USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 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+ 175:sc= -0.971 (180deg=-1.07) USER MOD Single : A 9 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.3) 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= -1.09! C(o=-1.1!,f=-2.4!) USER MOD Single : A 16 GLN :FLIP amide:sc= -6.08! C(o=-11!,f=-6.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 20:sc= 0.0768 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -22:sc= 0.00517 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 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 180:sc= 0.424! USER MOD Single : A 44 THR OG1 : rot -170:sc= -1.16 USER MOD Single : A 46 ASN :FLIP amide:sc= -4.43 F(o=-7.1!,f=-4.4) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0065 (180deg=-0.558) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-9.3!) USER MOD Single : A 61 HIS :FLIP no HD1:sc= 0.449 F(o=-2.2!,f=0.45) USER MOD Single : A 62 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.37) USER MOD Single : A 63 HIS : no HD1:sc= 0.151 K(o=0.15,f=-1.6!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.082 24.505 -24.546 1.00 1.00 N ATOM 2 CA MET A 1 16.113 25.420 -23.370 1.00 1.00 C ATOM 3 C MET A 1 17.074 24.867 -22.324 1.00 1.00 C ATOM 4 O MET A 1 17.855 25.611 -21.729 1.00 1.00 O ATOM 5 CB MET A 1 14.706 25.533 -22.780 1.00 1.00 C ATOM 6 CG MET A 1 13.887 24.302 -23.169 1.00 1.00 C ATOM 7 SD MET A 1 12.350 24.272 -22.214 1.00 1.00 S ATOM 8 CE MET A 1 11.431 23.151 -23.297 1.00 1.00 C ATOM 0 H1 MET A 1 15.365 24.835 -25.224 1.00 1.00 H new ATOM 0 H2 MET A 1 17.015 24.498 -25.005 1.00 1.00 H new ATOM 0 H3 MET A 1 15.844 23.543 -24.231 1.00 1.00 H new ATOM 0 HA MET A 1 16.452 26.408 -23.680 1.00 1.00 H new ATOM 0 HB2 MET A 1 14.761 25.617 -21.695 1.00 1.00 H new ATOM 0 HB3 MET A 1 14.219 26.437 -23.146 1.00 1.00 H new ATOM 0 HG2 MET A 1 13.664 24.323 -24.236 1.00 1.00 H new ATOM 0 HG3 MET A 1 14.462 23.395 -22.981 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.433 22.989 -22.890 1.00 1.00 H new ATOM 0 HE2 MET A 1 11.351 23.590 -24.291 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.955 22.197 -23.363 1.00 1.00 H new ATOM 20 N GLU A 2 17.012 23.558 -22.104 1.00 1.00 N ATOM 21 CA GLU A 2 17.883 22.915 -21.126 1.00 1.00 C ATOM 22 C GLU A 2 18.410 21.590 -21.666 1.00 1.00 C ATOM 23 O GLU A 2 17.696 20.586 -21.678 1.00 1.00 O ATOM 24 CB GLU A 2 17.115 22.669 -19.825 1.00 1.00 C ATOM 25 CG GLU A 2 16.111 23.801 -19.603 1.00 1.00 C ATOM 26 CD GLU A 2 15.493 23.685 -18.214 1.00 1.00 C ATOM 27 OE1 GLU A 2 14.737 22.752 -18.000 1.00 1.00 O ATOM 28 OE2 GLU A 2 15.784 24.530 -17.384 1.00 1.00 O ATOM 0 H GLU A 2 16.373 22.925 -22.585 1.00 1.00 H new ATOM 0 HA GLU A 2 18.728 23.576 -20.930 1.00 1.00 H new ATOM 0 HB2 GLU A 2 16.595 21.712 -19.872 1.00 1.00 H new ATOM 0 HB3 GLU A 2 17.808 22.614 -18.986 1.00 1.00 H new ATOM 0 HG2 GLU A 2 16.608 24.765 -19.709 1.00 1.00 H new ATOM 0 HG3 GLU A 2 15.330 23.760 -20.362 1.00 1.00 H new ATOM 35 N GLU A 3 19.661 21.595 -22.113 1.00 1.00 N ATOM 36 CA GLU A 3 20.275 20.387 -22.654 1.00 1.00 C ATOM 37 C GLU A 3 21.695 20.224 -22.120 1.00 1.00 C ATOM 38 O GLU A 3 22.635 20.006 -22.885 1.00 1.00 O ATOM 39 CB GLU A 3 20.307 20.456 -24.182 1.00 1.00 C ATOM 40 CG GLU A 3 18.910 20.172 -24.736 1.00 1.00 C ATOM 41 CD GLU A 3 18.652 21.034 -25.967 1.00 1.00 C ATOM 42 OE1 GLU A 3 19.566 21.187 -26.762 1.00 1.00 O ATOM 43 OE2 GLU A 3 17.544 21.528 -26.098 1.00 1.00 O ATOM 0 H GLU A 3 20.267 22.416 -22.112 1.00 1.00 H new ATOM 0 HA GLU A 3 19.680 19.528 -22.342 1.00 1.00 H new ATOM 0 HB2 GLU A 3 20.644 21.441 -24.505 1.00 1.00 H new ATOM 0 HB3 GLU A 3 21.020 19.730 -24.574 1.00 1.00 H new ATOM 0 HG2 GLU A 3 18.820 19.117 -24.995 1.00 1.00 H new ATOM 0 HG3 GLU A 3 18.159 20.378 -23.974 1.00 1.00 H new ATOM 50 N GLY A 4 21.843 20.331 -20.804 1.00 1.00 N ATOM 51 CA GLY A 4 23.153 20.192 -20.179 1.00 1.00 C ATOM 52 C GLY A 4 23.352 21.244 -19.093 1.00 1.00 C ATOM 53 O GLY A 4 24.447 21.781 -18.929 1.00 1.00 O ATOM 0 H GLY A 