USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 499 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 MET CE :methyl 176:sc= -0.41 (180deg=-0.42) USER MOD Set 2.1: A 14 CYS SG : rot 145:sc= 0.354 USER MOD Set 2.2: A 23 CYS SG : rot -22:sc= 0.948 USER MOD Set 2.3: A 26 CYS SG : rot -179:sc= -3.12! USER MOD Set 3.1: A 9 MET CE :methyl -166:sc=-0.00992 (180deg=0) USER MOD Set 3.2: A 11 GLN : amide:sc= 0.468 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0261 (180deg=0) USER MOD Single : A 2 SER OG : rot 167:sc= 0.229 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.342 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.551 USER MOD Single : A 16 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0424 (180deg=-0.359) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.0016) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= -0.116 USER MOD Single : A 51 THR OG1 : rot 51:sc= -1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.405 -10.058 -14.603 1.00100.00 N ATOM 2 CA GLY A 1 -11.622 -11.081 -13.886 1.00100.00 C ATOM 3 C GLY A 1 -10.578 -11.650 -14.788 1.00100.00 C ATOM 4 O GLY A 1 -10.789 -11.859 -15.984 1.00100.00 O ATOM 0 H1 GLY A 1 -13.413 -10.167 -14.372 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.084 -9.111 -14.316 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.271 -10.173 -15.628 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.153 -10.641 -13.006 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.281 -11.874 -13.533 1.00100.00 H new ATOM 10 N SER A 2 -9.399 -11.875 -14.169 1.00100.00 N ATOM 11 CA SER A 2 -8.261 -12.419 -14.853 1.00100.00 C ATOM 12 C SER A 2 -7.756 -13.593 -14.077 1.00100.00 C ATOM 13 O SER A 2 -7.943 -13.678 -12.856 1.00100.00 O ATOM 14 CB SER A 2 -7.105 -11.405 -15.040 1.00100.00 C ATOM 15 OG SER A 2 -6.635 -10.982 -13.778 1.00100.00 O ATOM 0 H SER A 2 -9.234 -11.677 -13.182 1.00100.00 H new ATOM 0 HA SER A 2 -8.593 -12.703 -15.852 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.294 -11.864 -15.606 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.451 -10.547 -15.617 1.00100.00 H new ATOM 0 HG SER A 2 -5.781 -10.514 -13.887 1.00100.00 H new ATOM 21 N THR A 3 -7.113 -14.541 -14.795 1.00100.00 N ATOM 22 CA THR A 3 -6.571 -15.718 -14.180 1.00100.00 C ATOM 23 C THR A 3 -5.215 -15.329 -13.666 1.00100.00 C ATOM 24 O THR A 3 -4.181 -15.500 -14.312 1.00100.00 O ATOM 25 CB THR A 3 -6.511 -16.908 -15.114 1.00100.00 C ATOM 26 OG1 THR A 3 -7.805 -17.177 -15.609 1.00100.00 O ATOM 27 CG2 THR A 3 -5.993 -18.139 -14.372 1.00100.00 C ATOM 0 H THR A 3 -6.969 -14.490 -15.804 1.00100.00 H new ATOM 0 HA THR A 3 -7.220 -16.055 -13.372 1.00100.00 H new ATOM 0 HB THR A 3 -5.835 -16.678 -15.937 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.770 -17.946 -16.216 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.955 -18.987 -15.056 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.993 -17.938 -13.988 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.661 -18.372 -13.542 1.00100.00 H new ATOM 35 N ALA A 4 -5.246 -14.728 -12.465 1.00100.00 N ATOM 36 CA ALA A 4 -4.088 -14.276 -11.764 1.00100.00 C ATOM 37 C ALA A 4 -4.013 -15.165 -10.573 1.00100.00 C ATOM 38 O ALA A 4 -5.037 -15.530 -9.983 1.00100.00 O ATOM 39 CB ALA A 4 -4.201 -12.823 -11.260 1.00100.00 C ATOM 0 H ALA A 4 -6.115 -14.550 -11.962 1.00100.00 H new ATOM 0 HA ALA A 4 -3.221 -14.305 -12.425 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.285 -12.547 -10.737 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.350 -12.154 -12.108 1.00100.00 H new ATOM 0 HB3 ALA A 4 -5.048 -12.739 -10.579 1.00100.00 H new ATOM 45 N MET A 5 -2.767 -15.541 -10.210 1.00100.00 N ATOM 46 CA MET A 5 -2.540 -16.403 -9.086 1.00100.00 C ATOM 47 C MET A 5 -3.005 -15.754 -7.815 1.00100.00 C ATOM 48 O MET A 5 -2.932 -14.530 -7.665 1.00100.00 O ATOM 49 CB MET A 5 -1.062 -16.844 -8.935 1.00100.00 C ATOM 50 CG MET A 5 -0.167 -15.711 -8.426 1.00100.00 C ATOM 51 SD MET A 5 -0.075 -14.251 -9.493 1.00100.00 S ATOM 52 CE MET A 5 1.029 -13.232 -8.481 1.00100.00 C ATOM 0 H MET A 5 -1.919 -15.248 -10.695 1.00100.00 H new ATOM 0 HA MET A 5 -3.124 -17.303 -9.279 1.00100.00 H new ATOM 0 HB2 MET A 5 -1.005 -17.687 -8.246 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.689 -17.194 -9.898 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.526 -15.400 -7.445 1.00100.00 H new ATOM 0 HG3 MET A 5 0.841 -16.102 -8.287 1.00100.00 H new ATOM 0 HE1 MET A 5 1.205 -12.280 -8.981 1.00100.00 H new ATOM 0 HE2 MET A 5 0.569 -13.052 -7.509 1.00100.00 H new ATOM 0 HE3 MET A 5 1.978 -13.750 -8.343 1.00100.00 H new ATOM 62 N ALA A 6 -3.829 -16.543 -7.087 1.00100.00 N ATOM 63 CA ALA A 6 -4.452 -16.200 -5.833 1.00100.00 C ATOM 64 C ALA A 6 -5.334 -14.973 -5.933 1.00100.00 C ATOM 65 O ALA A 6 -5.528 -14.251 -4.953 1.00100.00 O ATOM 66 CB ALA A 6 -3.427 -16.056 -4.680 1.00100.00 C ATOM 0 H ALA A 6 -4.076 -17.483 -7.395 1.00100.00 H new ATOM 0 HA ALA A 6 -5.100 -17.043 -5.590 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.949 -15.797 -3.759 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.897 -16.999 -4.544 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.712 -15.270 -4.925 1.00100.00 H new ATOM 72 N THR A 7 -5.903 -14.740 -7.149 1.00100.00 N ATOM 73 CA THR A 7 -6.783 -13.649 -7.498 1.00100.00 C ATOM 74 C THR A 7 -6.224 -12.291 -7.121 1.00100.00 C ATOM 75 O THR A 7 -6.926 -11.431 -6.584 1.00100.00 O ATOM 76 CB THR A 7 -8.219 -13.862 -7.047 1.00100.00 C ATOM 77 OG1 THR A 7 -8.281 -13.919 -5.639 1.00100.00 O ATOM 78 CG2 THR A 7 -8.768 -15.163 -7.633 1.00100.00 C ATOM 0 H THR A 7 -5.733 -15.360 -7.941 1.00100.00 H new ATOM 0 HA THR A 7 -6.829 -13.649 -8.587 1.00100.00 H new ATOM 0 HB THR A 7 -8.822 -13.026 -7.401 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.374 -13.875 -5.270 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.797 -15.305 -7.303 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.740 -15.112 -8.721 1.00100.00 H new ATOM 0 HG23 THR A 7 -8.159 -16.001 -7.293 1.00100.00 H new ATOM 86 N THR A 8 -4.910 -12.088 -7.397 1.00100.00 N ATOM 87 CA THR A 8 -4.214 -10.855 -7.102 1.00100.00 C ATOM 88 C THR A 8 -4.675 -9.816 -8.093 1.00100.00 C ATOM 89 O THR A 8 -4.852 -10.105 -9.280 1.00100.00 O ATOM 90 CB THR A 8 -2.707 -11.034 -7.139 1.00100.00 C ATOM 91 OG1 THR A 8 -2.340 -12.024 -6.203 1.00100.00 O ATOM 92 CG2 THR A 8 -1.988 -9.731 -6.794 1.00100.00 C ATOM 0 H THR A 8 -4.319 -12.795 -7.834 1.00100.00 H new ATOM 0 HA THR A 8 -4.450 -10.533 -6.088 1.00100.00 H new ATOM 0 HB THR A 8 -2.418 -11.331 -8.147 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.498 -12.912 -6.587 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.910 -9.890 -6.829 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.264 -8.961 -7.514 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.276 -9.411 -5.793 1.00100.00 H new ATOM 100 N MET A 9 -4.899 -8.574 -7.595 1.00100.00 N ATOM 101 CA MET A 9 -5.354 -7.493 -8.426 1.00100.00 C ATOM 102 C MET A 9 -4.160 -6.994 -9.191 1.00100.00 C ATOM 103 O MET A 9 -3.053 -6.883 -8.661 1.00100.00 O ATOM 104 CB MET A 9 -5.983 -6.328 -7.636 1.00100.00 C ATOM 105 CG MET A 9 -6.802 -5.465 -8.593 1.00100.00 C ATOM 106 SD MET A 9 -8.243 -6.335 -9.268 1.00100.00 S ATOM 107 CE MET A 9 -8.839 -5.080 -10.428 1.00100.00 C ATOM 0 H MET A 9 -4.764 -8.322 -6.616 1.00100.00 H new ATOM 0 HA MET A 9 -6.142 -7.869 -9.078 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.618 -6.713 -6.839 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.204 -5.730 -7.162 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.137 -4.569 -8.071 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.165 -5.136 -9.414 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.849 -5.333 -10.750 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.847 -4.106 -9.938 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.180 -5.044 -11.295 1.00100.00 H new ATOM 117 N GLU A 10 -4.354 -6.872 -10.518 1.00100.00 N ATOM 118 CA GLU A 10 -3.345 -6.461 -11.454 1.00100.00 C ATOM 119 C GLU A 10 -2.775 -5.087 -11.301 1.00100.00 C ATOM 120 O GLU A 10 -1.554 -4.947 -11.411 1.00100.00 O ATOM 121 CB GLU A 10 -3.808 -6.613 -12.911 1.00100.00 C ATOM 122 CG GLU A 10 -4.233 -8.055 -13.188 1.00100.00 C ATOM 123 CD GLU A 10 -4.647 -8.248 -14.643 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.137 -7.261 -15.236 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.471 -9.382 -15.135 1.00100.00 O ATOM 0 H GLU A 10 -5.252 -7.068 -10.960 1.00100.00 H new ATOM 0 HA GLU A 10 -2.540 -7.151 -11.203 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.641 -5.938 -13.107 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.002 -6.329 -13.587 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.410 -8.729 -12.951 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.063 -8.322 -12.534 1.00100.00 H new ATOM 132 N GLN A 11 -3.615 -4.057 -11.018 1.00100.00 N ATOM 133 CA GLN A 11 -3.082 -2.715 -10.915 1.00100.00 C ATOM 134 C GLN A 11 -2.250 -2.497 -9.690 1.00100.00 C ATOM 135 O GLN A 11 -2.369 -3.193 -8.677 1.00100.00 O ATOM 136 CB GLN A 11 -4.068 -1.517 -11.014 1.00100.00 C ATOM 137 CG GLN A 11 -5.149 -1.589 -9.937 1.00100.00 C ATOM 138 CD GLN A 11 -6.424 -2.236 -10.454 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.376 -3.233 -11.170 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.574 -1.664 -10.088 1.00100.00 N ATOM 0 H GLN A 11 -4.620 -4.144 -10.866 1.00100.00 H new ATOM 0 HA GLN A 11 -2.486 -2.701 -11.827 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.517 -0.582 -10.915 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.535 -1.509 -11.999 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.775 -2.156 -9.084 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.372 -0.584 -9.579 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.565 -0.836 -9.492 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.461 -2.055 -10.405 1.00100.00 H new ATOM 149 N GLU A 12 -1.374 -1.476 -9.797 1.00100.00 N ATOM 150 CA GLU A 12 -0.464 -1.098 -8.759 1.00100.00 C ATOM 151 C GLU A 12 -1.187 -0.232 -7.755 1.00100.00 C ATOM 152 O GLU A 12 -1.215 0.996 -7.834 1.00100.00 O ATOM 153 CB GLU A 12 0.793 -0.403 -9.332 1.00100.00 C ATOM 154 CG GLU A 12 1.482 -1.224 -10.420 1.00100.00 C ATOM 155 CD GLU A 12 2.833 -0.624 -10.787 1.00100.00 C ATOM 156 OE1 GLU A 12 2.961 0.617 -10.683 1.00100.00 O ATOM 157 OE2 GLU A 12 3.720 -1.418 -11.165 1.00100.00 O1- ATOM 0 H GLU A 12 -1.298 -0.897 -10.633 1.00100.00 H new ATOM 0 HA GLU A 12 -0.108 -1.994 -8.250 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.511 0.568 -9.740 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.499 -0.216 -8.523 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.617 -2.249 -10.075 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.847 -1.266 -11.305 1.00100.00 H new ATOM 164 N ILE A 13 -1.814 -0.927 -6.778 1.00100.00 N ATOM 165 CA ILE A 13 -2.601 -0.342 -5.720 1.00100.00 C ATOM 166 C ILE A 13 -1.915 0.169 -4.480 1.00100.00 C ATOM 167 O ILE A 13 -2.574 0.855 -3.694 1.00100.00 O ATOM 168 CB ILE A 13 -3.792 -1.200 -5.290 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.401 -2.587 -4.767 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.705 -1.409 -6.494 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.745 -2.531 -3.388 1.00100.00 C ATOM 0 H ILE A 13 -1.771 -1.945 -6.722 1.00100.00 H new ATOM 0 HA ILE A 13 -2.919 0.555 -6.251 1.00100.00 H new ATOM 0 HB ILE A 13 -4.278 -0.663 -4.475 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.290 -3.216 -4.717 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.716 -3.058 -5.472 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.559 -2.020 -6.201 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.057 -0.443 -6.856 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.152 -1.914 -7.286 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.489 -3.540 -3.066 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.840 -1.926 -3.440 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.438 -2.087 -2.673 1.00100.00 H new ATOM 183 N CYS A 14 -0.607 -0.122 -4.264 1.00100.00 N ATOM 184 CA CYS A 14 0.097 0.341 -3.080 1.00100.00 C ATOM 185 C CYS A 14 0.158 1.840 -3.096 1.00100.00 C ATOM 186 O CYS A 14 0.225 2.473 -4.153 1.00100.00 O ATOM 187 CB CYS A 14 1.510 -0.245 -2.854 1.00100.00 C ATOM 188 SG CYS A 14 2.161 0.227 -1.231 1.00100.00 S ATOM 0 H CYS A 14 -0.035 -0.675 -4.903 1.00100.00 H new ATOM 0 HA CYS A 14 -0.486 -0.033 -2.238 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.473 -1.332 -2.932 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.183 0.108 -3.636 1.00100.00 H new ATOM 0 HG CYS A 14 2.878 -0.745 -0.752 1.00100.00 H new ATOM 193 N ALA A 15 0.122 2.419 -1.876 1.00100.00 N ATOM 194 CA ALA A 15 0.102 3.838 -1.629 1.00100.00 C ATOM 195 C ALA A 15 1.297 4.549 -2.184 1.00100.00 C ATOM 196 O ALA A 15 1.143 5.625 -2.766 1.00100.00 O ATOM 197 CB ALA A 15 0.039 4.155 -0.126 1.00100.00 C ATOM 0 H ALA A 15 0.106 1.870 -1.016 1.00100.00 H new ATOM 0 HA ALA A 15 -0.796 4.192 -2.136 1.00100.00 H new ATOM 0 HB1 ALA A 15 0.026 5.235 0.018 1.00100.00 H new ATOM 0 HB2 ALA A 15 -0.866 3.721 0.300 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.912 3.734 0.372 1.00100.00 H new ATOM 203 N HIS A 16 2.499 3.951 -2.024 1.00100.00 N ATOM 204 CA HIS A 16 3.725 4.521 -2.514 1.00100.00 C ATOM 205 C HIS A 16 3.752 4.652 -4.013 1.00100.00 C ATOM 206 O HIS A 16 4.214 5.694 -4.480 1.00100.00 O ATOM 207 CB HIS A 16 4.965 3.752 -2.060 1.00100.00 C ATOM 208 CG HIS A 16 5.229 3.845 -0.586 1.00100.00 C ATOM 209 ND1 HIS A 16 4.487 3.257 0.413 1.00100.00 N ATOM 210 CD2 HIS A 16 6.269 4.514 0.002 1.00100.00 C ATOM 211 CE1 HIS A 16 5.076 3.574 1.581 1.00100.00 C ATOM 212 NE2 HIS A 16 6.163 4.337 1.383 1.00100.00 N ATOM 0 H HIS A 16 2.621 3.058 -1.547 1.00100.00 H new ATOM 0 HA HIS A 16 3.753 5.518 -2.074 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.851 2.703 -2.334 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.833 4.130 -2.600 1.00100.00 H new ATOM 0 HD2 HIS A 16 7.034 5.078 -0.511 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.721 3.256 2.550 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.786 4.712 2.098 1.00100.00 H new ATOM 219 N SER A 17 3.263 3.606 -4.763 1.00100.00 N ATOM 220 CA SER A 17 3.216 3.582 -6.220 1.00100.00 C ATOM 221 C SER A 17 2.999 2.202 -6.785 1.00100.00 C ATOM 222 O SER A 17 2.125 2.016 -7.628 1.00100.00 O ATOM 223 CB SER A 17 4.492 4.086 -6.960 1.00100.00 C ATOM 224 OG SER A 17 5.632 3.382 -6.516 1.00100.00 O ATOM 0 H SER A 17 2.891 2.756 -4.339 1.00100.00 H new ATOM 0 HA SER A 17 2.382 4.261 -6.397 1.00100.00 H new ATOM 0 HB2 SER A 17 4.372 3.954 -8.035 1.00100.00 H new ATOM 0 HB3 SER A 17 4.625 5.153 -6.783 1.00100.00 H new ATOM 0 HG SER A 17 6.424 3.709 -6.991 1.00100.00 H new ATOM 230 N MET A 18 3.774 1.206 -6.296 1.00100.00 N ATOM 231 CA MET A 18 3.747 -0.157 -6.782 1.00100.00 C ATOM 232 C MET A 18 2.637 -1.028 -6.263 1.00100.00 C ATOM 233 O MET A 18 1.585 -0.499 -5.923 1.00100.00 O ATOM 234 CB MET A 18 5.116 -0.839 -6.618 1.00100.00 C ATOM 235 CG MET A 18 6.254 -0.012 -7.202 1.00100.00 C ATOM 236 SD MET A 18 7.834 -0.893 -7.170 1.00100.00 S ATOM 237 CE MET A 18 8.874 0.354 -7.967 1.00100.00 C ATOM 0 H MET A 18 4.442 1.350 -5.538 1.00100.00 H new ATOM 0 HA MET A 18 3.518 -0.048 -7.842 1.00100.00 H new ATOM 0 HB2 MET A 18 5.306 -1.015 -5.559 1.00100.00 H new ATOM 0 HB3 MET A 18 5.093 -1.814 -7.105 1.00100.00 H new ATOM 0 HG2 MET A 18 6.013 0.258 -8.230 1.00100.00 H new ATOM 0 HG3 MET A 18 6.348 0.918 -6.642 1.00100.00 H new ATOM 0 HE1 MET A 18 9.897 -0.016 -8.036 1.00100.00 H new ATOM 0 HE2 MET A 18 8.494 0.559 -8.968 1.00100.00 H new ATOM 0 HE3 MET A 18 8.859 