USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 424 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 18 SER OG : rot 160:sc= 1.44 USER MOD Set 1.2: A 25 SER OG : rot 32:sc= -0.577 USER MOD Single : A 9 THR OG1 : rot 8:sc= 0.825 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 150:sc= -0.15 USER MOD Single : A 20 THR OG1 : rot 63:sc= 0.0978 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.767 K(o=-0.77,f=-4.2!) USER MOD Single : A 36 ASN : amide:sc= -0.391 K(o=-0.39,f=-3.8!) USER MOD Single : A 37 ASN : amide:sc= -3.66! C(o=-3.7!,f=-6.2!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.91 K(o=-3.9,f=-2.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -66:sc= -0.736! USER MOD Single : A 59 ASN : amide:sc= -3.33! C(o=-3.3!,f=-1.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.141 14.475 -3.885 1.00 0.00 N ATOM 2 CA THR A 9 15.022 14.549 -2.904 1.00 0.00 C ATOM 3 C THR A 9 14.079 13.362 -3.114 1.00 0.00 C ATOM 4 O THR A 9 12.882 13.525 -3.251 1.00 0.00 O ATOM 5 CB THR A 9 14.253 15.857 -3.107 1.00 0.00 C ATOM 6 OG1 THR A 9 14.958 16.682 -4.024 1.00 0.00 O ATOM 7 CG2 THR A 9 14.114 16.583 -1.768 1.00 0.00 C ATOM 0 HA THR A 9 15.423 14.517 -1.891 1.00 0.00 H new ATOM 0 HB THR A 9 13.262 15.638 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.703 16.177 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.566 17.514 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.572 15.950 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.104 16.803 -1.369 1.00 0.00 H new ATOM 17 N PHE A 10 14.608 12.169 -3.139 1.00 0.00 N ATOM 18 CA PHE A 10 13.741 10.972 -3.340 1.00 0.00 C ATOM 19 C PHE A 10 13.620 10.203 -2.021 1.00 0.00 C ATOM 20 O PHE A 10 14.315 10.480 -1.064 1.00 0.00 O ATOM 21 CB PHE A 10 14.365 10.062 -4.404 1.00 0.00 C ATOM 22 CG PHE A 10 14.056 10.616 -5.798 1.00 0.00 C ATOM 23 CD1 PHE A 10 14.467 11.888 -6.154 1.00 0.00 C ATOM 24 CD2 PHE A 10 13.363 9.850 -6.721 1.00 0.00 C ATOM 25 CE1 PHE A 10 14.190 12.388 -7.410 1.00 0.00 C ATOM 26 CE2 PHE A 10 13.086 10.351 -7.977 1.00 0.00 C ATOM 27 CZ PHE A 10 13.500 11.619 -8.322 1.00 0.00 C ATOM 0 H PHE A 10 15.603 11.971 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 10 12.752 11.291 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.443 10.000 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.971 9.050 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.009 12.494 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.037 8.855 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.514 13.383 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.544 9.748 -8.690 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.284 12.010 -9.305 1.00 0.00 H new ATOM 37 N VAL A 11 12.739 9.241 -1.962 1.00 0.00 N ATOM 38 CA VAL A 11 12.573 8.455 -0.705 1.00 0.00 C ATOM 39 C VAL A 11 12.409 6.973 -1.051 1.00 0.00 C ATOM 40 O VAL A 11 12.032 6.624 -2.152 1.00 0.00 O ATOM 41 CB VAL A 11 11.330 8.946 0.041 1.00 0.00 C ATOM 42 CG1 VAL A 11 11.409 8.515 1.508 1.00 0.00 C ATOM 43 CG2 VAL A 11 11.261 10.472 -0.038 1.00 0.00 C ATOM 0 H VAL A 11 12.127 8.965 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 11 13.451 8.586 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 11 10.439 8.516 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.523 8.865 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.460 7.428 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.300 8.945 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.376 10.824 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 11 12.153 10.901 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.204 10.780 -1.082 1.00 0.00 H new ATOM 53 N ALA A 12 12.689 6.098 -0.124 1.00 0.00 N ATOM 54 CA ALA A 12 12.546 4.643 -0.412 1.00 0.00 C ATOM 55 C ALA A 12 11.097 4.211 -0.191 1.00 0.00 C ATOM 56 O ALA A 12 10.645 4.036 0.924 1.00 0.00 O ATOM 57 CB ALA A 12 13.468 3.841 0.508 1.00 0.00 C ATOM 0 H ALA A 12 13.009 6.327 0.817 1.00 0.00 H new ATOM 0 HA ALA A 12 12.822 4.456 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.360 2.778 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.502 4.142 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.200 4.031 1.547 1.00 0.00 H new ATOM 63 N LEU A 13 10.371 4.044 -1.257 1.00 0.00 N ATOM 64 CA LEU A 13 8.950 3.624 -1.160 1.00 0.00 C ATOM 65 C LEU A 13 8.865 2.165 -0.718 1.00 0.00 C ATOM 66 O LEU A 13 7.884 1.737 -0.142 1.00 0.00 O ATOM 67 CB LEU A 13 8.316 3.752 -2.550 1.00 0.00 C ATOM 68 CG LEU A 13 7.652 5.122 -2.758 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.141 4.940 -2.649 1.00 0.00 C ATOM 70 CD2 LEU A 13 8.126 6.146 -1.716 1.00 0.00 C ATOM 0 H LEU A 13 10.709 4.184 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 13 8.431 4.251 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.080 3.601 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.573 2.966 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 13 7.929 5.504 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.647 5.901 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.803 4.240 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.892 4.549 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.635 7.102 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.875 5.791 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.206 6.272 -1.795 1.00 0.00 H new ATOM 82 N TYR A 14 9.883 1.396 -0.979 1.00 0.00 N ATOM 83 CA TYR A 14 9.849 -0.034 -0.572 1.00 0.00 C ATOM 84 C TYR A 14 11.221 -0.468 -0.059 1.00 0.00 C ATOM 85 O TYR A 14 12.144 0.318 0.025 1.00 0.00 O ATOM 86 CB TYR A 14 9.472 -0.870 -1.787 1.00 0.00 C ATOM 87 CG TYR A 14 8.007 -0.632 -2.117 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.612 0.564 -2.668 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.064 -1.602 -1.869 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.286 0.792 -2.970 1.00 0.00 C ATOM 91 CE2 TYR A 14 5.736 -1.379 -2.169 1.00 0.00 C ATOM 92 CZ TYR A 14 5.336 -0.178 -2.723 1.00 0.00 C ATOM 93 OH TYR A 14 4.007 0.048 -3.024 1.00 0.00 O ATOM 0 H TYR A 14 10.734 1.695 -1.455 1.00 0.00 H new ATOM 0 HA TYR A 14 9.119 -0.173 0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.098 -0.601 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.645 -1.927 -1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.346 1.331 -2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.365 -2.545 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.989 1.736 -3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.004 -2.148 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 