4 21.078 20.512 -20.154 1.00 1.00 H new ATOM 0 HA2 GLY A 4 23.251 19.196 -19.748 1.00 1.00 H new ATOM 0 HA3 GLY A 4 23.933 20.291 -20.934 1.00 1.00 H new ATOM 57 N GLY A 5 22.286 21.533 -18.355 1.00 1.00 N ATOM 58 CA GLY A 5 22.355 22.524 -17.286 1.00 1.00 C ATOM 59 C GLY A 5 22.819 21.886 -15.981 1.00 1.00 C ATOM 60 O GLY A 5 22.082 21.854 -14.997 1.00 1.00 O ATOM 0 H GLY A 5 21.371 21.100 -18.475 1.00 1.00 H new ATOM 0 HA2 GLY A 5 23.041 23.323 -17.569 1.00 1.00 H new ATOM 0 HA3 GLY A 5 21.375 22.980 -17.144 1.00 1.00 H new ATOM 64 N ASP A 6 24.048 21.378 -15.982 1.00 1.00 N ATOM 65 CA ASP A 6 24.601 20.742 -14.792 1.00 1.00 C ATOM 66 C ASP A 6 23.577 19.808 -14.157 1.00 1.00 C ATOM 67 O ASP A 6 22.723 20.241 -13.383 1.00 1.00 O ATOM 68 CB ASP A 6 25.021 21.808 -13.777 1.00 1.00 C ATOM 69 CG ASP A 6 26.098 21.253 -12.852 1.00 1.00 C ATOM 70 OD1 ASP A 6 26.008 20.087 -12.504 1.00 1.00 O ATOM 71 OD2 ASP A 6 26.996 22.001 -12.506 1.00 1.00 O ATOM 0 H ASP A 6 24.675 21.394 -16.786 1.00 1.00 H new ATOM 0 HA ASP A 6 25.473 20.158 -15.088 1.00 1.00 H new ATOM 0 HB2 ASP A 6 25.396 22.689 -14.297 1.00 1.00 H new ATOM 0 HB3 ASP A 6 24.157 22.126 -13.193 1.00 1.00 H new ATOM 76 N PHE A 7 23.668 18.525 -14.491 1.00 1.00 N ATOM 77 CA PHE A 7 22.743 17.538 -13.946 1.00 1.00 C ATOM 78 C PHE A 7 23.072 17.241 -12.487 1.00 1.00 C ATOM 79 O PHE A 7 23.196 16.082 -12.092 1.00 1.00 O ATOM 80 CB PHE A 7 22.820 16.246 -14.762 1.00 1.00 C ATOM 81 CG PHE A 7 21.724 15.305 -14.323 1.00 1.00 C ATOM 82 CD1 PHE A 7 20.397 15.556 -14.693 1.00 1.00 C ATOM 83 CD2 PHE A 7 22.033 14.183 -13.544 1.00 1.00 C ATOM 84 CE1 PHE A 7 19.380 14.684 -14.286 1.00 1.00 C ATOM 85 CE2 PHE A 7 21.016 13.311 -13.137 1.00 1.00 C ATOM 86 CZ PHE A 7 19.689 13.562 -13.508 1.00 1.00 C ATOM 0 H PHE A 7 24.366 18.147 -15.131 1.00 1.00 H new ATOM 0 HA PHE A 7 21.733 17.944 -14.002 1.00 1.00 H new ATOM 0 HB2 PHE A 7 22.719 16.468 -15.824 1.00 1.00 H new ATOM 0 HB3 PHE A 7 23.794 15.775 -14.626 1.00 1.00 H new ATOM 0 HD1 PHE A 7 20.158 16.422 -15.292 1.00 1.00 H new ATOM 0 HD2 PHE A 7 23.056 13.990 -13.257 1.00 1.00 H new ATOM 0 HE1 PHE A 7 18.357 14.877 -14.572 1.00 1.00 H new ATOM 0 HE2 PHE A 7 21.255 12.445 -12.537 1.00 1.00 H new ATOM 0 HZ PHE A 7 18.904 12.890 -13.194 1.00 1.00 H new ATOM 96 N ASP A 8 23.212 18.296 -11.691 1.00 1.00 N ATOM 97 CA ASP A 8 23.526 18.137 -10.277 1.00 1.00 C ATOM 98 C ASP A 8 24.708 17.191 -10.096 1.00 1.00 C ATOM 99 O ASP A 8 24.714 16.354 -9.194 1.00 1.00 O ATOM 100 CB ASP A 8 22.309 17.589 -9.532 1.00 1.00 C ATOM 101 CG ASP A 8 22.355 18.020 -8.070 1.00 1.00 C ATOM 102 OD1 ASP A 8 22.386 19.215 -7.826 1.00 1.00 O ATOM 103 OD2 ASP A 8 22.360 17.149 -7.216 1.00 1.00 O ATOM 0 H ASP A 8 23.114 19.263 -11.999 1.00 1.00 H new ATOM 0 HA ASP A 8 23.791 19.112 -9.869 1.00 1.00 H new ATOM 0 HB2 ASP A 8 21.393 17.952 -9.998 1.00 1.00 H new ATOM 0 HB3 ASP A 8 22.291 16.501 -9.599 1.00 1.00 H new ATOM 108 N ASN A 9 25.705 17.331 -10.964 1.00 1.00 N ATOM 109 CA ASN A 9 26.892 16.485 -10.897 1.00 1.00 C ATOM 110 C ASN A 9 28.158 17.327 -11.029 1.00 1.00 C ATOM 111 O ASN A 9 29.047 17.008 -11.818 1.00 1.00 O ATOM 112 CB ASN A 9 26.852 15.442 -12.015 1.00 1.00 C ATOM 113 CG ASN A 9 27.928 14.387 -11.783 1.00 1.00 C ATOM 114 OD1 ASN A 9 28.181 13.997 -10.643 1.00 1.00 O ATOM 115 ND2 ASN A 9 28.581 13.899 -12.803 1.00 1.00 N ATOM 0 H ASN A 9 25.715 18.018 -11.718 1.00 1.00 H new ATOM 0 HA ASN A 9 26.903 15.982 -9.930 1.00 1.00 H new ATOM 0 HB2 ASN A 9 25.870 14.970 -12.048 1.00 1.00 H new ATOM 0 HB3 ASN A 9 27.007 15.925 -12.980 1.00 1.00 H new ATOM 0 HD21 ASN A 9 29.302 13.193 -12.656 1.00 1.00 H new ATOM 0 HD22 ASN A 9 28.370 14.224 -13.747 1.00 1.00 H new ATOM 122 N TYR A 10 28.230 18.402 -10.252 1.00 1.00 N ATOM 123 CA TYR A 10 29.392 19.283 -10.290 1.00 1.00 C ATOM 124 C TYR A 10 30.678 18.479 -10.135 1.00 1.00 C ATOM 125 O TYR A 10 30.797 17.645 -9.237 1.00 1.00 O ATOM 126 CB TYR A 10 29.297 20.320 -9.169 1.00 1.00 C ATOM 127 CG TYR A 10 28.560 21.539 -9.671 1.00 1.00 C ATOM 128 CD1 TYR A 10 29.191 