1.271 -7.378 1.00100.00 H new ATOM 247 N THR A 19 2.634 -2.312 -6.713 1.00100.00 N ATOM 248 CA THR A 19 1.657 -3.327 -6.372 1.00100.00 C ATOM 249 C THR A 19 1.877 -3.772 -4.931 1.00100.00 C ATOM 250 O THR A 19 2.912 -3.485 -4.330 1.00100.00 O ATOM 251 CB THR A 19 1.771 -4.509 -7.349 1.00100.00 C ATOM 252 OG1 THR A 19 1.595 -4.042 -8.665 1.00100.00 O ATOM 253 CG2 THR A 19 0.710 -5.581 -7.093 1.00100.00 C ATOM 0 H THR A 19 3.352 -2.660 -7.349 1.00100.00 H new ATOM 0 HA THR A 19 0.649 -2.920 -6.457 1.00100.00 H new ATOM 0 HB THR A 19 2.757 -4.950 -7.203 1.00100.00 H new ATOM 0 HG1 THR A 19 1.669 -4.792 -9.291 1.00100.00 H new ATOM 0 HG21 THR A 19 0.834 -6.394 -7.809 1.00100.00 H new ATOM 0 HG22 THR A 19 0.822 -5.969 -6.081 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.283 -5.145 -7.207 1.00100.00 H new ATOM 261 N PHE A 20 0.876 -4.473 -4.343 1.00100.00 N ATOM 262 CA PHE A 20 0.870 -5.016 -3.004 1.00100.00 C ATOM 263 C PHE A 20 2.025 -5.995 -2.889 1.00100.00 C ATOM 264 O PHE A 20 2.740 -6.009 -1.889 1.00100.00 O ATOM 265 CB PHE A 20 -0.487 -5.737 -2.806 1.00100.00 C ATOM 266 CG PHE A 20 -0.615 -6.377 -1.445 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.029 -5.609 -0.348 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.299 -7.731 -1.275 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.133 -6.199 0.918 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.403 -8.322 -0.009 1.00100.00 C ATOM 271 CZ PHE A 20 -0.821 -7.555 1.088 1.00100.00 C ATOM 0 H PHE A 20 0.008 -4.675 -4.840 1.00100.00 H new ATOM 0 HA PHE A 20 0.987 -4.244 -2.244 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.297 -5.021 -2.944 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.603 -6.501 -3.574 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.267 -4.564 -0.479 1.00100.00 H new ATOM 0 HD2 PHE A 20 0.025 -8.320 -2.120 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.454 -5.609 1.764 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.162 -9.367 0.122 1.00100.00 H new ATOM 0 HZ PHE A 20 -0.903 -8.009 2.064 1.00100.00 H new ATOM 281 N GLU A 21 2.220 -6.828 -3.931 1.00100.00 N ATOM 282 CA GLU A 21 3.274 -7.802 -4.049 1.00100.00 C ATOM 283 C GLU A 21 4.627 -7.115 -4.097 1.00100.00 C ATOM 284 O GLU A 21 5.591 -7.575 -3.491 1.00100.00 O ATOM 285 CB GLU A 21 3.039 -8.640 -5.318 1.00100.00 C ATOM 286 CG GLU A 21 4.039 -9.790 -5.417 1.00100.00 C ATOM 287 CD GLU A 21 3.715 -10.717 -6.586 1.00100.00 C ATOM 288 OE1 GLU A 21 2.760 -10.401 -7.329 1.00100.00 O ATOM 289 OE2 GLU A 21 4.432 -11.734 -6.713 1.00100.00 O1- ATOM 0 H GLU A 21 1.604 -6.823 -4.744 1.00100.00 H new ATOM 0 HA GLU A 21 3.267 -8.459 -3.179 1.00100.00 H new ATOM 0 HB2 GLU A 21 2.024 -9.037 -5.311 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.126 -8.003 -6.198 1.00100.00 H new ATOM 0 HG2 GLU A 21 5.045 -9.389 -5.538 1.00100.00 H new ATOM 0 HG3 GLU A 21 4.033 -10.360 -4.488 1.00100.00 H new ATOM 296 N GLU A 22 4.691 -5.963 -4.806 1.00100.00 N ATOM 297 CA GLU A 22 5.864 -5.146 -5.016 1.00100.00 C ATOM 298 C GLU A 22 6.017 -4.079 -3.956 1.00100.00 C ATOM 299 O GLU A 22 6.861 -3.187 -4.088 1.00100.00 O ATOM 300 CB GLU A 22 5.834 -4.471 -6.402 1.00100.00 C ATOM 301 CG GLU A 22 5.786 -5.503 -7.526 1.00100.00 C ATOM 302 CD GLU A 22 7.061 -6.334 -7.558 1.00100.00 C ATOM 303 OE1 GLU A 22 8.107 -5.749 -7.912 1.00100.00 O ATOM 304 OE2 GLU A 22 6.970 -7.536 -7.230 1.00100.00 O1- ATOM 0 H GLU A 22 3.867 -5.575 -5.265 1.00100.00 H new ATOM 0 HA GLU A 22 6.717 -5.822 -4.955 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.965 -3.816 -6.470 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.717 -3.843 -6.521 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.925 -6.157 -7.388 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.653 -4.998 -8.483 1.00100.00 H new ATOM 311 N CYS A 23 5.234 -4.172 -2.852 1.00100.00 N ATOM 312 CA CYS A 23 5.250 -3.232 -1.761 1.00100.00 C ATOM 313 C CYS A 23 6.606 -3.103 -1.101 1.00100.00 C ATOM 314 O CYS A 23 6.947 -1.960 -0.819 1.00100.00 O ATOM 315 CB CYS A 23 4.188 -3.516 -0.676 1.00100.00 C ATOM 316 SG CYS A 23 4.187 -2.174 0.539 1.00100.00 S ATOM 0 H CYS A 23 4.566 -4.931 -2.716 1.00100.00 H new ATOM 0 HA CYS A 23 5.002 -2.285 -2.241 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.202 -3.607 -1.133 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.401 -4.465 -0.184 1.00100.00 H new ATOM 0 HG CYS A 23 5.327 -1.550 0.497 1.00100.00 H new ATOM 322 N PRO A 24 7.437 -4.169 -0.827 1.00100.00 N ATOM 323 CA PRO A 24 8.742 -3.963 -0.237 1.00100.00 C ATOM 324 C PRO A 24 9.630 -3.081 -1.089 1.00100.00 C ATOM 325 O PRO A 24 10.420 -2.335 -0.512 1.00100.00 O ATOM 326 CB PRO A 24 9.309 -5.357 0.057 1.00100.00 C ATOM 327 CG PRO A 24 8.581 -6.231 -0.965 1.00100.00 C ATOM 328 CD PRO A 24 7.207 -5.574 -1.097 1.00100.00 C ATOM 0 HA PRO A 24 8.677 -3.402 0.695 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.390 -5.392 -0.076 1.00100.00 H new ATOM 0 HB3 PRO A 24 9.103 -5.672 1.080 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.107 -6.252 -1.919 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.499 -7.263 -0.623 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.793 -5.722 -2.094 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.496 -6.001 -0.390 1.00100.00 H new ATOM 336 N LYS A 25 9.508 -3.155 -2.440 1.00100.00 N ATOM 337 CA LYS A 25 10.265 -2.347 -3.368 1.00100.00 C ATOM 338 C LYS A 25 9.888 -0.894 -3.307 1.00100.00 C ATOM 339 O LYS A 25 10.700 -0.042 -3.668 1.00100.00 O ATOM 340 CB LYS A 25 10.201 -2.802 -4.835 1.00100.00 C ATOM 341 CG LYS A 25 10.702 -4.241 -4.961 1.00100.00 C ATOM 342 CD LYS A 25 10.812 -4.634 -6.434 1.00100.00 C ATOM 343 CE LYS A 25 11.888 -3.813 -7.146 1.00100.00 C ATOM 344 NZ LYS A 25 13.214 -4.025 -6.542 1.00100.00 N1+ ATOM 0 H LYS A 25 8.863 -3.797 -2.900 1.00100.00 H new ATOM 0 HA LYS A 25 11.291 -2.488 -3.027 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.177 -2.732 -5.201 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.807 -2.142 -5.455 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.674 -4.339 -4.477 1.00100.00 H new ATOM 0 HG3 LYS A 25 10.020 -4.918 -4.446 1.00100.00 H new ATOM 0 HD2 LYS A 25 11.048 -5.695 -6.513 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.851 -4.484 -6.926 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.919 -4.088 -8.200 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.630 -2.755 -7.100 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.951 -3.699 -7.199 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.281 -3.488 -5.654 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.348 -5.037 -6.346 1.00100.00 H new ATOM 358 N CYS A 26 8.653 -0.586 -2.833 1.00100.00 N ATOM 359 CA CYS A 26 8.130 0.752 -2.690 1.00100.00 C ATOM 360 C CYS A 26 8.980 1.549 -1.734 1.00100.00 C ATOM 361 O CYS A 26 9.163 2.752 -1.932 1.00100.00 O ATOM 362 CB CYS A 26 6.684 0.769 -2.185 1.00100.00 C ATOM 363 SG CYS A 26 5.531 0.123 -3.413 1.00100.00 S ATOM 0 H CYS A 26 7.991 -1.303 -2.537 1.00100.00 H new ATOM 0 HA CYS A 26 8.150 1.197 -3.685 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.612 0.177 -1.273 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.403 1.790 -1.925 1.00100.00 H new ATOM 0 HG CYS A 26 4.320 0.177 -2.942 1.00100.00 H new ATOM 369 N SER A 27 9.506 0.883 -0.675 1.00100.00 N ATOM 370 CA SER A 27 10.356 1.470 0.334 1.00100.00 C ATOM 371 C SER A 27 11.615 2.009 -0.284 1.00100.00 C ATOM 372 O SER A 27 12.106 3.049 0.159 1.00100.00 O ATOM 373 CB SER A 27 10.750 0.466 1.424 1.00100.00 C ATOM 374 OG SER A 27 9.590 -0.031 2.051 1.00100.00 O ATOM 0 H SER A 27 9.331 -0.109 -0.515 1.00100.00 H new ATOM 0 HA SER A 27 9.777 2.273 0.790 1.00100.00 H new ATOM 0 HB2 SER A 27 11.320 -0.355 0.988 1.00100.00 H new ATOM 0 HB3 SER A 27 11.395 0.947 2.159 1.00100.00 H new ATOM 0 HG SER A 27 9.844 -0.674 2.746 1.00100.00 