14 3.479 -0.742 -2.785 1.00 0.00 H new ATOM 103 N ASP A 15 11.362 -1.720 0.285 1.00 0.00 N ATOM 104 CA ASP A 15 12.671 -2.213 0.793 1.00 0.00 C ATOM 105 C ASP A 15 13.360 -3.022 -0.307 1.00 0.00 C ATOM 106 O ASP A 15 13.671 -4.184 -0.131 1.00 0.00 O ATOM 107 CB ASP A 15 12.444 -3.103 2.016 1.00 0.00 C ATOM 108 CG ASP A 15 11.299 -2.534 2.856 1.00 0.00 C ATOM 109 OD1 ASP A 15 10.962 -1.378 2.660 1.00 0.00 O ATOM 110 OD2 ASP A 15 10.778 -3.264 3.685 1.00 0.00 O ATOM 0 H ASP A 15 10.624 -2.423 0.235 1.00 0.00 H new ATOM 0 HA ASP A 15 13.298 -1.367 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.208 -4.119 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.354 -3.158 2.613 1.00 0.00 H new ATOM 115 N TYR A 16 13.590 -2.416 -1.442 1.00 0.00 N ATOM 116 CA TYR A 16 14.259 -3.138 -2.566 1.00 0.00 C ATOM 117 C TYR A 16 15.364 -4.044 -2.017 1.00 0.00 C ATOM 118 O TYR A 16 16.376 -3.580 -1.529 1.00 0.00 O ATOM 119 CB TYR A 16 14.872 -2.120 -3.529 1.00 0.00 C ATOM 120 CG TYR A 16 15.788 -2.840 -4.521 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.384 -4.014 -5.125 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.031 -2.325 -4.827 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.211 -4.663 -6.020 1.00 0.00 C ATOM 124 CE2 TYR A 16 17.857 -2.973 -5.722 1.00 0.00 C ATOM 125 CZ TYR A 16 17.454 -4.147 -6.326 1.00 0.00 C ATOM 126 OH TYR A 16 18.281 -4.795 -7.221 1.00 0.00 O ATOM 0 H TYR A 16 13.342 -1.447 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 16 13.522 -3.746 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.084 -1.590 -4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.437 -1.372 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.413 -4.428 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.360 -1.407 -4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.883 -5.581 -6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 16 18.827 -2.558 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 16 18.845 -4.138 -7.680 1.00 0.00 H new ATOM 136 N GLU A 17 15.176 -5.332 -2.093 1.00 0.00 N ATOM 137 CA GLU A 17 16.213 -6.268 -1.578 1.00 0.00 C ATOM 138 C GLU A 17 17.069 -6.767 -2.743 1.00 0.00 C ATOM 139 O GLU A 17 16.931 -7.889 -3.193 1.00 0.00 O ATOM 140 CB GLU A 17 15.534 -7.458 -0.896 1.00 0.00 C ATOM 141 CG GLU A 17 14.316 -7.888 -1.716 1.00 0.00 C ATOM 142 CD GLU A 17 13.803 -9.236 -1.200 1.00 0.00 C ATOM 143 OE1 GLU A 17 13.254 -9.261 -0.112 1.00 0.00 O ATOM 144 OE2 GLU A 17 13.969 -10.218 -1.904 1.00 0.00 O ATOM 0 H GLU A 17 14.348 -5.777 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 17 16.845 -5.750 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 17 16.235 -8.287 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.228 -7.186 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.531 -7.136 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.583 -7.968 -2.770 1.00 0.00 H new ATOM 151 N SER A 18 17.952 -5.943 -3.237 1.00 0.00 N ATOM 152 CA SER A 18 18.816 -6.366 -4.374 1.00 0.00 C ATOM 153 C SER A 18 19.325 -7.789 -4.131 1.00 0.00 C ATOM 154 O SER A 18 19.284 -8.294 -3.027 1.00 0.00 O ATOM 155 CB SER A 18 20.007 -5.412 -4.491 1.00 0.00 C ATOM 156 OG SER A 18 20.037 -4.552 -3.360 1.00 0.00 O ATOM 0 H SER A 18 18.112 -4.993 -2.901 1.00 0.00 H new ATOM 0 HA SER A 18 18.237 -6.342 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.936 -5.979 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.928 -4.825 -5.406 1.00 0.00 H new ATOM 0 HG SER A 18 20.935 -4.173 -3.261 1.00 0.00 H new ATOM 162 N ARG A 19 19.804 -8.440 -5.156 1.00 0.00 N ATOM 163 CA ARG A 19 20.315 -9.830 -4.985 1.00 0.00 C ATOM 164 C ARG A 19 21.844 -9.815 -4.999 1.00 0.00 C ATOM 165 O ARG A 19 22.490 -10.401 -4.152 1.00 0.00 O ATOM 166 CB ARG A 19 19.805 -10.705 -6.131 1.00 0.00 C ATOM 167 CG ARG A 19 18.324 -11.025 -5.912 1.00 0.00 C ATOM 168 CD ARG A 19 17.762 -11.711 -7.158 1.00 0.00 C ATOM 169 NE ARG A 19 16.499 -12.419 -6.809 1.00 0.00 N ATOM 170 CZ ARG A 19 15.353 -11.806 -6.924 1.00 0.00 C ATOM 171 NH1 ARG A 19 14.710 -11.834 -8.059 1.00 0.00 N ATOM 172 NH2 ARG A 19 14.851 -11.163 -5.906 1.00 0.00 N ATOM 0 H ARG A 19 19.864 -8.069 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 19 19.963 -10.233 -4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.940 -10.191 -7.083 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.383 -11.628 -6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.205 -11.672 -5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.769 -10.109 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.574 -10.974 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.490 -12.418 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 19 16.530 -13.384 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.103 -12.335 -8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.814 -11.355 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.354 -11.139 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.955 -10.684 -5.997 1.00 0.00 H new ATOM 186 N THR A 20 22.424 -9.149 -5.956 1.00 0.00 N ATOM 187 CA THR A 20 23.912 -9.092 -6.031 1.00 0.00 C ATOM 188 C THR A 20 24.427 -7.982 -5.113 1.00 0.00 C ATOM 189 O THR A 20 23.665 -7.321 -4.436 1.00 0.00 O ATOM 190 CB THR A 20 24.338 -8.805 -7.473 1.00 0.00 C ATOM 191 OG1 THR A 20 23.231 -8.285 -8.196 1.00 0.00 O ATOM 192 CG2 THR A 20 24.820 -10.097 -8.132 1.00 0.00 C ATOM 0 H THR A 20 21.933 -8.640 -6.691 1.00 0.00 H new ATOM 0 HA THR A 20 24.330 -10.047 -5.713 1.00 0.00 H new ATOM 0 HB THR A 20 25.149 -8.076 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 20 22.954 -7.432 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 20 25.123 -9.891 -9.159 1.00 0.00 H new ATOM 0 HG22 THR A 20 25.669 -10.494 -7.576 1.00 0.00 H new ATOM 0 HG23 THR A 20 24.012 -10.829 -8.132 1.00 0.00 H new ATOM 200 N GLU A 21 25.716 -7.771 -5.082 1.00 0.00 N ATOM 201 CA GLU A 21 26.275 -6.703 -4.206 1.00 0.00 C ATOM 202 C GLU A 21 26.185 -5.353 -4.918 1.00 0.00 C ATOM 203 O GLU A 21 26.011 -4.323 -4.297 1.00 0.00 O ATOM 204 CB GLU A 21 27.739 -7.017 -3.890 1.00 0.00 C ATOM 205 CG GLU A 21 28.160 -6.264 -2.625 1.00 0.00 C ATOM 206 CD GLU A 21 28.270 -7.249 -1.459 1.00 0.00 C ATOM 207 OE1 GLU A 21 28.826 -8.316 -1.661 1.00 0.00 O ATOM 208 OE2 GLU A 21 27.796 -6.919 -0.385 1.00 0.00 O ATOM 0 H GLU A 21 26.405 -8.292 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 21 25.703 -6.660 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 21 27.870 -8.090 -3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.373 -6.727 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 