22.426 -10.552 1.00 1.00 C ATOM 129 CD2 TYR A 10 27.245 21.782 -9.255 1.00 1.00 C ATOM 130 CE1 TYR A 10 28.506 23.554 -11.017 1.00 1.00 C ATOM 131 CE2 TYR A 10 26.561 22.911 -9.720 1.00 1.00 C ATOM 132 CZ TYR A 10 27.191 23.798 -10.602 1.00 1.00 C ATOM 133 OH TYR A 10 26.518 24.910 -11.060 1.00 1.00 O ATOM 0 H TYR A 10 27.504 18.683 -9.593 1.00 1.00 H new ATOM 0 HA TYR A 10 29.409 19.791 -11.254 1.00 1.00 H new ATOM 0 HB2 TYR A 10 28.777 19.896 -8.310 1.00 1.00 H new ATOM 0 HB3 TYR A 10 30.295 20.599 -8.832 1.00 1.00 H new ATOM 0 HD1 TYR A 10 30.205 22.240 -10.872 1.00 1.00 H new ATOM 0 HD2 TYR A 10 26.759 21.098 -8.575 1.00 1.00 H new ATOM 0 HE1 TYR A 10 28.992 24.238 -11.697 1.00 1.00 H new ATOM 0 HE2 TYR A 10 25.547 23.098 -9.399 1.00 1.00 H new ATOM 0 HH TYR A 10 25.617 24.928 -10.676 1.00 1.00 H new ATOM 143 N TYR A 11 31.640 18.735 -11.016 1.00 1.00 N ATOM 144 CA TYR A 11 32.915 18.030 -10.968 1.00 1.00 C ATOM 145 C TYR A 11 33.590 18.236 -9.615 1.00 1.00 C ATOM 146 O TYR A 11 33.090 18.975 -8.767 1.00 1.00 O ATOM 147 CB TYR A 11 33.835 18.534 -12.081 1.00 1.00 C ATOM 148 CG TYR A 11 33.459 17.869 -13.383 1.00 1.00 C ATOM 149 CD1 TYR A 11 33.868 16.555 -13.643 1.00 1.00 C ATOM 150 CD2 TYR A 11 32.702 18.567 -14.333 1.00 1.00 C ATOM 151 CE1 TYR A 11 33.520 15.940 -14.852 1.00 1.00 C ATOM 152 CE2 TYR A 11 32.354 17.951 -15.541 1.00 1.00 C ATOM 153 CZ TYR A 11 32.764 16.638 -15.800 1.00 1.00 C ATOM 154 OH TYR A 11 32.420 16.031 -16.991 1.00 1.00 O ATOM 0 H TYR A 11 31.562 19.421 -11.767 1.00 1.00 H new ATOM 0 HA TYR A 11 32.725 16.966 -11.109 1.00 1.00 H new ATOM 0 HB2 TYR A 11 33.750 19.617 -12.175 1.00 1.00 H new ATOM 0 HB3 TYR A 11 34.874 18.316 -11.835 1.00 1.00 H new ATOM 0 HD1 TYR A 11 34.452 16.016 -12.911 1.00 1.00 H new ATOM 0 HD2 TYR A 11 32.387 19.581 -14.133 1.00 1.00 H new ATOM 0 HE1 TYR A 11 33.835 14.927 -15.053 1.00 1.00 H new ATOM 0 HE2 TYR A 11 31.769 18.489 -16.273 1.00 1.00 H new ATOM 0 HH TYR A 11 31.894 16.653 -17.535 1.00 1.00 H new ATOM 164 N GLY A 12 34.728 17.576 -9.421 1.00 1.00 N ATOM 165 CA GLY A 12 35.464 17.695 -8.167 1.00 1.00 C ATOM 166 C GLY A 12 34.841 16.820 -7.086 1.00 1.00 C ATOM 167 O GLY A 12 33.987 17.271 -6.322 1.00 1.00 O ATOM 0 H GLY A 12 35.158 16.958 -10.110 1.00 1.00 H new ATOM 0 HA2 GLY A 12 36.503 17.405 -8.322 1.00 1.00 H new ATOM 0 HA3 GLY A 12 35.469 18.735 -7.841 1.00 1.00 H new ATOM 171 N ALA A 13 35.275 15.565 -7.024 1.00 1.00 N ATOM 172 CA ALA A 13 34.753 14.633 -6.031 1.00 1.00 C ATOM 173 C ALA A 13 35.273 14.986 -4.642 1.00 1.00 C ATOM 174 O ALA A 13 36.130 14.291 -4.094 1.00 1.00 O ATOM 175 CB ALA A 13 35.167 13.204 -6.387 1.00 1.00 C ATOM 0 H ALA A 13 35.982 15.172 -7.645 1.00 1.00 H new ATOM 0 HA ALA A 13 33.665 14.704 -6.028 1.00 1.00 H new ATOM 0 HB1 ALA A 13 34.773 12.514 -5.640 1.00 1.00 H new ATOM 0 HB2 ALA A 13 34.769 12.943 -7.368 1.00 1.00 H new ATOM 0 HB3 ALA A 13 36.255 13.135 -6.407 1.00 1.00 H new ATOM 181 N ASP A 14 34.749 16.068 -4.075 1.00 1.00 N ATOM 182 CA ASP A 14 35.168 16.503 -2.748 1.00 1.00 C ATOM 183 C ASP A 14 34.156 16.061 -1.695 1.00 1.00 C ATOM 184 O ASP A 14 33.775 16.841 -0.821 1.00 1.00 O ATOM 185 CB ASP A 14 35.309 18.026 -2.717 1.00 1.00 C ATOM 186 CG ASP A 14 33.930 18.676 -2.696 1.00 1.00 C ATOM 187 OD1 ASP A 14 33.178 18.456 -3.631 1.00 1.00 O ATOM 188 OD2 ASP A 14 33.646 19.384 -1.744 1.00 1.00 O ATOM 0 H ASP A 14 34.038 16.656 -4.510 1.00 1.00 H new ATOM 0 HA ASP A 14 36.132 16.046 -2.524 1.00 1.00 H new ATOM 0 HB2 ASP A 14 35.877 18.329 -1.837 1.00 1.00 H new ATOM 0 HB3 ASP A 14 35.867 18.366 -3.589 1.00 1.00 H new ATOM 193 N ASN A 15 33.725 14.808 -1.786 1.00 1.00 N ATOM 194 CA ASN A 15 32.756 14.275 -0.834 1.00 1.00 C ATOM 195 C ASN A 15 33.127 12.850 -0.434 1.00 1.00 C ATOM 196 O ASN A 15 32.372 12.175 0.266 1.00 1.00 O ATOM 197 CB ASN A 15 31.357 14.284 -1.454 1.00 1.00 C ATOM 198 CG ASN A 15 31.036 12.913 -2.039 1.00 1.00 C ATOM 199 OD1 ASN A 15 31.886 12.298 -2.683 1.00 1.00 O ATOM 200 ND2 ASN A 15 29.854 12.395 -1.854 1.00 1.00 N ATOM 0 H ASN A 15 34.027 14.147 -2.502 1.00 1.00 H new ATOM 0 HA ASN A 15 32.764 14.905 0.056 1.00 1.00 H new ATOM 0 HB2 ASN A 15 30.617 14.548 -0.698 1.00 1.00 H new ATOM 0 HB3 ASN A 15 31.301 15.043 -2.234 1.00 1.00 H new ATOM 0 HD21 ASN A 15 29.632 11.479 -2.243 1.00 1.00 H new ATOM 0 HD22 ASN A 15 29.151 12.906 -1.320 1.00 1.00 H new ATOM 207 N GLN A 16 34.295 12.400 -0.882 1.00 1.00 N ATOM 208 CA GLN A 16 34.756 11.054 -0.564 1.00 1.00 C ATOM 209 C GLN A 16 34.620 10.780 0.931 1.00 1.00 C ATOM 210 O GLN A 16 34.672 9.631 1.369 1.00 1.00 O ATOM 211 CB GLN A 16 36.217 10.888 -0.984 1.00 1.00 C ATOM 212 CG GLN A 16 36.943 12.229 -0.853 1.00 1.00 C ATOM 213 CD GLN A 16 36.581 12.889 0.473 1.00 1.00 C ATOM 214 OE1 GLN A 16 35.743 13.890 0.486 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 37.076 12.484 1.525 1.00 1.00 N flip ATOM 0 H GLN A 16 34.935 12.943 -1.462 1.00 1.00 H new ATOM 0 HA GLN A 16 34.139 10.341 -1.111 1.00 1.00 H new ATOM 0 HB2 GLN A 16 36.702 10.137 -0.360 1.00 1.00 H new ATOM 0 HB3 GLN A 16 36.272 10.532 -2.013 1.00 1.00 H new ATOM 0 HG2 GLN A 16 38.021 12.076 -0.910 1.00 1.00 H new ATOM 0 HG3 GLN A 16 36.669 12.883 -1.681 1.00 1.00 H new ATOM 0 HE21 GLN A 16 37.731 11.702 1.513 1.00 1.00 H new ATOM 0 HE22 GLN A 16 36.832 12.931 2.409 1.00 1.00 H new ATOM 224 N SER A 17 34.445 11.844 1.709 1.00 1.00 N ATOM 225 CA SER A 17 34.302 11.706 3.153 1.00 1.00 C ATOM 226 C SER A 17 33.043 10.916 3.494 1.00 1.00 C ATOM 227 O SER A 17 32.162 10.742 2.654 1.00 1.00 O ATOM 228 CB SER A 17 34.231 13.087 3.805 1.00 1.00 C ATOM 229 OG SER A 17 35.102 13.121 4.927 1.00 1.00 O ATOM 0 H SER A 17 34.399 12.804 1.367 1.00 1.00 H new ATOM 0 HA SER A 17 35.170 11.168 3.535 1.00 1.00 H new ATOM 0 HB2 SER A 17 34.514 13.856 3.087 1.00 1.00 H new ATOM 0 HB3 SER A 17 33.209 13.303 4.117 1.00 1.00 H new ATOM 0 HG SER A 17 35.060 14.006 5.347 1.00 1.00 H new ATOM 235 N GLU A 18 32.966 10.438 4.732 1.00 1.00 N ATOM 236 CA GLU A 18 31.810 9.666 5.172 1.00 1.00 C ATOM 237 C GLU A 18 31.375 8.688 4.087 1.00 1.00 C ATOM 238 O GLU A 18 30.277 8.798 3.541 1.00 1.00 O ATOM 239 CB GLU A 18 30.651 10.607 5.507 1.00 1.00 C ATOM 240 CG GLU A 18 29.654 9.887 6.416 1.00 1.00 C ATOM 241 CD GLU A 18 28.308 10.603 6.384 1.00 1.00 C ATOM 242 OE1 GLU A 18 27.859 10.928 5.297 1.00 1.00 O ATOM 243 OE2 GLU A 18 27.747 10.816 7.445 1.00 1.00 O ATOM 0 H GLU A 18 33.685 10.570 5.443 1.00 1.00 H new ATOM 0 HA GLU A 18 32.090 9.103 6.062 1.00 1.00 H new ATOM 0 HB2 GLU A 18 31.027 11.503 6.000 1.00 1.00 H new ATOM 0 HB3 GLU A 18 30.156 10.931 4.592 1.00 1.00 H new ATOM 0 HG2 GLU A 18 29.533 8.854 6.091 1.00 1.00 H new ATOM 0 HG3 GLU A 18 30.035 9.858 7.437 1.00 1.00 H new ATOM 250 N CYS A 19 32.244 7.731 3.778 1.00 1.00 N ATOM 251 CA CYS A 19 31.941 6.737 2.755 1.00 1.00 C ATOM 252 C CYS A 19 30.552 6.146 2.976 1.00 1.00 C ATOM 253 O CYS A 19 29.544 6.748 2.606 1.00 1.00 O ATOM 254 CB CYS A 19 32.981 5.617 2.789 1.00 1.00 C ATOM 255 SG CYS A 19 34.449 6.128 1.862 1.00 1.00 S ATOM 0 H CYS A 19 33.158 7.623 4.218 1.00 1.00 H new ATOM 0 HA CYS A 19 31.966 7.228 1.782 1.00 1.00 H new ATOM 0 HB2 CYS A 19 33.250 5.388 3.820 1.00 1.00 H new ATOM 0 HB3 CYS A 19 32.565 4.706 2.358 1.00 1.00 H new ATOM 0 HG CYS A 19 34.459 7.423 1.745 1.00 1.00 H new ATOM 261 N GLU A 20 30.508 4.962 3.580 1.00 1.00 N ATOM 262 CA GLU A 20 29.240 4.295 3.846 1.00 1.00 C ATOM 263 C GLU A 20 29.224 3.713 5.255 1.00 1.00 C ATOM 264 O GLU A 20 28.464 2.789 5.545 1.00 1.00 O ATOM 265 CB GLU A 20 29.014 3.176 2.827 1.00 1.00 C ATOM 266 CG GLU A 20 28.577 3.780 1.491 1.00 1.00 C ATOM 267 CD GLU A 20 27.056 3.849 1.422 1.00 1.00 C ATOM 268 OE1 GLU A 20 26.468 4.447 2.307 1.00 1.00 O ATOM 269 OE2 GLU A 20 26.500 3.302 0.483 1.00 1.00 O ATOM 0 H GLU A 20 31.332 4.448 3.893 1.00 1.00 H new ATOM 0 HA GLU A 20 28.440 5.031 3.761 1.00 1.00 H new ATOM 0 HB2 GLU A 20 29.930 2.600 2.695 1.00 1.00 H new ATOM 0 HB3 GLU A 20 28.253 2.486 3.192 1.00 1.00 H new ATOM 0 HG2 GLU A 20 29.000 4.778 1.378 1.00 1.00 H new ATOM 0 HG3 GLU A 20 28.960 3.177 0.668 1.00 1.00 H new ATOM 276 N