USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -5.64! C(o=-5.6!,f=-7!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -2.86! C(o=-2.9!,f=-9.4!) USER MOD Single : A 17 SER OG : rot -59:sc= 0.402 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -48:sc= 0.0488 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 113:sc= 0.546! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 31:sc= 0.547 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.112 (180deg=-0.636) USER MOD Single : A 59 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.4) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.42) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0.208 K(o=0.21,f=-1.8!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.685 F(o=-1.6!,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.846 21.093 -19.417 1.00 1.00 N ATOM 2 CA MET A 1 26.939 19.874 -18.566 1.00 1.00 C ATOM 3 C MET A 1 25.814 18.913 -18.934 1.00 1.00 C ATOM 4 O MET A 1 24.744 18.932 -18.325 1.00 1.00 O ATOM 5 CB MET A 1 26.823 20.275 -17.093 1.00 1.00 C ATOM 6 CG MET A 1 27.224 19.092 -16.209 1.00 1.00 C ATOM 7 SD MET A 1 26.900 19.498 -14.476 1.00 1.00 S ATOM 8 CE MET A 1 28.497 20.272 -14.122 1.00 1.00 C ATOM 0 H1 MET A 1 27.613 21.750 -19.167 1.00 1.00 H new ATOM 0 H2 MET A 1 26.932 20.825 -20.418 1.00 1.00 H new ATOM 0 H3 MET A 1 25.928 21.557 -19.260 1.00 1.00 H new ATOM 0 HA MET A 1 27.898 19.382 -18.730 1.00 1.00 H new ATOM 0 HB2 MET A 1 27.465 21.131 -16.886 1.00 1.00 H new ATOM 0 HB3 MET A 1 25.801 20.581 -16.868 1.00 1.00 H new ATOM 0 HG2 MET A 1 26.663 18.203 -16.496 1.00 1.00 H new ATOM 0 HG3 MET A 1 28.280 18.861 -16.348 1.00 1.00 H new ATOM 0 HE1 MET A 1 28.518 20.605 -13.084 1.00 1.00 H new ATOM 0 HE2 MET A 1 29.296 19.550 -14.288 1.00 1.00 H new ATOM 0 HE3 MET A 1 28.640 21.129 -14.780 1.00 1.00 H new ATOM 20 N GLU A 2 26.063 18.072 -19.933 1.00 1.00 N ATOM 21 CA GLU A 2 25.062 17.107 -20.374 1.00 1.00 C ATOM 22 C GLU A 2 23.680 17.750 -20.415 1.00 1.00 C ATOM 23 O GLU A 2 22.908 17.646 -19.461 1.00 1.00 O ATOM 24 CB GLU A 2 25.042 15.907 -19.426 1.00 1.00 C ATOM 25 CG GLU A 2 26.461 15.354 -19.270 1.00 1.00 C ATOM 26 CD GLU A 2 26.407 13.920 -18.753 1.00 1.00 C ATOM 27 OE1 GLU A 2 25.515 13.623 -17.977 1.00 1.00 O ATOM 28 OE2 GLU A 2 27.261 13.140 -19.144 1.00 1.00 O ATOM 0 H GLU A 2 26.942 18.039 -20.449 1.00 1.00 H new ATOM 0 HA GLU A 2 25.323 16.772 -21.378 1.00 1.00 H new ATOM 0 HB2 GLU A 2 24.648 16.205 -18.454 1.00 1.00 H new ATOM 0 HB3 GLU A 2 24.380 15.134 -19.815 1.00 1.00 H new ATOM 0 HG2 GLU A 2 26.980 15.385 -20.228 1.00 1.00 H new ATOM 0 HG3 GLU A 2 27.029 15.977 -18.580 1.00 1.00 H new ATOM 35 N GLU A 3 23.373 18.412 -21.525 1.00 1.00 N ATOM 36 CA GLU A 3 22.080 19.067 -21.680 1.00 1.00 C ATOM 37 C GLU A 3 21.530 18.843 -23.086 1.00 1.00 C ATOM 38 O GLU A 3 21.821 19.608 -24.005 1.00 1.00 O ATOM 39 CB GLU A 3 22.220 20.568 -21.418 1.00 1.00 C ATOM 40 CG GLU A 3 20.900 21.269 -21.744 1.00 1.00 C ATOM 41 CD GLU A 3 20.860 22.641 -21.080 1.00 1.00 C ATOM 42 OE1 GLU A 3 21.921 23.158 -20.769 1.00 1.00 O ATOM 43 OE2 GLU A 3 19.769 23.155 -20.892 1.00 1.00 O ATOM 0 H GLU A 3 23.997 18.509 -22.326 1.00 1.00 H new ATOM 0 HA GLU A 3 21.387 18.635 -20.958 1.00 1.00 H new ATOM 0 HB2 GLU A 3 22.489 20.742 -20.376 1.00 1.00 H new ATOM 0 HB3 GLU A 3 23.023 20.981 -22.028 1.00 1.00 H new ATOM 0 HG2 GLU A 3 20.792 21.375 -22.823 1.00 1.00 H new ATOM 0 HG3 GLU A 3 20.062 20.664 -21.398 1.00 1.00 H new ATOM 50 N GLY A 4 20.735 17.790 -23.243 1.00 1.00 N ATOM 51 CA GLY A 4 20.150 17.476 -24.541 1.00 1.00 C ATOM 52 C GLY A 4 20.059 15.967 -24.746 1.00 1.00 C ATOM 53 O GLY A 4 19.156 15.476 -25.424 1.00 1.00 O ATOM 0 H GLY A 4 20.483 17.145 -22.495 1.00 1.00 H new ATOM 0 HA2 GLY A 4 19.156 17.917 -24.613 1.00 1.00 H new ATOM 0 HA3 GLY A 4 20.754 17.919 -25.333 1.00 1.00 H new ATOM 57 N GLY A 5 21.000 15.238 -24.157 1.00 1.00 N ATOM 58 CA GLY A 5 21.016 13.785 -24.282 1.00 1.00 C ATOM 59 C GLY A 5 22.435 13.273 -24.507 1.00 1.00 C ATOM 60 O GLY A 5 22.980 13.389 -25.605 1.00 1.00 O ATOM 0 H GLY A 5 21.756 15.625 -23.592 1.00 1.00 H new ATOM 0 HA2 GLY A 5 20.601 13.334 -23.381 1.00 1.00 H new ATOM 0 HA3 GLY A 5 20.379 13.481 -25.113 1.00 1.00 H new ATOM 64 N ASP A 6 23.028 12.708 -23.461 1.00 1.00 N ATOM 65 CA ASP A 6 24.385 12.183 -23.556 1.00 1.00 C ATOM 66 C ASP A 6 24.509 10.878 -22.777 1.00 1.00 C ATOM 67 O ASP A 6 24.029 10.768 -21.649 1.00 1.00 O ATOM 68 CB ASP A 6 25.381 13.205 -23.004 1.00 1.00 C ATOM 69 CG ASP A 6 26.804 12.670 -23.136 1.00 1.00 C ATOM 70 OD1 ASP A 6 27.337 12.726 -24.232 1.00 1.00 O ATOM 71 OD2 ASP A 6 27.338 12.212 -22.140 1.00 1.00 O ATOM 0 H ASP A 6 22.594 12.602 -22.544 1.00 1.00 H new ATOM 0 HA ASP A 6 24.607 11.990 -24.606 1.00 1.00 H new ATOM 0 HB2 ASP A 6 25.286 14.147 -23.545 1.00 1.00 H new ATOM 0 HB3 ASP A 6 25.158 13.414 -21.958 1.00 1.00 H new ATOM 76 N PHE A 7 25.159 9.890 -23.386 1.00 1.00 N ATOM 77 CA PHE A 7 25.340 8.596 -22.740 1.00 1.00 C ATOM 78 C PHE A 7 26.505 8.647 -21.757 1.00 1.00 C ATOM 79 O PHE A 7 27.050 9.716 -21.480 1.00 1.00 O ATOM 80 CB PHE A 7 25.606 7.519 -23.794 1.00 1.00 C ATOM 81 CG PHE A 7 24.449 7.466 -24.762 1.00 1.00 C ATOM 82 CD1 PHE A 7 23.229 6.906 -24.366 1.00 1.00 C ATOM 83 CD2 PHE A 7 24.596 7.979 -26.057 1.00 1.00 C ATOM 84 CE1 PHE A 7 22.156 6.857 -25.264 1.00 1.00 C ATOM 85 CE2 PHE A 7 23.524 7.930 -26.955 1.00 1.00 C ATOM 86 CZ PHE A 7 22.303 7.369 -26.559 1.00 1.00 C ATOM 0 H PHE A 7 25.566 9.960 -24.319 1.00 1.00 H new ATOM 0 HA PHE A 7 24.429 8.352 -22.194 1.00 1.00 H new ATOM 0 HB2 PHE A 7 26.531 7.738 -24.328 1.00 1.00 H new ATOM 0 HB3 PHE A 7 25.737 6.549 -23.314 1.00 1.00 H new ATOM 0 HD1 PHE A 7 23.115 6.511 -23.367 1.00 1.00 H new ATOM 0 HD2 PHE A 7 25.537 8.412 -26.362 1.00 1.00 H new ATOM 0 HE1 PHE A 7 21.215 6.424 -24.958 1.00 1.00 H new ATOM 0 HE2 PHE A 7 23.638 8.325 -27.954 1.00 1.00 H new ATOM 0 HZ PHE A 7 21.476 7.331 -27.252 1.00 1.00 H new ATOM 96 N ASP A 8 26.882 7.486 -21.232 1.00 1.00 N ATOM 97 CA ASP A 8 27.984 7.411 -20.279 1.00 1.00 C ATOM 98 C ASP A 8 28.855 6.192 -20.564 1.00 1.00 C ATOM 99 O ASP A 8 29.170 5.418 -19.661 1.00 1.00 O ATOM 100 CB ASP A 8 27.437 7.327 -18.853 1.00 1.00 C ATOM 101 CG ASP A 8 28.549 7.613 -17.850 1.00 1.00 C ATOM 102 OD1 ASP A 8 29.704 7.494 -18.226 1.00 1.00 O ATOM 103 OD2 ASP A 8 28.229 7.948 -16.722 1.00 1.00 O ATOM 0 H ASP A 8 26.445 6.590 -21.448 1.00 1.00 H new ATOM 0 HA ASP A 8 28.591 8.310 -20.382 1.00 1.00 H new ATOM 0 HB2 ASP A 8 26.626 8.043 -18.723 1.00 1.00 H new ATOM 0 HB3 ASP A 8 27.019 6.336 -18.673 1.00 1.00 H new ATOM 108 N ASN A 9 29.242 6.028 -21.825 1.00 1.00 N ATOM 109 CA ASN A 9 30.076 4.900 -22.218 1.00 1.00 C ATOM 110 C ASN A 9 29.579 3.619 -21.563 1.00 1.00 C ATOM 111 O ASN A 9 30.368 2.754 -21.182 1.00 1.00 O ATOM 112 CB ASN A 9 31.525 5.158 -21.814 1.00 1.00 C ATOM 113 CG ASN A 9 31.682 5.008 -20.304 1.00 1.00 C ATOM 114 OD1 ASN A 9 31.481 5.968 -19.560 1.00 1.00 O ATOM 115 ND2 ASN A 9 32.030 3.854 -19.804 1.00 1.00 N ATOM 0 H ASN A 9 28.993 6.658 -22.587 1.00 1.00 H new ATOM 0 HA ASN A 9 