21 29.116 -5.766 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.432 -5.487 -2.392 1.00 0.00 H new ATOM 215 N THR A 22 26.305 -5.346 -6.217 1.00 0.00 N ATOM 216 CA THR A 22 26.226 -4.059 -6.964 1.00 0.00 C ATOM 217 C THR A 22 25.062 -3.227 -6.422 1.00 0.00 C ATOM 218 O THR A 22 25.239 -2.364 -5.585 1.00 0.00 O ATOM 219 CB THR A 22 26.001 -4.340 -8.452 1.00 0.00 C ATOM 220 OG1 THR A 22 25.814 -5.735 -8.647 1.00 0.00 O ATOM 221 CG2 THR A 22 27.218 -3.871 -9.252 1.00 0.00 C ATOM 0 H THR A 22 26.454 -6.175 -6.793 1.00 0.00 H new ATOM 0 HA THR A 22 27.159 -3.510 -6.837 1.00 0.00 H new ATOM 0 HB THR A 22 25.116 -3.803 -8.793 1.00 0.00 H new ATOM 0 HG1 THR A 22 25.668 -5.916 -9.599 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.057 -4.072 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 27.361 -2.801 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.105 -4.406 -8.912 1.00 0.00 H new ATOM 229 N ASP A 23 23.871 -3.479 -6.893 1.00 0.00 N ATOM 230 CA ASP A 23 22.697 -2.703 -6.405 1.00 0.00 C ATOM 231 C ASP A 23 22.655 -2.742 -4.875 1.00 0.00 C ATOM 232 O ASP A 23 22.592 -3.796 -4.275 1.00 0.00 O ATOM 233 CB ASP A 23 21.411 -3.317 -6.962 1.00 0.00 C ATOM 234 CG ASP A 23 21.566 -4.838 -7.049 1.00 0.00 C ATOM 235 OD1 ASP A 23 22.164 -5.404 -6.148 1.00 0.00 O ATOM 236 OD2 ASP A 23 21.084 -5.409 -8.013 1.00 0.00 O ATOM 0 H ASP A 23 23.661 -4.189 -7.595 1.00 0.00 H new ATOM 0 HA ASP A 23 22.784 -1.670 -6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.567 -3.063 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.197 -2.906 -7.948 1.00 0.00 H new ATOM 241 N LEU A 24 22.690 -1.601 -4.241 1.00 0.00 N ATOM 242 CA LEU A 24 22.652 -1.580 -2.751 1.00 0.00 C ATOM 243 C LEU A 24 21.214 -1.788 -2.282 1.00 0.00 C ATOM 244 O LEU A 24 20.293 -1.173 -2.782 1.00 0.00 O ATOM 245 CB LEU A 24 23.157 -0.231 -2.235 1.00 0.00 C ATOM 246 CG LEU A 24 24.545 0.052 -2.808 1.00 0.00 C ATOM 247 CD1 LEU A 24 24.920 1.508 -2.528 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.569 -0.871 -2.148 1.00 0.00 C ATOM 0 H LEU A 24 22.743 -0.686 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 24 23.290 -2.375 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 22.466 0.561 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 24 23.197 -0.239 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 24 24.538 -0.125 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 24 25.910 1.714 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 24 24.190 2.168 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 24 24.927 1.681 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.559 -0.668 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.578 -0.694 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 24 25.302 -1.910 -2.343 1.00 0.00 H new ATOM 260 N SER A 25 21.011 -2.648 -1.325 1.00 0.00 N ATOM 261 CA SER A 25 19.633 -2.890 -0.828 1.00 0.00 C ATOM 262 C SER A 25 19.281 -1.831 0.218 1.00 0.00 C ATOM 263 O SER A 25 19.938 -1.703 1.231 1.00 0.00 O ATOM 264 CB SER A 25 19.560 -4.278 -0.194 1.00 0.00 C ATOM 265 OG SER A 25 19.408 -5.256 -1.212 1.00 0.00 O ATOM 0 H SER A 25 21.741 -3.193 -0.866 1.00 0.00 H new ATOM 0 HA SER A 25 18.928 -2.832 -1.657 1.00 0.00 H new ATOM 0 HB2 SER A 25 20.464 -4.475 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.722 -4.328 0.501 1.00 0.00 H new ATOM 0 HG SER A 25 19.863 -4.954 -2.026 1.00 0.00 H new ATOM 271 N PHE A 26 18.249 -1.071 -0.020 1.00 0.00 N ATOM 272 CA PHE A 26 17.859 -0.021 0.962 1.00 0.00 C ATOM 273 C PHE A 26 16.548 -0.416 1.642 1.00 0.00 C ATOM 274 O PHE A 26 16.019 -1.488 1.422 1.00 0.00 O ATOM 275 CB PHE A 26 17.681 1.318 0.242 1.00 0.00 C ATOM 276 CG PHE A 26 16.719 1.151 -0.938 1.00 0.00 C ATOM 277 CD1 PHE A 26 15.355 1.269 -0.749 1.00 0.00 C ATOM 278 CD2 PHE A 26 17.203 0.896 -2.211 1.00 0.00 C ATOM 279 CE1 PHE A 26 14.486 1.135 -1.814 1.00 0.00 C ATOM 280 CE2 PHE A 26 16.332 0.763 -3.276 1.00 0.00 C ATOM 281 CZ PHE A 26 14.974 0.883 -3.076 1.00 0.00 C ATOM 0 H PHE A 26 17.660 -1.131 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 26 18.641 0.076 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.294 2.065 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 26 18.646 1.681 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.966 1.467 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 26 18.267 0.801 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 26 13.422 1.228 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.716 0.565 -4.266 1.00 0.00 H new ATOM 0 HZ PHE A 26 14.294 0.779 -3.908 1.00 0.00 H new ATOM 291 N LYS A 27 16.018 0.445 2.467 1.00 0.00 N ATOM 292 CA LYS A 27 14.741 0.122 3.162 1.00 0.00 C ATOM 293 C LYS A 27 13.800 1.322 3.082 1.00 0.00 C ATOM 294 O LYS A 27 14.225 2.448 2.910 1.00 0.00 O ATOM 295 CB LYS A 27 15.027 -0.202 4.630 1.00 0.00 C ATOM 296 CG LYS A 27 15.290 -1.702 4.780 1.00 0.00 C ATOM 297 CD LYS A 27 16.008 -1.963 6.105 1.00 0.00 C ATOM 298 CE LYS A 27 16.072 -3.470 6.363 1.00 0.00 C ATOM 299 NZ LYS A 27 15.407 -3.780 7.660 1.00 0.00 N ATOM 0 H LYS A 27 16.414 1.358 2.689 1.00 0.00 H new ATOM 0 HA LYS A 27 14.275 -0.739 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.890 0.366 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.181 0.093 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.349 -2.252 4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.896 -2.061 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.014 -1.546 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.482 -1.466 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.582 -4.010 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.110 -3.802 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.450 -4.804 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.893 -3.276 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.413 -3.477 7.622 1.00 0.00 H new ATOM 313 N LYS A 28 12.522 1.094 3.207 1.00 0.00 N ATOM 314 CA LYS A 28 11.553 2.222 3.139 1.00 0.00 C ATOM 315 C LYS A 28 11.731 3.118 4.367 1.00 0.00 C ATOM 316 O LYS A 28 11.292 2.794 5.453 1.00 0.00 O ATOM 317 CB LYS A 28 10.127 1.664 3.112 1.00 0.00 C ATOM 318 CG LYS A 28 9.129 2.792 3.384 1.00 0.00 C ATOM 319 CD LYS A 28 8.392 2.513 4.695 1.00 0.00 C ATOM 320 CE LYS A 28 7.638 3.769 5.134 1.00 0.00 C ATOM 321 NZ LYS A 28 7.478 3.758 6.616 1.00 0.00 N ATOM 0 H LYS A 28 12.107 0.174 3.353 1.00 0.00 H new ATOM 0 HA LYS A 28 11.731 2.806 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.922 1.209 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.018 0.880 