 1.00 0.00 C ATOM 53 O SER A 6 2.850 23.611 -15.614 1.00 0.00 O ATOM 54 CB SER A 6 2.415 21.281 -17.369 1.00 0.00 C ATOM 55 OG SER A 6 1.292 20.614 -16.820 1.00 0.00 O ATOM 0 H SER A 6 2.769 23.616 -19.484 1.00 0.00 H new ATOM 0 HA SER A 6 1.133 22.764 -18.251 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.748 20.760 -18.266 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.241 21.253 -16.659 1.00 0.00 H new ATOM 0 HG SER A 6 1.532 19.687 -16.611 1.00 0.00 H new ATOM 61 N GLY A 7 0.770 24.173 -16.265 1.00 0.00 N ATOM 62 CA GLY A 7 0.523 24.976 -15.082 1.00 0.00 C ATOM 63 C GLY A 7 -0.064 24.166 -13.943 1.00 0.00 C ATOM 64 O GLY A 7 0.391 24.263 -12.804 1.00 0.00 O ATOM 0 H GLY A 7 -0.004 24.137 -16.928 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.457 25.433 -14.755 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.158 25.789 -15.334 1.00 0.00 H new ATOM 68 N VAL A 8 -1.078 23.365 -14.252 1.00 0.00 N ATOM 69 CA VAL A 8 -1.730 22.533 -13.247 1.00 0.00 C ATOM 70 C VAL A 8 -0.827 21.383 -12.816 1.00 0.00 C ATOM 71 O VAL A 8 -0.431 20.552 -13.632 1.00 0.00 O ATOM 72 CB VAL A 8 -3.059 21.959 -13.769 1.00 0.00 C ATOM 73 CG1 VAL A 8 -3.819 21.264 -12.649 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.906 23.056 -14.396 1.00 0.00 C ATOM 0 H VAL A 8 -1.466 23.274 -15.191 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.932 23.174 -12.389 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.835 21.220 -14.538 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.756 20.865 -13.038 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.215 20.449 -12.251 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.032 21.980 -11.855 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.842 22.631 -14.759 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.121 23.821 -13.650 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.363 23.503 -15.229 1.00 0.00 H new ATOM 84 N THR A 9 -0.504 21.341 -11.526 1.00 0.00 N ATOM 85 CA THR A 9 0.352 20.292 -10.986 1.00 0.00 C ATOM 86 C THR A 9 -0.287 19.645 -9.761 1.00 0.00 C ATOM 87 O THR A 9 0.405 19.250 -8.823 1.00 0.00 O ATOM 88 CB THR A 9 1.723 20.862 -10.620 1.00 0.00 C ATOM 89 OG1 THR A 9 1.600 22.183 -10.125 1.00 0.00 O ATOM 90 CG2 THR A 9 2.688 20.896 -11.784 1.00 0.00 C ATOM 0 H THR A 9 -0.823 22.022 -10.836 1.00 0.00 H new ATOM 0 HA THR A 9 0.477 19.528 -11.754 1.00 0.00 H new ATOM 0 HB THR A 9 2.121 20.190 -9.860 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.487 22.530 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.641 21.311 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.843 19.884 -12.158 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.277 21.517 -12.580 1.00 0.00 H new ATOM 98 N TYR A 10 -1.612 19.540 -9.778 1.00 0.00 N ATOM 99 CA TYR A 10 -2.345 18.940 -8.669 1.00 0.00 C ATOM 100 C TYR A 10 -2.917 17.583 -9.065 1.00 0.00 C ATOM 101 O TYR A 10 -3.968 17.173 -8.572 1.00 0.00 O ATOM 102 CB TYR A 10 -3.470 19.873 -8.212 1.00 0.00 C ATOM 103 CG TYR A 10 -3.288 20.396 -6.805 1.00 0.00 C ATOM 104 CD1 TYR A 10 -2.377 21.408 -6.533 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.029 19.879 -5.750 1.00 0.00 C ATOM 106 CE1 TYR A 10 -2.207 21.890 -5.249 1.00 0.00 C ATOM 107 CE2 TYR A 10 -3.867 20.356 -4.464 1.00 0.00 C ATOM 108 CZ TYR A 10 -2.955 21.360 -4.218 1.00 0.00 C ATOM 109 OH TYR A 10 -2.790 21.837 -2.937 1.00 0.00 O ATOM 0 H TYR A 10 -2.200 19.862 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.650 18.790 -7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.533 20.717 -8.899 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.419 19.341 -8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.791 21.826 -7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.743 19.091 -5.938 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.493 22.677 -5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.452 19.944 -3.655 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.392 21.359 -2.330 1.00 0.00 H new ATOM 119 N ASP A 11 -2.219 16.890 -9.959 1.00 0.00 N ATOM 120 CA ASP A 11 -2.658 15.578 -10.422 1.00 0.00 C ATOM 121 C ASP A 11 -1.525 14.561 -10.331 1.00 0.00 C ATOM 122 O ASP A 11 -0.651 14.511 -11.197 1.00 0.00 O ATOM 123 CB ASP A 11 -3.165 15.666 -11.862 1.00 0.00 C ATOM 124 CG ASP A 11 -4.542 16.295 -11.952 1.00 0.00 C ATOM 125 OD1 ASP A 11 -5.534 15.597 -11.654 1.00 0.00 O ATOM 126 OD2 ASP A 11 -4.628 17.485 -12.321 1.00 0.00 O ATOM 0 H ASP A 11 -1.347 17.215 -10.377 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.472 15.247 -9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.462 16.250 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.196 14.666 -12.295 1.00 0.00 H new ATOM 131 N ASP A 12 -1.545 13.752 -9.277 1.00 0.00 N ATOM 132 CA ASP A 12 -0.518 12.736 -9.074 1.00 0.00 C ATOM 133 C ASP A 12 -1.035 11.609 -8.185 1.00 0.00 C ATOM 134 O ASP A 12 -0.268 10.976 -7.460 1.00 0.00 O ATOM 135 CB ASP A 12 0.731 13.360 -8.451 1.00 0.00 C ATOM 136 CG ASP A 12 2.011 12.763 -9.000 1.00 0.00 C ATOM 137 OD1 ASP A 12 2.176 12.748 -10.238 1.00 0.00 O ATOM 138 OD2 ASP A 12 2.849 12.310 -8.192 1.00 0.00 O ATOM 0 H ASP A 12 -2.260 13.780 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.260 12.318 -10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.727 14.434 -8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.703 13.221 -7.370 1.00 0.00 H new ATOM 143 N VAL A 13 -2.340 11.362 -8.248 1.00 0.00 N ATOM 144 CA VAL A 13 -2.958 10.311 -7.449 1.00 0.00 C ATOM 145 C VAL A 13 -4.073 9.617 -8.225 1.00 0.00 C ATOM 146 O VAL A 13 -5.255 9.879 -8.003 1.00 0.00 O ATOM 147 CB VAL A 13 -3.532 10.867 -6.132 1.00 0.00 C ATOM 148 CG1 VAL A 13 -2.417 11.137 -5.134 1.00 0.00 C ATOM 149 CG2 VAL A 13 -4.341 12.129 -6.393 1.00 0.00 C ATOM 0 H VAL A 13 -2.989 11.876 -8.844 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.175 9.589 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.198 10.118 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.843 11.529 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.885 10.209 -4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.723 11.866 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.739 12.508 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.700 12.885 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.165 11.900 -7.069 1.00 0.00 H new ATOM 159 N HIS A 14 -3.689 8.729 -9.137 1.00 0.00 N ATOM 160 CA HIS A 14 -4.655 7.998 -9.946 1.00 0.00 C ATOM 161 C HIS A 14 -5.071 6.695 -9.267 1.00 0.00 C ATOM 162 O HIS A 14 -6.125 6.137 -9.568 1.00 0.00 O ATOM 163 CB HIS A 14 -4.074 7.701 -11.330 1.00 0.00 C ATOM 164 CG HIS A 14 -3.977 8.909 -12.210 1.00 0.00 C ATOM 165 ND1 HIS A 14 -4.263 10.185 -11.772 1.00 0.00 N