H new ATOM 380 N ALA A 28 12.174 1.285 -1.291 1.00100.00 N ATOM 381 CA ALA A 28 13.354 1.703 -2.006 1.00100.00 C ATOM 382 C ALA A 28 12.973 2.925 -2.795 1.00100.00 C ATOM 383 O ALA A 28 11.888 2.995 -3.376 1.00100.00 O ATOM 384 CB ALA A 28 13.892 0.643 -2.978 1.00100.00 C ATOM 0 H ALA A 28 11.796 0.393 -1.612 1.00100.00 H new ATOM 0 HA ALA A 28 14.146 1.887 -1.280 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.780 1.027 -3.480 1.00100.00 H new ATOM 0 HB2 ALA A 28 14.150 -0.260 -2.425 1.00100.00 H new ATOM 0 HB3 ALA A 28 13.129 0.409 -3.720 1.00100.00 H new ATOM 390 N LEU A 29 13.875 3.914 -2.825 1.00100.00 N ATOM 391 CA LEU A 29 13.658 5.161 -3.498 1.00100.00 C ATOM 392 C LEU A 29 14.194 5.216 -4.898 1.00100.00 C ATOM 393 O LEU A 29 14.220 6.297 -5.495 1.00100.00 O ATOM 394 CB LEU A 29 14.253 6.342 -2.709 1.00100.00 C ATOM 395 CG LEU A 29 13.207 6.980 -1.792 1.00100.00 C ATOM 396 CD1 LEU A 29 12.777 6.031 -0.677 1.00100.00 C ATOM 397 CD2 LEU A 29 13.774 8.264 -1.188 1.00100.00 C ATOM 0 H LEU A 29 14.785 3.850 -2.369 1.00100.00 H new ATOM 0 HA LEU A 29 12.573 5.241 -3.557 1.00100.00 H new ATOM 0 HB2 LEU A 29 15.099 5.996 -2.115 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.636 7.090 -3.403 1.00100.00 H new ATOM 0 HG LEU A 29 12.326 7.206 -2.393 1.00100.00 H new ATOM 0 HD11 LEU A 29 12.034 6.521 -0.048 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.346 5.130 -1.113 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.644 5.763 -0.073 1.00100.00 H new ATOM 0 HD21 LEU A 29 13.029 8.719 -0.535 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.669 8.030 -0.611 1.00100.00 H new ATOM 0 HD23 LEU A 29 14.029 8.960 -1.987 1.00100.00 H new ATOM 409 N GLN A 30 14.493 4.044 -5.508 1.00100.00 N ATOM 410 CA GLN A 30 15.022 3.921 -6.849 1.00100.00 C ATOM 411 C GLN A 30 14.062 4.505 -7.857 1.00100.00 C ATOM 412 O GLN A 30 14.473 5.240 -8.754 1.00100.00 O ATOM 413 CB GLN A 30 15.213 2.446 -7.246 1.00100.00 C ATOM 414 CG GLN A 30 16.240 1.774 -6.338 1.00100.00 C ATOM 415 CD GLN A 30 16.398 0.304 -6.705 1.00100.00 C ATOM 416 OE1 GLN A 30 15.488 -0.493 -6.486 1.00100.00 O ATOM 417 NE2 GLN A 30 17.557 -0.054 -7.263 1.00100.00 N ATOM 0 H GLN A 30 14.362 3.142 -5.050 1.00100.00 H new ATOM 0 HA GLN A 30 15.975 4.449 -6.850 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.261 1.920 -7.179 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.540 2.382 -8.284 1.00100.00 H new ATOM 0 HG2 GLN A 30 17.200 2.282 -6.427 1.00100.00 H new ATOM 0 HG3 GLN A 30 15.928 1.863 -5.298 1.00100.00 H new ATOM 0 HE21 GLN A 30 18.282 0.645 -7.425 1.00100.00 H new ATOM 0 HE22 GLN A 30 17.717 -1.026 -7.528 1.00100.00 H new ATOM 426 N TYR A 31 12.755 4.202 -7.688 1.00100.00 N ATOM 427 CA TYR A 31 11.668 4.650 -8.522 1.00100.00 C ATOM 428 C TYR A 31 11.531 6.149 -8.494 1.00100.00 C ATOM 429 O TYR A 31 11.302 6.758 -9.538 1.00100.00 O ATOM 430 CB TYR A 31 10.322 4.004 -8.062 1.00100.00 C ATOM 431 CG TYR A 31 9.112 4.545 -8.787 1.00100.00 C ATOM 432 CD1 TYR A 31 8.811 4.098 -10.081 1.00100.00 C ATOM 433 CD2 TYR A 31 8.295 5.500 -8.164 1.00100.00 C ATOM 434 CE1 TYR A 31 7.691 4.602 -10.756 1.00100.00 C ATOM 435 CE2 TYR A 31 7.172 6.007 -8.830 1.00100.00 C ATOM 436 CZ TYR A 31 6.864 5.559 -10.131 1.00100.00 C ATOM 437 OH TYR A 31 5.772 6.050 -10.783 1.00100.00 O ATOM 0 H TYR A 31 12.437 3.608 -6.922 1.00100.00 H new ATOM 0 HA TYR A 31 11.895 4.340 -9.542 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.375 2.926 -8.215 1.00100.00 H new ATOM 0 HB3 TYR A 31 10.197 4.168 -6.992 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.443 3.364 -10.559 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.532 5.845 -7.169 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.461 4.258 -11.754 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.543 6.740 -8.348 1.00100.00 H new ATOM 0 HH TYR A 31 5.313 6.698 -10.209 1.00100.00 H new ATOM 447 N ARG A 32 11.677 6.749 -7.290 1.00100.00 N ATOM 448 CA ARG A 32 11.542 8.162 -7.042 1.00100.00 C ATOM 449 C ARG A 32 12.556 8.944 -7.816 1.00100.00 C ATOM 450 O ARG A 32 12.238 9.976 -8.407 1.00100.00 O ATOM 451 CB ARG A 32 11.693 8.505 -5.548 1.00100.00 C ATOM 452 CG ARG A 32 10.583 7.820 -4.751 1.00100.00 C ATOM 453 CD ARG A 32 10.300 8.545 -3.433 1.00100.00 C ATOM 454 NE ARG A 32 9.237 7.858 -2.697 1.00100.00 N ATOM 455 CZ ARG A 32 8.886 8.148 -1.437 1.00100.00 C ATOM 456 NH1 ARG A 32 9.549 9.084 -0.744 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.862 7.498 -0.867 1.00100.00 N ATOM 0 H ARG A 32 11.901 6.222 -6.446 1.00100.00 H new ATOM 0 HA ARG A 32 10.537 8.434 -7.366 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.668 8.180 -5.186 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.644 9.585 -5.405 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.673 7.786 -5.350 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.867 6.788 -4.545 1.00100.00 H new ATOM 0 HD2 ARG A 32 11.206 8.582 -2.828 1.00100.00 H new ATOM 0 HD3 ARG A 32 10.007 9.576 -3.632 1.00100.00 H new ATOM 0 HE ARG A 32 8.732 7.111 -3.174 1.00100.00 H new ATOM 0 HH11 ARG A 32 10.328 9.582 -1.175 1.00100.00 H new ATOM 0 HH12 ARG A 32 9.275 9.298 0.215 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.354 6.786 -1.392 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.591 7.715 0.092 1.00100.00 H new ATOM 471 N ASN A 33 13.805 8.437 -7.845 1.00100.00 N ATOM 472 CA ASN A 33 14.885 9.058 -8.568 1.00100.00 C ATOM 473 C ASN A 33 14.640 8.909 -10.048 1.00100.00 C ATOM 474 O ASN A 33 13.987 7.965 -10.499 1.00100.00 O ATOM 475 CB ASN A 33 16.257 8.445 -8.228 1.00100.00 C ATOM 476 CG ASN A 33 16.581 8.660 -6.755 1.00100.00 C ATOM 477 OD1 ASN A 33 16.649 9.797 -6.293 1.00100.00 O ATOM 478 ND2 ASN A 33 16.780 7.567 -6.015 1.00100.00 N ATOM 0 H ASN A 33 14.073 7.581 -7.359 1.00100.00 H new ATOM 0 HA ASN A 33 14.910 10.108 -8.275 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.253 7.379 -8.455 1.00100.00 H new ATOM 0 HB3 ASN A 33 17.030 8.900 -8.848 1.00100.00 H new ATOM 0 HD21 ASN A 33 16.999 7.656 -5.023 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.713 6.643 -6.442 1.00100.00 H new ATOM 485 N GLY A 34 15.174 9.868 -10.835 1.00100.00 N ATOM 486 CA GLY A 34 15.013 9.875 -12.264 1.00100.00 C ATOM 487 C GLY A 34 13.885 10.759 -12.719 1.00100.00 C ATOM 488 O GLY A 34 13.738 10.951 -13.926 1.00100.00 O ATOM 0 H GLY A 34 15.724 10.648 -10.476 1.00100.00 H new ATOM 0 HA2 GLY A 34 15.941 10.210 -12.728 1.00100.00 H new ATOM 0 HA3 GLY A 34 14.833 8.857 -12.610 1.00100.00 H new ATOM 492 N PHE A 35 13.052 11.290 -11.785 1.00100.00 N ATOM 493 CA PHE A 35 11.979 12.195 -12.126 1.00100.00 C ATOM 494 C PHE A 35 12.517 13.596 -12.155 1.00100.00 C ATOM 495 O PHE A 35 13.371 13.958 -11.341 1.00100.00 O ATOM 496 CB PHE A 35 10.757 12.209 -11.184 1.00100.00 C ATOM 497 CG PHE A 35 9.810 11.047 -11.398 1.00100.00 C ATOM 498 CD1 PHE A 35 8.875 11.093 -12.442 1.00100.00 C ATOM 499 CD2 PHE A 35 9.843 9.930 -10.551 1.00100.00 C ATOM 500 CE1 PHE A 35 7.982 10.029 -12.634 1.00100.00 C ATOM 501 CE2 PHE A 35 8.957 8.864 -10.743 1.00100.00 C ATOM 502 CZ PHE A 35 8.024 8.913 -11.787 1.00100.00 C ATOM 0 H PHE A 35 13.124 11.090 -10.787 1.00100.00 H new ATOM 0 HA PHE A 35 11.620 11.828 -13.087 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.105 12.197 -10.151 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.211 13.142 -11.325 1.00100.00 H new ATOM 0 HD1 PHE A 35 8.843 11.949 -13.099 1.00100.00 H new ATOM 0 HD2 PHE A 35 10.559 9.892 -9.743 1.00100.00 H new ATOM 0 HE1 PHE A 35 7.260 10.070 -13.436 1.00100.00 H new ATOM 0 HE2 PHE A 35 8.992 8.006 -10.088 1.00100.00 H new ATOM 0 HZ PHE A 35 7.338 8.092 -11.939 1.00100.00 H new ATOM 512 N TYR A 36 12.015 14.410 -13.117 1.00100.00 N ATOM 513 CA TYR A 36 12.442 15.772 -13.305 1.00100.00 C ATOM 514 C TYR A 36 12.184 16.657 -12.114 1.00100.00 C ATOM 515 O TYR A 36 13.112 