30.019 4.786 -23.301 1.00 1.00 H new ATOM 0 HB2 ASN A 9 32.184 4.458 -22.327 1.00 1.00 H new ATOM 0 HB3 ASN A 9 31.823 6.160 -22.121 1.00 1.00 H new ATOM 0 HD21 ASN A 9 32.136 3.746 -18.795 1.00 1.00 H new ATOM 0 HD22 ASN A 9 32.196 3.060 -20.422 1.00 1.00 H new ATOM 122 N TYR A 10 28.266 3.510 -21.437 1.00 1.00 N ATOM 123 CA TYR A 10 27.656 2.335 -20.827 1.00 1.00 C ATOM 124 C TYR A 10 28.428 1.919 -19.579 1.00 1.00 C ATOM 125 O TYR A 10 29.381 1.143 -19.655 1.00 1.00 O ATOM 126 CB TYR A 10 27.639 1.177 -21.827 1.00 1.00 C ATOM 127 CG TYR A 10 26.627 0.147 -21.388 1.00 1.00 C ATOM 128 CD1 TYR A 10 25.264 0.357 -21.625 1.00 1.00 C ATOM 129 CD2 TYR A 10 27.053 -1.021 -20.741 1.00 1.00 C ATOM 130 CE1 TYR A 10 24.326 -0.598 -21.217 1.00 1.00 C ATOM 131 CE2 TYR A 10 26.115 -1.976 -20.333 1.00 1.00 C ATOM 132 CZ TYR A 10 24.751 -1.765 -20.571 1.00 1.00 C ATOM 133 OH TYR A 10 23.826 -2.708 -20.168 1.00 1.00 O ATOM 0 H TYR A 10 27.601 4.219 -21.748 1.00 1.00 H new ATOM 0 HA TYR A 10 26.634 2.585 -20.543 1.00 1.00 H new ATOM 0 HB2 TYR A 10 27.390 1.546 -22.822 1.00 1.00 H new ATOM 0 HB3 TYR A 10 28.629 0.725 -21.893 1.00 1.00 H new ATOM 0 HD1 TYR A 10 24.936 1.257 -22.123 1.00 1.00 H new ATOM 0 HD2 TYR A 10 28.105 -1.184 -20.557 1.00 1.00 H new ATOM 0 HE1 TYR A 10 23.274 -0.435 -21.400 1.00 1.00 H new ATOM 0 HE2 TYR A 10 26.443 -2.876 -19.834 1.00 1.00 H new ATOM 0 HH TYR A 10 24.289 -3.457 -19.737 1.00 1.00 H new ATOM 143 N TYR A 11 28.010 2.441 -18.430 1.00 1.00 N ATOM 144 CA TYR A 11 28.668 2.119 -17.172 1.00 1.00 C ATOM 145 C TYR A 11 27.696 2.264 -16.005 1.00 1.00 C ATOM 146 O TYR A 11 26.737 3.032 -16.076 1.00 1.00 O ATOM 147 CB TYR A 11 29.867 3.045 -16.960 1.00 1.00 C ATOM 148 CG TYR A 11 29.627 3.911 -15.746 1.00 1.00 C ATOM 149 CD1 TYR A 11 28.696 4.955 -15.804 1.00 1.00 C ATOM 150 CD2 TYR A 11 30.338 3.670 -14.564 1.00 1.00 C ATOM 151 CE1 TYR A 11 28.475 5.758 -14.678 1.00 1.00 C ATOM 152 CE2 TYR A 11 30.117 4.473 -13.439 1.00 1.00 C ATOM 153 CZ TYR A 11 29.185 5.517 -13.496 1.00 1.00 C ATOM 154 OH TYR A 11 28.967 6.308 -12.387 1.00 1.00 O ATOM 0 H TYR A 11 27.223 3.085 -18.346 1.00 1.00 H new ATOM 0 HA TYR A 11 29.010 1.085 -17.216 1.00 1.00 H new ATOM 0 HB2 TYR A 11 30.775 2.457 -16.826 1.00 1.00 H new ATOM 0 HB3 TYR A 11 30.018 3.669 -17.841 1.00 1.00 H new ATOM 0 HD1 TYR A 11 28.149 5.141 -16.716 1.00 1.00 H new ATOM 0 HD2 TYR A 11 31.057 2.865 -14.520 1.00 1.00 H new ATOM 0 HE1 TYR A 11 27.757 6.563 -14.722 1.00 1.00 H new ATOM 0 HE2 TYR A 11 30.665 4.288 -12.527 1.00 1.00 H new ATOM 0 HH TYR A 11 29.540 6.005 -11.652 1.00 1.00 H new ATOM 164 N GLY A 12 27.950 1.520 -14.934 1.00 1.00 N ATOM 165 CA GLY A 12 27.090 1.573 -13.758 1.00 1.00 C ATOM 166 C GLY A 12 27.132 0.256 -12.991 1.00 1.00 C ATOM 167 O GLY A 12 26.125 -0.444 -12.885 1.00 1.00 O ATOM 0 H GLY A 12 28.738 0.878 -14.856 1.00 1.00 H new ATOM 0 HA2 GLY A 12 27.408 2.387 -13.107 1.00 1.00 H new ATOM 0 HA3 GLY A 12 26.066 1.789 -14.062 1.00 1.00 H new ATOM 171 N ALA A 13 28.303 -0.074 -12.457 1.00 1.00 N ATOM 172 CA ALA A 13 28.466 -1.311 -11.701 1.00 1.00 C ATOM 173 C ALA A 13 29.312 -1.069 -10.456 1.00 1.00 C ATOM 174 O ALA A 13 30.410 -1.610 -10.325 1.00 1.00 O ATOM 175 CB ALA A 13 29.132 -2.374 -12.575 1.00 1.00 C ATOM 0 H ALA A 13 29.148 0.493 -12.532 1.00 1.00 H new ATOM 0 HA ALA A 13 27.480 -1.660 -11.394 1.00 1.00 H new ATOM 0 HB1 ALA A 13 29.250 -3.294 -12.003 1.00 1.00 H new ATOM 0 HB2 ALA A 13 28.511 -2.568 -13.449 1.00 1.00 H new ATOM 0 HB3 ALA A 13 30.111 -2.019 -12.897 1.00 1.00 H new ATOM 181 N ASP A 14 28.794 -0.255 -9.542 1.00 1.00 N ATOM 182 CA ASP A 14 29.511 0.051 -8.310 1.00 1.00 C ATOM 183 C ASP A 14 28.966 -0.780 -7.152 1.00 1.00 C ATOM 184 O ASP A 14 28.764 -0.268 -6.051 1.00 1.00 O ATOM 185 CB ASP A 14 29.375 1.539 -7.982 1.00 1.00 C ATOM 186 CG ASP A 14 30.210 1.879 -6.751 1.00 1.00 C ATOM 187 OD1 ASP A 14 31.422 1.934 -6.879 1.00 1.00 O ATOM 188 OD2 ASP A 14 29.625 2.082 -5.701 1.00 1.00 O ATOM 0 H ASP A 14 27.886 0.202 -9.630 1.00 1.00 H new ATOM 0 HA ASP A 14 30.563 -0.194 -8.454 1.00 1.00 H new ATOM 0 HB2 ASP A 14 29.703 2.139 -8.831 1.00 1.00 H new ATOM 0 HB3 ASP A 14 28.329 1.786 -7.802 1.00 1.00 H new ATOM 193 N ASN A 15 28.731 -2.062 -7.410 1.00 1.00 N ATOM 194 CA ASN A 15 28.210 -2.954 -6.381 1.00 1.00 C ATOM 195 C ASN A 15 29.333 -3.791 -5.777 1.00 1.00 C ATOM 196 O ASN A 15 29.317 -4.102 -4.587 1.00 1.00 O ATOM 197 CB ASN A 15 27.148 -3.878 -6.981 1.00 1.00 C ATOM 198 CG ASN A 15 25.842 -3.115 -7.176 1.00 1.00 C ATOM 199 OD1 ASN A 15 25.130 -2.844 -6.210 1.00 1.00 O ATOM 200 ND2 ASN A 15 25.484 -2.751 -8.377 1.00 1.00 N ATOM 0 H ASN A 15 28.891 -2.504 -8.315 1.00 1.00 H new ATOM 0 HA ASN A 15 27.762 -2.348 -5.594 1.00 1.00 H new ATOM 0 HB2 ASN A 15 27.495 -4.272 -7.936 1.00 1.00 H new ATOM 0 HB3 ASN A 15 26.985 -4.733 -6.324 1.00 1.00 H new ATOM 0 HD21 ASN A 15 24.612 -2.241 -8.517 1.00 1.00 H new ATOM 0 HD22 ASN A 15 26.076 -2.977 -9.176 1.00 1.00 H new ATOM 207 N GLN A 16 30.306 -4.151 -6.607 1.00 1.00 N ATOM 208 CA GLN A 16 31.434 -4.953 -6.143 1.00 1.00 C ATOM 209 C GLN A 16 32.048 -4.339 -4.890 1.00 1.00 C ATOM 210 O GLN A 16 32.477 -5.053 -3.983 1.00 1.00 O ATOM 211 CB GLN A 16 32.495 -5.044 -7.242 1.00 1.00 C ATOM 212 CG GLN A 16 32.628 -3.689 -7.939 1.00 1.00 C ATOM 213 CD GLN A 16 31.785 -3.672 -9.210 1.00 1.00 C ATOM 214 OE1 GLN A 16 30.635 -4.111 -9.199 1.00 1.00 O ATOM 215 NE2 GLN A 16 32.292 -3.189 -10.311 1.00 1.00 N ATOM 0 H GLN A 16 30.338 -3.903 -7.596 1.00 1.00 H new ATOM 0 HA GLN A 16 31.072 -5.953 -5.903 1.00 1.00 H new ATOM 0 HB2 GLN A 16 33.453 -5.340 -6.814 1.00 1.00 H new ATOM 0 HB3 GLN A 16 32.219 -5.811 -7.966 1.00 1.00 H new ATOM 0 HG2 GLN A 16 32.306 -2.892 -7.268 1.00 1.00 H new ATOM 0 HG3 GLN A 16 33.673 -3.497 -8.183 1.00 1.00 H new ATOM 0 HE21 GLN A 16 33.245 -2.826 -10.317 1.00 1.00 H new ATOM 0 HE22 GLN A 16 31.735 -3.175 -11.165 1.00 1.00 H new ATOM 224 N SER A 17 32.088 -3.011 -4.845 1.00 1.00 N ATOM 225 CA SER A 17 32.652 -2.311 -3.698 1.00 1.00 C ATOM 226 C SER A 17 33.929 -2.999 -3.225 1.00 1.00 C ATOM 227 O SER A 17 34.067 -3.333 -2.048 1.00 1.00 O ATOM 228 CB SER A 17 31.636 -2.277 -2.555 1.00 1.00 C ATOM 229 OG SER A 17 32.143 -1.472 -1.500 1.00 1.00 O ATOM 0 H SER A 17 31.739 -2.402 -5.585 1.00 1.00 H new ATOM 0 HA SER A 17 32.892 -1.292 -4.001 1.00 1.00 H new ATOM 0 HB2 SER A 17 30.686 -1.876 -2.909 1.00 1.00 H new ATOM 0 HB3 SER A 17 31.442 -3.288 -2.196 1.00 1.00 H new ATOM 0 HG SER A 17 32.991 -1.846 -1.182 1.00 1.00 H new ATOM 235 N GLU A 18 34.859 -3.208 -4.151 1.00 1.00 N ATOM 236 CA GLU A 18 36.121 -3.858 -3.818 1.00 1.00 C ATOM 237 C GLU A 18 37.216 -2.820 -3.592 1.00 1.00 C ATOM 238 O GLU A 18 36.955 -1.617 -3.598 1.00 1.00 O ATOM 239 CB GLU A 18 36.537 -4.802 -4.949 1.00 1.00 C ATOM 240 CG GLU A 18 36.397 -6.252 -4.480 1.00 1.00 C ATOM 241 CD GLU A 18 34.952 -6.535 -4.082 1.00 1.00 C ATOM 242 OE1 GLU A 18 34.152 -6.778 -4.969 1.00 1.00 O ATOM 243 OE2 GLU A 18 34.669 -6.503 -2.896 1.00 1.00 O ATOM 0 H GLU A 18 34.764 -2.939 -5.130 1.00 1.00 H new ATOM 0 HA GLU A 18 35.982 -4.429 -2.900 1.00 