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.650 3.747 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.417 2.868 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.695 1.685 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.101 2.213 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.182 4.661 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.661 3.807 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.965 4.612 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.942 2.914 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.415 3.741 7.066 1.00 0.00 H new ATOM 335 N GLY A 29 12.375 4.241 4.204 1.00 0.00 N ATOM 336 CA GLY A 29 12.582 5.158 5.361 1.00 0.00 C ATOM 337 C GLY A 29 13.806 6.038 5.100 1.00 0.00 C ATOM 338 O GLY A 29 13.787 7.230 5.338 1.00 0.00 O ATOM 0 H GLY A 29 12.767 4.564 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.699 5.779 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.723 4.582 6.275 1.00 0.00 H new ATOM 342 N GLU A 30 14.870 5.463 4.610 1.00 0.00 N ATOM 343 CA GLU A 30 16.093 6.270 4.335 1.00 0.00 C ATOM 344 C GLU A 30 15.915 7.039 3.025 1.00 0.00 C ATOM 345 O GLU A 30 15.343 6.543 2.075 1.00 0.00 O ATOM 346 CB GLU A 30 17.303 5.339 4.219 1.00 0.00 C ATOM 347 CG GLU A 30 18.254 5.591 5.392 1.00 0.00 C ATOM 348 CD GLU A 30 18.121 4.455 6.408 1.00 0.00 C ATOM 349 OE1 GLU A 30 17.033 4.278 6.931 1.00 0.00 O ATOM 350 OE2 GLU A 30 19.110 3.781 6.646 1.00 0.00 O ATOM 0 H GLU A 30 14.946 4.470 4.388 1.00 0.00 H new ATOM 0 HA GLU A 30 16.253 6.975 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.977 4.299 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.819 5.512 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.282 5.655 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.021 6.545 5.865 1.00 0.00 H new ATOM 357 N ARG A 31 16.399 8.250 2.968 1.00 0.00 N ATOM 358 CA ARG A 31 16.259 9.053 1.721 1.00 0.00 C ATOM 359 C ARG A 31 17.467 8.806 0.814 1.00 0.00 C ATOM 360 O ARG A 31 18.567 8.585 1.277 1.00 0.00 O ATOM 361 CB ARG A 31 16.186 10.538 2.080 1.00 0.00 C ATOM 362 CG ARG A 31 14.730 10.925 2.352 1.00 0.00 C ATOM 363 CD ARG A 31 14.497 12.372 1.915 1.00 0.00 C ATOM 364 NE ARG A 31 14.378 13.243 3.119 1.00 0.00 N ATOM 365 CZ ARG A 31 14.066 14.503 2.985 1.00 0.00 C ATOM 366 NH1 ARG A 31 13.357 14.894 1.961 1.00 0.00 N ATOM 367 NH2 ARG A 31 14.463 15.371 3.873 1.00 0.00 N ATOM 0 H ARG A 31 16.886 8.718 3.732 1.00 0.00 H new ATOM 0 HA ARG A 31 15.349 8.758 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 31 16.798 10.741 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 31 16.588 11.140 1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.058 10.258 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.505 10.813 3.413 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.322 12.711 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.591 12.440 1.313 1.00 0.00 H new ATOM 0 HE ARG A 31 14.540 12.854 4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.047 14.215 1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.113 15.879 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.018 15.065 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.219 16.356 3.768 1.00 0.00 H new ATOM 381 N LEU A 32 17.270 8.842 -0.477 1.00 0.00 N ATOM 382 CA LEU A 32 18.407 8.610 -1.411 1.00 0.00 C ATOM 383 C LEU A 32 18.454 9.737 -2.445 1.00 0.00 C ATOM 384 O LEU A 32 17.572 10.568 -2.511 1.00 0.00 O ATOM 385 CB LEU A 32 18.216 7.271 -2.127 1.00 0.00 C ATOM 386 CG LEU A 32 17.526 6.280 -1.187 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.071 6.097 -1.619 1.00 0.00 C ATOM 388 CD2 LEU A 32 18.249 4.934 -1.245 1.00 0.00 C ATOM 0 H LEU A 32 16.371 9.022 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 32 19.340 8.591 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.618 7.411 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.181 6.876 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 32 17.557 6.664 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.579 5.391 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.556 7.057 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.040 5.713 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.758 4.228 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.219 4.549 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.286 5.065 -0.937 1.00 0.00 H new ATOM 400 N GLN A 33 19.479 9.771 -3.252 1.00 0.00 N ATOM 401 CA GLN A 33 19.579 10.846 -4.280 1.00 0.00 C ATOM 402 C GLN A 33 19.750 10.217 -5.665 1.00 0.00 C ATOM 403 O GLN A 33 20.816 9.756 -6.020 1.00 0.00 O ATOM 404 CB GLN A 33 20.786 11.735 -3.972 1.00 0.00 C ATOM 405 CG GLN A 33 20.637 12.331 -2.571 1.00 0.00 C ATOM 406 CD GLN A 33 21.400 13.655 -2.494 1.00 0.00 C ATOM 407 OE1 GLN A 33 22.487 13.712 -1.956 1.00 0.00 O ATOM 408 NE2 GLN A 33 20.873 14.729 -3.017 1.00 0.00 N ATOM 0 H GLN A 33 20.250 9.103 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 33 18.670 11.447 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.705 11.153 -4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 33 20.862 12.532 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 33 19.583 12.493 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.021 11.634 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 33 19.960 14.681 -3.469 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.374 15.616 -2.974 1.00 0.00 H new ATOM 417 N ILE A 34 18.706 10.194 -6.451 1.00 0.00 N ATOM 418 CA ILE A 34 18.812 9.594 -7.813 1.00 0.00 C ATOM 419 C ILE A 34 20.111 10.065 -8.470 1.00 0.00 C ATOM 420 O ILE A 34 20.644 11.104 -8.136 1.00 0.00 O ATOM 421 CB ILE A 34 17.618 10.036 -8.664 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.317 9.785 -7.897 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.598 9.233 -9.966 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.303 8.349 -7.370 1.00 0.00 C ATOM 0 H ILE A 34 17.787 10.564 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 34 18.814 8.507 -7.734 1.00 0.00 H new ATOM 0 HB ILE A 34 17.708 11.099 -8.888 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.229 10.488 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.460 9.952 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.749 9.546 -10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.522 9.409 -10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.509 8.171 -9.737 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.377 8.171 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.371 7.654 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.152 