17.351 -11.688 1.00100.00 O ATOM 516 CB TYR A 36 11.802 16.377 -14.595 1.00100.00 C ATOM 517 CG TYR A 36 12.106 17.846 -14.774 1.00100.00 C ATOM 518 CD1 TYR A 36 13.372 18.249 -15.220 1.00100.00 C ATOM 519 CD2 TYR A 36 11.126 18.803 -14.476 1.00100.00 C ATOM 520 CE1 TYR A 36 13.660 19.612 -15.374 1.00100.00 C ATOM 521 CE2 TYR A 36 11.405 20.167 -14.627 1.00100.00 C ATOM 522 CZ TYR A 36 12.676 20.577 -15.077 1.00100.00 C ATOM 523 OH TYR A 36 12.954 21.904 -15.223 1.00100.00 O ATOM 0 H TYR A 36 11.297 14.113 -13.777 1.00100.00 H new ATOM 0 HA TYR A 36 13.525 15.736 -13.423 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.164 15.829 -15.465 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.722 16.238 -14.557 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.126 17.509 -15.445 1.00100.00 H new ATOM 0 HD2 TYR A 36 10.153 18.488 -14.129 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.635 19.923 -15.720 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.648 20.903 -14.399 1.00100.00 H new ATOM 0 HH TYR A 36 12.166 22.432 -14.977 1.00100.00 H new ATOM 533 N LEU A 37 10.955 16.645 -11.543 1.00100.00 N ATOM 534 CA LEU A 37 10.720 17.489 -10.409 1.00100.00 C ATOM 535 C LEU A 37 10.010 16.712 -9.354 1.00100.00 C ATOM 536 O LEU A 37 8.984 16.078 -9.600 1.00100.00 O ATOM 537 CB LEU A 37 9.988 18.797 -10.776 1.00100.00 C ATOM 538 CG LEU A 37 9.706 19.698 -9.575 1.00100.00 C ATOM 539 CD1 LEU A 37 10.994 20.139 -8.880 1.00100.00 C ATOM 540 CD2 LEU A 37 8.967 20.926 -10.095 1.00100.00 C ATOM 0 H LEU A 37 10.163 16.080 -11.850 1.00100.00 H new ATOM 0 HA LEU A 37 11.684 17.811 -10.015 1.00100.00 H new ATOM 0 HB2 LEU A 37 10.588 19.348 -11.500 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.045 18.551 -11.264 1.00100.00 H new ATOM 0 HG LEU A 37 9.115 19.149 -8.842 1.00100.00 H new ATOM 0 HD11 LEU A 37 10.749 20.778 -8.032 1.00100.00 H new ATOM 0 HD12 LEU A 37 11.537 19.261 -8.529 1.00100.00 H new ATOM 0 HD13 LEU A 37 11.616 20.692 -9.584 1.00100.00 H new ATOM 0 HD21 LEU A 37 8.747 21.597 -9.265 1.00100.00 H new ATOM 0 HD22 LEU A 37 9.590 21.444 -10.824 1.00100.00 H new ATOM 0 HD23 LEU A 37 8.035 20.617 -10.569 1.00100.00 H new ATOM 552 N LEU A 38 10.586 16.784 -8.137 1.00100.00 N ATOM 553 CA LEU A 38 10.126 16.136 -6.937 1.00100.00 C ATOM 554 C LEU A 38 8.773 16.642 -6.538 1.00100.00 C ATOM 555 O LEU A 38 7.905 15.864 -6.149 1.00100.00 O ATOM 556 CB LEU A 38 11.070 16.404 -5.751 1.00100.00 C ATOM 557 CG LEU A 38 12.476 15.834 -5.958 1.00100.00 C ATOM 558 CD1 LEU A 38 13.333 16.192 -4.743 1.00100.00 C ATOM 559 CD2 LEU A 38 12.437 14.312 -6.100 1.00100.00 C ATOM 0 H LEU A 38 11.431 17.332 -7.979 1.00100.00 H new ATOM 0 HA LEU A 38 10.093 15.070 -7.162 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.141 17.479 -5.588 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.639 15.972 -4.848 1.00100.00 H new ATOM 0 HG LEU A 38 12.894 16.258 -6.871 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.338 15.792 -4.876 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.384 17.276 -4.641 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.888 15.763 -3.845 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.449 13.934 -6.246 1.00100.00 H new ATOM 0 HD22 LEU A 38 12.012 13.873 -5.197 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.822 14.042 -6.958 1.00100.00 H new ATOM 571 N LYS A 39 8.585 17.974 -6.673 1.00100.00 N ATOM 572 CA LYS A 39 7.389 18.698 -6.340 1.00100.00 C ATOM 573 C LYS A 39 6.188 18.312 -7.154 1.00100.00 C ATOM 574 O LYS A 39 5.074 18.540 -6.679 1.00100.00 O ATOM 575 CB LYS A 39 7.549 20.231 -6.462 1.00100.00 C ATOM 576 CG LYS A 39 8.592 20.764 -5.483 1.00100.00 C ATOM 577 CD LYS A 39 8.650 22.286 -5.611 1.00100.00 C ATOM 578 CE LYS A 39 9.652 22.853 -4.610 1.00100.00 C ATOM 579 NZ LYS A 39 9.717 24.320 -4.706 1.00100.00 N1+ ATOM 0 H LYS A 39 9.317 18.583 -7.039 1.00100.00 H new ATOM 0 HA LYS A 39 7.223 18.417 -5.300 1.00100.00 H new ATOM 0 HB2 LYS A 39 7.840 20.488 -7.481 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.590 20.714 -6.273 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.333 20.480 -4.463 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.568 20.329 -5.697 1.00100.00 H new ATOM 0 HD2 LYS A 39 8.939 22.564 -6.625 1.00100.00 H new ATOM 0 HD3 LYS A 39 7.663 22.713 -5.432 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.366 22.563 -3.599 1.00100.00 H new ATOM 0 HE3 LYS A 39 10.638 22.428 -4.796 1.00100.00 H new ATOM 0 HZ1 LYS A 39 10.405 24.683 -4.016 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.012 24.592 -5.665 1.00100.00 H new ATOM 0 HZ3 LYS A 39 8.780 24.723 -4.505 1.00100.00 H new ATOM 593 N TYR A 40 6.372 17.724 -8.374 1.00100.00 N ATOM 594 CA TYR A 40 5.278 17.331 -9.242 1.00100.00 C ATOM 595 C TYR A 40 4.418 16.347 -8.489 1.00100.00 C ATOM 596 O TYR A 40 4.916 15.389 -7.896 1.00100.00 O ATOM 597 CB TYR A 40 5.768 16.737 -10.591 1.00100.00 C ATOM 598 CG TYR A 40 4.629 16.359 -11.504 1.00100.00 C ATOM 599 CD1 TYR A 40 3.973 17.352 -12.245 1.00100.00 C ATOM 600 CD2 TYR A 40 4.216 15.023 -11.591 1.00100.00 C ATOM 601 CE1 TYR A 40 2.907 17.010 -13.088 1.00100.00 C ATOM 602 CE2 TYR A 40 3.152 14.671 -12.430 1.00100.00 C ATOM 603 CZ TYR A 40 2.495 15.665 -13.185 1.00100.00 C ATOM 604 OH TYR A 40 1.461 15.329 -14.009 1.00100.00 O ATOM 0 H TYR A 40 7.294 17.520 -8.760 1.00100.00 H new ATOM 0 HA TYR A 40 4.700 18.216 -9.507 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.406 17.464 -11.094 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.380 15.857 -10.395 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.289 18.382 -12.166 1.00100.00 H new ATOM 0 HD2 TYR A 40 4.719 14.264 -11.010 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.403 17.774 -13.661 1.00100.00 H new ATOM 0 HE2 TYR A 40 2.835 13.641 -12.499 1.00100.00 H new ATOM 0 HH TYR A 40 1.305 14.363 -13.960 1.00100.00 H new ATOM 614 N ASP A 41 3.090 16.596 -8.531 1.00100.00 N ATOM 615 CA ASP A 41 2.148 15.806 -7.797 1.00100.00 C ATOM 616 C ASP A 41 1.598 14.684 -8.618 1.00100.00 C ATOM 617 O ASP A 41 1.061 14.868 -9.712 1.00100.00 O ATOM 618 CB ASP A 41 0.993 16.688 -7.252 1.00100.00 C ATOM 619 CG ASP A 41 -0.005 15.864 -6.445 1.00100.00 C ATOM 620 OD1 ASP A 41 0.451 14.926 -5.755 1.00100.00 O1- ATOM 621 OD2 ASP A 41 -1.208 16.190 -6.533 1.00100.00 O ATOM 0 H ASP A 41 2.671 17.349 -9.077 1.00100.00 H new ATOM 0 HA ASP A 41 2.686 15.368 -6.956 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.403 17.480 -6.626 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.480 17.172 -8.083 1.00100.00 H new ATOM 626 N GLU A 42 1.773 13.476 -8.054 1.00100.00 N ATOM 627 CA GLU A 42 1.319 12.219 -8.583 1.00100.00 C ATOM 628 C GLU A 42 1.133 11.276 -7.407 1.00100.00 C ATOM 629 O GLU A 42 1.107 11.720 -6.257 1.00100.00 O ATOM 630 CB GLU A 42 2.189 11.633 -9.732 1.00100.00 C ATOM 631 CG GLU A 42 3.583 11.231 -9.285 1.00100.00 C ATOM 632 CD GLU A 42 4.420 10.823 -10.490 1.00100.00 C ATOM 633 OE1 GLU A 42 4.719 11.722 -11.305 1.00100.00 O ATOM 634 OE2 GLU A 42 4.738 9.618 -10.578 1.00100.00 O1- ATOM 0 H GLU A 42 2.265 13.366 -7.167 1.00100.00 H new ATOM 0 HA GLU A 42 0.368 12.374 -9.093 1.00100.00 H new ATOM 0 HB2 GLU A 42 1.685 10.763 -10.152 1.00100.00 H new ATOM 0 HB3 GLU A 42 2.270 12.371 -10.530 1.00100.00 H new ATOM 0 HG2 GLU A 42 4.060 12.061 -8.765 1.00100.00 H new ATOM 0 HG3 GLU A 42 3.522 10.404 -8.577 1.00100.00 H new ATOM 641 N GLU A 43 0.947 9.954 -7.668 1.00100.00 N ATOM 642 CA GLU A 43 0.755 8.931 -6.651 1.00100.00 C ATOM 643 C GLU A 43 1.944 8.852 -5.721 1.00100.00 C ATOM 644 O GLU A 43 1.782 8.720 -4.507 1.00100.00 O ATOM 645 CB GLU A 43 0.492 7.535 -7.244 1.00100.00 C ATOM 646 CG GLU A 43 -0.756 7.539 -8.125 1.00100.00 C ATOM 647 CD GLU A 43 -1.075 6.136 -8.630 1.00100.00 C ATOM 648 OE1 GLU A 43 -0.108 5.394 -8.914 1.00100.00 O ATOM 649 OE2 GLU A 43 -2.282 