ATOM 166 CD2 HIS A 14 -3.624 9.030 -13.512 1.00 0.00 C ATOM 167 CE1 HIS A 14 -4.091 11.038 -12.766 1.00 0.00 C ATOM 168 NE2 HIS A 14 -3.703 10.363 -13.832 1.00 0.00 N ATOM 0 H HIS A 14 -2.715 8.499 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.540 8.625 -10.056 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.081 7.266 -11.213 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.694 6.952 -11.822 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.334 8.228 -14.175 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.242 12.106 -12.715 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.495 10.766 -14.746 1.00 0.00 H new ATOM 176 N MET A 15 -4.236 6.218 -8.351 1.00 0.00 N ATOM 177 CA MET A 15 -4.518 4.982 -7.630 1.00 0.00 C ATOM 178 C MET A 15 -4.830 5.268 -6.163 1.00 0.00 C ATOM 179 O MET A 15 -4.033 4.963 -5.276 1.00 0.00 O ATOM 180 CB MET A 15 -3.329 4.025 -7.735 1.00 0.00 C ATOM 181 CG MET A 15 -3.379 3.126 -8.959 1.00 0.00 C ATOM 182 SD MET A 15 -4.506 1.733 -8.752 1.00 0.00 S ATOM 183 CE MET A 15 -4.610 1.130 -10.436 1.00 0.00 C ATOM 0 H MET A 15 -3.359 6.668 -8.090 1.00 0.00 H new ATOM 0 HA MET A 15 -5.392 4.515 -8.084 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.407 4.606 -7.758 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.292 3.404 -6.840 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.688 3.713 -9.824 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.378 2.750 -9.170 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.273 0.266 -10.473 1.00 0.00 H new ATOM 0 HE2 MET A 15 -5.003 1.917 -11.081 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.617 0.840 -10.781 1.00 0.00 H new ATOM 193 N ASN A 16 -5.997 5.856 -5.918 1.00 0.00 N ATOM 194 CA ASN A 16 -6.417 6.184 -4.560 1.00 0.00 C ATOM 195 C ASN A 16 -7.910 5.929 -4.377 1.00 0.00 C ATOM 196 O ASN A 16 -8.709 6.865 -4.346 1.00 0.00 O ATOM 197 CB ASN A 16 -6.092 7.644 -4.242 1.00 0.00 C ATOM 198 CG ASN A 16 -4.706 7.812 -3.652 1.00 0.00 C ATOM 199 OD1 ASN A 16 -4.539 7.859 -2.433 1.00 0.00 O ATOM 200 ND2 ASN A 16 -3.701 7.905 -4.516 1.00 0.00 N ATOM 0 H ASN A 16 -6.668 6.115 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.870 5.541 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.171 8.238 -5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.831 8.034 -3.543 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.746 8.020 -4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.885 7.861 -5.518 1.00 0.00 H new ATOM 207 N PHE A 17 -8.277 4.659 -4.257 1.00 0.00 N ATOM 208 CA PHE A 17 -9.675 4.281 -4.077 1.00 0.00 C ATOM 209 C PHE A 17 -10.046 4.260 -2.598 1.00 0.00 C ATOM 210 O PHE A 17 -9.482 3.493 -1.817 1.00 0.00 O ATOM 211 CB PHE A 17 -9.939 2.911 -4.701 1.00 0.00 C ATOM 212 CG PHE A 17 -9.658 2.857 -6.176 1.00 0.00 C ATOM 213 CD1 PHE A 17 -8.355 2.820 -6.646 1.00 0.00 C ATOM 214 CD2 PHE A 17 -10.698 2.844 -7.093 1.00 0.00 C ATOM 215 CE1 PHE A 17 -8.093 2.770 -8.001 1.00 0.00 C ATOM 216 CE2 PHE A 17 -10.442 2.795 -8.450 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.138 2.758 -8.905 1.00 0.00 C ATOM 0 H PHE A 17 -7.627 3.873 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.294 5.025 -4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.324 2.166 -4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.980 2.637 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.534 2.830 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.719 2.872 -6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.073 2.740 -8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.261 2.786 -9.154 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.936 2.720 -9.965 1.00 0.00 H new ATOM 227 N THR A 18 -10.998 5.107 -2.220 1.00 0.00 N ATOM 228 CA THR A 18 -11.444 5.185 -0.834 1.00 0.00 C ATOM 229 C THR A 18 -12.048 3.860 -0.381 1.00 0.00 C ATOM 230 O THR A 18 -12.108 2.899 -1.148 1.00 0.00 O ATOM 231 CB THR A 18 -12.470 6.308 -0.669 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.567 6.119 -1.545 1.00 0.00 O ATOM 233 CG2 THR A 18 -11.898 7.684 -0.940 1.00 0.00 C ATOM 0 H THR A 18 -11.475 5.748 -2.854 1.00 0.00 H new ATOM 0 HA THR A 18 -10.576 5.400 -0.211 1.00 0.00 H new ATOM 0 HB THR A 18 -12.785 6.261 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.212 6.846 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.677 8.435 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.080 7.881 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.525 7.728 -1.963 1.00 0.00 H new ATOM 241 N GLU A 19 -12.495 3.816 0.870 1.00 0.00 N ATOM 242 CA GLU A 19 -13.095 2.608 1.425 1.00 0.00 C ATOM 243 C GLU A 19 -14.350 2.219 0.649 1.00 0.00 C ATOM 244 O GLU A 19 -14.557 1.047 0.334 1.00 0.00 O ATOM 245 CB GLU A 19 -13.434 2.817 2.903 1.00 0.00 C ATOM 246 CG GLU A 19 -12.843 1.758 3.818 1.00 0.00 C ATOM 247 CD GLU A 19 -11.396 2.038 4.175 1.00 0.00 C ATOM 248 OE1 GLU A 19 -10.536 1.960 3.273 1.00 0.00 O ATOM 249 OE2 GLU A 19 -11.124 2.336 5.358 1.00 0.00 O ATOM 0 H GLU A 19 -12.453 4.602 1.518 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.372 1.797 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.073 3.797 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.518 2.824 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.434 1.701 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.912 0.784 3.333 1.00 0.00 H new ATOM 256 N GLU A 20 -15.182 3.209 0.345 1.00 0.00 N ATOM 257 CA GLU A 20 -16.417 2.970 -0.394 1.00 0.00 C ATOM 258 C GLU A 20 -16.118 2.497 -1.813 1.00 0.00 C ATOM 259 O GLU A 20 -16.735 1.552 -2.306 1.00 0.00 O ATOM 260 CB GLU A 20 -17.265 4.242 -0.437 1.00 0.00 C ATOM 261 CG GLU A 20 -17.890 4.602 0.901 1.00 0.00 C ATOM 262 CD GLU A 20 -19.335 4.156 1.007 1.00 0.00 C ATOM 263 OE1 GLU A 20 -19.656 3.058 0.508 1.00 0.00 O ATOM 264 OE2 GLU A 20 -20.147 4.906 1.589 1.00 0.00 O ATOM 0 H GLU A 20 -15.024 4.184 0.599 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.974 2.188 0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.643 5.072 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.056 4.116 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -17.312 4.143 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.835 5.681 1.045 1.00 0.00 H new ATOM 271 N GLU A 21 -15.168 3.159 -2.464 1.00 0.00 N ATOM 272 CA GLU A 21 -14.787 2.807 -3.827 1.00 0.00 C ATOM 273 C GLU A 21 -14.143 1.425 -3.873 1.00 0.00 C ATOM 274 O GLU A 21 -14.256 0.709 -4.868 1.00 0.00 O ATOM 275 CB GLU A 21 -13.826 3.854 -4.396 1.00 0.00 C ATOM 276 CG GLU A 21 -14.442 4.713 -5.488 1.00 0.00 C ATOM 277 CD GLU A 21 -13.487 4.968 -6.638 1.00 0.00 C ATOM 278 OE1 GLU A 21 -12.461 5.644 -6.419 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.766 4.489 -7.758 1.00 0.00 O ATOM 0 