TYR A 21 30.063 4.265 6.127 1.00 1.00 N ATOM 277 CA TYR A 21 30.139 3.801 7.506 1.00 1.00 C ATOM 278 C TYR A 21 30.022 2.282 7.581 1.00 1.00 C ATOM 279 O TYR A 21 29.638 1.729 8.612 1.00 1.00 O ATOM 280 CB TYR A 21 29.026 4.450 8.325 1.00 1.00 C ATOM 281 CG TYR A 21 27.692 4.183 7.670 1.00 1.00 C ATOM 282 CD1 TYR A 21 26.970 3.030 7.994 1.00 1.00 C ATOM 283 CD2 TYR A 21 27.178 5.092 6.737 1.00 1.00 C ATOM 284 CE1 TYR A 21 25.732 2.784 7.385 1.00 1.00 C ATOM 285 CE2 TYR A 21 25.942 4.846 6.128 1.00 1.00 C ATOM 286 CZ TYR A 21 25.219 3.693 6.453 1.00 1.00 C ATOM 287 OH TYR A 21 24.000 3.450 5.853 1.00 1.00 O ATOM 0 H TYR A 21 30.697 5.032 5.903 1.00 1.00 H new ATOM 0 HA TYR A 21 31.109 4.086 7.914 1.00 1.00 H new ATOM 0 HB2 TYR A 21 29.030 4.053 9.340 1.00 1.00 H new ATOM 0 HB3 TYR A 21 29.196 5.524 8.402 1.00 1.00 H new ATOM 0 HD1 TYR A 21 27.367 2.329 8.714 1.00 1.00 H new ATOM 0 HD2 TYR A 21 27.735 5.983 6.487 1.00 1.00 H new ATOM 0 HE1 TYR A 21 25.174 1.894 7.635 1.00 1.00 H new ATOM 0 HE2 TYR A 21 25.546 5.546 5.407 1.00 1.00 H new ATOM 0 HH TYR A 21 23.790 4.179 5.233 1.00 1.00 H new ATOM 297 N THR A 22 30.357 1.613 6.484 1.00 1.00 N ATOM 298 CA THR A 22 30.288 0.156 6.437 1.00 1.00 C ATOM 299 C THR A 22 31.667 -0.453 6.668 1.00 1.00 C ATOM 300 O THR A 22 31.826 -1.673 6.666 1.00 1.00 O ATOM 301 CB THR A 22 29.749 -0.299 5.078 1.00 1.00 C ATOM 302 OG1 THR A 22 28.782 0.635 4.617 1.00 1.00 O ATOM 303 CG2 THR A 22 29.101 -1.678 5.219 1.00 1.00 C ATOM 0 H THR A 22 30.677 2.052 5.620 1.00 1.00 H new ATOM 0 HA THR A 22 29.616 -0.182 7.226 1.00 1.00 H new ATOM 0 HB THR A 22 30.570 -0.357 4.363 1.00 1.00 H new ATOM 0 HG1 THR A 22 28.420 1.134 5.379 1.00 1.00 H new ATOM 0 HG21 THR A 22 28.718 -2.001 4.251 1.00 1.00 H new ATOM 0 HG22 THR A 22 29.843 -2.394 5.573 1.00 1.00 H new ATOM 0 HG23 THR A 22 28.280 -1.623 5.934 1.00 1.00 H new ATOM 311 N ASP A 23 32.663 0.406 6.867 1.00 1.00 N ATOM 312 CA ASP A 23 34.025 -0.060 7.098 1.00 1.00 C ATOM 313 C ASP A 23 34.687 0.751 8.207 1.00 1.00 C ATOM 314 O ASP A 23 35.907 0.918 8.223 1.00 1.00 O ATOM 315 CB ASP A 23 34.845 0.065 5.813 1.00 1.00 C ATOM 316 CG ASP A 23 35.798 -1.118 5.685 1.00 1.00 C ATOM 317 OD1 ASP A 23 35.389 -2.127 5.135 1.00 1.00 O ATOM 318 OD2 ASP A 23 36.924 -0.998 6.140 1.00 1.00 O ATOM 0 H ASP A 23 32.553 1.420 6.873 1.00 1.00 H new ATOM 0 HA ASP A 23 33.985 -1.106 7.402 1.00 1.00 H new ATOM 0 HB2 ASP A 23 34.180 0.102 4.950 1.00 1.00 H new ATOM 0 HB3 ASP A 23 35.409 0.998 5.821 1.00 1.00 H new ATOM 323 N TRP A 24 33.876 1.252 9.133 1.00 1.00 N ATOM 324 CA TRP A 24 34.394 2.044 10.242 1.00 1.00 C ATOM 325 C TRP A 24 35.432 1.248 11.034 1.00 1.00 C ATOM 326 O TRP A 24 36.582 1.126 10.613 1.00 1.00 O ATOM 327 CB TRP A 24 33.247 2.477 11.162 1.00 1.00 C ATOM 328 CG TRP A 24 32.188 1.418 11.195 1.00 1.00 C ATOM 329 CD1 TRP A 24 32.402 0.093 11.022 1.00 1.00 C ATOM 330 CD2 TRP A 24 30.756 1.577 11.411 1.00 1.00 C ATOM 331 NE1 TRP A 24 31.191 -0.572 11.119 1.00 1.00 N ATOM 332 CE2 TRP A 24 30.148 0.301 11.359 1.00 1.00 C ATOM 333 CE3 TRP A 24 29.935 2.694 11.645 1.00 1.00 C ATOM 334 CZ2 TRP A 24 28.773 0.139 11.532 1.00 1.00 C ATOM 335 CZ3 TRP A 24 28.550 2.535 11.821 1.00 1.00 C ATOM 336 CH2 TRP A 24 27.971 1.259 11.765 1.00 1.00 C ATOM 0 H TRP A 24 32.864 1.125 9.138 1.00 1.00 H new ATOM 0 HA TRP A 24 34.877 2.933 9.835 1.00 1.00 H new ATOM 0 HB2 TRP A 24 33.625 2.656 12.169 1.00 1.00 H new ATOM 0 HB3 TRP A 24 32.822 3.417 10.809 1.00 1.00 H new ATOM 0 HD1 TRP A 24 33.360 -0.370 10.838 1.00 1.00 H new ATOM 0 HE1 TRP A 24 31.083 -1.582 11.025 1.00 1.00 H new ATOM 0 HE3 TRP A 24 30.372 3.681 11.690 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 28.332 -0.846 11.486 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 27.928 3.400 12.000 1.00 1.00 H new ATOM 0 HH2 TRP A 24 26.906 1.142 11.902 1.00 1.00 H new ATOM 347 N LYS A 25 35.022 0.710 12.178 1.00 1.00 N ATOM 348 CA LYS A 25 35.929 -0.070 13.012 1.00 1.00 C ATOM 349 C LYS A 25 35.886 -1.543 12.623 1.00 1.00 C ATOM 350 O LYS A 25 35.588 -2.406 13.448 1.00 