5.829 -8.723 1.00100.00 O1- ATOM 0 H GLU A 43 0.929 9.581 -8.617 1.00100.00 H new ATOM 0 HA GLU A 43 -0.132 9.235 -6.095 1.00100.00 H new ATOM 0 HB2 GLU A 43 1.354 7.217 -7.830 1.00100.00 H new ATOM 0 HB3 GLU A 43 0.370 6.811 -6.438 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.603 7.927 -7.559 1.00100.00 H new ATOM 0 HG3 GLU A 43 -0.605 8.208 -8.972 1.00100.00 H new ATOM 656 N TRP A 44 3.154 8.978 -6.300 1.00100.00 N ATOM 657 CA TRP A 44 4.448 9.015 -5.662 1.00100.00 C ATOM 658 C TRP A 44 4.465 10.119 -4.623 1.00100.00 C ATOM 659 O TRP A 44 3.914 11.196 -4.858 1.00100.00 O ATOM 660 CB TRP A 44 5.422 9.435 -6.782 1.00100.00 C ATOM 661 CG TRP A 44 6.768 9.980 -6.438 1.00100.00 C ATOM 662 CD1 TRP A 44 7.588 9.587 -5.442 1.00100.00 C ATOM 663 CD2 TRP A 44 7.478 11.035 -7.151 1.00100.00 C ATOM 664 NE1 TRP A 44 8.749 10.334 -5.492 1.00100.00 N ATOM 665 CE2 TRP A 44 8.739 11.234 -6.536 1.00100.00 C ATOM 666 CE3 TRP A 44 7.180 11.831 -8.272 1.00100.00 C ATOM 667 CZ2 TRP A 44 9.666 12.167 -7.012 1.00100.00 C ATOM 668 CZ3 TRP A 44 8.098 12.770 -8.760 1.00100.00 C ATOM 669 CH2 TRP A 44 9.342 12.934 -8.138 1.00100.00 C ATOM 0 H TRP A 44 3.238 9.062 -7.313 1.00100.00 H new ATOM 0 HA TRP A 44 4.696 8.064 -5.191 1.00100.00 H new ATOM 0 HB2 TRP A 44 5.578 8.564 -7.418 1.00100.00 H new ATOM 0 HB3 TRP A 44 4.914 10.185 -7.388 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.372 8.813 -4.721 1.00100.00 H new ATOM 0 HE1 TRP A 44 9.522 10.232 -4.834 1.00100.00 H new ATOM 0 HE3 TRP A 44 6.226 11.716 -8.765 1.00100.00 H new ATOM 0 HZ2 TRP A 44 10.618 12.294 -6.518 1.00100.00 H new ATOM 0 HZ3 TRP A 44 7.845 13.371 -9.621 1.00100.00 H new ATOM 0 HH2 TRP A 44 10.050 13.651 -8.526 1.00100.00 H new ATOM 680 N TYR A 45 5.099 9.860 -3.447 1.00100.00 N ATOM 681 CA TYR A 45 5.175 10.856 -2.401 1.00100.00 C ATOM 682 C TYR A 45 6.315 11.792 -2.725 1.00100.00 C ATOM 683 O TYR A 45 7.458 11.336 -2.843 1.00100.00 O ATOM 684 CB TYR A 45 5.445 10.287 -0.990 1.00100.00 C ATOM 685 CG TYR A 45 4.280 9.481 -0.473 1.00100.00 C ATOM 686 CD1 TYR A 45 3.185 10.144 0.097 1.00100.00 C ATOM 687 CD2 TYR A 45 4.280 8.083 -0.587 1.00100.00 C ATOM 688 CE1 TYR A 45 2.087 9.411 0.568 1.00100.00 C ATOM 689 CE2 TYR A 45 3.186 7.344 -0.118 1.00100.00 C ATOM 690 CZ TYR A 45 2.086 8.007 0.464 1.00100.00 C ATOM 691 OH TYR A 45 1.023 7.289 0.927 1.00100.00 O ATOM 0 H TYR A 45 5.552 8.974 -3.224 1.00100.00 H new ATOM 0 HA TYR A 45 4.200 11.342 -2.374 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.336 9.660 -1.016 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.652 11.107 -0.302 1.00100.00 H new ATOM 0 HD1 TYR A 45 3.187 11.221 0.174 1.00100.00 H new ATOM 0 HD2 TYR A 45 5.122 7.577 -1.036 1.00100.00 H new ATOM 0 HE1 TYR A 45 1.244 9.922 1.009 1.00100.00 H new ATOM 0 HE2 TYR A 45 3.185 6.267 -0.202 1.00100.00 H new ATOM 0 HH TYR A 45 0.207 7.826 0.850 1.00100.00 H new ATOM 701 N PRO A 46 6.029 13.126 -2.871 1.00100.00 N ATOM 702 CA PRO A 46 7.010 14.142 -3.194 1.00100.00 C ATOM 703 C PRO A 46 8.128 14.238 -2.200 1.00100.00 C ATOM 704 O PRO A 46 9.257 14.498 -2.618 1.00100.00 O ATOM 705 CB PRO A 46 6.231 15.454 -3.293 1.00100.00 C ATOM 706 CG PRO A 46 4.822 15.001 -3.652 1.00100.00 C ATOM 707 CD PRO A 46 4.694 13.693 -2.877 1.00100.00 C ATOM 0 HA PRO A 46 7.512 13.891 -4.129 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.249 16.004 -2.352 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.648 16.112 -4.055 1.00100.00 H new ATOM 0 HG2 PRO A 46 4.071 15.729 -3.347 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.704 14.851 -4.725 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.336 13.869 -1.863 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.982 13.020 -3.354 1.00100.00 H new ATOM 715 N GLU A 47 7.814 14.052 -0.894 1.00100.00 N ATOM 716 CA GLU A 47 8.782 14.100 0.169 1.00100.00 C ATOM 717 C GLU A 47 9.535 12.810 0.106 1.00100.00 C ATOM 718 O GLU A 47 8.927 11.735 0.082 1.00100.00 O ATOM 719 CB GLU A 47 8.126 14.171 1.566 1.00100.00 C ATOM 720 CG GLU A 47 9.209 14.289 2.641 1.00100.00 C ATOM 721 CD GLU A 47 8.617 14.367 4.043 1.00100.00 C ATOM 722 OE1 GLU A 47 7.390 14.164 4.166 1.00100.00 O ATOM 723 OE2 GLU A 47 9.411 14.626 4.973 1.00100.00 O1- ATOM 0 H GLU A 47 6.865 13.864 -0.572 1.00100.00 H new ATOM 0 HA GLU A 47 9.402 14.987 0.041 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.453 15.027 1.619 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.523 13.280 1.740 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.878 13.431 2.577 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.812 15.177 2.452 1.00100.00 H new ATOM 730 N GLU A 48 10.882 12.908 0.087 1.00100.00 N ATOM 731 CA GLU A 48 11.715 11.745 0.020 1.00100.00 C ATOM 732 C GLU A 48 12.259 11.453 1.380 1.00100.00 C ATOM 733 O GLU A 48 12.808 12.318 2.064 1.00100.00 O ATOM 734 CB GLU A 48 12.861 11.842 -0.996 1.00100.00 C ATOM 735 CG GLU A 48 12.343 11.810 -2.431 1.00100.00 C ATOM 736 CD GLU A 48 13.509 11.900 -3.406 1.00100.00 C ATOM 737 OE1 GLU A 48 14.236 12.915 -3.330 1.00100.00 O ATOM 738 OE2 GLU A 48 13.659 10.948 -4.203 1.00100.00 O1- ATOM 0 H GLU A 48 11.391 13.792 0.118 1.00100.00 H new ATOM 0 HA GLU A 48 11.081 10.931 -0.333 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.418 12.764 -0.830 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.556 11.017 -0.841 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.783 10.891 -2.604 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.654 12.639 -2.597 1.00100.00 H new ATOM 745 N LEU A 49 12.072 10.181 1.787 1.00100.00 N ATOM 746 CA LEU A 49 12.455 9.651 3.067 1.00100.00 C ATOM 747 C LEU A 49 13.932 9.707 3.329 1.00100.00 C ATOM 748 O LEU A 49 14.352 10.159 4.396 1.00100.00 O ATOM 749 CB LEU A 49 12.006 8.180 3.174 1.00100.00 C ATOM 750 CG LEU A 49 10.500 8.026 2.943 1.00100.00 C ATOM 751 CD1 LEU A 49 10.136 6.544 3.014 1.00100.00 C ATOM 752 CD2 LEU A 49 9.700 8.794 3.996 1.00100.00 C ATOM 0 H LEU A 49 11.629 9.482 1.190 1.00100.00 H new ATOM 0 HA LEU A 49 11.965 10.281 3.810 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.549 7.580 2.443 1.00100.00 H new ATOM 0 HB3 LEU A 49 12.264 7.792 4.159 1.00100.00 H new ATOM 0 HG LEU A 49 10.254 8.433 1.962 1.00100.00 H new ATOM 0 HD11 LEU A 49 9.065 6.424 2.851 1.00100.00 H new ATOM 0 HD12 LEU A 49 10.684 5.998 2.246 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.399 6.151 3.996 1.00100.00 H new ATOM 0 HD21 LEU A 49 8.634 8.667 3.807 1.00100.00 H new ATOM 0 HD22 LEU A 49 9.941 8.411 4.987 1.00100.00 H new ATOM 0 HD23 LEU A 49 9.954 9.853 3.945 1.00100.00 H new ATOM 764 N LEU A 50 14.742 9.268 2.340 1.00100.00 N ATOM 765 CA LEU A 50 16.176 9.243 2.446 1.00100.00 C ATOM 766 C LEU A 50 16.796 10.605 2.518 1.00100.00 C ATOM 767 O LEU A 50 17.704 10.827 3.323 1.00100.00 O ATOM 768 CB LEU A 50 16.836 8.444 1.306 1.00100.00 C ATOM 769 CG LEU A 50 16.366 6.987 1.293 1.00100.00 C ATOM 770 CD1 LEU A 50 16.998 6.278 0.095 1.00100.00 C ATOM 771 CD2 LEU A 50 16.772 6.259 2.575 1.00100.00 C ATOM 0 H LEU A 50 14.392 8.923 1.446 1.00100.00 H new ATOM 0 HA LEU A 50 16.368 8.738 3.393 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.601 8.911 0.350 1.00100.00 H new ATOM 0 HB3 LEU A 50 17.920 8.476 1.418 1.00100.00 H new ATOM 0 HG LEU A 50 15.278 6.974 1.223 1.00100.00 H new ATOM 0 HD11 LEU A 50 16.671 5.238 0.074 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.690 6.774 -0.825 1.00100.00 H new ATOM 0 HD13 LEU A 50 18.084 6.315 0.181 1.00100.00 H new ATOM 0 HD21 LEU A 50 16.423 5.227 2.534 1.00100.00 H new ATOM 0 HD22 LEU A 50 17.858 6.271 2.672 1.00100.00 H new ATOM 0 HD23 LEU A 50 16.325 6.759 3.434 1.00100.00 H new ATOM 783 N THR A 51 16.293 11.557 1.700 1.00100.00 N ATOM 784 CA THR A 51 16.823 12.893 1.659 1.00100.00 C ATOM 785 C THR A 51 16.177 13.736 2.721 1.00100.00 C ATOM 786 O THR A 51 15.213 14.474 2.481 1.00100.00 O