H GLU A 21 -14.647 3.943 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.690 2.785 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.484 4.499 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.946 3.349 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.339 4.224 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.755 5.666 -5.062 1.00 0.00 H new ATOM 286 N TRP A 22 -13.466 1.056 -2.790 1.00 0.00 N ATOM 287 CA TRP A 22 -12.802 -0.240 -2.707 1.00 0.00 C ATOM 288 C TRP A 22 -13.805 -1.378 -2.867 1.00 0.00 C ATOM 289 O TRP A 22 -13.466 -2.451 -3.366 1.00 0.00 O ATOM 290 CB TRP A 22 -12.068 -0.378 -1.372 1.00 0.00 C ATOM 291 CG TRP A 22 -11.144 -1.556 -1.323 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.294 -2.684 -0.570 1.00 0.00 C ATOM 293 CD2 TRP A 22 -9.927 -1.723 -2.059 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.244 -3.542 -0.792 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.391 -2.974 -1.702 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.238 -0.934 -2.984 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.200 -3.455 -2.239 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.055 -1.412 -3.517 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.547 -2.662 -3.144 1.00 0.00 C ATOM 0 H TRP A 22 -13.363 1.636 -1.958 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.078 -0.300 -3.520 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.497 0.531 -1.184 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.801 -0.466 -0.570 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.118 -2.875 0.102 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.120 -4.453 -0.351 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.623 0.032 -3.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.806 -4.419 -1.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.514 -0.811 -4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.621 -3.008 -3.579 1.00 0.00 H new ATOM 310 N ASP A 23 -15.040 -1.137 -2.439 1.00 0.00 N ATOM 311 CA ASP A 23 -16.092 -2.143 -2.534 1.00 0.00 C ATOM 312 C ASP A 23 -16.654 -2.213 -3.951 1.00 0.00 C ATOM 313 O ASP A 23 -17.159 -3.251 -4.378 1.00 0.00 O ATOM 314 CB ASP A 23 -17.212 -1.833 -1.539 1.00 0.00 C ATOM 315 CG ASP A 23 -17.592 -3.039 -0.702 1.00 0.00 C ATOM 316 OD1 ASP A 23 -18.141 -4.006 -1.270 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.340 -3.017 0.522 1.00 0.00 O ATOM 0 H ASP A 23 -15.337 -0.254 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.658 -3.112 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.896 -1.023 -0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.089 -1.480 -2.082 1.00 0.00 H new ATOM 322 N LEU A 24 -16.565 -1.101 -4.676 1.00 0.00 N ATOM 323 CA LEU A 24 -17.066 -1.039 -6.044 1.00 0.00 C ATOM 324 C LEU A 24 -15.952 -1.304 -7.052 1.00 0.00 C ATOM 325 O LEU A 24 -16.065 -0.946 -8.224 1.00 0.00 O ATOM 326 CB LEU A 24 -17.695 0.329 -6.315 1.00 0.00 C ATOM 327 CG LEU A 24 -18.518 0.904 -5.161 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.534 2.423 -5.222 1.00 0.00 C ATOM 329 CD2 LEU A 24 -19.935 0.351 -5.192 1.00 0.00 C ATOM 0 H LEU A 24 -16.151 -0.232 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.824 -1.814 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.901 1.034 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.335 0.250 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.053 0.605 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.124 2.814 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.514 2.801 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.975 2.745 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.507 0.770 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.410 0.621 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -19.904 -0.735 -5.099 1.00 0.00 H new ATOM 341 N LEU A 25 -14.874 -1.933 -6.593 1.00 0.00 N ATOM 342 CA LEU A 25 -13.743 -2.244 -7.460 1.00 0.00 C ATOM 343 C LEU A 25 -13.764 -3.711 -7.877 1.00 0.00 C ATOM 344 O LEU A 25 -14.331 -4.556 -7.184 1.00 0.00 O ATOM 345 CB LEU A 25 -12.427 -1.921 -6.752 1.00 0.00 C ATOM 346 CG LEU A 25 -11.961 -0.469 -6.879 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.714 -0.234 -6.042 1.00 0.00 C ATOM 348 CD2 LEU A 25 -11.704 -0.117 -8.339 1.00 0.00 C ATOM 0 H LEU A 25 -14.760 -2.237 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.825 -1.630 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.533 -2.161 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.649 -2.572 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.751 0.181 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.397 0.804 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.933 -0.445 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.916 -0.893 -6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.373 0.919 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.932 -0.773 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.623 -0.245 -8.911 1.00 0.00 H new ATOM 360 N ASP A 26 -13.145 -4.007 -9.015 1.00 0.00 N ATOM 361 CA ASP A 26 -13.093 -5.371 -9.524 1.00 0.00 C ATOM 362 C ASP A 26 -11.860 -6.101 -9.003 1.00 0.00 C ATOM 363 O ASP A 26 -11.017 -5.512 -8.326 1.00 0.00 O ATOM 364 CB ASP A 26 -13.088 -5.367 -11.054 1.00 0.00 C ATOM 365 CG ASP A 26 -14.305 -4.674 -11.634 1.00 0.00 C ATOM 366 OD1 ASP A 26 -14.668 -3.590 -11.129 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.895 -5.213 -12.593 1.00 0.00 O ATOM 0 H ASP A 26 -12.672 -3.320 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.980 -5.897 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.186 -4.870 -11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.051 -6.394 -11.417 1.00 0.00 H new ATOM 372 N SER A 27 -11.761 -7.388 -9.323 1.00 0.00 N ATOM 373 CA SER A 27 -10.629 -8.198 -8.887 1.00 0.00 C ATOM 374 C SER A 27 -9.320 -7.654 -9.452 1.00 0.00 C ATOM 375 O SER A 27 -8.284 -7.691 -8.789 1.00 0.00 O ATOM 376 CB SER A 27 -10.821 -9.654 -9.321 1.00 0.00 C ATOM 377 OG SER A 27 -10.533 -10.545 -8.258 1.00 0.00 O ATOM 0 H SER A 27 -12.450 -7.891 -9.882 1.00 0.00 H new ATOM 0 HA SER A 27 -10.579 -8.153 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.847 -9.804 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.172 -9.873 -10.169 1.00 0.00 H new ATOM 0 HG SER A 27 -10.665 -11.468 -8.560 1.00 0.00 H new ATOM 383 N SER A 28 -9.376 -7.150 -10.679 1.00 0.00 N ATOM 384 CA SER A 28 -8.196 -6.597 -11.334 1.00 0.00 C ATOM 385 C SER A 28 -7.750 -5.307 -10.652 1.00 0.00 C ATOM 386 O SER A 28 -6.561 -4.989 -10.621 1.00 0.00 O ATOM 387 CB SER A 28 -8.483 -6.334 -12.813 1.00 0.00 C ATOM 388 OG SER A 28 -8.127 -7.450 -13.610 1.00 0.00 O ATOM 0 H SER A 28 -10.226 -7.113 -11.241 1.00 0.00 H new ATOM 0 HA SER