1.00 H new ATOM 0 HB2 GLU A 18 35.915 -4.631 -5.827 1.00 1.00 H new ATOM 0 HB3 GLU A 18 37.567 -4.602 -5.244 1.00 1.00 H new ATOM 0 HG2 GLU A 18 36.703 -6.931 -5.276 1.00 1.00 H new ATOM 0 HG3 GLU A 18 37.058 -6.434 -3.633 1.00 1.00 H new ATOM 250 N CYS A 19 38.441 -3.294 -3.392 1.00 1.00 N ATOM 251 CA CYS A 19 39.569 -2.396 -3.164 1.00 1.00 C ATOM 252 C CYS A 19 39.361 -1.588 -1.887 1.00 1.00 C ATOM 253 O CYS A 19 38.389 -0.844 -1.762 1.00 1.00 O ATOM 254 CB CYS A 19 39.726 -1.444 -4.351 1.00 1.00 C ATOM 255 SG CYS A 19 41.425 -1.528 -4.970 1.00 1.00 S ATOM 0 H CYS A 19 38.678 -4.286 -3.383 1.00 1.00 H new ATOM 0 HA CYS A 19 40.472 -2.997 -3.058 1.00 1.00 H new ATOM 0 HB2 CYS A 19 39.026 -1.713 -5.142 1.00 1.00 H new ATOM 0 HB3 CYS A 19 39.488 -0.425 -4.047 1.00 1.00 H new ATOM 0 HG CYS A 19 41.559 -0.721 -5.980 1.00 1.00 H new ATOM 261 N GLU A 20 40.282 -1.742 -0.940 1.00 1.00 N ATOM 262 CA GLU A 20 40.190 -1.022 0.324 1.00 1.00 C ATOM 263 C GLU A 20 38.964 -1.474 1.110 1.00 1.00 C ATOM 264 O GLU A 20 38.715 -1.001 2.219 1.00 1.00 O ATOM 265 CB GLU A 20 40.105 0.483 0.064 1.00 1.00 C ATOM 266 CG GLU A 20 40.950 1.229 1.099 1.00 1.00 C ATOM 267 CD GLU A 20 40.573 2.707 1.112 1.00 1.00 C ATOM 268 OE1 GLU A 20 41.012 3.418 0.224 1.00 1.00 O ATOM 269 OE2 GLU A 20 39.850 3.105 2.010 1.00 1.00 O ATOM 0 H GLU A 20 41.094 -2.354 -1.023 1.00 1.00 H new ATOM 0 HA GLU A 20 41.084 -1.239 0.909 1.00 1.00 H new ATOM 0 HB2 GLU A 20 40.459 0.710 -0.942 1.00 1.00 H new ATOM 0 HB3 GLU A 20 39.068 0.814 0.119 1.00 1.00 H new ATOM 0 HG2 GLU A 20 40.794 0.797 2.087 1.00 1.00 H new ATOM 0 HG3 GLU A 20 42.009 1.117 0.865 1.00 1.00 H new ATOM 276 N TYR A 21 38.200 -2.392 0.528 1.00 1.00 N ATOM 277 CA TYR A 21 37.000 -2.902 1.182 1.00 1.00 C ATOM 278 C TYR A 21 37.274 -4.260 1.821 1.00 1.00 C ATOM 279 O TYR A 21 36.588 -4.665 2.760 1.00 1.00 O ATOM 280 CB TYR A 21 35.866 -3.034 0.164 1.00 1.00 C ATOM 281 CG TYR A 21 34.764 -3.886 0.746 1.00 1.00 C ATOM 282 CD1 TYR A 21 34.829 -5.281 0.643 1.00 1.00 C ATOM 283 CD2 TYR A 21 33.676 -3.282 1.387 1.00 1.00 C ATOM 284 CE1 TYR A 21 33.806 -6.071 1.181 1.00 1.00 C ATOM 285 CE2 TYR A 21 32.653 -4.072 1.926 1.00 1.00 C ATOM 286 CZ TYR A 21 32.718 -5.466 1.823 1.00 1.00 C ATOM 287 OH TYR A 21 31.710 -6.245 2.354 1.00 1.00 O ATOM 0 H TYR A 21 38.388 -2.796 -0.389 1.00 1.00 H new ATOM 0 HA TYR A 21 36.707 -2.199 1.962 1.00 1.00 H new ATOM 0 HB2 TYR A 21 35.480 -2.048 -0.096 1.00 1.00 H new ATOM 0 HB3 TYR A 21 36.240 -3.483 -0.756 1.00 1.00 H new ATOM 0 HD1 TYR A 21 35.668 -5.747 0.149 1.00 1.00 H new ATOM 0 HD2 TYR A 21 33.625 -2.206 1.466 1.00 1.00 H new ATOM 0 HE1 TYR A 21 33.856 -7.147 1.101 1.00 1.00 H new ATOM 0 HE2 TYR A 21 31.814 -3.605 2.421 1.00 1.00 H new ATOM 0 HH TYR A 21 31.033 -5.668 2.765 1.00 1.00 H new ATOM 297 N THR A 22 38.280 -4.959 1.306 1.00 1.00 N ATOM 298 CA THR A 22 38.635 -6.271 1.835 1.00 1.00 C ATOM 299 C THR A 22 39.828 -6.163 2.780 1.00 1.00 C ATOM 300 O THR A 22 40.287 -7.162 3.331 1.00 1.00 O ATOM 301 CB THR A 22 38.976 -7.223 0.686 1.00 1.00 C ATOM 302 OG1 THR A 22 37.841 -7.370 -0.157 1.00 1.00 O ATOM 303 CG2 THR A 22 39.376 -8.586 1.252 1.00 1.00 C ATOM 0 H THR A 22 38.860 -4.642 0.529 1.00 1.00 H new ATOM 0 HA THR A 22 37.781 -6.662 2.389 1.00 1.00 H new ATOM 0 HB THR A 22 39.806 -6.816 0.109 1.00 1.00 H new ATOM 0 HG1 THR A 22 38.058 -7.978 -0.894 1.00 1.00 H new ATOM 0 HG21 THR A 22 39.619 -9.263 0.433 1.00 1.00 H new ATOM 0 HG22 THR A 22 40.247 -8.471 1.897 1.00 1.00 H new ATOM 0 HG23 THR A 22 38.548 -8.997 1.830 1.00 1.00 H new ATOM 311 N ASP A 23 40.325 -4.944 2.960 1.00 1.00 N ATOM 312 CA ASP A 23 41.464 -4.715 3.842 1.00 1.00 C ATOM 313 C ASP A 23 41.244 -3.468 4.690 1.00 1.00 C ATOM 314 O ASP A 23 42.199 -2.836 5.142 1.00 1.00 O ATOM 315 CB ASP A 23 42.740 -4.554 3.013 1.00 1.00 C ATOM 316 CG ASP A 23 43.914 -5.212 3.730 1.00 1.00 C ATOM 317 OD1 ASP A 23 43.857 -6.412 3.941 1.00 1.00 O ATOM 318 OD2 ASP A 23 44.853 -4.505 4.060 1.00 1.00 O ATOM 0 H ASP A 23 39.960 -4.104 2.510 1.00 1.00 H new ATOM 0 HA ASP A 23 41.566 -5.575 4.504 1.00 1.00 H new ATOM 0 HB2 ASP A 23 42.604 -5.005 2.030 1.00 1.00 H new ATOM 0 HB3 ASP A 23 42.948 -3.496 2.852 1.00 1.00 H new ATOM 323 N TRP A 24 39.980 -3.119 4.903 1.00 1.00 N ATOM 324 CA TRP A 24 39.646 -1.943 5.700 1.00 1.00 C ATOM 325 C TRP A 24 40.357 -1.989 7.052 1.00 1.00 C ATOM 326 O TRP A 24 41.547 -1.690 7.145 1.00 1.00 O ATOM 327 CB TRP A 24 38.128 -1.862 5.905 1.00 1.00 C ATOM 328 CG TRP A 24 37.549 -3.239 6.000 1.00 1.00 C ATOM 329 CD1 TRP A 24 38.197 -4.332 6.466 1.00 1.00 C ATOM 330 CD2 TRP A 24 36.212 -3.686 5.625 1.00 1.00 C ATOM 331 NE1 TRP A 24 37.345 -5.419 6.401 1.00 1.00 N ATOM 332 CE2 TRP A 24 36.110 -5.072 5.891 1.00 1.00 C ATOM 333 CE3 TRP A 24 35.091 -3.029 5.088 1.00 1.00 C ATOM 334 CZ2 TRP A 24 34.937 -5.781 5.632 1.00 1.00 C ATOM 335 CZ3 TRP A 24 33.908 -3.740 4.825 1.00 1.00 C ATOM 336 CH2 TRP A 24 33.831 -5.113 5.097 1.00 1.00 C ATOM 0 H TRP A 24 39.175 -3.629 4.538 1.00 1.00 H new ATOM 0 HA TRP A 24 39.981 -1.055 5.164 1.00 1.00 H new ATOM 0 HB2 TRP A 24 37.905 -1.302 6.813 1.00 1.00 H new ATOM 0 HB3 TRP A 24 37.669 -1.322 5.076 1.00 1.00 H new ATOM 0 HD1 TRP A 24 39.214 -4.352 6.829 1.00 1.00 H new ATOM 0 HE1 TRP A 24 37.598 -6.363 6.694 1.00 1.00 H new ATOM 0 HE3 TRP A 24 35.140 -1.971 4.876 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 34.883 -6.839 5.843 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 33.053 -3.226 4.411 1.00 1.00 H new ATOM 0 HH2 TRP A 24 32.919 -5.654 4.894 1.00 1.00 H new ATOM 347 N LYS A 25 39.624 -2.364 8.097 1.00 1.00 N ATOM 348 CA LYS A 25 40.203 -2.442 9.434 1.00 1.00 C ATOM 349 C LYS A 25 41.500 -3.244 9.410 1.00 1.00 C ATOM 350 O LYS A 25 42.591 -2.675 9.350 1.00 1.00 O ATOM 351 CB LYS A 25 39.211 -3.101 10.394 1.00 1.00 C ATOM 352 CG LYS A 25 37.952 -2.238 10.501 1.00 1.00 C ATOM 353 CD LYS A 25 36.744 -3.033 10.003 1.00 1.00 C ATOM 354 CE LYS A 25 36.494 -4.220 10.935 1.00 1.00 C ATOM 355 NZ LYS A 25 35.144 -4.090 11.554 1.00 1.00 N ATOM 0 H LYS A 25 38.637 -2.616 8.045 1.00 1.00 H new ATOM 0 HA LYS A 25 40.421 -1.430 9.775 1.00 1.00 H new ATOM 0 HB2 LYS A 25 38.952 -4.098 10.038 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.666 -3.222 11.377 1.00 1.00 H new ATOM 0 HG2 LYS A 25 37.797 -1.930 11.535 1.00 1.00 H new ATOM 0 HG3 LYS A 25 38.070 -1.329 9.912 1.00 1.00 H new ATOM 0 HD2 LYS A 25 35.863 -2.392 9.969 1.00 1.00 H new ATOM 0 HD3 LYS A 25 36.921 -3.386 8.987 1.00 1.00 H new ATOM 0 HE2 LYS A 25 36.562 -5.154 10.378 1.00 1.00 H new ATOM 0 HE3 LYS A 25 37.259 -4.255 11.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 34.974 -4.897 12.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 35.096 -3.205 12.