8.198 -6.703 1.00 0.00 H new ATOM 436 N VAL A 35 20.624 9.310 -9.404 1.00 0.00 N ATOM 437 CA VAL A 35 21.889 9.724 -10.076 1.00 0.00 C ATOM 438 C VAL A 35 21.687 9.760 -11.591 1.00 0.00 C ATOM 439 O VAL A 35 22.304 10.541 -12.288 1.00 0.00 O ATOM 440 CB VAL A 35 22.996 8.725 -9.731 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.274 9.097 -10.484 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.263 8.763 -8.224 1.00 0.00 C ATOM 0 H VAL A 35 20.225 8.430 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 35 22.171 10.719 -9.731 1.00 0.00 H new ATOM 0 HB VAL A 35 22.684 7.722 -10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 35 25.062 8.385 -10.238 1.00 0.00 H new ATOM 0 HG12 VAL A 35 24.084 9.072 -11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.588 10.100 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.051 8.052 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.575 9.767 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.353 8.497 -7.686 1.00 0.00 H new ATOM 452 N ASN A 36 20.830 8.925 -12.112 1.00 0.00 N ATOM 453 CA ASN A 36 20.602 8.926 -13.587 1.00 0.00 C ATOM 454 C ASN A 36 19.267 8.255 -13.914 1.00 0.00 C ATOM 455 O ASN A 36 18.599 7.720 -13.052 1.00 0.00 O ATOM 456 CB ASN A 36 21.734 8.162 -14.276 1.00 0.00 C ATOM 457 CG ASN A 36 22.362 9.043 -15.358 1.00 0.00 C ATOM 458 OD1 ASN A 36 22.066 10.218 -15.447 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.220 8.521 -16.191 1.00 0.00 N ATOM 0 H ASN A 36 20.281 8.246 -11.585 1.00 0.00 H new ATOM 0 HA ASN A 36 20.580 9.956 -13.943 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.489 7.872 -13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.350 7.243 -14.719 1.00 0.00 H new ATOM 0 HD21 ASN A 36 23.642 9.099 -16.917 1.00 0.00 H new ATOM 0 HD22 ASN A 36 23.468 7.535 -16.116 1.00 0.00 H new ATOM 466 N ASN A 37 18.875 8.282 -15.160 1.00 0.00 N ATOM 467 CA ASN A 37 17.585 7.650 -15.557 1.00 0.00 C ATOM 468 C ASN A 37 16.419 8.370 -14.878 1.00 0.00 C ATOM 469 O ASN A 37 16.062 8.077 -13.753 1.00 0.00 O ATOM 470 CB ASN A 37 17.590 6.178 -15.147 1.00 0.00 C ATOM 471 CG ASN A 37 16.517 5.430 -15.942 1.00 0.00 C ATOM 472 OD1 ASN A 37 15.350 5.759 -15.869 1.00 0.00 O ATOM 473 ND2 ASN A 37 16.867 4.429 -16.704 1.00 0.00 N ATOM 0 H ASN A 37 19.395 8.716 -15.922 1.00 0.00 H new ATOM 0 HA ASN A 37 17.467 7.726 -16.638 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.570 5.739 -15.334 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.398 6.085 -14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.160 3.923 -17.238 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.847 4.153 -16.765 1.00 0.00 H new ATOM 480 N THR A 38 15.827 9.313 -15.556 1.00 0.00 N ATOM 481 CA THR A 38 14.683 10.060 -14.964 1.00 0.00 C ATOM 482 C THR A 38 13.388 9.295 -15.242 1.00 0.00 C ATOM 483 O THR A 38 12.477 9.279 -14.439 1.00 0.00 O ATOM 484 CB THR A 38 14.598 11.448 -15.604 1.00 0.00 C ATOM 485 OG1 THR A 38 13.534 12.178 -15.007 1.00 0.00 O ATOM 486 CG2 THR A 38 14.341 11.303 -17.105 1.00 0.00 C ATOM 0 H THR A 38 16.088 9.600 -16.499 1.00 0.00 H new ATOM 0 HA THR A 38 14.827 10.163 -13.888 1.00 0.00 H new ATOM 0 HB THR A 38 15.536 11.980 -15.448 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.479 13.068 -15.414 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.280 12.291 -17.561 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.157 10.742 -17.561 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.402 10.772 -17.264 1.00 0.00 H new ATOM 494 N GLU A 39 13.306 8.658 -16.378 1.00 0.00 N ATOM 495 CA GLU A 39 12.078 7.888 -16.721 1.00 0.00 C ATOM 496 C GLU A 39 11.789 6.866 -15.622 1.00 0.00 C ATOM 497 O GLU A 39 12.347 6.926 -14.546 1.00 0.00 O ATOM 498 CB GLU A 39 12.294 7.161 -18.051 1.00 0.00 C ATOM 499 CG GLU A 39 11.689 7.988 -19.186 1.00 0.00 C ATOM 500 CD GLU A 39 12.550 9.229 -19.432 1.00 0.00 C ATOM 501 OE1 GLU A 39 13.667 9.068 -19.897 1.00 0.00 O ATOM 502 OE2 GLU A 39 12.077 10.318 -19.153 1.00 0.00 O ATOM 0 H GLU A 39 14.040 8.638 -17.086 1.00 0.00 H new ATOM 0 HA GLU A 39 11.233 8.570 -16.809 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.359 7.008 -18.226 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.831 6.175 -18.018 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.629 7.389 -20.094 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.671 8.284 -18.932 1.00 0.00 H new ATOM 509 N GLY A 40 10.911 5.938 -15.880 1.00 0.00 N ATOM 510 CA GLY A 40 10.582 4.908 -14.852 1.00 0.00 C ATOM 511 C GLY A 40 11.275 3.591 -15.216 1.00 0.00 C ATOM 512 O GLY A 40 10.832 2.868 -16.087 1.00 0.00 O ATOM 0 H GLY A 40 10.405 5.847 -16.761 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.907 5.243 -13.867 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.503 4.762 -14.799 1.00 0.00 H new ATOM 516 N ASP A 41 12.353 3.269 -14.551 1.00 0.00 N ATOM 517 CA ASP A 41 13.072 2.002 -14.860 1.00 0.00 C ATOM 518 C ASP A 41 13.957 1.609 -13.666 1.00 0.00 C ATOM 519 O ASP A 41 13.472 1.202 -12.630 1.00 0.00 O ATOM 520 CB ASP A 41 13.949 2.216 -16.096 1.00 0.00 C ATOM 521 CG ASP A 41 13.076 2.599 -17.292 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.744 3.768 -17.408 1.00 0.00 O ATOM 523 OD2 ASP A 41 12.754 1.718 -18.072 1.00 0.00 O ATOM 0 H ASP A 41 12.766 3.831 -13.806 1.00 0.00 H new ATOM 0 HA ASP A 41 12.352 1.207 -15.051 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.681 3.000 -15.902 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.508 1.307 -16.318 1.00 0.00 H new ATOM 528 N TRP A 42 15.253 1.725 -13.806 1.00 0.00 N ATOM 529 CA TRP A 42 16.172 1.366 -12.695 1.00 0.00 C ATOM 530 C TRP A 42 17.210 2.476 -12.577 1.00 0.00 C ATOM 531 O TRP A 42 18.291 2.400 -13.128 1.00 0.00 O ATOM 532 CB TRP A 42 16.853 0.033 -13.006 1.00 0.00 C ATOM 533 CG TRP A 42 15.791 -1.066 -13.038 1.00 0.00 C ATOM 534 CD1 TRP A 42 14.850 -1.197 -13.987 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.636 -2.008 -12.111 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.138 -2.248 -13.580 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.558 -2.815 -12.418 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.373 -2.246 -10.969 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.219 -3.858 -11.582 1.00 0.00 C ATOM 540 CZ3 TRP A 42 16.034 -3.290 -10.133 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.957 -4.096 -10.440 1.00 0.00 C ATOM 0 H TRP A 42 15.714 2.057 -14.653 1.00 0.00 H new ATOM 0 HA TRP A 42 15.627 1.261 -11.757 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.369 0.087 -13.965 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.606 -0.192 -12.251 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.704 -0.594 -14.871 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.336 -2.601 -14.103 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.216 -1.615 -10.