A 28 -7.391 -7.327 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.542 -6.111 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.928 -5.456 -13.143 1.00 0.00 H new ATOM 0 HG SER A 28 -8.322 -7.256 -14.551 1.00 0.00 H new ATOM 394 N GLN A 29 -8.711 -4.569 -10.108 1.00 0.00 N ATOM 395 CA GLN A 29 -8.418 -3.314 -9.426 1.00 0.00 C ATOM 396 C GLN A 29 -7.912 -3.571 -8.010 1.00 0.00 C ATOM 397 O GLN A 29 -6.975 -2.920 -7.546 1.00 0.00 O ATOM 398 CB GLN A 29 -9.665 -2.430 -9.379 1.00 0.00 C ATOM 399 CG GLN A 29 -10.406 -2.352 -10.704 1.00 0.00 C ATOM 400 CD GLN A 29 -9.794 -1.342 -11.656 1.00 0.00 C ATOM 401 OE1 GLN A 29 -9.172 -1.709 -12.653 1.00 0.00 O ATOM 402 NE2 GLN A 29 -9.968 -0.062 -11.351 1.00 0.00 N ATOM 0 H GLN A 29 -9.700 -4.818 -10.126 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.637 -2.800 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.342 -2.812 -8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.376 -1.424 -9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.406 -3.335 -11.174 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.447 -2.087 -10.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.491 0.196 -10.514 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.579 0.663 -11.953 1.00 0.00 H new ATOM 411 N LYS A 30 -8.538 -4.524 -7.329 1.00 0.00 N ATOM 412 CA LYS A 30 -8.156 -4.870 -5.966 1.00 0.00 C ATOM 413 C LYS A 30 -6.726 -5.406 -5.918 1.00 0.00 C ATOM 414 O LYS A 30 -6.031 -5.258 -4.914 1.00 0.00 O ATOM 415 CB LYS A 30 -9.123 -5.909 -5.396 1.00 0.00 C ATOM 416 CG LYS A 30 -10.179 -5.317 -4.477 1.00 0.00 C ATOM 417 CD LYS A 30 -11.170 -6.373 -4.017 1.00 0.00 C ATOM 418 CE LYS A 30 -12.365 -5.748 -3.314 1.00 0.00 C ATOM 419 NZ LYS A 30 -13.287 -6.779 -2.763 1.00 0.00 N ATOM 0 H LYS A 30 -9.314 -5.072 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.203 -3.965 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.617 -6.424 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.555 -6.659 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.697 -4.866 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.710 -4.520 -4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.513 -6.950 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.673 -7.070 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.015 -5.105 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.907 -5.113 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.088 -6.312 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.641 -7.377 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.777 -7.369 -2.075 1.00 0.00 H new ATOM 433 N ARG A 31 -6.296 -6.028 -7.011 1.00 0.00 N ATOM 434 CA ARG A 31 -4.950 -6.587 -7.091 1.00 0.00 C ATOM 435 C ARG A 31 -3.945 -5.529 -7.535 1.00 0.00 C ATOM 436 O ARG A 31 -2.828 -5.468 -7.022 1.00 0.00 O ATOM 437 CB ARG A 31 -4.924 -7.771 -8.061 1.00 0.00 C ATOM 438 CG ARG A 31 -3.893 -8.828 -7.701 1.00 0.00 C ATOM 439 CD ARG A 31 -3.256 -9.431 -8.943 1.00 0.00 C ATOM 440 NE ARG A 31 -1.832 -9.698 -8.753 1.00 0.00 N ATOM 441 CZ ARG A 31 -1.042 -10.211 -9.694 1.00 0.00 C ATOM 442 NH1 ARG A 31 -1.532 -10.512 -10.890 1.00 0.00 N ATOM 443 NH2 ARG A 31 0.241 -10.421 -9.439 1.00 0.00 N ATOM 0 H ARG A 31 -6.858 -6.158 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.669 -6.934 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.912 -8.232 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.719 -7.402 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.120 -8.385 -7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.367 -9.615 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.768 -10.359 -9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.388 -8.751 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.419 -9.479 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.519 -10.351 -11.092 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.922 -10.905 -11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.623 -10.190 -8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.847 -10.814 -10.160 1.00 0.00 H new ATOM 457 N LEU A 32 -4.348 -4.699 -8.491 1.00 0.00 N ATOM 458 CA LEU A 32 -3.482 -3.645 -9.002 1.00 0.00 C ATOM 459 C LEU A 32 -3.158 -2.631 -7.911 1.00 0.00 C ATOM 460 O LEU A 32 -2.034 -2.138 -7.820 1.00 0.00 O ATOM 461 CB LEU A 32 -4.148 -2.945 -10.187 1.00 0.00 C ATOM 462 CG LEU A 32 -4.009 -3.669 -11.526 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.200 -3.370 -12.421 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.710 -3.274 -12.212 1.00 0.00 C ATOM 0 H LEU A 32 -5.269 -4.736 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.549 -4.101 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.208 -2.820 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.723 -1.946 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.985 -4.742 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.083 -3.894 -13.370 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.115 -3.704 -11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.257 -2.297 -12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.627 -3.799 -13.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.704 -2.198 -12.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.866 -3.542 -11.576 1.00 0.00 H new ATOM 476 N TYR A 33 -4.151 -2.328 -7.085 1.00 0.00 N ATOM 477 CA TYR A 33 -3.975 -1.377 -5.995 1.00 0.00 C ATOM 478 C TYR A 33 -3.133 -1.982 -4.875 1.00 0.00 C ATOM 479 O TYR A 33 -2.483 -1.264 -4.116 1.00 0.00 O ATOM 480 CB TYR A 33 -5.335 -0.941 -5.446 1.00 0.00 C ATOM 481 CG TYR A 33 -5.257 0.226 -4.487 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.962 0.027 -3.145 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.479 1.526 -4.925 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.890 1.090 -2.265 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.410 2.594 -4.052 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.114 2.371 -2.723 1.00 0.00 C ATOM 487 OH TYR A 33 -5.044 3.432 -1.850 1.00 0.00 O ATOM 0 H TYR A 33 -5.087 -2.727 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.452 -0.505 -6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.984 -0.672 -6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.800 -1.786 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.786 -0.975 -2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.709 1.704 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.659 0.918 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.587 3.598 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.751 4.233 -2.332 1.00 0.00 H new ATOM 497 N GLU A 34 -3.150 -3.309 -4.780 1.00 0.00 N ATOM 498 CA GLU A 34 -2.389 -4.011 -3.754 1.00 0.00 C ATOM 499 C GLU A 34 -0.931 -4.177 -4.174 1.00 0.00 