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 34.420 -4.077 10.808 1.00 1.00 H new ATOM 369 N SER A 26 41.374 -4.566 9.457 1.00 1.00 N ATOM 370 CA SER A 26 42.544 -5.436 9.441 1.00 1.00 C ATOM 371 C SER A 26 43.508 -5.060 10.561 1.00 1.00 C ATOM 372 O SER A 26 44.630 -5.565 10.625 1.00 1.00 O ATOM 373 CB SER A 26 43.258 -5.325 8.093 1.00 1.00 C ATOM 374 OG SER A 26 44.013 -6.508 7.863 1.00 1.00 O ATOM 0 H SER A 26 40.480 -5.056 9.506 1.00 1.00 H new ATOM 0 HA SER A 26 42.211 -6.463 9.593 1.00 1.00 H new ATOM 0 HB2 SER A 26 42.531 -5.183 7.294 1.00 1.00 H new ATOM 0 HB3 SER A 26 43.914 -4.454 8.086 1.00 1.00 H new ATOM 0 HG SER A 26 44.544 -6.717 8.660 1.00 1.00 H new ATOM 380 N SER A 27 43.065 -4.170 11.443 1.00 1.00 N ATOM 381 CA SER A 27 43.897 -3.733 12.558 1.00 1.00 C ATOM 382 C SER A 27 43.337 -2.458 13.178 1.00 1.00 C ATOM 383 O SER A 27 43.562 -2.177 14.355 1.00 1.00 O ATOM 384 CB SER A 27 45.327 -3.482 12.076 1.00 1.00 C ATOM 385 OG SER A 27 45.898 -2.424 12.833 1.00 1.00 O ATOM 0 H SER A 27 42.141 -3.740 11.408 1.00 1.00 H new ATOM 0 HA SER A 27 43.901 -4.519 13.313 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.924 -4.387 12.186 1.00 1.00 H new ATOM 0 HB3 SER A 27 45.327 -3.227 11.016 1.00 1.00 H new ATOM 0 HG SER A 27 46.815 -2.261 12.528 1.00 1.00 H new ATOM 391 N GLY A 28 42.604 -1.689 12.378 1.00 1.00 N ATOM 392 CA GLY A 28 42.016 -0.445 12.860 1.00 1.00 C ATOM 393 C GLY A 28 41.083 -0.704 14.037 1.00 1.00 C ATOM 394 O GLY A 28 40.723 0.217 14.772 1.00 1.00 O ATOM 0 H GLY A 28 42.405 -1.904 11.401 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.806 0.242 13.162 1.00 1.00 H new ATOM 0 HA3 GLY A 28 41.465 0.038 12.053 1.00 1.00 H new ATOM 398 N ALA A 29 40.693 -1.963 14.212 1.00 1.00 N ATOM 399 CA ALA A 29 39.801 -2.332 15.306 1.00 1.00 C ATOM 400 C ALA A 29 40.580 -2.467 16.610 1.00 1.00 C ATOM 401 O ALA A 29 40.001 -2.721 17.666 1.00 1.00 O ATOM 402 CB ALA A 29 39.103 -3.654 14.986 1.00 1.00 C ATOM 0 H ALA A 29 40.978 -2.740 13.615 1.00 1.00 H new ATOM 0 HA ALA A 29 39.054 -1.546 15.423 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.439 -3.923 15.807 1.00 1.00 H new ATOM 0 HB2 ALA A 29 38.522 -3.546 14.070 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.850 -4.437 14.852 1.00 1.00 H new ATOM 408 N LEU A 30 41.896 -2.296 16.528 1.00 1.00 N ATOM 409 CA LEU A 30 42.746 -2.401 17.709 1.00 1.00 C ATOM 410 C LEU A 30 43.170 -1.018 18.191 1.00 1.00 C ATOM 411 O LEU A 30 44.327 -0.634 18.048 1.00 1.00 O ATOM 412 CB LEU A 30 43.989 -3.232 17.383 1.00 1.00 C ATOM 413 CG LEU A 30 43.580 -4.477 16.596 1.00 1.00 C ATOM 414 CD1 LEU A 30 44.806 -5.360 16.361 1.00 1.00 C ATOM 415 CD2 LEU A 30 42.533 -5.261 17.391 1.00 1.00 C ATOM 0 H LEU A 30 42.394 -2.086 15.663 1.00 1.00 H new ATOM 0 HA LEU A 30 42.177 -2.889 18.500 1.00 1.00 H new ATOM 0 HB2 LEU A 30 44.694 -2.638 16.802 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.497 -3.521 18.303 1.00 1.00 H new ATOM 0 HG LEU A 30 43.160 -4.177 15.636 1.00 1.00 H new ATOM 0 HD11 LEU A 30 44.513 -6.247 15.800 1.00 1.00 H new ATOM 0 HD12 LEU A 30 45.553 -4.803 15.795 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.227 -5.660 17.320 1.00 1.00 H new ATOM 0 HD21 LEU A 30 42.241 -6.149 16.831 1.00 1.00 H new ATOM 0 HD22 LEU A 30 42.954 -5.560 18.351 1.00 1.00 H new ATOM 0 HD23 LEU A 30 41.658 -4.633 17.558 1.00 1.00 H new ATOM 427 N ILE A 31 42.217 -0.281 18.762 1.00 1.00 N ATOM 428 CA ILE A 31 42.472 1.069 19.280 1.00 1.00 C ATOM 429 C ILE A 31 41.150 1.754 19.634 1.00 1.00 C ATOM 430 O ILE A 31 41.055 2.429 20.660 1.00 1.00 O ATOM 431 CB ILE A 31 43.271 1.923 18.262 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.690 2.176 18.810 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.587 3.281 17.994 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.644 3.119 20.019 1.00 1.00 C ATOM 0 H ILE A 31 41.254 -0.597 18.879 1.00 1.00 H new ATOM 0 HA ILE A 31 43.077 0.978 20.182 1.00 1.00 H new ATOM 0 HB ILE A 31 43.314 1.371 17.323 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.148 1.230 19.098 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.315 2.608 18.029 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.177 3.850 17.276 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.589 3.112 17.591 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.512 3.841 18.926 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.655 3.284 20.390 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.207 4.072 19.721 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.037 2.672 20.806 1.00 1.00 H new ATOM 446 N PRO A 32 40.136 1.603 18.815 1.00 1.00 N ATOM 447 CA PRO A 32 38.805 2.234 19.065 1.00 1.00 C ATOM 448 C PRO A 32 38.116 1.645 20.293 1.00 1.00 C ATOM 449 O PRO A 32 37.252 2.281 20.896 1.00 1.00 O ATOM 450 CB PRO A 32 37.997 1.942 17.791 1.00 1.00 C ATOM 451 CG PRO A 32 38.983 1.447 16.781 1.00 1.00 C ATOM 452 CD PRO A 32 40.129 0.824 17.569 1.00 1.00 C ATOM 0 HA PRO A 32 38.897 3.301 19.270 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.225 1.196 17.981 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.492 2.840 17.435 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.524 0.714 16.117 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.341 2.264 16.155 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.960 -0.236 17.757 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.076 0.906 17.036 1.00 1.00 H new ATOM 460 N ALA A 33 38.504 0.427 20.655 1.00 1.00 N ATOM 461 CA ALA A 33 37.919 -0.237 21.813 1.00 1.00 C ATOM 462 C ALA A 33 38.367 0.442 23.102 1.00 1.00 C ATOM 463 O ALA A 33 37.686 0.368 24.124 1.00 1.00 O ATOM 464 CB ALA A 33 38.335 -1.709 21.837 1.00 1.00 C ATOM 0 H ALA A 33 39.216 -0.117 20.167 1.00 1.00 H new ATOM 0 HA ALA A 33 36.834 -0.168 21.738 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.894 -2.198 22.706 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.987 -2.200 20.928 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.421 -1.779 21.894 1.00 1.00 H new ATOM 470 N ILE A 34 39.519 1.103 23.045 1.00 1.00 N ATOM 471 CA ILE A 34 40.051 1.793 24.215 1.00 1.00 C ATOM 472 C ILE A 34 39.500 3.213 24.293 1.00 1.00 C ATOM 473 O ILE A 34 39.397 3.791 25.375 1.00 1.00 O ATOM 474 CB ILE A 34 41.578 1.841 24.143 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.131 0.414 24.086 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.125 2.548 25.385 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.569 0.445 23.567 1.00 1.00 C ATOM 0 H ILE A 34 40.098 1.175 22.208 1.00 1.00 H new ATOM 0 HA ILE A 34 39.746 1.246 25.107 1.00 1.00 H new ATOM 0 HB ILE A 34 41.882 2.386 23.249 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.100 -0.039 25.077 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.511 -0.202 23.435 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.213 2.583 25.334 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.731 3.564 25.429 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.821 2.002 26.278 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.963 -0.570 23.526 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.586 0.881 22.568 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.184 1.046 24.236 1.00 1.00 H new ATOM 489 N TYR A 35 39.146 3.770 23.138 1.00 1.00 N ATOM 490 CA TYR A 35 38.606 5.123 23.088 1.00 1.00 C ATOM 491 C TYR A 35 37.234 5.178 23.753 1.00 1.00 C ATOM 492 O TYR A 35 36.900 6.152 24.426 1.00 1.00 O ATOM 493 CB TYR