ATOM 787 CB THR A 51 16.727 13.497 0.276 1.00100.00 C ATOM 788 OG1 THR A 51 15.400 13.440 -0.179 1.00100.00 O ATOM 789 CG2 THR A 51 17.621 12.734 -0.700 1.00100.00 C ATOM 0 H THR A 51 15.513 11.399 1.062 1.00100.00 H new ATOM 0 HA THR A 51 17.890 12.854 1.880 1.00100.00 H new ATOM 0 HB THR A 51 17.055 14.535 0.329 1.00100.00 H new ATOM 0 HG1 THR A 51 14.805 13.820 0.500 1.00100.00 H new ATOM 0 HG21 THR A 51 17.541 13.180 -1.691 1.00100.00 H new ATOM 0 HG22 THR A 51 18.656 12.785 -0.361 1.00100.00 H new ATOM 0 HG23 THR A 51 17.305 11.692 -0.745 1.00100.00 H new ATOM 797 N ASP A 52 16.735 13.627 3.950 1.00100.00 N ATOM 798 CA ASP A 52 16.226 14.349 5.079 1.00100.00 C ATOM 799 C ASP A 52 16.960 15.658 5.148 1.00100.00 C ATOM 800 O ASP A 52 18.150 15.734 5.466 1.00100.00 O ATOM 801 CB ASP A 52 16.396 13.554 6.404 1.00100.00 C ATOM 802 CG ASP A 52 15.915 14.372 7.595 1.00100.00 C ATOM 803 OD1 ASP A 52 14.853 15.017 7.453 1.00100.00 O ATOM 804 OD2 ASP A 52 16.621 14.340 8.627 1.00100.00 O1- ATOM 0 H ASP A 52 17.540 13.036 4.158 1.00100.00 H new ATOM 0 HA ASP A 52 15.155 14.511 4.955 1.00100.00 H new ATOM 0 HB2 ASP A 52 15.834 12.622 6.348 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.444 13.287 6.541 1.00100.00 H new ATOM 809 N GLY A 53 16.216 16.717 4.777 1.00100.00 N ATOM 810 CA GLY A 53 16.656 18.080 4.774 1.00100.00 C ATOM 811 C GLY A 53 17.324 18.483 3.494 1.00100.00 C ATOM 812 O GLY A 53 17.503 19.679 3.265 1.00100.00 O ATOM 0 H GLY A 53 15.252 16.616 4.461 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.800 18.732 4.950 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.349 18.233 5.601 1.00100.00 H new ATOM 816 N GLU A 54 17.704 17.509 2.627 1.00100.00 N ATOM 817 CA GLU A 54 18.346 17.802 1.372 1.00100.00 C ATOM 818 C GLU A 54 17.398 18.441 0.400 1.00100.00 C ATOM 819 O GLU A 54 17.771 19.395 -0.285 1.00100.00 O ATOM 820 CB GLU A 54 19.027 16.576 0.742 1.00100.00 C ATOM 821 CG GLU A 54 20.056 15.986 1.706 1.00100.00 C ATOM 822 CD GLU A 54 20.725 14.743 1.129 1.00100.00 C ATOM 823 OE1 GLU A 54 20.494 14.466 -0.068 1.00100.00 O ATOM 824 OE2 GLU A 54 21.455 14.086 1.903 1.00100.00 O1- ATOM 0 H GLU A 54 17.564 16.514 2.800 1.00100.00 H new ATOM 0 HA GLU A 54 19.135 18.517 1.603 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.279 15.824 0.493 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.514 16.861 -0.190 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.815 16.736 1.931 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.569 15.733 2.647 1.00100.00 H new ATOM 831 N ASP A 55 16.145 17.923 0.343 1.00100.00 N ATOM 832 CA ASP A 55 15.092 18.414 -0.518 1.00100.00 C ATOM 833 C ASP A 55 14.740 19.824 -0.150 1.00100.00 C ATOM 834 O ASP A 55 14.626 20.685 -1.024 1.00100.00 O ATOM 835 CB ASP A 55 13.783 17.603 -0.389 1.00100.00 C ATOM 836 CG ASP A 55 13.918 16.179 -0.923 1.00100.00 C ATOM 837 OD1 ASP A 55 14.878 15.935 -1.686 1.00100.00 O ATOM 838 OD2 ASP A 55 13.043 15.360 -0.566 1.00100.00 O1- ATOM 0 H ASP A 55 15.854 17.132 0.918 1.00100.00 H new ATOM 0 HA ASP A 55 15.480 18.330 -1.533 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.484 17.567 0.659 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.988 18.116 -0.930 1.00100.00 H new ATOM 843 N ASP A 56 14.605 20.066 1.180 1.00100.00 N ATOM 844 CA ASP A 56 14.274 21.320 1.807 1.00100.00 C ATOM 845 C ASP A 56 13.002 21.921 1.238 1.00100.00 C ATOM 846 O ASP A 56 12.921 23.119 0.953 1.00100.00 O ATOM 847 CB ASP A 56 15.474 22.310 1.796 1.00100.00 C ATOM 848 CG ASP A 56 15.169 23.577 2.586 1.00100.00 C ATOM 849 OD1 ASP A 56 14.587 23.440 3.684 1.00100.00 O ATOM 850 OD2 ASP A 56 15.519 24.662 2.074 1.00100.00 O1- ATOM 0 H ASP A 56 14.739 19.324 1.867 1.00100.00 H new ATOM 0 HA ASP A 56 14.065 21.112 2.856 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.352 21.821 2.218 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.719 22.573 0.767 1.00100.00 H new ATOM 855 N VAL A 57 11.982 21.057 1.020 1.00100.00 N ATOM 856 CA VAL A 57 10.697 21.471 0.509 1.00100.00 C ATOM 857 C VAL A 57 9.780 21.501 1.706 1.00100.00 C ATOM 858 O VAL A 57 9.048 22.471 1.918 1.00100.00 O ATOM 859 CB VAL A 57 10.135 20.511 -0.540 1.00100.00 C ATOM 860 CG1 VAL A 57 8.763 20.989 -1.016 1.00100.00 C ATOM 861 CG2 VAL A 57 11.085 20.447 -1.735 1.00100.00 C ATOM 0 H VAL A 57 12.049 20.055 1.201 1.00100.00 H new ATOM 0 HA VAL A 57 10.789 22.436 0.011 1.00100.00 H new ATOM 0 HB VAL A 57 10.034 19.523 -0.092 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.375 20.296 -1.763 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.078 21.031 -0.169 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.856 21.982 -1.456 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.684 19.763 -2.482 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.188 21.441 -2.171 1.00100.00 H new ATOM 0 HG23 VAL A 57 12.061 20.092 -1.405 1.00100.00 H new ATOM 871 N PHE A 58 9.830 20.428 2.527 1.00100.00 N ATOM 872 CA PHE A 58 9.018 20.285 3.698 1.00100.00 C ATOM 873 C PHE A 58 9.254 21.250 4.807 1.00100.00 C ATOM 874 O PHE A 58 8.280 21.657 5.442 1.00100.00 O ATOM 875 CB PHE A 58 8.822 18.826 4.147 1.00100.00 C ATOM 876 CG PHE A 58 7.752 18.206 3.281 1.00100.00 C ATOM 877 CD1 PHE A 58 8.054 17.803 1.973 1.00100.00 C ATOM 878 CD2 PHE A 58 6.425 18.178 3.734 1.00100.00 C ATOM 879 CE1 PHE A 58 7.028 17.370 1.120 1.00100.00 C ATOM 880 CE2 PHE A 58 5.402 17.734 2.885 1.00100.00 C ATOM 881 CZ PHE A 58 5.704 17.333 1.578 1.00100.00 C ATOM 0 H PHE A 58 10.455 19.638 2.368 1.00100.00 H new ATOM 0 HA PHE A 58 8.041 20.612 3.341 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.755 18.271 4.054 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.531 18.787 5.197 1.00100.00 H new ATOM 0 HD1 PHE A 58 9.075 17.826 1.622 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.191 18.499 4.738 1.00100.00 H new ATOM 0 HE1 PHE A 58 7.258 17.065 0.110 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.382 17.701 3.239 1.00100.00 H new ATOM 0 HZ PHE A 58 4.916 16.995 0.922 1.00100.00 H new ATOM 891 N ASP A 59 10.530 21.628 5.074 1.00100.00 N ATOM 892 CA ASP A 59 10.815 22.576 6.131 1.00100.00 C ATOM 893 C ASP A 59 10.166 23.933 5.869 1.00100.00 C ATOM 894 O ASP A 59 9.491 24.414 6.782 1.00100.00 O ATOM 895 CB ASP A 59 12.333 22.716 6.437 1.00100.00 C ATOM 896 CG ASP A 59 12.937 21.365 6.798 1.00100.00 C ATOM 897 OD1 ASP A 59 12.346 20.695 7.674 1.00100.00 O ATOM 898 OD2 ASP A 59 13.974 21.024 6.190 1.00100.00 O1- ATOM 0 H ASP A 59 11.350 21.287 4.571 1.00100.00 H new ATOM 0 HA ASP A 59 10.362 22.162 7.032 1.00100.00 H new ATOM 0 HB2 ASP A 59 12.847 23.130 5.569 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.480 23.417 7.259 1.00100.00 H new ATOM 903 N PRO A 60 10.281 24.587 4.659 1.00100.00 N ATOM 904 CA PRO A 60 9.610 25.846 4.398 1.00100.00 C ATOM 905 C PRO A 60 8.120 25.671 4.218 1.00100.00 C ATOM 906 O PRO A 60 7.393 26.641 4.437 1.00100.00 O ATOM 907 CB PRO A 60 10.287 26.453 3.172 1.00100.00 C ATOM 908 CG PRO A 60 10.756 25.203 2.424 1.00100.00 C ATOM 909 CD PRO A 60 11.133 24.228 3.544 1.00100.00 C ATOM 0 HA PRO A 60 9.702 26.519 5.250 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.596 27.051 2.577 1.00100.00 H new ATOM 0 HB3 PRO A 60 11.119 27.103 3.444 1.00100.00 H new ATOM 0 HG2 PRO A 60 9.968 24.798 1.789 1.00100.00 H new ATOM 0 HG3 PRO A 60 11.607 25.419 1.778 1.00100.00 H new ATOM 0 HD2 PRO A 60 10.969 23.195 3.239 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.187 24.319 3.808 1.00100.00 H new ATOM 917 N ASP A 61 7.671 24.449 3.820 1.00100.00 N ATOM 918 CA ASP A 61 6.302 24.049 3.578 1.00100.00 C ATOM 919 C ASP A 61 5.597 24.972 2.608 1.00100.00 C ATOM 920 O ASP A 61 4.472 25.430 2.829 1.00100.00 O ATOM 921 CB ASP A 61 5.500 23.801 4.887 1.00100.00 C ATOM 922 CG ASP A 61 4.211 23.045 4.593 1.00100.00 C ATOM 923 OD1 ASP A 61 4.325 21.866 4.194 