1.00 O ATOM 351 CB LYS A 25 35.549 0.085 14.485 1.00 1.00 C ATOM 352 CG LYS A 25 34.078 -0.288 14.677 1.00 1.00 C ATOM 353 CD LYS A 25 33.959 -1.320 15.799 1.00 1.00 C ATOM 354 CE LYS A 25 32.492 -1.715 15.976 1.00 1.00 C ATOM 355 NZ LYS A 25 32.397 -2.854 16.934 1.00 1.00 N ATOM 0 H LYS A 25 34.075 0.799 12.547 1.00 1.00 H new ATOM 0 HA LYS A 25 36.942 0.302 12.859 1.00 1.00 H new ATOM 0 HB2 LYS A 25 36.180 -0.553 15.103 1.00 1.00 H new ATOM 0 HB3 LYS A 25 35.720 1.112 14.809 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.495 0.600 14.921 1.00 1.00 H new ATOM 0 HG3 LYS A 25 33.670 -0.693 13.751 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.558 -2.200 15.563 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.350 -0.908 16.729 1.00 1.00 H new ATOM 0 HE2 LYS A 25 31.917 -0.866 16.346 1.00 1.00 H new ATOM 0 HE3 LYS A 25 32.062 -1.997 15.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 31.400 -3.123 17.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 32.932 -3.665 16.563 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 32.793 -2.569 17.853 1.00 1.00 H new ATOM 369 N SER A 26 36.185 -1.824 11.359 1.00 1.00 N ATOM 370 CA SER A 26 36.178 -3.198 10.869 1.00 1.00 C ATOM 371 C SER A 26 37.598 -3.746 10.790 1.00 1.00 C ATOM 372 O SER A 26 37.802 -4.942 10.583 1.00 1.00 O ATOM 373 CB SER A 26 35.528 -3.255 9.486 1.00 1.00 C ATOM 374 OG SER A 26 36.534 -3.120 8.490 1.00 1.00 O ATOM 0 H SER A 26 36.434 -1.124 10.660 1.00 1.00 H new ATOM 0 HA SER A 26 35.604 -3.810 11.565 1.00 1.00 H new ATOM 0 HB2 SER A 26 34.998 -4.199 9.359 1.00 1.00 H new ATOM 0 HB3 SER A 26 34.790 -2.459 9.385 1.00 1.00 H new ATOM 0 HG SER A 26 36.122 -3.158 7.602 1.00 1.00 H new ATOM 380 N SER A 27 38.577 -2.862 10.956 1.00 1.00 N ATOM 381 CA SER A 27 39.976 -3.269 10.902 1.00 1.00 C ATOM 382 C SER A 27 40.226 -4.453 11.830 1.00 1.00 C ATOM 383 O SER A 27 41.233 -5.151 11.706 1.00 1.00 O ATOM 384 CB SER A 27 40.876 -2.102 11.309 1.00 1.00 C ATOM 385 OG SER A 27 41.279 -1.391 10.145 1.00 1.00 O ATOM 0 H SER A 27 38.429 -1.867 11.128 1.00 1.00 H new ATOM 0 HA SER A 27 40.208 -3.567 9.880 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.344 -1.437 11.989 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.751 -2.472 11.844 1.00 1.00 H new ATOM 0 HG SER A 27 41.855 -0.641 10.403 1.00 1.00 H new ATOM 391 N GLY A 28 39.303 -4.675 12.760 1.00 1.00 N ATOM 392 CA GLY A 28 39.433 -5.779 13.704 1.00 1.00 C ATOM 393 C GLY A 28 38.992 -5.356 15.101 1.00 1.00 C ATOM 394 O GLY A 28 38.938 -6.174 16.018 1.00 1.00 O ATOM 0 H GLY A 28 38.463 -4.110 12.880 1.00 1.00 H new ATOM 0 HA2 GLY A 28 38.830 -6.623 13.368 1.00 1.00 H new ATOM 0 HA3 GLY A 28 40.468 -6.118 13.732 1.00 1.00 H new ATOM 398 N ALA A 29 38.677 -4.074 15.255 1.00 1.00 N ATOM 399 CA ALA A 29 38.241 -3.555 16.546 1.00 1.00 C ATOM 400 C ALA A 29 39.258 -3.894 17.630 1.00 1.00 C ATOM 401 O ALA A 29 38.953 -4.626 18.572 1.00 1.00 O ATOM 402 CB ALA A 29 36.880 -4.148 16.915 1.00 1.00 C ATOM 0 H ALA A 29 38.715 -3.380 14.508 1.00 1.00 H new ATOM 0 HA ALA A 29 38.155 -2.471 16.471 1.00 1.00 H new ATOM 0 HB1 ALA A 29 36.562 -3.755 17.881 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.147 -3.879 16.154 1.00 1.00 H new ATOM 0 HB3 ALA A 29 36.960 -5.234 16.973 1.00 1.00 H new ATOM 408 N LEU A 30 40.467 -3.358 17.490 1.00 1.00 N ATOM 409 CA LEU A 30 41.524 -3.610 18.462 1.00 1.00 C ATOM 410 C LEU A 30 42.239 -2.311 18.821 1.00 1.00 C ATOM 411 O LEU A 30 43.450 -2.196 18.652 1.00 1.00 O ATOM 412 CB LEU A 30 42.533 -4.608 17.892 1.00 1.00 C ATOM 413 CG LEU A 30 41.934 -6.015 17.924 1.00 1.00 C ATOM 414 CD1 LEU A 30 42.440 -6.813 16.721 1.00 1.00 C ATOM 415 CD2 LEU A 30 42.355 -6.719 19.216 1.00 1.00 C ATOM 0 H LEU A 30 40.737 -2.750 16.717 1.00 1.00 H new ATOM 0 HA LEU A 30 41.072 -4.026 19.362 1.00 1.00 H new ATOM 0 HB2 LEU A 30 42.792 -4.335 16.869 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.455 -4.581 18.473 1.00 1.00 H new ATOM 0 HG LEU A 30 40.847 -5.948 17.884 1.00 1.00 H new ATOM 0 HD11 LEU A 30 42.013 -7.816 16.744 