A 35 38.489 5.584 21.634 1.00 1.00 C ATOM 494 CG TYR A 35 39.237 6.884 21.456 1.00 1.00 C ATOM 495 CD1 TYR A 35 38.703 8.074 21.967 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.464 6.900 20.782 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.396 9.280 21.802 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.156 8.105 20.618 1.00 1.00 C ATOM 499 CZ TYR A 35 40.623 9.295 21.128 1.00 1.00 C ATOM 500 OH TYR A 35 41.306 10.483 20.966 1.00 1.00 O ATOM 0 H TYR A 35 39.223 3.309 22.231 1.00 1.00 H new ATOM 0 HA TYR A 35 39.284 5.785 23.626 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.895 4.824 20.967 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.441 5.716 21.366 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.757 8.062 22.488 1.00 1.00 H new ATOM 0 HD2 TYR A 35 40.876 5.983 20.389 1.00 1.00 H new ATOM 0 HE1 TYR A 35 38.984 10.198 22.195 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.102 8.117 20.097 1.00 1.00 H new ATOM 0 HH TYR A 35 42.139 10.317 20.478 1.00 1.00 H new ATOM 510 N MET A 36 36.446 4.126 23.559 1.00 1.00 N ATOM 511 CA MET A 36 35.113 4.066 24.146 1.00 1.00 C ATOM 512 C MET A 36 35.198 3.754 25.637 1.00 1.00 C ATOM 513 O MET A 36 34.374 4.220 26.425 1.00 1.00 O ATOM 514 CB MET A 36 34.282 2.990 23.444 1.00 1.00 C ATOM 515 CG MET A 36 34.028 3.407 21.995 1.00 1.00 C ATOM 516 SD MET A 36 34.053 1.943 20.931 1.00 1.00 S ATOM 517 CE MET A 36 34.141 2.815 19.348 1.00 1.00 C ATOM 0 H MET A 36 36.704 3.310 23.005 1.00 1.00 H new ATOM 0 HA MET A 36 34.635 5.037 24.016 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.806 2.035 23.472 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.335 2.850 23.965 1.00 1.00 H new ATOM 0 HG2 MET A 36 33.065 3.912 21.914 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.789 4.118 21.671 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.167 2.090 18.534 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.266 3.455 19.236 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.043 3.426 19.319 1.00 1.00 H new ATOM 527 N LEU A 37 36.198 2.967 26.016 1.00 1.00 N ATOM 528 CA LEU A 37 36.381 2.601 27.416 1.00 1.00 C ATOM 529 C LEU A 37 36.861 3.804 28.222 1.00 1.00 C ATOM 530 O LEU A 37 37.280 3.667 29.371 1.00 1.00 O ATOM 531 CB LEU A 37 37.403 1.466 27.531 1.00 1.00 C ATOM 532 CG LEU A 37 36.684 0.128 27.748 1.00 1.00 C ATOM 533 CD1 LEU A 37 36.021 0.105 29.129 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.615 -0.059 26.667 1.00 1.00 C ATOM 0 H LEU A 37 36.890 2.572 25.379 1.00 1.00 H new ATOM 0 HA LEU A 37 35.423 2.267 27.815 1.00 1.00 H new ATOM 0 HB2 LEU A 37 38.009 1.419 26.626 1.00 1.00 H new ATOM 0 HB3 LEU A 37 38.083 1.661 28.360 1.00 1.00 H new ATOM 0 HG LEU A 37 37.412 -0.681 27.688 1.00 1.00 H new ATOM 0 HD11 LEU A 37 35.513 -0.849 29.273 1.00 1.00 H new ATOM 0 HD12 LEU A 37 36.781 0.232 29.900 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.296 0.916 29.198 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.104 -1.009 26.821 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.892 0.755 26.725 1.00 1.00 H new ATOM 0 HD23 LEU A 37 36.087 -0.056 25.684 1.00 1.00 H new ATOM 546 N VAL A 38 36.797 4.982 27.611 1.00 1.00 N ATOM 547 CA VAL A 38 37.228 6.204 28.279 1.00 1.00 C ATOM 548 C VAL A 38 36.249 7.339 27.998 1.00 1.00 C ATOM 549 O VAL A 38 36.372 8.432 28.551 1.00 1.00 O ATOM 550 CB VAL A 38 38.624 6.600 27.797 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.027 7.931 28.435 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.627 5.518 28.201 1.00 1.00 C ATOM 0 H VAL A 38 36.453 5.116 26.660 1.00 1.00 H new ATOM 0 HA VAL A 38 37.256 6.019 29.353 1.00 1.00 H new ATOM 0 HB VAL A 38 38.617 6.705 26.712 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.022 8.213 28.091 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.312 8.703 28.149 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.034 7.827 29.520 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.623 5.799 27.858 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.633 5.414 29.286 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.341 4.569 27.747 1.00 1.00 H new ATOM 562 N PHE A 39 35.275 7.071 27.134 1.00 1.00 N ATOM 563 CA PHE A 39 34.277 8.076 26.785 1.00 1.00 C ATOM 564 C PHE A 39 32.993 7.853 27.577 1.00 1.00 C ATOM 565 O PHE A 39 32.600 8.690 28.390 1.00 1.00 O ATOM 566 CB PHE A 39 33.973 8.009 25.286 1.00 1.00 C ATOM 567 CG PHE A 39 32.784 8.886 24.973 1.00 1.00 C ATOM 568 CD1 PHE A 39 32.923 10.280 24.975 1.00 1.00 C ATOM 569 CD2 PHE A 39 31.545 8.306 24.679 1.00 1.00 C ATOM 570 CE1 PHE A 39 31.821 11.092 24.684 1.00 1.00 C ATOM 571 CE2 PHE A 39 30.443 9.119 24.386 1.00 1.00 C ATOM 572 CZ PHE A 39 30.582 10.512 24.389 1.00 1.00 C ATOM 0 H PHE A 39 35.156 6.173 26.665 1.00 1.00 H new ATOM 0 HA PHE A 39 34.676 9.060 27.032 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.841 8.337 24.713 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.767 6.980 24.992 1.00 1.00 H new ATOM 0 HD1 PHE A 39 33.880 10.728 25.201 1.00 1.00 H new ATOM 0 HD2 PHE A 39 31.439 7.231 24.678 1.00 1.00 H new ATOM 0 HE1 PHE A 39 31.927 12.167 24.687 1.00 1.00 H new ATOM 0 HE2 PHE A 39 29.487 8.672 24.158 1.00 1.00 H new ATOM 0 HZ PHE A 39 29.732 11.140 24.163 1.00 1.00 H new ATOM 582 N LEU A 40 32.344 6.718 27.335 1.00 1.00 N ATOM 583 CA LEU A 40 31.105 6.394 28.033 1.00 1.00 C ATOM 584 C LEU A 40 31.314 6.436 29.543 1.00 1.00 C ATOM 585 O LEU A 40 30.354 6.494 30.312 1.00 1.00 O ATOM 586 CB LEU A 40 30.621 5.003 27.621 1.00 1.00 C ATOM 587 CG LEU A 40 31.692 3.967 27.967 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.266 3.190 29.215 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.858 2.995 26.797 1.00 1.00 C ATOM 0 H LEU A 40 32.653 6.012 26.666 1.00 1.00 H new ATOM 0 HA LEU A 40 30.353 7.135 27.761 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.689 4.764 28.134 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.411 4.981 26.552 1.00 1.00 H new ATOM 0 HG LEU A 40 32.638 4.473 28.158 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.029 2.452 29.462 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.145 3.880 30.050 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.320 2.684 29.023 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.621 2.257 27.043 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.911 2.489 26.607 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.160 3.546 25.906 1.00 1.00 H new ATOM 601 N LEU A 41 32.575 6.404 29.962 1.00 1.00 N ATOM 602 CA LEU A 41 32.899 6.438 31.383 1.00 1.00 C ATOM 603 C LEU A 41 32.226 7.630 32.056 1.00 1.00 C ATOM 604 O LEU A 41 31.451 7.465 32.999 1.00 1.00 O ATOM 605 CB LEU A 41 34.417 6.534 31.570 1.00 1.00 C ATOM 606 CG LEU A 41 34.992 5.162 31.942 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.520 4.757 33.342 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.522 4.118 30.925 1.00 1.00 C ATOM 0 H LEU A 41 33.384 6.355 29.343 1.00 1.00 H new ATOM 0 HA LEU A 41 32.533 5.520 31.843 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.882 6.895 30.652 