C ATOM 500 O GLU A 34 -0.035 -4.233 -3.333 1.00 0.00 O ATOM 501 CB GLU A 34 -3.011 -5.381 -3.477 1.00 0.00 C ATOM 502 CG GLU A 34 -4.039 -5.368 -2.358 1.00 0.00 C ATOM 503 CD GLU A 34 -3.978 -6.613 -1.495 1.00 0.00 C ATOM 504 OE1 GLU A 34 -2.872 -7.172 -1.337 1.00 0.00 O ATOM 505 OE2 GLU A 34 -5.036 -7.030 -0.978 1.00 0.00 O ATOM 0 H GLU A 34 -3.682 -3.918 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.419 -3.414 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.483 -5.747 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.219 -6.086 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.879 -4.489 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.037 -5.277 -2.787 1.00 0.00 H new ATOM 512 N GLU A 35 -0.703 -4.259 -5.481 1.00 0.00 N ATOM 513 CA GLU A 35 0.645 -4.421 -6.014 1.00 0.00 C ATOM 514 C GLU A 35 1.541 -3.258 -5.596 1.00 0.00 C ATOM 515 O GLU A 35 2.689 -3.457 -5.200 1.00 0.00 O ATOM 516 CB GLU A 35 0.604 -4.526 -7.539 1.00 0.00 C ATOM 517 CG GLU A 35 0.235 -5.910 -8.043 1.00 0.00 C ATOM 518 CD GLU A 35 0.932 -6.261 -9.344 1.00 0.00 C ATOM 519 OE1 GLU A 35 0.924 -5.420 -10.268 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.485 -7.376 -9.439 1.00 0.00 O ATOM 0 H GLU A 35 -1.434 -4.216 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 35 1.062 -5.341 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.115 -3.804 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.579 -4.250 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.494 -6.650 -7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.844 -5.965 -8.187 1.00 0.00 H new ATOM 527 N VAL A 36 1.008 -2.044 -5.688 1.00 0.00 N ATOM 528 CA VAL A 36 1.761 -0.850 -5.321 1.00 0.00 C ATOM 529 C VAL A 36 1.738 -0.625 -3.812 1.00 0.00 C ATOM 530 O VAL A 36 2.701 -0.121 -3.235 1.00 0.00 O ATOM 531 CB VAL A 36 1.206 0.404 -6.025 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.361 0.282 -7.532 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.250 0.632 -5.646 1.00 0.00 C ATOM 0 H VAL A 36 0.059 -1.861 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 36 2.789 -1.014 -5.645 1.00 0.00 H new ATOM 0 HB VAL A 36 1.781 1.268 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.964 1.176 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.417 0.174 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.814 -0.592 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.623 1.522 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.843 -0.232 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.328 0.770 -4.568 1.00 0.00 H new ATOM 543 N MET A 37 0.631 -1.001 -3.179 1.00 0.00 N ATOM 544 CA MET A 37 0.484 -0.839 -1.737 1.00 0.00 C ATOM 545 C MET A 37 1.547 -1.634 -0.987 1.00 0.00 C ATOM 546 O MET A 37 1.980 -1.242 0.097 1.00 0.00 O ATOM 547 CB MET A 37 -0.912 -1.285 -1.294 1.00 0.00 C ATOM 548 CG MET A 37 -1.923 -0.153 -1.240 1.00 0.00 C ATOM 549 SD MET A 37 -1.765 0.849 0.251 1.00 0.00 S ATOM 550 CE MET A 37 -2.518 -0.230 1.467 1.00 0.00 C ATOM 0 H MET A 37 -0.176 -1.419 -3.641 1.00 0.00 H new ATOM 0 HA MET A 37 0.614 0.217 -1.500 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.274 -2.052 -1.979 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.842 -1.745 -0.309 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.797 0.484 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.930 -0.568 -1.289 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.706 0.330 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.460 -0.616 1.077 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.846 -1.061 1.681 1.00 0.00 H new ATOM 560 N LEU A 38 1.967 -2.751 -1.572 1.00 0.00 N ATOM 561 CA LEU A 38 2.981 -3.601 -0.959 1.00 0.00 C ATOM 562 C LEU A 38 4.379 -3.045 -1.207 1.00 0.00 C ATOM 563 O LEU A 38 5.277 -3.207 -0.381 1.00 0.00 O ATOM 564 CB LEU A 38 2.881 -5.026 -1.505 1.00 0.00 C ATOM 565 CG LEU A 38 1.594 -5.769 -1.141 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.209 -6.740 -2.246 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.760 -6.502 0.182 1.00 0.00 C ATOM 0 H LEU A 38 1.621 -3.089 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 38 2.802 -3.619 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.967 -4.990 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.731 -5.601 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 38 0.792 -5.039 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.291 -7.260 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.050 -6.191 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.009 -7.467 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.836 -7.025 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.574 -7.222 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.990 -5.784 0.969 1.00 0.00 H new ATOM 579 N GLU A 39 4.557 -2.391 -2.350 1.00 0.00 N ATOM 580 CA GLU A 39 5.847 -1.811 -2.706 1.00 0.00 C ATOM 581 C GLU A 39 6.160 -0.603 -1.830 1.00 0.00 C ATOM 582 O GLU A 39 7.275 -0.457 -1.329 1.00 0.00 O ATOM 583 CB GLU A 39 5.856 -1.407 -4.183 1.00 0.00 C ATOM 584 CG GLU A 39 7.016 -2.000 -4.966 1.00 0.00 C ATOM 585 CD GLU A 39 7.075 -1.490 -6.393 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.000 -1.251 -6.983 1.00 0.00 O ATOM 587 OE2 GLU A 39 8.196 -1.331 -6.920 1.00 0.00 O ATOM 0 H GLU A 39 3.824 -2.249 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 39 6.617 -2.564 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.919 -1.721 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.898 -0.320 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.951 -1.762 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.926 -3.086 -4.975 1.00 0.00 H new ATOM 594 N THR A 40 5.167 0.263 -1.648 1.00 0.00 N ATOM 595 CA THR A 40 5.336 1.459 -0.832 1.00 0.00 C ATOM 596 C THR A 40 4.850 1.216 0.595 1.00 0.00 C ATOM 597 O THR A 40 4.129 2.035 1.164 1.00 0.00 O ATOM 598 CB THR A 40 4.578 2.635 -1.451 1.00 0.00 C ATOM 599 OG1 THR A 40 4.784 2.683 -2.851 1.00 0.00 O ATOM 600 CG2 THR A 40 4.985 3.976 -0.880 1.00 0.00 C ATOM 0 H THR A 40 4.238 0.158 -2.055 1.00 0.00 H new ATOM 0 HA THR A 40 6.398 1.700 -0.798 1.00 0.00 H new ATOM 0 HB THR A 40 3.529 2.460 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.290 3.440 -3.229 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.410 4.766 -1.362 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.791 3.989 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.048 4.140 -1.059 1.00 0.00 H new ATOM 608 N TYR A 41 5.253 0.086 1.166 1.00 0.00 N ATOM 609 CA TYR A 41 4.861 -0.266 2.526 1.00 0.00 C ATOM 610 C TYR A 41 5.780 -1.341 3.096 1.00 0.00 C ATOM 611 O TYR A 41 6.220 -1.251 4.242 1.00 0.00 O ATOM 612 CB TYR A 41 3.411 -0.752 2.552 1.00 0.00 C ATOM 613 CG TYR A 41 2.771 -0.679 3.920 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.263 -1.431 4.979 1.00 0.00 C ATOM 615 CD2 TYR A 41 1.676 0.144 4.152 1.00 0.00 C ATOM 616 CE1 TYR A 41 2.682 -1.367 6.231 1.00 0.00 C ATOM 617 CE2 TYR A 41 1.089 0.213 5.403 1.00 0.00 C ATOM 618 CZ TYR A 41 1.595 -0.544 6.437 1.00 0.00 C ATOM 619 OH TYR A 41 1.014 -0.476 7.683 1.00 0.00 O ATOM 0 H TYR A 41 5.851 -0.602 0.708 1.00 0.00 H new ATOM 0 HA TYR A 41 4.948 0.627 3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.824 -0.155 1.854 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.376 -1.782 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.114 -2.077 4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.277 0.739 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.077 -1.958 7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.238 0.857 5.568 1.00 0.00 H new ATOM 0 HH TYR A 41 0.261 0.150 7.659 1.00 0.00 H new ATOM 629 N GLN A 42 6.065 -2.357 2.290 1.00 0.00 N ATOM 630 CA GLN A 42 6.931 -3.451 2.714 1.00 0.00 C ATOM 631 C GLN A 42 8.401 -3.036 2.677 1.00 0.00 C ATOM 632 O GLN A 42 9.237 -3.627 3.358 1.00 0.00 O ATOM 633 CB GLN A 42 6.712 -4.677 1.824 1.00 0.00 C ATOM 634 CG GLN A 42 6.724 -5.991 2.588 1.00 0.00 C ATOM 635 CD GLN A 42 5.734 -6.997 2.033 1.00 0.00 C ATOM 636 OE1 GLN A 42 4.948 -7.586 2.774 1.00 0.00 O ATOM 637 NE2 GLN A 42 5.769 -7.198 0.720 1.00 0.00 N ATOM 0 H GLN A 42 5.709 -2.446 1.338 1.00 0.00 H new ATOM 0 HA GLN A 42 6.673 -3.704 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.758 -4.575 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.488 -4.704 1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.727 -6.417 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.493 -5.800 3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.438 -6.687 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.127 -7.863 0.289 1.00 0.00 H new ATOM 646 N ASN A 43 8.709 -2.018 1.879 1.00 0.00 N ATOM 647 CA ASN A 43 10.078 -1.531 1.757 1.00 0.00 C ATOM 648 C ASN A 43 10.309 -0.319 2.655 1.00 0.00 C ATOM 649 O ASN A 43 11.143 0.536 2.358 1.00 0.00 O ATOM 650 CB ASN A 43 10.386 -1.169 0.303 1.00 0.00 C ATOM 651 CG ASN A 43 10.345 -2.376 -0.612 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.373 -2.814 -1.129 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.151 -2.920 -0.820 1.00 0.00 N ATOM 0 H ASN A 43 8.030 -1.515 1.308 1.00 0.00 H new ATOM 0 HA ASN A 43 10.749 -2.329 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.666 -0.428 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.372 -0.707 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.060 -3.733 -1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.325 -2.524 -0.371 1.00 0.00 H new ATOM 660 N LEU A 44 9.566 -0.252 3.755 1.00 0.00 N ATOM 661 CA LEU A 44 9.691 0.854 4.698 1.00 0.00 C ATOM 662 C LEU A 44 10.125 0.351 6.070 1.00 0.00 C ATOM 663 O LEU A 44 9.664 0.846 7.099 1.00 0.00 O ATOM 664 CB LEU A 44 8.364 1.607 4.814 1.00 0.00 C ATOM 665 CG LEU A 44 7.669 1.906 3.484 1.00 0.00 C ATOM 666 CD1 LEU A 44 6.340 2.605 3.723 1.00 0.00 C ATOM 667 CD2 LEU A 44 8.567 2.752 2.594 1.00 0.00 C ATOM 0 H LEU A 44 8.870 -0.951 4.016 1.00 0.00 H new ATOM 0 HA LEU A 44 10.454 1.535 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.686 1.024 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.543 2.549 5.333 1.00 0.00 H new ATOM 0 HG LEU A 44 7.473 0.962 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.860 2.810 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.694 1.964 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.512 3.543 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.058 2.956 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.793 3.693 3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.494 2.214 2.396 1.00 0.00 H new ATOM 679 N THR A 45 11.015 -0.637 6.079 1.00 0.00 N ATOM 680 CA THR A 45 11.511 -1.209 7.325 1.00 0.00 C ATOM 681 C THR A 45 12.186 -0.147 8.186 1.00 0.00 C ATOM 682 O THR A 45 12.270 -0.284 9.407 1.00 0.00 O ATOM 683 CB THR A 45 12.490 -2.347 7.035 1.00 0.00 C ATOM 684 OG1 THR A 45 12.052 -3.116 5.929 1.00 0.00 O ATOM 685 CG2 THR A 45 12.676 -3.289 8.205 1.00 0.00 C ATOM 0 H THR A 45 11.407 -1.058 5.237 1.00 0.00 H new ATOM 0 HA THR A 45 10.658 -1.605 7.876 1.00 0.00 H new ATOM 0 HB THR A 45 13.443 -1.862 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.692 -3.838 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.383 -4.073 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.061 -2.735 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.718 -3.739 8.466 1.00 0.00 H new ATOM 693 N ASP A 46 12.667 0.909 7.543 1.00 0.00 N ATOM 694 CA ASP A 46 13.338 1.996 8.250 1.00 0.00 C ATOM 695 C ASP A 46 12.723 3.353 7.904 1.00 0.00 C ATOM 696 O ASP A 46 13.183 4.389 8.385 1.00 0.00 O ATOM 697 CB ASP A 46 14.830 2.002 7.914 1.00 0.00 C ATOM 698 CG ASP A 46 15.645 2.795 8.917 1.00 0.00 C ATOM 699 OD1 ASP A 46 15.235 2.862 10.094 1.00 0.00 O ATOM 700 OD2 ASP A 46 16.693 3.349 8.524 1.00 0.00 O ATOM 0 H ASP A 46 12.606 1.037 6.533 1.00 0.00 H new ATOM 0 HA ASP A 46 13.207 1.827 9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.197 0.976 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.974 2.423 6.919 1.00 0.00 H new ATOM 705 N ILE A 47 11.681 3.345 7.071 1.00 0.00 N ATOM 706 CA ILE A 47 11.006 4.576 6.668 1.00 0.00 C ATOM 707 C ILE A 47 12.011 5.667 6.296 1.00 0.00 C ATOM 708 O ILE A 47 11.826 6.839 6.628 1.00 0.00 O ATOM 709 CB ILE A 47 10.084 5.091 7.788 1.00 0.00 C ATOM 710 CG1 ILE A 47 9.164 3.970 8.274 1.00 0.00 C ATOM 711 CG2 ILE A 47 9.268 6.281 7.304 1.00 0.00 C ATOM 712 CD1 ILE A 47 9.663 3.280 9.526 1.00 0.00 C ATOM 0 H ILE A 47 11.287 2.497 6.663 1.00 0.00 H new ATOM 0 HA ILE A 47 10.405 4.339 5.790 1.00 0.00 H new ATOM 0 HB ILE A 47 10.702 5.419 8.624 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.173 4.381 8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.054 3.231 7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.622 6.631 8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.940 7.084 7.002 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.656 5.981 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.962 2.497 9.