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.376 -4.489 -11.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.611 -3.476 -9.239 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.691 -4.914 -9.786 1.00 0.00 H new ATOM 552 N TRP A 43 16.880 3.506 -11.859 1.00 0.00 N ATOM 553 CA TRP A 43 17.824 4.642 -11.688 1.00 0.00 C ATOM 554 C TRP A 43 18.885 4.300 -10.645 1.00 0.00 C ATOM 555 O TRP A 43 18.753 3.358 -9.892 1.00 0.00 O ATOM 556 CB TRP A 43 17.029 5.863 -11.230 1.00 0.00 C ATOM 557 CG TRP A 43 15.664 5.858 -11.921 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.421 5.350 -13.144 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.550 6.384 -11.418 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.133 5.610 -13.340 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.508 6.250 -12.316 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.336 6.990 -10.196 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.253 6.725 -11.988 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.082 7.464 -9.871 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.041 7.332 -10.767 1.00 0.00 C ATOM 0 H TRP A 43 15.987 3.613 -11.377 1.00 0.00 H new ATOM 0 HA TRP A 43 18.326 4.847 -12.634 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.903 5.845 -10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.570 6.777 -11.473 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.110 4.850 -13.808 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.647 5.348 -14.198 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.151 7.093 -9.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.437 6.621 -12.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.915 7.938 -8.915 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.060 7.704 -10.513 1.00 0.00 H new ATOM 576 N LEU A 44 19.942 5.064 -10.600 1.00 0.00 N ATOM 577 CA LEU A 44 21.019 4.793 -9.610 1.00 0.00 C ATOM 578 C LEU A 44 20.930 5.819 -8.482 1.00 0.00 C ATOM 579 O LEU A 44 21.264 6.974 -8.653 1.00 0.00 O ATOM 580 CB LEU A 44 22.382 4.908 -10.295 1.00 0.00 C ATOM 581 CG LEU A 44 23.476 4.450 -9.331 1.00 0.00 C ATOM 582 CD1 LEU A 44 23.436 2.928 -9.199 1.00 0.00 C ATOM 583 CD2 LEU A 44 24.842 4.880 -9.870 1.00 0.00 C ATOM 0 H LEU A 44 20.105 5.866 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 44 20.901 3.788 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.400 4.298 -11.198 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.561 5.938 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 44 23.312 4.903 -8.353 1.00 0.00 H new ATOM 0 HD11 LEU A 44 24.216 2.602 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 22.463 2.622 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 44 23.600 2.474 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 44 25.623 4.554 -9.183 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.006 4.427 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 44 24.871 5.966 -9.963 1.00 0.00 H new ATOM 595 N ALA A 45 20.483 5.410 -7.327 1.00 0.00 N ATOM 596 CA ALA A 45 20.376 6.370 -6.195 1.00 0.00 C ATOM 597 C ALA A 45 21.611 6.247 -5.301 1.00 0.00 C ATOM 598 O ALA A 45 22.173 5.181 -5.143 1.00 0.00 O ATOM 599 CB ALA A 45 19.122 6.059 -5.375 1.00 0.00 C ATOM 0 H ALA A 45 20.188 4.456 -7.119 1.00 0.00 H new ATOM 0 HA ALA A 45 20.311 7.385 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.045 6.763 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.241 6.148 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.186 5.044 -4.984 1.00 0.00 H new ATOM 605 N HIS A 46 22.036 7.331 -4.716 1.00 0.00 N ATOM 606 CA HIS A 46 23.233 7.288 -3.830 1.00 0.00 C ATOM 607 C HIS A 46 22.790 7.486 -2.377 1.00 0.00 C ATOM 608 O HIS A 46 22.086 8.422 -2.054 1.00 0.00 O ATOM 609 CB HIS A 46 24.203 8.403 -4.247 1.00 0.00 C ATOM 610 CG HIS A 46 25.150 8.743 -3.089 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.311 8.262 -2.931 1.00 0.00 N ATOM 612 CD2 HIS A 46 24.971 9.604 -2.023 1.00 0.00 C ATOM 613 CE1 HIS A 46 26.858 8.741 -1.877 1.00 0.00 C ATOM 614 NE2 HIS A 46 26.069 9.598 -1.250 1.00 0.00 N ATOM 0 H HIS A 46 21.604 8.250 -4.814 1.00 0.00 H new ATOM 0 HA HIS A 46 23.735 6.325 -3.920 1.00 0.00 H new ATOM 0 HB2 HIS A 46 24.779 8.087 -5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 46 23.643 9.291 -4.541 1.00 0.00 H new ATOM 0 HD2 HIS A 46 24.084 10.192 -1.840 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.849 8.476 -1.539 1.00 0.00 H new ATOM 0 HE2 HIS A 46 26.249 10.123 -0.394 1.00 0.00 H new ATOM 622 N SER A 47 23.194 6.609 -1.498 1.00 0.00 N ATOM 623 CA SER A 47 22.798 6.746 -0.069 1.00 0.00 C ATOM 624 C SER A 47 23.730 7.740 0.627 1.00 0.00 C ATOM 625 O SER A 47 24.907 7.812 0.335 1.00 0.00 O ATOM 626 CB SER A 47 22.897 5.384 0.622 1.00 0.00 C ATOM 627 OG SER A 47 22.742 4.352 -0.341 1.00 0.00 O ATOM 0 H SER A 47 23.782 5.803 -1.709 1.00 0.00 H new ATOM 0 HA SER A 47 21.772 7.109 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.861 5.287 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.129 5.297 1.390 1.00 0.00 H new ATOM 0 HG SER A 47 22.807 3.480 0.101 1.00 0.00 H new ATOM 633 N LEU A 48 23.214 8.509 1.545 1.00 0.00 N ATOM 634 CA LEU A 48 24.070 9.498 2.259 1.00 0.00 C ATOM 635 C LEU A 48 24.666 8.847 3.508 1.00 0.00 C ATOM 636 O LEU A 48 25.039 9.515 4.453 1.00 0.00 O ATOM 637 CB LEU A 48 23.221 10.704 2.663 1.00 0.00 C ATOM 638 CG LEU A 48 22.374 11.148 1.467 1.00 0.00 C ATOM 639 CD1 LEU A 48 21.421 12.264 1.899 1.00 0.00 C ATOM 640 CD2 LEU A 48 23.293 11.661 0.356 1.00 0.00 C ATOM 0 H LEU A 48 22.235 8.495 1.832 1.00 0.00 H new ATOM 0 HA LEU A 48 24.877 9.826 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.577 10.445 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.863 11.521 2.993 1.00 0.00 H new ATOM 0 HG LEU A 48 21.794 10.302 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.819 12.579 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.766 11.898 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.998 13.112 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.692 11.978 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 48 23.873 12.507 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 48 23.970 10.864 0.047 1.00 0.00 H new ATOM 652 N THR A 49 24.760 7.545 