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.650 7.258 32.351 1.00 1.00 H new ATOM 0 HG LEU A 41 36.081 5.218 31.934 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.933 3.781 33.597 1.00 1.00 H new ATOM 0 HD12 LEU A 41 34.859 5.496 34.068 1.00 1.00 H new ATOM 0 HD13 LEU A 41 33.431 4.705 33.358 1.00 1.00 H new ATOM 0 HD21 LEU A 41 34.931 3.143 31.189 1.00 1.00 H new ATOM 0 HD22 LEU A 41 33.433 4.069 30.931 1.00 1.00 H new ATOM 0 HD23 LEU A 41 34.867 4.398 29.930 1.00 1.00 H new ATOM 620 N GLY A 42 32.526 8.828 31.568 1.00 1.00 N ATOM 621 CA GLY A 42 31.943 10.041 32.132 1.00 1.00 C ATOM 622 C GLY A 42 31.533 11.012 31.031 1.00 1.00 C ATOM 623 O GLY A 42 31.675 12.226 31.177 1.00 1.00 O ATOM 0 H GLY A 42 33.165 8.986 30.789 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.074 9.784 32.737 1.00 1.00 H new ATOM 0 HA3 GLY A 42 32.663 10.520 32.795 1.00 1.00 H new ATOM 627 N THR A 43 31.023 10.470 29.930 1.00 1.00 N ATOM 628 CA THR A 43 30.595 11.301 28.810 1.00 1.00 C ATOM 629 C THR A 43 29.497 12.266 29.248 1.00 1.00 C ATOM 630 O THR A 43 29.454 13.414 28.807 1.00 1.00 O ATOM 631 CB THR A 43 30.077 10.419 27.672 1.00 1.00 C ATOM 632 OG1 THR A 43 29.497 11.239 26.667 1.00 1.00 O ATOM 633 CG2 THR A 43 29.027 9.447 28.211 1.00 1.00 C ATOM 0 H THR A 43 30.897 9.468 29.789 1.00 1.00 H new ATOM 0 HA THR A 43 31.452 11.877 28.461 1.00 1.00 H new ATOM 0 HB THR A 43 30.905 9.852 27.246 1.00 1.00 H new ATOM 0 HG1 THR A 43 30.040 11.192 25.853 1.00 1.00 H new ATOM 0 HG21 THR A 43 28.660 8.820 27.398 1.00 1.00 H new ATOM 0 HG22 THR A 43 29.474 8.818 28.981 1.00 1.00 H new ATOM 0 HG23 THR A 43 28.197 10.009 28.639 1.00 1.00 H new ATOM 641 N THR A 44 28.612 11.791 30.118 1.00 1.00 N ATOM 642 CA THR A 44 27.519 12.622 30.610 1.00 1.00 C ATOM 643 C THR A 44 27.892 13.266 31.941 1.00 1.00 C ATOM 644 O THR A 44 28.131 14.472 32.013 1.00 1.00 O ATOM 645 CB THR A 44 26.256 11.774 30.788 1.00 1.00 C ATOM 646 OG1 THR A 44 26.515 10.735 31.722 1.00 1.00 O ATOM 647 CG2 THR A 44 25.852 11.166 29.445 1.00 1.00 C ATOM 0 H THR A 44 28.629 10.843 30.494 1.00 1.00 H new ATOM 0 HA THR A 44 27.329 13.408 29.879 1.00 1.00 H new ATOM 0 HB THR A 44 25.445 12.402 31.157 1.00 1.00 H new ATOM 0 HG1 THR A 44 25.708 10.192 31.839 1.00 1.00 H new ATOM 0 HG21 THR A 44 24.953 10.563 29.574 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.654 11.964 28.729 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.660 10.537 29.073 1.00 1.00 H new ATOM 655 N GLY A 45 27.941 12.454 32.993 1.00 1.00 N ATOM 656 CA GLY A 45 28.286 12.957 34.317 1.00 1.00 C ATOM 657 C GLY A 45 28.836 11.839 35.197 1.00 1.00 C ATOM 658 O GLY A 45 30.011 11.846 35.564 1.00 1.00 O ATOM 0 H GLY A 45 27.748 11.453 32.955 1.00 1.00 H new ATOM 0 HA2 GLY A 45 29.026 13.752 34.227 1.00 1.00 H new ATOM 0 HA3 GLY A 45 27.404 13.394 34.786 1.00 1.00 H new ATOM 662 N ASN A 46 27.978 10.881 35.532 1.00 1.00 N ATOM 663 CA ASN A 46 28.388 9.760 36.369 1.00 1.00 C ATOM 664 C ASN A 46 29.276 10.242 37.512 1.00 1.00 C ATOM 665 O ASN A 46 30.490 10.369 37.356 1.00 1.00 O ATOM 666 CB ASN A 46 29.149 8.731 35.530 1.00 1.00 C ATOM 667 CG ASN A 46 28.216 7.590 35.134 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.972 6.683 35.929 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.678 7.582 33.945 1.00 1.00 N ATOM 0 H ASN A 46 27.001 10.858 35.239 1.00 1.00 H new ATOM 0 HA ASN A 46 27.494 9.298 36.787 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.556 9.206 34.637 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.994 8.341 36.097 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.054 6.823 33.673 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.882 8.335 33.288 1.00 1.00 H new ATOM 676 N GLY A 47 28.662 10.509 38.660 1.00 1.00 N ATOM 677 CA GLY A 47 29.407 10.976 39.823 1.00 1.00 C ATOM 678 C GLY A 47 29.402 12.500 39.897 1.00 1.00 C ATOM 679 O GLY A 47 30.177 13.096 40.643 1.00 1.00 O ATOM 0 H GLY A 47 27.658 10.411 38.809 1.00 1.00 H new ATOM 0 HA2 GLY A 47 28.968 10.562 40.731 1.00 1.00 H new ATOM 0 HA3 GLY A 47 30.434 10.614 39.772 1.00 1.00 H new ATOM 683 N LEU A 48 28.522 13.121 39.119 1.00 1.00 N ATOM 684 CA LEU A 48 28.425 14.577 39.104 1.00 1.00 C ATOM 685 C LEU A 48 26.967 15.014 38.995 1.00 1.00 C ATOM 686 O LEU A 48 26.545 15.968 39.650 1.00 1.00 O ATOM 687 CB LEU A 48 29.219 15.141 37.925 1.00 1.00 C ATOM 688 CG LEU A 48 30.376 15.994 38.448 1.00 1.00 C ATOM 689 CD1 LEU A 48 31.255 16.435 37.277 1.00 1.00 C ATOM 690 CD2 LEU A 48 29.819 17.228 39.160 1.00 1.00 C ATOM 0 H LEU A 48 27.871 12.644 38.495 1.00 1.00 H new ATOM 0 HA LEU A 48 28.839 14.961 40.036 1.00 1.00 H new ATOM 0 HB2 LEU A 48 29.603 14.328 37.309 1.00 1.00 H new ATOM 0 HB3 LEU A 48 28.569 15.742 37.290 1.00 1.00 H new ATOM 0 HG LEU A 48 30.971 15.408 39.148 1.00 1.00 H new ATOM 0 HD11 LEU A 48 32.079 17.043 37.650 1.00 1.00 H new ATOM 0 HD12 LEU A 48 31.653 15.556 36.769 1.00 1.00 H new ATOM 0 HD13 LEU A 48 30.660 17.021 36.576 1.00 1.00 H new ATOM 0 HD21 LEU A 48 30.643 17.836 39.533 1.00 1.00 H new ATOM 0 HD22 LEU A 48 29.223 17.814 38.460 1.00 1.00 H new ATOM 0 HD23 LEU A 48 29.193 16.914 39.995 1.00 1.00 H new ATOM 702 N VAL A 49 26.204 14.313 38.164 1.00 1.00 N ATOM 703 CA VAL A 49 24.795 14.639 37.978 1.00 1.00 C ATOM 704 C VAL A 49 24.064 14.643 39.316 1.00 1.00 C ATOM 705 O VAL A 49 23.036 15.303 39.471 1.00 1.00 O ATOM 706 CB VAL A 49 24.143 13.620 37.041 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.623 13.788 37.082 1.00 1.00 C ATOM 708 CG2 VAL A 49 24.642 13.850 35.613 1.00 1.00 C ATOM 0 H VAL A 49 26.534 13.521 37.612 1.00 1.00 H new ATOM 0 HA VAL A 49 24.727 15.634 37.537 1.00 1.00 H new ATOM 0 HB VAL A 49 24.406 12.612 37.361 1.00 1.00 H new ATOM 0 HG11 VAL A 49 22.159 13.062 36.415 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.266 13.626 38.099 1.00 1.00 H new ATOM 0 HG13 VAL A 49 22.360 14.796 36.762 1.00 1.00 H new ATOM 0 HG21 VAL A 49 24.178 13.125 34.944 1.00 1.00 H new ATOM 0 HG22 VAL A 49 24.379 14.858 35.294 1.00 1.00 H new ATOM 0 HG23 VAL A 49 25.725 13.731 35.582 1.00 1.00 H new ATOM 718 N LEU A 50 24.601 13.902 40.280 1.00 1.00 N ATOM 719 CA LEU A 50 23.990 13.828 41.602 1.00 1.00 C ATOM 720 C LEU A 50 24.443 14.999 42.468 1.00 1.00 C ATOM 721 O LEU A 50 23.671 15.526 43.270 1.00 1.00 O ATOM 722 CB LEU A 50 24.372 12.511 42.281 1.00 1.00 C ATOM 723 CG LEU A 50 25.815 12.153 41.924 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.470 11.430 43.103 1.00 1.00 C ATOM 725 CD2 LEU A 50 25.823 11.237 40.698 1.00 1.00 C ATOM 0 H LEU A 50 25.451 13.349 40.172 1.00 1.00 H new ATOM 0 HA LEU A 50 22.907 13.875 41.484 1.00 1.00 H new ATOM 0 HB2 LEU A 50 24.266 12.603 43.362 1.00 1.00 H new ATOM 0 HB3 LEU A 50 23.699 11.716 41.961 1.00 1.00 H new ATOM 0 HG LEU A 50 26.371 13.064 41.703 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.499 11.175 42.848 1.00 1.00 H new ATOM 0 HD12 LEU A 50 26.464 12.080 43.978 1.00 1.00 H new ATOM 0 HD13 LEU A 50 25.915 10.519 43.325 1.00 1.00 H new ATOM 0 HD21 LEU A 50 26.851 10.981 40.442 1.00 1.00 H new ATOM 0 HD22 LEU A 50 25.267 10.326 40.920 1.00 