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.641 2.839 9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.746 4.007 10.334 1.00 0.00 H new ATOM 724 N GLY A 48 13.074 5.272 5.604 1.00 0.00 N ATOM 725 CA GLY A 48 14.091 6.226 5.199 1.00 0.00 C ATOM 726 C GLY A 48 15.021 6.599 6.337 1.00 0.00 C ATOM 727 O GLY A 48 16.226 6.357 6.266 1.00 0.00 O ATOM 0 H GLY A 48 13.250 4.309 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.674 5.805 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.609 7.126 4.817 1.00 0.00 H new ATOM 731 N TYR A 49 14.461 7.189 7.387 1.00 0.00 N ATOM 732 CA TYR A 49 15.248 7.596 8.545 1.00 0.00 C ATOM 733 C TYR A 49 14.422 7.509 9.824 1.00 0.00 C ATOM 734 O TYR A 49 13.782 8.480 10.229 1.00 0.00 O ATOM 735 CB TYR A 49 15.770 9.021 8.358 1.00 0.00 C ATOM 736 CG TYR A 49 17.086 9.283 9.057 1.00 0.00 C ATOM 737 CD1 TYR A 49 17.272 8.920 10.385 1.00 0.00 C ATOM 738 CD2 TYR A 49 18.140 9.891 8.388 1.00 0.00 C ATOM 739 CE1 TYR A 49 18.472 9.157 11.027 1.00 0.00 C ATOM 740 CE2 TYR A 49 19.344 10.131 9.023 1.00 0.00 C ATOM 741 CZ TYR A 49 19.505 9.763 10.342 1.00 0.00 C ATOM 742 OH TYR A 49 20.702 10.000 10.978 1.00 0.00 O ATOM 0 H TYR A 49 13.465 7.396 7.460 1.00 0.00 H new ATOM 0 HA TYR A 49 16.094 6.915 8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.889 9.218 7.293 1.00 0.00 H new ATOM 0 HB3 TYR A 49 15.025 9.723 8.731 1.00 0.00 H new ATOM 0 HD1 TYR A 49 16.466 8.445 10.924 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.017 10.181 7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 49 18.601 8.869 12.060 1.00 0.00 H new ATOM 0 HE2 TYR A 49 20.155 10.604 8.489 1.00 0.00 H new ATOM 0 HH TYR A 49 21.323 10.432 10.355 1.00 0.00 H new ATOM 752 N ASN A 50 14.440 6.340 10.456 1.00 0.00 N ATOM 753 CA ASN A 50 13.693 6.126 11.691 1.00 0.00 C ATOM 754 C ASN A 50 14.573 5.475 12.752 1.00 0.00 C ATOM 755 O ASN A 50 14.744 4.256 12.767 1.00 0.00 O ATOM 756 CB ASN A 50 12.461 5.258 11.421 1.00 0.00 C ATOM 757 CG ASN A 50 11.176 5.917 11.882 1.00 0.00 C ATOM 758 OD1 ASN A 50 10.413 6.447 11.074 1.00 0.00 O ATOM 759 ND2 ASN A 50 10.930 5.889 13.187 1.00 0.00 N ATOM 0 H ASN A 50 14.964 5.526 10.134 1.00 0.00 H new ATOM 0 HA ASN A 50 13.367 7.096 12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.395 5.048 10.354 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.577 4.300 11.928 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.081 6.318 13.555 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.590 5.439 13.821 1.00 0.00 H new ATOM 766 N TRP A 51 15.127 6.295 13.638 1.00 0.00 N ATOM 767 CA TRP A 51 15.991 5.798 14.705 1.00 0.00 C ATOM 768 C TRP A 51 15.207 5.603 16.001 1.00 0.00 C ATOM 769 O TRP A 51 15.788 5.566 17.086 1.00 0.00 O ATOM 770 CB TRP A 51 17.151 6.767 14.940 1.00 0.00 C ATOM 771 CG TRP A 51 16.703 8.144 15.320 1.00 0.00 C ATOM 772 CD1 TRP A 51 16.313 9.143 14.474 1.00 0.00 C ATOM 773 CD2 TRP A 51 16.599 8.677 16.645 1.00 0.00 C ATOM 774 NE1 TRP A 51 15.972 10.262 15.192 1.00 0.00 N ATOM 775 CE2 TRP A 51 16.139 10.003 16.526 1.00 0.00 C ATOM 776 CE3 TRP A 51 16.848 8.162 17.920 1.00 0.00 C ATOM 777 CZ2 TRP A 51 15.924 10.818 17.635 1.00 0.00 C ATOM 778 CZ3 TRP A 51 16.634 8.972 19.019 1.00 0.00 C ATOM 779 CH2 TRP A 51 16.177 10.288 18.870 1.00 0.00 C ATOM 0 H TRP A 51 14.994 7.306 13.640 1.00 0.00 H new ATOM 0 HA TRP A 51 16.387 4.831 14.395 1.00 0.00 H new ATOM 0 HB2 TRP A 51 17.793 6.371 15.727 1.00 0.00 H new ATOM 0 HB3 TRP A 51 17.756 6.826 14.035 1.00 0.00 H new ATOM 0 HD1 TRP A 51 16.278 9.064 13.397 1.00 0.00 H new ATOM 0 HE1 TRP A 51 15.647 11.144 14.796 1.00 0.00 H new ATOM 0 HE3 TRP A 51 17.201 7.149 18.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 15.570 11.832 17.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 16.822 8.584 20.009 1.00 0.00 H new ATOM 0 HH2 TRP A 51 16.021 10.896 19.749 1.00 0.00 H new ATOM 790 N GLN A 52 13.889 5.478 15.882 1.00 0.00 N ATOM 791 CA GLN A 52 13.033 5.286 17.048 1.00 0.00 C ATOM 792 C GLN A 52 12.683 3.811 17.229 1.00 0.00 C ATOM 793 O GLN A 52 11.555 3.394 16.968 1.00 0.00 O ATOM 794 CB GLN A 52 11.754 6.113 16.909 1.00 0.00 C ATOM 795 CG GLN A 52 11.981 7.610 17.042 1.00 0.00 C ATOM 796 CD GLN A 52 10.738 8.419 16.725 1.00 0.00 C ATOM 797 OE1 GLN A 52 10.247 9.178 17.561 1.00 0.00 O ATOM 798 NE2 GLN A 52 10.222 8.259 15.512 1.00 0.00 N ATOM 0 H GLN A 52 13.391 5.506 14.992 1.00 0.00 H new ATOM 0 HA GLN A 52 13.580 5.622 17.929 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.302 5.907 15.939 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.040 5.793 17.668 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.308 7.835 18.057 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.787 7.912 16.373 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.662 7.619 14.851 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.385 8.776 15.241 1.00 0.00 H new ATOM 807 N ASP A 53 13.658 3.028 17.676 1.00 0.00 N ATOM 808 CA ASP A 53 13.454 1.600 17.891 1.00 0.00 C ATOM 809 C ASP A 53 12.854 1.338 19.270 1.00 0.00 C ATOM 810 O ASP A 53 13.507 0.768 20.145 1.00 0.00 O ATOM 811 CB ASP A 53 14.777 0.845 17.743 1.00 0.00 C ATOM 812 CG ASP A 53 14.587 -0.660 17.751 1.00 0.00 C ATOM 813 OD1 ASP A 53 14.293 -1.215 18.830 1.00 0.00 O ATOM 814 OD2 ASP A 53 14.735 -1.282 16.678 1.00 0.00 O ATOM 0 H ASP A 53 14.598 3.358 17.897 1.00 0.00 H new ATOM 0 HA ASP A 53 12.754 1.240 17.136 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.260 1.143 16.812 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.447 1.128 18.555 1.00 0.00 H new ATOM 819 N HIS A 54 11.607 1.756 19.456 1.00 0.00 N ATOM 820 CA HIS A 54 10.918 1.566 20.727 1.00 0.00 C ATOM 821 C HIS A 54 9.408 1.687 20.554 1.00 0.00 C ATOM 822 O HIS A 54 8.697 2.086 21.478 1.00 0.00 O ATOM 823 CB HIS A 54 11.410 2.588 21.755 1.00 0.00 C ATOM 824 CG HIS A 54 11.104 4.005 21.384 1.00 0.00 C ATOM 825 ND1 HIS A 54 10.823 4.983 22.315 1.00 0.00 N ATOM 826 CD2 HIS A 54 11.034 4.611 20.174 1.00 0.00 C ATOM 827 CE1 HIS A 54 10.594 6.127 21.694 1.00 0.00 C ATOM 828 NE2 HIS A 54 10.716 5.927 20.396 1.00 0.00 N ATOM 0 H HIS A 54 11.052 2.229 18.742 1.00 0.00 H new ATOM 0 HA HIS A 54 11.143 0.562 21.086 1.00 0.00 H new ATOM 0 HB2 HIS A 54 10.955 2.368 22.721 1.00 0.00 H new ATOM 0 HB3 HIS A 54 12.487 2.478 21.878 1.00 0.00 H new ATOM 0 HD2 HIS A 54 11.198 4.145 19.214 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.349 7.066 22.169 1.00 0.00 H new ATOM 0 HE2 HIS A 54 10.594 6.637 19.674 1.00 0.00 H new ATOM 836 N HIS A 55 8.921 1.340 19.366 1.00 0.00 N ATOM 837 CA HIS A 55 7.494 1.410 19.071 1.00 0.00 C ATOM 838 C HIS A 55 6.943 2.806 19.352 1.00 0.00 C ATOM 839 O HIS A 55 6.356 3.052 20.406 1.00 0.00 O ATOM 840 CB HIS A 55 6.730 0.369 19.893 1.00 0.00 C ATOM 841 CG HIS A 55 6.155 -0.740 19.068 1.00 0.00 C ATOM 842 ND1 HIS A 55 6.932 -1.662 18.399 1.00 0.00 N ATOM 843 CD2 HIS A 55 4.869 -1.074 18.805 1.00 0.00 C ATOM 844 CE1 HIS A 55 6.150 -2.514 17.760 1.00 0.00 C ATOM 845 NE2 HIS A 55 4.895 -2.179 17.990 1.00 0.00 N ATOM 0 H HIS A 55 9.495 1.007 18.591 1.00 0.00 H new ATOM 0 HA HIS A 55 7.358 1.196 18.011 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.400 -0.055 20.640 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.923 