3.519 1.00 0.00 N ATOM 653 CA THR A 49 25.333 6.849 4.705 1.00 0.00 C ATOM 654 C THR A 49 26.717 6.301 4.355 1.00 0.00 C ATOM 655 O THR A 49 27.728 6.888 4.684 1.00 0.00 O ATOM 656 CB THR A 49 24.416 5.693 5.111 1.00 0.00 C ATOM 657 OG1 THR A 49 23.278 5.670 4.260 1.00 0.00 O ATOM 658 CG2 THR A 49 23.969 5.879 6.561 1.00 0.00 C ATOM 0 H THR A 49 24.465 6.934 2.758 1.00 0.00 H new ATOM 0 HA THR A 49 25.419 7.553 5.533 1.00 0.00 H new ATOM 0 HB THR A 49 24.957 4.751 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 49 22.691 4.929 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 49 23.316 5.055 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.843 5.894 7.212 1.00 0.00 H new ATOM 0 HG23 THR A 49 23.429 6.821 6.657 1.00 0.00 H new ATOM 666 N THR A 50 26.770 5.180 3.691 1.00 0.00 N ATOM 667 CA THR A 50 28.088 4.595 3.318 1.00 0.00 C ATOM 668 C THR A 50 28.775 5.500 2.294 1.00 0.00 C ATOM 669 O THR A 50 29.981 5.646 2.290 1.00 0.00 O ATOM 670 CB THR A 50 27.874 3.208 2.710 1.00 0.00 C ATOM 671 OG1 THR A 50 27.337 2.337 3.695 1.00 0.00 O ATOM 672 CG2 THR A 50 29.211 2.657 2.210 1.00 0.00 C ATOM 0 H THR A 50 25.957 4.643 3.390 1.00 0.00 H new ATOM 0 HA THR A 50 28.714 4.511 4.206 1.00 0.00 H new ATOM 0 HB THR A 50 27.179 3.281 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 50 27.198 1.449 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 50 29.058 1.669 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 50 29.620 3.326 1.453 1.00 0.00 H new ATOM 0 HG23 THR A 50 29.909 2.584 3.044 1.00 0.00 H new ATOM 680 N GLY A 51 28.015 6.110 1.426 1.00 0.00 N ATOM 681 CA GLY A 51 28.623 7.006 0.403 1.00 0.00 C ATOM 682 C GLY A 51 28.852 6.219 -0.891 1.00 0.00 C ATOM 683 O GLY A 51 29.438 6.714 -1.833 1.00 0.00 O ATOM 0 H GLY A 51 26.999 6.026 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.968 7.857 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.568 7.407 0.770 1.00 0.00 H new ATOM 687 N GLN A 52 28.396 4.997 -0.943 1.00 0.00 N ATOM 688 CA GLN A 52 28.589 4.181 -2.175 1.00 0.00 C ATOM 689 C GLN A 52 27.399 4.385 -3.115 1.00 0.00 C ATOM 690 O GLN A 52 26.502 5.157 -2.842 1.00 0.00 O ATOM 691 CB GLN A 52 28.695 2.702 -1.796 1.00 0.00 C ATOM 692 CG GLN A 52 30.166 2.283 -1.790 1.00 0.00 C ATOM 693 CD GLN A 52 30.278 0.808 -1.399 1.00 0.00 C ATOM 694 OE1 GLN A 52 30.033 -0.067 -2.204 1.00 0.00 O ATOM 695 NE2 GLN A 52 30.642 0.495 -0.185 1.00 0.00 N ATOM 0 H GLN A 52 27.898 4.529 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 52 29.505 4.493 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 52 28.254 2.535 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 52 28.135 2.093 -2.505 1.00 0.00 H new ATOM 0 HG2 GLN A 52 30.604 2.443 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 52 30.727 2.899 -1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 52 30.848 1.230 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.721 -0.485 0.087 1.00 0.00 H new ATOM 704 N THR A 53 27.387 3.696 -4.224 1.00 0.00 N ATOM 705 CA THR A 53 26.260 3.843 -5.188 1.00 0.00 C ATOM 706 C THR A 53 25.351 2.612 -5.088 1.00 0.00 C ATOM 707 O THR A 53 25.815 1.500 -4.935 1.00 0.00 O ATOM 708 CB THR A 53 26.835 3.976 -6.609 1.00 0.00 C ATOM 709 OG1 THR A 53 27.080 5.347 -6.891 1.00 0.00 O ATOM 710 CG2 THR A 53 25.853 3.418 -7.644 1.00 0.00 C ATOM 0 H THR A 53 28.112 3.036 -4.504 1.00 0.00 H new ATOM 0 HA THR A 53 25.674 4.732 -4.957 1.00 0.00 H new ATOM 0 HB THR A 53 27.764 3.409 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.448 5.434 -7.795 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.279 3.522 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.666 2.364 -7.437 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.915 3.971 -7.590 1.00 0.00 H new ATOM 718 N GLY A 54 24.061 2.799 -5.185 1.00 0.00 N ATOM 719 CA GLY A 54 23.137 1.636 -5.093 1.00 0.00 C ATOM 720 C GLY A 54 21.968 1.809 -6.069 1.00 0.00 C ATOM 721 O GLY A 54 21.223 2.767 -6.003 1.00 0.00 O ATOM 0 H GLY A 54 23.611 3.704 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.676 0.716 -5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.759 1.542 -4.075 1.00 0.00 H new ATOM 725 N TYR A 55 21.807 0.883 -6.976 1.00 0.00 N ATOM 726 CA TYR A 55 20.692 0.977 -7.962 1.00 0.00 C ATOM 727 C TYR A 55 19.366 0.683 -7.254 1.00 0.00 C ATOM 728 O TYR A 55 19.306 -0.109 -6.335 1.00 0.00 O ATOM 729 CB TYR A 55 20.908 -0.061 -9.068 1.00 0.00 C ATOM 730 CG TYR A 55 21.549 0.600 -10.290 1.00 0.00 C ATOM 731 CD1 TYR A 55 20.776 1.291 -11.201 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.908 0.499 -10.508 1.00 0.00 C ATOM 733 CE1 TYR A 55 21.354 1.871 -12.313 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.486 1.078 -11.619 1.00 0.00 C ATOM 735 CZ TYR A 55 22.713 1.768 -12.530 1.00 0.00 C ATOM 736 OH TYR A 55 23.291 2.344 -13.644 1.00 0.00 O ATOM 0 H TYR A 55 22.403 0.061 -7.077 1.00 0.00 H new ATOM 0 HA TYR A 55 20.667 1.978 -8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 55 21.546 -0.866 -8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.955 -0.511 -9.346 1.00 0.00 H new ATOM 0 HD1 TYR A 55 19.711 1.379 -11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.525 -0.038 -9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 55 20.738 2.409 -13.018 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.551 0.990 -11.777 1.00 0.00 H new ATOM 0 HH TYR A 55 24.256 2.174 -13.637 1.00 0.00 H new ATOM 746 N ILE A 56 18.302 1.313 -7.673 1.00 0.00 N ATOM 747 CA ILE A 56 16.984 1.066 -7.023 1.00 0.00 C ATOM 748 C ILE A 56 15.892 1.044 -8.105 1.00 0.00 C ATOM 749 O ILE A 56 15.848 1.918 -8.947 1.00 0.00 O ATOM 750 CB ILE A 56 16.690 2.177 -6.004 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.213 3.438 -6.727 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.964 2.500 -5.215 1.00 0.00 C ATOM 753 CD1 ILE A 56 17.333 3.960 -7.624 1.00 0.00 C ATOM 0 H ILE A 56 18.289 1.988 -8.438 1.00 0.00 H new ATOM 0 HA ILE A 56 17.003 0.109 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 56 15.911 1.835 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 56 15.328 3.216 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 56 15.927 4.200 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.754 3.288 -4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 56 18.303 1.607 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.742 2.834 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.996 4.859 -8.141 1.00 0.00 H new ATOM 0 HD12 ILE A 56 18.206 4.197 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.597 3.198 -8.357 1.00 0.00 H