1.00 H new ATOM 0 HD23 LEU A 50 25.357 11.751 39.857 1.00 1.00 H new ATOM 737 N TRP A 51 25.698 15.401 42.300 1.00 1.00 N ATOM 738 CA TRP A 51 26.244 16.512 43.072 1.00 1.00 C ATOM 739 C TRP A 51 25.301 17.711 43.027 1.00 1.00 C ATOM 740 O TRP A 51 25.254 18.511 43.961 1.00 1.00 O ATOM 741 CB TRP A 51 27.610 16.916 42.513 1.00 1.00 C ATOM 742 CG TRP A 51 27.607 18.376 42.193 1.00 1.00 C ATOM 743 CD1 TRP A 51 27.049 18.928 41.091 1.00 1.00 C ATOM 744 CD2 TRP A 51 28.175 19.476 42.959 1.00 1.00 C ATOM 745 NE1 TRP A 51 27.240 20.298 41.132 1.00 1.00 N ATOM 746 CE2 TRP A 51 27.929 20.685 42.265 1.00 1.00 C ATOM 747 CE3 TRP A 51 28.874 19.543 44.178 1.00 1.00 C ATOM 748 CZ2 TRP A 51 28.361 21.915 42.761 1.00 1.00 C ATOM 749 CZ3 TRP A 51 29.310 20.781 44.681 1.00 1.00 C ATOM 750 CH2 TRP A 51 29.054 21.963 43.973 1.00 1.00 C ATOM 0 H TRP A 51 26.352 14.978 41.642 1.00 1.00 H new ATOM 0 HA TRP A 51 26.355 16.189 44.107 1.00 1.00 H new ATOM 0 HB2 TRP A 51 28.392 16.694 43.239 1.00 1.00 H new ATOM 0 HB3 TRP A 51 27.834 16.337 41.617 1.00 1.00 H new ATOM 0 HD1 TRP A 51 26.538 18.388 40.308 1.00 1.00 H new ATOM 0 HE1 TRP A 51 26.912 20.943 40.413 1.00 1.00 H new ATOM 0 HE3 TRP A 51 29.077 18.638 44.731 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 28.161 22.823 42.212 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 29.845 20.822 45.618 1.00 1.00 H new ATOM 0 HH2 TRP A 51 29.392 22.911 44.364 1.00 1.00 H new ATOM 761 N THR A 52 24.550 17.827 41.937 1.00 1.00 N ATOM 762 CA THR A 52 23.611 18.931 41.782 1.00 1.00 C ATOM 763 C THR A 52 22.383 18.718 42.662 1.00 1.00 C ATOM 764 O THR A 52 22.017 19.587 43.452 1.00 1.00 O ATOM 765 CB THR A 52 23.178 19.048 40.319 1.00 1.00 C ATOM 766 OG1 THR A 52 24.181 19.736 39.584 1.00 1.00 O ATOM 767 CG2 THR A 52 21.860 19.819 40.234 1.00 1.00 C ATOM 0 H THR A 52 24.573 17.175 41.153 1.00 1.00 H new ATOM 0 HA THR A 52 24.109 19.851 42.088 1.00 1.00 H new ATOM 0 HB THR A 52 23.039 18.051 39.900 1.00 1.00 H new ATOM 0 HG1 THR A 52 25.060 19.546 39.973 1.00 1.00 H new ATOM 0 HG21 THR A 52 21.553 19.901 39.191 1.00 1.00 H new ATOM 0 HG22 THR A 52 21.092 19.290 40.798 1.00 1.00 H new ATOM 0 HG23 THR A 52 21.994 20.816 40.652 1.00 1.00 H new ATOM 775 N VAL A 53 21.754 17.556 42.519 1.00 1.00 N ATOM 776 CA VAL A 53 20.567 17.240 43.307 1.00 1.00 C ATOM 777 C VAL A 53 20.875 17.330 44.798 1.00 1.00 C ATOM 778 O VAL A 53 20.202 18.047 45.539 1.00 1.00 O ATOM 779 CB VAL A 53 20.078 15.831 42.970 1.00 1.00 C ATOM 780 CG1 VAL A 53 18.856 15.496 43.826 1.00 1.00 C ATOM 781 CG2 VAL A 53 19.694 15.767 41.489 1.00 1.00 C ATOM 0 H VAL A 53 22.043 16.823 41.871 1.00 1.00 H new ATOM 0 HA VAL A 53 19.788 17.963 43.064 1.00 1.00 H new ATOM 0 HB VAL A 53 20.872 15.113 43.173 1.00 1.00 H new ATOM 0 HG11 VAL A 53 18.508 14.492 43.586 1.00 1.00 H new ATOM 0 HG12 VAL A 53 19.127 15.543 44.881 1.00 1.00 H new ATOM 0 HG13 VAL A 53 18.061 16.214 43.623 1.00 1.00 H new ATOM 0 HG21 VAL A 53 19.345 14.763 41.247 1.00 1.00 H new ATOM 0 HG22 VAL A 53 18.900 16.486 41.288 1.00 1.00 H new ATOM 0 HG23 VAL A 53 20.564 16.006 40.877 1.00 1.00 H new ATOM 791 N PHE A 54 21.897 16.598 45.231 1.00 1.00 N ATOM 792 CA PHE A 54 22.285 16.603 46.638 1.00 1.00 C ATOM 793 C PHE A 54 22.437 18.033 47.147 1.00 1.00 C ATOM 794 O PHE A 54 22.451 18.274 48.354 1.00 1.00 O ATOM 795 CB PHE A 54 23.606 15.853 46.816 1.00 1.00 C ATOM 796 CG PHE A 54 24.402 16.492 47.929 1.00 1.00 C ATOM 797 CD1 PHE A 54 24.016 16.308 49.261 1.00 1.00 C ATOM 798 CD2 PHE A 54 25.526 17.270 47.627 1.00 1.00 C ATOM 799 CE1 PHE A 54 24.754 16.902 50.293 1.00 1.00 C ATOM 800 CE2 PHE A 54 26.265 17.864 48.658 1.00 1.00 C ATOM 801 CZ PHE A 54 25.879 17.680 49.991 1.00 1.00 C ATOM 0 H PHE A 54 22.467 15.999 44.634 1.00 1.00 H new ATOM 0 HA PHE A 54 21.504 16.106 47.214 1.00 1.00 H new ATOM 0 HB2 PHE A 54 23.413 14.805 47.047 1.00 1.00 H new ATOM 0 HB3 PHE A 54 24.177 15.875 45.888 1.00 1.00 H new ATOM 0 HD1 PHE A 54 23.149 15.708 49.494 1.00 1.00 H new ATOM 0 HD2 PHE A 54 25.823 17.412 46.599 1.00 1.00 H new ATOM 0 HE1 PHE A 54 24.456 16.760 51.321 1.00 1.00 H new ATOM 0 HE2 PHE A 54 27.132 18.464 48.425 1.00 1.00 H new ATOM 0 HZ PHE A 54 26.448 18.138 50.786 1.00 1.00 H new ATOM 811 N ARG A 55 22.550 18.978 46.219 1.00 1.00 N ATOM 812 CA ARG A 55 22.700 20.381 46.586 1.00 1.00 C ATOM 813 C ARG A 55 21.374 21.119 46.435 1.00 1.00 C ATOM 814 O ARG A 55 21.016 21.949 47.272 1.00 1.00 O ATOM 815 CB ARG A 55 23.758 21.043 45.700 1.00 1.00 C ATOM 816 CG ARG A 55 24.897 21.573 46.573 1.00 1.00 C ATOM 817 CD ARG A 55 25.901 22.327 45.699 1.00 1.00 C ATOM 818 NE ARG A 55 25.676 23.764 45.796 1.00 1.00 N ATOM 819 CZ ARG A 55 26.339 24.618 45.023 1.00 1.00 C ATOM 820 NH1 ARG A 55 27.210 24.173 44.159 1.00 1.00 N ATOM 821 NH2 ARG A 55 26.119 25.899 45.129 1.00 1.00 N ATOM 0 H ARG A 55 22.541 18.800 45.215 1.00 1.00 H new ATOM 0 HA ARG A 55 23.015 20.432 47.628 1.00 1.00 H new ATOM 0 HB2 ARG A 55 24.144 20.324 44.977 1.00 1.00 H new ATOM 0 HB3 ARG A 55 23.312 21.859 45.131 1.00 1.00 H new ATOM 0 HG2 ARG A 55 24.501 22.234 47.344 1.00 1.00 H new ATOM 0 HG3 ARG A 55 25.392 20.747 47.084 1.00 1.00 H new ATOM 0 HD2 ARG A 55 26.917 22.089 46.013 1.00 1.00 H new ATOM 0 HD3 ARG A 55 25.804 22.006 44.662 1.00 1.00 H new ATOM 0 HE ARG A 55 24.998 24.120 46.469 1.00 1.00 H new ATOM 0 HH11 ARG A 55 27.381 23.171 44.078 1.00 1.00 H new ATOM 0 HH12 ARG A 55 27.719 24.827 43.565 1.00 1.00 H new ATOM 0 HH21 ARG A 55 25.438 26.245 45.805 1.00 1.00 H new ATOM 0 HH22 ARG A 55 26.628 26.555 44.536 1.00 1.00 H new ATOM 835 N LYS A 56 20.650 20.812 45.365 1.00 1.00 N ATOM 836 CA LYS A 56 19.364 21.453 45.115 1.00 1.00 C ATOM 837 C LYS A 56 18.565 21.576 46.409 1.00 1.00 C ATOM 838 O LYS A 56 17.932 22.599 46.664 1.00 1.00 O ATOM 839 CB LYS A 56 18.563 20.640 44.095 1.00 1.00 C ATOM 840 CG LYS A 56 19.158 20.844 42.700 1.00 1.00 C ATOM 841 CD LYS A 56 18.458 22.018 42.014 1.00 1.00 C ATOM 842 CE LYS A 56 19.184 22.353 40.709 1.00 1.00 C ATOM 843 NZ LYS A 56 20.301 23.298 40.990 1.00 1.00 N ATOM 0 H LYS A 56 20.929 20.128 44.661 1.00 1.00 H new ATOM 0 HA LYS A 56 19.549 22.451 44.719 1.00 1.00 H new ATOM 0 HB2 LYS A 56 18.583 19.583 44.360 1.00 1.00 H new ATOM 0 HB3 LYS A 56 17.518 20.951 44.106 1.00 1.00 H new ATOM 0 HG2 LYS A 56 20.228 21.038 42.774 1.00 1.00 H new ATOM 0 HG3 LYS A 56 19.039 19.938 42.106 1.00 1.00 H new ATOM 0 HD2 LYS A 56 17.418 21.766 41.809 1.00 1.00 H new ATOM 0 HD3 LYS A 56 18.452 22.887 42.672 1.00 1.00 H new ATOM 0 HE2 LYS A 56 19.570 21.442 40.251 1.00 1.00 H new ATOM 0 HE3 LYS A 56 18.488 22.797 39.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 20.794 23.526 40.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 19.920 24.171 41.