1.00100.00 O ATOM 924 OD2 ASP A 61 3.137 23.661 4.771 1.00100.00 O1- ATOM 0 H ASP A 61 8.321 23.681 3.655 1.00100.00 H new ATOM 0 HA ASP A 61 6.349 23.077 3.086 1.00100.00 H new ATOM 0 HB2 ASP A 61 6.109 23.233 5.590 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.268 24.754 5.364 1.00100.00 H new ATOM 929 N LEU A 62 6.305 25.286 1.500 1.00100.00 N ATOM 930 CA LEU A 62 5.792 26.134 0.462 1.00100.00 C ATOM 931 C LEU A 62 5.569 25.238 -0.713 1.00100.00 C ATOM 932 O LEU A 62 6.488 24.541 -1.153 1.00100.00 O ATOM 933 CB LEU A 62 6.776 27.236 0.010 1.00100.00 C ATOM 934 CG LEU A 62 7.153 28.149 1.178 1.00100.00 C ATOM 935 CD1 LEU A 62 8.195 29.161 0.703 1.00100.00 C ATOM 936 CD2 LEU A 62 5.929 28.893 1.713 1.00100.00 C ATOM 0 H LEU A 62 7.250 24.944 1.323 1.00100.00 H new ATOM 0 HA LEU A 62 4.901 26.637 0.837 1.00100.00 H new ATOM 0 HB2 LEU A 62 7.675 26.778 -0.403 1.00100.00 H new ATOM 0 HB3 LEU A 62 6.324 27.827 -0.787 1.00100.00 H new ATOM 0 HG LEU A 62 7.559 27.536 1.983 1.00100.00 H new ATOM 0 HD11 LEU A 62 8.469 29.816 1.530 1.00100.00 H new ATOM 0 HD12 LEU A 62 9.080 28.633 0.349 1.00100.00 H new ATOM 0 HD13 LEU A 62 7.779 29.757 -0.109 1.00100.00 H new ATOM 0 HD21 LEU A 62 6.227 29.534 2.542 1.00100.00 H new ATOM 0 HD22 LEU A 62 5.498 29.503 0.919 1.00100.00 H new ATOM 0 HD23 LEU A 62 5.188 28.173 2.059 1.00100.00 H new ATOM 948 N ASP A 63 4.318 25.231 -1.223 1.00100.00 N ATOM 949 CA ASP A 63 3.973 24.424 -2.357 1.00100.00 C ATOM 950 C ASP A 63 3.632 25.441 -3.402 1.00100.00 C ATOM 951 O ASP A 63 2.726 26.259 -3.214 1.00100.00 O ATOM 952 CB ASP A 63 2.738 23.517 -2.104 1.00100.00 C ATOM 953 CG ASP A 63 2.288 22.807 -3.378 1.00100.00 C ATOM 954 OD1 ASP A 63 3.160 22.559 -4.241 1.00100.00 O1- ATOM 955 OD2 ASP A 63 1.074 22.524 -3.466 1.00100.00 O ATOM 0 H ASP A 63 3.547 25.784 -0.849 1.00100.00 H new ATOM 0 HA ASP A 63 4.782 23.743 -2.622 1.00100.00 H new ATOM 0 HB2 ASP A 63 2.980 22.777 -1.341 1.00100.00 H new ATOM 0 HB3 ASP A 63 1.918 24.120 -1.714 1.00100.00 H new ATOM 960 N MET A 64 4.386 25.415 -4.522 1.00100.00 N ATOM 961 CA MET A 64 4.151 26.337 -5.595 1.00100.00 C ATOM 962 C MET A 64 3.703 25.551 -6.781 1.00100.00 C ATOM 963 O MET A 64 4.451 24.752 -7.356 1.00100.00 O ATOM 964 CB MET A 64 5.381 27.189 -5.962 1.00100.00 C ATOM 965 CG MET A 64 5.769 28.064 -4.772 1.00100.00 C ATOM 966 SD MET A 64 7.366 28.894 -4.957 1.00100.00 S ATOM 967 CE MET A 64 8.453 27.464 -4.731 1.00100.00 C ATOM 0 H MET A 64 5.152 24.761 -4.683 1.00100.00 H new ATOM 0 HA MET A 64 3.390 27.046 -5.267 1.00100.00 H new ATOM 0 HB2 MET A 64 6.214 26.543 -6.239 1.00100.00 H new ATOM 0 HB3 MET A 64 5.159 27.812 -6.828 1.00100.00 H new ATOM 0 HG2 MET A 64 4.995 28.817 -4.620 1.00100.00 H new ATOM 0 HG3 MET A 64 5.794 27.447 -3.874 1.00100.00 H new ATOM 0 HE1 MET A 64 9.489 27.767 -4.882 1.00100.00 H new ATOM 0 HE2 MET A 64 8.333 27.072 -3.721 1.00100.00 H new ATOM 0 HE3 MET A 64 8.192 26.691 -5.454 1.00100.00 H new ATOM 977 N GLU A 65 2.464 25.863 -7.209 1.00100.00 N ATOM 978 CA GLU A 65 1.790 25.247 -8.318 1.00100.00 C ATOM 979 C GLU A 65 2.479 25.483 -9.624 1.00100.00 C ATOM 980 O GLU A 65 2.638 24.550 -10.410 1.00100.00 O ATOM 981 CB GLU A 65 0.340 25.735 -8.462 1.00100.00 C ATOM 982 CG GLU A 65 -0.461 25.367 -7.213 1.00100.00 C ATOM 983 CD GLU A 65 -1.929 25.739 -7.375 1.00100.00 C ATOM 984 OE1 GLU A 65 -2.182 26.865 -7.856 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.772 24.889 -7.015 1.00100.00 O1- ATOM 0 H GLU A 65 1.901 26.584 -6.758 1.00100.00 H new ATOM 0 HA GLU A 65 1.806 24.182 -8.088 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.324 26.815 -8.610 1.00100.00 H new ATOM 0 HB3 GLU A 65 -0.118 25.286 -9.343 1.00100.00 H new ATOM 0 HG2 GLU A 65 -0.372 24.297 -7.022 1.00100.00 H new ATOM 0 HG3 GLU A 65 -0.046 25.881 -6.346 1.00100.00 H new ATOM 992 N VAL A 66 2.939 26.737 -9.844 1.00100.00 N ATOM 993 CA VAL A 66 3.605 27.164 -11.052 1.00100.00 C ATOM 994 C VAL A 66 4.883 26.382 -11.245 1.00100.00 C ATOM 995 O VAL A 66 5.147 25.926 -12.359 1.00100.00 O ATOM 996 CB VAL A 66 3.889 28.668 -11.038 1.00100.00 C ATOM 997 CG1 VAL A 66 4.579 29.085 -12.336 1.00100.00 C ATOM 998 CG2 VAL A 66 2.578 29.442 -10.896 1.00100.00 C ATOM 0 H VAL A 66 2.844 27.483 -9.155 1.00100.00 H new ATOM 0 HA VAL A 66 2.938 26.966 -11.891 1.00100.00 H new ATOM 0 HB VAL A 66 4.541 28.892 -10.194 1.00100.00 H new ATOM 0 HG11 VAL A 66 4.776 30.157 -12.315 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.520 28.545 -12.438 1.00100.00 H new ATOM 0 HG13 VAL A 66 3.933 28.851 -13.183 1.00100.00 H new ATOM 0 HG21 VAL A 66 2.786 30.512 -10.887 1.00100.00 H new ATOM 0 HG22 VAL A 66 1.924 29.207 -11.736 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.088 29.160 -9.964 1.00100.00 H new ATOM 1008 N VAL A 67 5.676 26.193 -10.159 1.00100.00 N ATOM 1009 CA VAL A 67 6.927 25.475 -10.220 1.00100.00 C ATOM 1010 C VAL A 67 6.701 24.041 -10.638 1.00100.00 C ATOM 1011 O VAL A 67 7.387 23.582 -11.554 1.00100.00 O ATOM 1012 CB VAL A 67 7.694 25.559 -8.902 1.00100.00 C ATOM 1013 CG1 VAL A 67 8.989 24.751 -8.974 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.025 27.018 -8.589 1.00100.00 C ATOM 0 H VAL A 67 5.446 26.543 -9.229 1.00100.00 H new ATOM 0 HA VAL A 67 7.547 25.954 -10.978 1.00100.00 H new ATOM 0 HB VAL A 67 7.066 25.144 -8.113 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.518 24.826 -8.024 1.00100.00 H new ATOM 0 HG12 VAL A 67 8.755 23.706 -9.178 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.619 25.144 -9.772 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.572 27.073 -7.648 1.00100.00 H new ATOM 0 HG22 VAL A 67 8.638 27.432 -9.390 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.101 27.591 -8.506 1.00100.00 H new ATOM 1024 N PHE A 68 5.720 23.328 -10.017 1.00100.00 N ATOM 1025 CA PHE A 68 5.476 21.956 -10.387 1.00100.00 C ATOM 1026 C PHE A 68 4.900 21.760 -11.758 1.00100.00 C ATOM 1027 O PHE A 68 5.302 20.833 -12.462 1.00100.00 O ATOM 1028 CB PHE A 68 4.858 21.017 -9.312 1.00100.00 C ATOM 1029 CG PHE A 68 3.366 21.056 -9.102 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.533 20.244 -9.884 1.00100.00 C ATOM 1031 CD2 PHE A 68 2.827 21.809 -8.050 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.157 20.196 -9.622 1.00100.00 C ATOM 1033 CE2 PHE A 68 1.452 21.758 -7.787 1.00100.00 C ATOM 1034 CZ PHE A 68 0.617 20.954 -8.573 1.00100.00 C ATOM 0 H PHE A 68 5.115 23.692 -9.281 1.00100.00 H new ATOM 0 HA PHE A 68 6.502 21.592 -10.444 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.131 19.993 -9.568 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.334 21.245 -8.358 1.00100.00 H new ATOM 0 HD1 PHE A 68 2.951 19.656 -10.688 1.00100.00 H new ATOM 0 HD2 PHE A 68 3.471 22.428 -7.443 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.513 19.576 -10.228 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.036 22.339 -6.978 1.00100.00 H new ATOM 0 HZ PHE A 68 -0.443 20.918 -8.371 1.00100.00 H new ATOM 1044 N GLU A 69 3.976 22.655 -12.178 1.00100.00 N ATOM 1045 CA GLU A 69 3.335 22.563 -13.463 1.00100.00 C ATOM 1046 C GLU A 69 4.209 23.145 -14.542 1.00100.00 C ATOM 1047 O GLU A 69 4.030 24.272 -15.009 1.00100.00 O ATOM 1048 CB GLU A 69 1.943 23.234 -13.477 1.00100.00 C ATOM 1049 CG GLU A 69 0.997 22.532 -12.508 1.00100.00 C ATOM 1050 CD GLU A 69 -0.366 23.212 -12.506 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.468 24.272 -11.852 1.00100.00 O ATOM 1052 OE2 GLU A 69 -1.277 22.661 -13.159 1.00100.00 O1- ATOM 0 H GLU A 69 3.670 23.452 -11.619 1.00100.00 H new ATOM 0 HA GLU A 69 3.185 21.502 -13.664 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.038 24.285 -13.204 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.529 23.203 -14.485 1.00100.00 H new ATOM 0 HG2 GLU A 69 0.887 21.485 -12.792 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.419 22.547 -11.503 1.00100.00 H new