1.00 1.00 H new ATOM 0 HD12 LEU A 30 42.141 -6.312 15.800 1.00 1.00 H new ATOM 0 HD13 LEU A 30 43.527 -6.881 16.760 1.00 1.00 H new ATOM 0 HD21 LEU A 30 41.928 -7.722 19.240 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.442 -6.786 19.256 1.00 1.00 H new ATOM 0 HD23 LEU A 30 41.995 -6.151 20.074 1.00 1.00 H new ATOM 427 N ILE A 31 41.472 -1.341 19.318 1.00 1.00 N ATOM 428 CA ILE A 31 42.011 -0.036 19.714 1.00 1.00 C ATOM 429 C ILE A 31 40.867 0.943 19.991 1.00 1.00 C ATOM 430 O ILE A 31 40.925 1.714 20.947 1.00 1.00 O ATOM 431 CB ILE A 31 42.965 0.534 18.631 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.412 0.521 19.164 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.585 1.977 18.239 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.591 1.570 20.268 1.00 1.00 C ATOM 0 H ILE A 31 40.466 -1.434 19.458 1.00 1.00 H new ATOM 0 HA ILE A 31 42.591 -0.172 20.627 1.00 1.00 H new ATOM 0 HB ILE A 31 42.878 -0.094 17.745 1.00 1.00 H new ATOM 0 HG12 ILE A 31 44.653 -0.468 19.553 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.107 0.721 18.349 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.276 2.341 17.479 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.569 1.991 17.843 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.641 2.619 19.118 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.619 1.545 20.631 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.371 2.560 19.868 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.910 1.352 21.091 1.00 1.00 H new ATOM 446 N PRO A 32 39.837 0.936 19.175 1.00 1.00 N ATOM 447 CA PRO A 32 38.672 1.854 19.351 1.00 1.00 C ATOM 448 C PRO A 32 37.897 1.558 20.632 1.00 1.00 C ATOM 449 O PRO A 32 37.370 2.466 21.275 1.00 1.00 O ATOM 450 CB PRO A 32 37.799 1.603 18.112 1.00 1.00 C ATOM 451 CG PRO A 32 38.654 0.837 17.156 1.00 1.00 C ATOM 452 CD PRO A 32 39.656 0.064 18.005 1.00 1.00 C ATOM 0 HA PRO A 32 38.989 2.893 19.442 1.00 1.00 H new ATOM 0 HB2 PRO A 32 36.904 1.039 18.373 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.467 2.543 17.672 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.051 0.159 16.552 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.165 1.509 16.467 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.274 -0.917 18.288 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.594 -0.100 17.474 1.00 1.00 H new ATOM 460 N ALA A 33 37.831 0.281 20.997 1.00 1.00 N ATOM 461 CA ALA A 33 37.117 -0.121 22.203 1.00 1.00 C ATOM 462 C ALA A 33 37.829 0.405 23.444 1.00 1.00 C ATOM 463 O ALA A 33 37.318 0.288 24.559 1.00 1.00 O ATOM 464 CB ALA A 33 37.024 -1.646 22.275 1.00 1.00 C ATOM 0 H ALA A 33 38.259 -0.487 20.480 1.00 1.00 H new ATOM 0 HA ALA A 33 36.113 0.301 22.165 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.489 -1.936 23.179 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.489 -2.020 21.402 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.027 -2.071 22.295 1.00 1.00 H new ATOM 470 N ILE A 34 39.008 0.986 23.241 1.00 1.00 N ATOM 471 CA ILE A 34 39.786 1.530 24.349 1.00 1.00 C ATOM 472 C ILE A 34 39.768 3.055 24.312 1.00 1.00 C ATOM 473 O ILE A 34 40.075 3.713 25.306 1.00 1.00 O ATOM 474 CB ILE A 34 41.230 1.034 24.264 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.278 -0.455 24.611 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.098 1.815 25.252 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.162 -1.188 23.601 1.00 1.00 C ATOM 0 H ILE A 34 39.444 1.092 22.325 1.00 1.00 H new ATOM 0 HA ILE A 34 39.341 1.193 25.285 1.00 1.00 H new ATOM 0 HB ILE A 34 41.606 1.185 23.252 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.670 -0.592 25.619 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.272 -0.874 24.601 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.127 1.461 25.191 1.00 1.00 H new ATOM 0 HG22 ILE A 34 42.064 2.876 25.006 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.722 1.665 26.264 1.00 1.00 H new ATOM 0 HD11 ILE A 34 42.195 -2.249 23.849 1.00 1.00 H new ATOM 0 HD12 ILE A 34 41.751 -1.063 22.599 