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 20.969 22.858 41.655 1.00 1.00 H new ATOM 857 N LYS A 57 18.601 20.525 47.222 1.00 1.00 N ATOM 858 CA LYS A 57 17.878 20.526 48.488 1.00 1.00 C ATOM 859 C LYS A 57 18.701 21.210 49.575 1.00 1.00 C ATOM 860 O LYS A 57 18.754 20.743 50.714 1.00 1.00 O ATOM 861 CB LYS A 57 17.562 19.091 48.912 1.00 1.00 C ATOM 862 CG LYS A 57 16.722 18.412 47.828 1.00 1.00 C ATOM 863 CD LYS A 57 17.429 17.141 47.354 1.00 1.00 C ATOM 864 CE LYS A 57 16.517 16.378 46.391 1.00 1.00 C ATOM 865 NZ LYS A 57 15.319 15.884 47.129 1.00 1.00 N ATOM 0 H LYS A 57 19.119 19.668 47.029 1.00 1.00 H new ATOM 0 HA LYS A 57 16.947 21.077 48.352 1.00 1.00 H new ATOM 0 HB2 LYS A 57 18.486 18.536 49.072 1.00 1.00 H new ATOM 0 HB3 LYS A 57 17.022 19.091 49.859 1.00 1.00 H new ATOM 0 HG2 LYS A 57 15.734 18.167 48.219 1.00 1.00 H new ATOM 0 HG3 LYS A 57 16.573 19.092 46.989 1.00 1.00 H new ATOM 0 HD2 LYS A 57 18.366 17.396 46.859 1.00 1.00 H new ATOM 0 HD3 LYS A 57 17.681 16.512 48.208 1.00 1.00 H new ATOM 0 HE2 LYS A 57 16.210 17.028 45.571 1.00 1.00 H new ATOM 0 HE3 LYS A 57 17.056 15.540 45.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 14.910 15.072 46.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 15.598 15.591 48.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 14.612 16.644 47.192 1.00 1.00 H new ATOM 879 N GLY A 58 19.343 22.316 49.215 1.00 1.00 N ATOM 880 CA GLY A 58 20.162 23.056 50.169 1.00 1.00 C ATOM 881 C GLY A 58 19.345 24.143 50.861 1.00 1.00 C ATOM 882 O GLY A 58 19.871 25.199 51.211 1.00 1.00 O ATOM 0 H GLY A 58 19.313 22.718 48.278 1.00 1.00 H new ATOM 0 HA2 GLY A 58 20.568 22.371 50.914 1.00 1.00 H new ATOM 0 HA3 GLY A 58 21.010 23.506 49.654 1.00 1.00 H new ATOM 886 N HIS A 59 18.059 23.875 51.054 1.00 1.00 N ATOM 887 CA HIS A 59 17.178 24.839 51.706 1.00 1.00 C ATOM 888 C HIS A 59 17.289 24.725 53.222 1.00 1.00 C ATOM 889 O HIS A 59 17.828 25.613 53.883 1.00 1.00 O ATOM 890 CB HIS A 59 15.730 24.595 51.279 1.00 1.00 C ATOM 891 CG HIS A 59 15.556 24.999 49.841 1.00 1.00 C ATOM 892 ND1 HIS A 59 16.190 26.109 49.303 1.00 1.00 N ATOM 893 CD2 HIS A 59 14.822 24.454 48.816 1.00 1.00 C ATOM 894 CE1 HIS A 59 15.830 26.195 48.010 1.00 1.00 C ATOM 895 NE2 HIS A 59 14.998 25.211 47.661 1.00 1.00 N ATOM 0 H HIS A 59 17.605 23.006 50.772 1.00 1.00 H new ATOM 0 HA HIS A 59 17.481 25.842 51.405 1.00 1.00 H new ATOM 0 HB2 HIS A 59 15.475 23.543 51.406 1.00 1.00 H new ATOM 0 HB3 HIS A 59 15.052 25.166 51.913 1.00 1.00 H new ATOM 0 HD2 HIS A 59 14.203 23.573 48.894 1.00 1.00 H new ATOM 0 HE1 HIS A 59 16.172 26.966 47.336 1.00 1.00 H new ATOM 0 HE2 HIS A 59 14.581 25.049 46.745 1.00 1.00 H new ATOM 903 N HIS A 60 16.776 23.628 53.768 1.00 1.00 N ATOM 904 CA HIS A 60 16.823 23.408 55.209 1.00 1.00 C ATOM 905 C HIS A 60 16.487 24.695 55.958 1.00 1.00 C ATOM 906 O HIS A 60 17.240 25.133 56.827 1.00 1.00 O ATOM 907 CB HIS A 60 18.216 22.928 55.619 1.00 1.00 C ATOM 908 CG HIS A 60 18.122 22.164 56.911 1.00 1.00 C ATOM 909 ND1 HIS A 60 18.629 22.660 58.102 1.00 1.00 N ATOM 910 CD2 HIS A 60 17.585 20.938 57.216 1.00 1.00 C ATOM 911 CE1 HIS A 60 18.389 21.746 59.059 1.00 1.00 C ATOM 912 NE2 HIS A 60 17.753 20.676 58.572 1.00 1.00 N ATOM 0 H HIS A 60 16.325 22.881 53.239 1.00 1.00 H new ATOM 0 HA HIS A 60 16.086 22.647 55.466 1.00 1.00 H new ATOM 0 HB2 HIS A 60 18.638 22.294 54.839 1.00 1.00 H new ATOM 0 HB3 HIS A 60 18.886 23.780 55.735 1.00 1.00 H new ATOM 0 HD2 HIS A 60 17.105 20.277 56.510 1.00 1.00 H new ATOM 0 HE1 HIS A 60 18.675 21.862 60.094 1.00 1.00 H new ATOM 0 HE2 HIS A 60 17.455 19.846 59.084 1.00 1.00 H new ATOM 920 N HIS A 61 15.352 25.294 55.614 1.00 1.00 N ATOM 921 CA HIS A 61 14.925 26.529 56.260 1.00 1.00 C ATOM 922 C HIS A 61 14.566 26.274 57.721 1.00 1.00 C ATOM 923 O HIS A 61 15.344 26.581 58.624 1.00 1.00 O ATOM 924 CB HIS A 61 13.713 27.110 55.529 1.00 1.00 C ATOM 925 CG HIS A 61 14.161 27.745 54.241 1.00 1.00 C ATOM 926 ND1 HIS A 61 15.271 28.573 54.172 1.00 1.00 N ATOM 927 CD2 HIS A 61 13.659 27.684 52.965 1.00 1.00 C ATOM 928 CE1 HIS A 61 15.400 28.973 52.894 1.00 1.00 C ATOM 929 NE2 HIS A 61 14.443 28.459 52.116 1.00 1.00 N ATOM 0 H HIS A 61 14.715 24.947 54.897 1.00 1.00 H new ATOM 0 HA HIS A 61 15.749 27.241 56.219 1.00 1.00 H new ATOM 0 HB2 HIS A 61 12.986 26.324 55.326 1.00 1.00 H new ATOM 0 HB3 HIS A 61 13.216 27.849 56.157 1.00 1.00 H new ATOM 0 HD2 HIS A 61 12.788 27.120 52.665 1.00 1.00 H new ATOM 0 HE1 HIS A 61 16.181 29.629 52.540 1.00 1.00 H new ATOM 0 HE2 HIS A 61 14.315 28.604 51.115 1.00 1.00 H new ATOM 937 N HIS A 62 13.384 25.710 57.945 1.00 1.00 N ATOM 938 CA HIS A 62 12.933 25.419 59.300 1.00 1.00 C ATOM 939 C HIS A 62 13.246 26.584 60.232 1.00 1.00 C ATOM 940 O HIS A 62 14.213 26.540 60.993 1.00 1.00 O ATOM 941 CB HIS A 62 13.617 24.151 59.817 1.00 1.00 C ATOM 942 CG HIS A 62 12.870 23.630 61.014 1.00 1.00 C ATOM 943 ND1 HIS A 62 13.300 23.862 62.311 1.00 1.00 N ATOM 944 CD2 HIS A 62 11.720 22.888 61.128 1.00 1.00 C ATOM 945 CE1 HIS A 62 12.422 23.271 63.141 1.00 1.00 C ATOM 946 NE2 HIS A 62 11.440 22.661 62.472 1.00 1.00 N ATOM 0 H HIS A 62 12.726 25.447 57.212 1.00 1.00 H new ATOM 0 HA HIS A 62 11.854 25.267 59.278 1.00 1.00 H new ATOM 0 HB2 HIS A 62 13.643 23.394 59.033 1.00 1.00 H new ATOM 0 HB3 HIS A 62 14.651 24.367 60.086 1.00 1.00 H new ATOM 0 HD2 HIS A 62 11.123 22.534 60.300 1.00 1.00 H new ATOM 0 HE1 HIS A 62 12.501 23.288 64.218 1.00 1.00 H new ATOM 0 HE2 HIS A 62 10.654 22.141 62.862 1.00 1.00 H new ATOM 954 N HIS A 63 12.423 27.625 60.168 1.00 1.00 N ATOM 955 CA HIS A 63 12.623 28.798 61.011 1.00 1.00 C ATOM 956 C HIS A 63 12.613 28.406 62.485 1.00 1.00 C ATOM 957 O HIS A 63 11.651 27.811 62.973 1.00 1.00 O ATOM 958 CB HIS A 63 11.521 29.825 60.747 1.00 1.00 C ATOM 959 CG HIS A 63 10.259 29.114 60.343 1.00 1.00 C ATOM 960 ND1 HIS A 63 9.953 28.846 59.018 1.00 1.00 N ATOM 961 CD2 HIS A 63 9.215 28.610 61.078 1.00 1.00 C ATOM 962 CE1 HIS A 63 8.769 28.207 58.996 1.00 1.00 C ATOM 963 NE2 HIS A 63 8.275 28.038 60.226 1.00 1.00 N ATOM 0 H HIS A 63 11.617 27.681 59.546 1.00 1.00 H new ATOM 0 HA HIS A 63 13.592 29.235 60.769 1.00 1.00 H new ATOM 0 HB2 HIS A 63 11.344 30.422 61.641 1.00 1.00 H new ATOM 0 HB3 HIS A 63 11.831 30.513 59.960 1.00 1.00 H new ATOM 0 HD2 HIS A 63 9.135 28.651 62.154 1.00 1.00 H new ATOM 0 HE1 HIS A 63 8.278 27.872 58.094 1.00 1.00 H new ATOM 0 HE2 HIS A 63 7.398 27.587 60.485 1.00 1.00 H new ATOM 971 N HIS A 64 13.689 28.743 63.190 1.00 1.00 N ATOM 972 CA HIS A 64 13.792 28.420 64.608 1.00 1.00 C ATOM 973 C HIS A 64 15.133 28.884 65.166 1.00 1.00 C ATOM 974 O HIS A 64 16.132 28.257 64.854 1.00 1.00 O ATOM 975 CB HIS A 64 13.647 26.911 64.813 1.00 1.00 C ATOM 976 CG HIS A 64 14.236 26.526 66.143 1.00 1.00 C ATOM 977 ND1 HIS A 64 14.303 27.190 67.343 1.00 1.00 N flip ATOM 978 CD2 HIS A 64 14.859 25.306 66.349 1.00 1.00 C flip ATOM 979 CE1 HIS A 64 14.958 26.396 68.280 1.00 1.00 C flip ATOM 980 NE2 HIS A 64 15.271 25.273 67.630 1.00 1.00 N flip ATOM 981 OXT HIS A 64 15.143 29.862 65.898 1.00 1.00 O ATOM 0 H HIS A 64 14.495 29.236 62.806 1.00 1.00 H new ATOM 0 HA HIS A 64 12.992 28.936 65.138 1.00 1.00 H new ATOM 0 HB2 HIS A 64 12.595 26.627 64.773 1.00 1.00 H new ATOM 0 HB3 HIS A 64 14.152 26.374 64.010 1.00 1.00 H new ATOM 0 HD2 HIS A 64 14.990 24.524 65.616 1.00 1.00 H new ATOM 0 HE1 HIS A 64 15.168 26.637 69.312 1.00 1.00 H new ATOM 0 HE2 HIS A 64 15.763 24.486 68.053 1.00 1.00 H new TER 989 HIS A 64