new ATOM 765 N PRO A 57 15.042 0.046 -8.052 1.00 0.00 N ATOM 766 CA PRO A 57 13.946 -0.096 -9.028 1.00 0.00 C ATOM 767 C PRO A 57 13.034 1.133 -8.990 1.00 0.00 C ATOM 768 O PRO A 57 12.953 1.828 -7.997 1.00 0.00 O ATOM 769 CB PRO A 57 13.185 -1.354 -8.586 1.00 0.00 C ATOM 770 CG PRO A 57 13.909 -1.928 -7.340 1.00 0.00 C ATOM 771 CD PRO A 57 15.098 -1.006 -7.022 1.00 0.00 C ATOM 0 HA PRO A 57 14.312 -0.180 -10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.149 -1.111 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.164 -2.090 -9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.227 -1.979 -6.491 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.254 -2.944 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.015 -0.584 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.042 -1.549 -7.062 1.00 0.00 H new ATOM 779 N SER A 58 12.347 1.405 -10.067 1.00 0.00 N ATOM 780 CA SER A 58 11.440 2.588 -10.097 1.00 0.00 C ATOM 781 C SER A 58 10.130 2.250 -9.383 1.00 0.00 C ATOM 782 O SER A 58 9.219 3.052 -9.326 1.00 0.00 O ATOM 783 CB SER A 58 11.142 2.964 -11.551 1.00 0.00 C ATOM 784 OG SER A 58 11.234 1.806 -12.367 1.00 0.00 O ATOM 0 H SER A 58 12.375 0.858 -10.928 1.00 0.00 H new ATOM 0 HA SER A 58 11.922 3.426 -9.593 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.145 3.399 -11.629 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.847 3.721 -11.894 1.00 0.00 H new ATOM 0 HG SER A 58 12.162 1.491 -12.385 1.00 0.00 H new ATOM 790 N ASN A 59 10.027 1.069 -8.839 1.00 0.00 N ATOM 791 CA ASN A 59 8.775 0.683 -8.131 1.00 0.00 C ATOM 792 C ASN A 59 9.027 0.662 -6.623 1.00 0.00 C ATOM 793 O ASN A 59 8.219 0.179 -5.855 1.00 0.00 O ATOM 794 CB ASN A 59 8.341 -0.709 -8.595 1.00 0.00 C ATOM 795 CG ASN A 59 7.146 -1.178 -7.764 1.00 0.00 C ATOM 796 OD1 ASN A 59 6.969 -2.361 -7.547 1.00 0.00 O ATOM 797 ND2 ASN A 59 6.311 -0.296 -7.285 1.00 0.00 N ATOM 0 H ASN A 59 10.755 0.355 -8.854 1.00 0.00 H new ATOM 0 HA ASN A 59 7.990 1.405 -8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.075 -0.684 -9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.167 -1.412 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.511 -0.600 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.458 0.697 -7.466 1.00 0.00 H new ATOM 804 N TYR A 60 10.145 1.181 -6.189 1.00 0.00 N ATOM 805 CA TYR A 60 10.442 1.186 -4.730 1.00 0.00 C ATOM 806 C TYR A 60 10.957 2.567 -4.312 1.00 0.00 C ATOM 807 O TYR A 60 11.612 2.711 -3.300 1.00 0.00 O ATOM 808 CB TYR A 60 11.503 0.131 -4.414 1.00 0.00 C ATOM 809 CG TYR A 60 11.041 -1.245 -4.911 1.00 0.00 C ATOM 810 CD1 TYR A 60 10.807 -1.469 -6.253 1.00 0.00 C ATOM 811 CD2 TYR A 60 10.843 -2.280 -4.018 1.00 0.00 C ATOM 812 CE1 TYR A 60 10.378 -2.705 -6.693 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.415 -3.514 -4.459 1.00 0.00 C ATOM 814 CZ TYR A 60 10.180 -3.737 -5.800 1.00 0.00 C ATOM 815 OH TYR A 60 9.753 -4.973 -6.240 1.00 0.00 O ATOM 0 H TYR A 60 10.862 1.600 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 60 9.529 0.957 -4.180 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.447 0.400 -4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.684 0.096 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.961 -0.671 -6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.025 -2.121 -2.965 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.196 -2.865 -7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.262 -4.313 -3.749 1.00 0.00 H new ATOM 0 HH TYR A 60 9.668 -5.581 -5.476 1.00 0.00 H new ATOM 825 N VAL A 61 10.679 3.579 -5.089 1.00 0.00 N ATOM 826 CA VAL A 61 11.150 4.951 -4.737 1.00 0.00 C ATOM 827 C VAL A 61 10.152 5.970 -5.271 1.00 0.00 C ATOM 828 O VAL A 61 9.299 5.659 -6.078 1.00 0.00 O ATOM 829 CB VAL A 61 12.526 5.219 -5.353 1.00 0.00 C ATOM 830 CG1 VAL A 61 12.509 4.872 -6.843 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.890 6.696 -5.185 1.00 0.00 C ATOM 0 H VAL A 61 10.144 3.515 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 61 11.229 5.033 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 61 13.265 4.599 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.492 5.066 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.259 3.818 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.764 5.484 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.870 6.882 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.145 7.314 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.915 6.946 -4.124 1.00 0.00 H new ATOM 841 N ALA A 62 10.252 7.187 -4.828 1.00 0.00 N ATOM 842 CA ALA A 62 9.304 8.229 -5.313 1.00 0.00 C ATOM 843 C ALA A 62 9.930 9.618 -5.140 1.00 0.00 C ATOM 844 O ALA A 62 10.547 9.893 -4.129 1.00 0.00 O ATOM 845 CB ALA A 62 8.007 8.152 -4.506 1.00 0.00 C ATOM 0 H ALA A 62 10.946 7.508 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 62 9.089 8.058 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.313 8.914 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.559 7.166 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.224 8.321 -3.451 1.00 0.00 H new ATOM 851 N PRO A 63 9.753 10.455 -6.133 1.00 0.00 N ATOM 852 CA PRO A 63 10.295 11.826 -6.109 1.00 0.00 C ATOM 853 C PRO A 63 9.653 12.626 -4.972 1.00 0.00 C ATOM 854 O PRO A 63 8.668 13.312 -5.164 1.00 0.00 O ATOM 855 CB PRO A 63 9.914 12.424 -7.469 1.00 0.00 C ATOM 856 CG PRO A 63 9.080 11.364 -8.235 1.00 0.00 C ATOM 857 CD PRO A 63 9.009 10.104 -7.358 1.00 0.00 C ATOM 0 HA PRO A 63 11.372 11.844 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.338 13.340 -7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.808 12.688 -8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.079 11.742 -8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.541 11.136 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.977 9.838 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.456 9.246 -7.861 1.00 0.00 H new ATOM 865 N SER A 64 10.200 12.546 -3.791 1.00 0.00 N ATOM 866 CA SER A 64 9.617 13.303 -2.649 1.00 0.00 C ATOM 867 C SER A 64 8.211 12.776 -2.354 1.00 0.00 C ATOM 868 O SER A 64 7.601 12.233 -3.260 1.00 0.00 O ATOM 869 CB SER A 64 9.540 14.789 -3.012 1.00 0.00 C ATOM 870 OG SER A 64 8.331 15.339 -2.512 1.00 0.00 O ATOM 871 OXT SER A 64 7.768 12.925 -1.227 1.00 0.00 O ATOM 0 H SER A 64 11.025 11.989 -3.568 1.00 0.00 H new ATOM 0 HA SER A 64 10.245 13.175 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.394 15.321 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.587 14.912 -4.094 1.00 0.00 H new ATOM 0 HG SER A 64 8.284 16.290 -2.744 1.00 0.00 H new TER 877 SER A 64