0.865 20.433 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.988 -0.566 19.168 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.482 -3.343 17.153 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.076 -2.663 17.622 1.00 0.00 H new ATOM 853 N ILE A 56 7.138 3.715 18.403 1.00 0.00 N ATOM 854 CA ILE A 56 6.661 5.085 18.547 1.00 0.00 C ATOM 855 C ILE A 56 5.367 5.302 17.767 1.00 0.00 C ATOM 856 O ILE A 56 5.360 5.267 16.536 1.00 0.00 O ATOM 857 CB ILE A 56 7.719 6.102 18.071 1.00 0.00 C ATOM 858 CG1 ILE A 56 7.246 7.535 18.343 1.00 0.00 C ATOM 859 CG2 ILE A 56 8.022 5.906 16.591 1.00 0.00 C ATOM 860 CD1 ILE A 56 8.065 8.251 19.395 1.00 0.00 C ATOM 0 H ILE A 56 7.623 3.528 17.526 1.00 0.00 H new ATOM 0 HA ILE A 56 6.470 5.245 19.608 1.00 0.00 H new ATOM 0 HB ILE A 56 8.638 5.933 18.632 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.284 8.104 17.414 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.203 7.511 18.660 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.770 6.632 16.274 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.403 4.898 16.428 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.110 6.048 16.011 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.675 9.259 19.536 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.007 7.704 20.336 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.104 8.306 19.071 1.00 0.00 H new ATOM 872 N GLU A 57 4.275 5.524 18.491 1.00 0.00 N ATOM 873 CA GLU A 57 2.976 5.745 17.867 1.00 0.00 C ATOM 874 C GLU A 57 2.875 7.160 17.305 1.00 0.00 C ATOM 875 O GLU A 57 2.449 7.357 16.167 1.00 0.00 O ATOM 876 CB GLU A 57 1.854 5.504 18.879 1.00 0.00 C ATOM 877 CG GLU A 57 0.625 4.844 18.277 1.00 0.00 C ATOM 878 CD GLU A 57 -0.516 5.819 18.064 1.00 0.00 C ATOM 879 OE1 GLU A 57 -0.358 6.747 17.242 1.00 0.00 O ATOM 880 OE2 GLU A 57 -1.567 5.657 18.718 1.00 0.00 O ATOM 0 H GLU A 57 4.264 5.556 19.510 1.00 0.00 H new ATOM 0 HA GLU A 57 2.871 5.039 17.043 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.233 4.879 19.687 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.564 6.457 19.322 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.892 4.389 17.323 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.292 4.039 18.932 1.00 0.00 H new ATOM 887 N GLU A 58 3.270 8.140 18.111 1.00 0.00 N ATOM 888 CA GLU A 58 3.223 9.537 17.693 1.00 0.00 C ATOM 889 C GLU A 58 4.578 9.991 17.158 1.00 0.00 C ATOM 890 O GLU A 58 5.487 10.304 17.927 1.00 0.00 O ATOM 891 CB GLU A 58 2.797 10.428 18.862 1.00 0.00 C ATOM 892 CG GLU A 58 1.817 11.520 18.469 1.00 0.00 C ATOM 893 CD GLU A 58 2.130 12.849 19.127 1.00 0.00 C ATOM 894 OE1 GLU A 58 3.176 13.446 18.794 1.00 0.00 O ATOM 895 OE2 GLU A 58 1.330 13.294 19.977 1.00 0.00 O ATOM 0 H GLU A 58 3.626 7.993 19.056 1.00 0.00 H new ATOM 0 HA GLU A 58 2.489 9.626 16.892 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.345 9.807 19.635 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.683 10.887 19.300 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.831 11.643 17.386 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.808 11.213 18.742 1.00 0.00 H new ATOM 902 N SER A 59 4.705 10.024 15.836 1.00 0.00 N ATOM 903 CA SER A 59 5.950 10.439 15.198 1.00 0.00 C ATOM 904 C SER A 59 5.692 11.528 14.160 1.00 0.00 C ATOM 905 O SER A 59 4.958 11.317 13.195 1.00 0.00 O ATOM 906 CB SER A 59 6.634 9.242 14.538 1.00 0.00 C ATOM 907 OG SER A 59 6.044 8.944 13.284 1.00 0.00 O ATOM 0 H SER A 59 3.962 9.769 15.185 1.00 0.00 H new ATOM 0 HA SER A 59 6.606 10.843 15.968 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.695 9.454 14.403 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.564 8.373 15.192 1.00 0.00 H new ATOM 0 HG SER A 59 5.368 9.621 13.071 1.00 0.00 H new ATOM 913 N GLY A 60 6.301 12.691 14.367 1.00 0.00 N ATOM 914 CA GLY A 60 6.125 13.794 13.441 1.00 0.00 C ATOM 915 C GLY A 60 7.338 14.704 13.384 1.00 0.00 C ATOM 916 O GLY A 60 7.223 15.908 13.611 1.00 0.00 O ATOM 0 H GLY A 60 6.913 12.889 15.159 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.924 13.399 12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.252 14.376 13.736 1.00 0.00 H new ATOM 920 N PRO A 61 8.526 14.151 13.084 1.00 0.00 N ATOM 921 CA PRO A 61 9.764 14.929 13.000 1.00 0.00 C ATOM 922 C PRO A 61 9.623 16.153 12.103 1.00 0.00 C ATOM 923 O PRO A 61 9.597 17.286 12.580 1.00 0.00 O ATOM 924 CB PRO A 61 10.785 13.948 12.401 1.00 0.00 C ATOM 925 CG PRO A 61 9.995 12.760 11.952 1.00 0.00 C ATOM 926 CD PRO A 61 8.758 12.731 12.800 1.00 0.00 C ATOM 0 HA PRO A 61 10.054 15.317 13.976 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.319 14.401 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.533 13.663 13.140 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.740 12.840 10.895 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.571 11.842 12.073 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.917 12.281 12.273 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.907 12.155 13.713 1.00 0.00 H new ATOM 934 N SER A 62 9.539 15.914 10.798 1.00 0.00 N ATOM 935 CA SER A 62 9.409 16.995 9.832 1.00 0.00 C ATOM 936 C SER A 62 8.191 17.862 10.139 1.00 0.00 C ATOM 937 O SER A 62 8.321 19.049 10.436 1.00 0.00 O ATOM 938 CB SER A 62 9.305 16.431 8.414 1.00 0.00 C ATOM 939 OG SER A 62 10.011 17.239 7.489 1.00 0.00 O ATOM 0 H SER A 62 9.559 14.981 10.387 1.00 0.00 H new ATOM 0 HA SER A 62 10.300 17.618 9.903 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.703 15.417 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.257 16.368 8.121 1.00 0.00 H new ATOM 0 HG SER A 62 9.930 16.855 6.591 1.00 0.00 H new ATOM 945 N SER A 63 7.009 17.260 10.065 1.00 0.00 N ATOM 946 CA SER A 63 5.767 17.976 10.335 1.00 0.00 C ATOM 947 C SER A 63 5.736 18.487 11.772 1.00 0.00 C ATOM 948 O SER A 63 6.687 18.295 12.530 1.00 0.00 O ATOM 949 CB SER A 63 4.563 17.070 10.078 1.00 0.00 C ATOM 950 OG SER A 63 4.386 16.837 8.691 1.00 0.00 O ATOM 0 H SER A 63 6.884 16.278 9.820 1.00 0.00 H new ATOM 0 HA SER A 63 5.717 18.832 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.702 16.120 10.595 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.664 17.529 10.490 1.00 0.00 H new ATOM 0 HG SER A 63 3.611 16.254 8.554 1.00 0.00 H new ATOM 956 N GLY A 64 4.637 19.139 12.138 1.00 0.00 N ATOM 957 CA GLY A 64 4.504 19.667 13.483 1.00 0.00 C ATOM 958 C GLY A 64 3.983 18.633 14.464 1.00 0.00 C ATOM 959 O GLY A 64 3.719 19.000 15.628 1.00 0.00 O ATOM 960 OXT GLY A 64 3.840 17.458 14.066 1.00 0.00 O ATOM 0 H GLY A 64 3.838 19.311 11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.473 20.031 13.824 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.829 20.523 13.469 1.00 0.00 H new TER 964 GLY A 64