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.171 -0.776 23.634 1.00 1.00 H new ATOM 489 N TYR A 35 39.406 3.608 23.159 1.00 1.00 N ATOM 490 CA TYR A 35 39.351 5.056 23.001 1.00 1.00 C ATOM 491 C TYR A 35 38.039 5.606 23.551 1.00 1.00 C ATOM 492 O TYR A 35 38.029 6.596 24.283 1.00 1.00 O ATOM 493 CB TYR A 35 39.482 5.425 21.522 1.00 1.00 C ATOM 494 CG TYR A 35 40.519 6.511 21.363 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.429 7.681 22.127 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.571 6.349 20.453 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.390 8.688 21.981 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.532 7.357 20.307 1.00 1.00 C ATOM 499 CZ TYR A 35 42.441 8.526 21.071 1.00 1.00 C ATOM 500 OH TYR A 35 43.388 9.520 20.927 1.00 1.00 O ATOM 0 H TYR A 35 39.148 3.079 22.326 1.00 1.00 H new ATOM 0 HA TYR A 35 40.178 5.495 23.559 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.767 4.548 20.941 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.522 5.765 21.135 1.00 1.00 H new ATOM 0 HD1 TYR A 35 39.618 7.806 22.829 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.641 5.447 19.864 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.321 9.590 22.571 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.343 7.232 19.605 1.00 1.00 H new ATOM 0 HH TYR A 35 44.048 9.248 20.256 1.00 1.00 H new ATOM 510 N MET A 36 36.935 4.958 23.194 1.00 1.00 N ATOM 511 CA MET A 36 35.623 5.393 23.660 1.00 1.00 C ATOM 512 C MET A 36 35.407 4.975 25.111 1.00 1.00 C ATOM 513 O MET A 36 34.791 5.701 25.892 1.00 1.00 O ATOM 514 CB MET A 36 34.528 4.784 22.783 1.00 1.00 C ATOM 515 CG MET A 36 34.997 4.757 21.327 1.00 1.00 C ATOM 516 SD MET A 36 33.587 5.058 20.232 1.00 1.00 S ATOM 517 CE MET A 36 34.369 6.320 19.197 1.00 1.00 C ATOM 0 H MET A 36 36.922 4.137 22.589 1.00 1.00 H new ATOM 0 HA MET A 36 35.576 6.480 23.595 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.297 3.774 23.121 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.611 5.367 22.870 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.764 5.515 21.167 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.450 3.792 21.098 1.00 1.00 H new ATOM 0 HE1 MET A 36 33.664 6.655 18.437 1.00 1.00 H new ATOM 0 HE2 MET A 36 34.665 7.167 19.817 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.251 5.899 18.713 1.00 1.00 H new ATOM 527 N LEU A 37 35.917 3.800 25.465 1.00 1.00 N ATOM 528 CA LEU A 37 35.775 3.294 26.825 1.00 1.00 C ATOM 529 C LEU A 37 36.187 4.357 27.837 1.00 1.00 C ATOM 530 O LEU A 37 35.844 4.273 29.015 1.00 1.00 O ATOM 531 CB LEU A 37 36.640 2.046 27.009 1.00 1.00 C ATOM 532 CG LEU A 37 35.750 0.802 27.015 1.00 1.00 C ATOM 533 CD1 LEU A 37 34.928 0.753 25.726 1.00 1.00 C ATOM 534 CD2 LEU A 37 36.626 -0.450 27.108 1.00 1.00 C ATOM 0 H LEU A 37 36.429 3.184 24.834 1.00 1.00 H new ATOM 0 HA LEU A 37 34.729 3.038 26.992 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.373 1.977 26.205 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.197 2.112 27.944 1.00 1.00 H new ATOM 0 HG LEU A 37 35.078 0.842 27.872 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.294 -0.134 25.732 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.304 1.644 25.658 1.00 1.00 H new ATOM 0 HD13 LEU A 37 35.599 0.714 24.868 1.00 1.00 H new ATOM 0 HD21 LEU A 37 35.993 -1.337 27.112 1.00 1.00 H new ATOM 0 HD22 LEU A 37 37.298 -0.488 26.251 1.00 1.00 H new ATOM 0 HD23 LEU A 37 37.211 -0.417 28.027 1.00 1.00 H new ATOM 546 N VAL A 38 36.925 5.358 27.367 1.00 1.00 N ATOM 547 CA VAL A 38 37.379 6.435 28.240 1.00 1.00 C ATOM 548 C VAL A 38 36.500 7.669 28.067 1.00 1.00 C ATOM 549 O VAL A 38 36.441 8.530 28.945 1.00 1.00 O ATOM 550 CB VAL A 38 38.831 6.791 27.921 1.00 1.00 C ATOM 551 CG1 VAL A 38 39.293 7.925 28.837 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.718 5.564 28.144 1.00 1.00 C ATOM 0 H VAL A 38 37.220 5.446 26.394 1.00 1.00 H new ATOM 0 HA VAL A 38 37.309 6.094 29.273 1.00 1.00 H new ATOM 0 HB VAL A 38 38.905 7.111 26.882 1.00 1.00 H new ATOM 0 HG11 VAL A 38 40.328 8.178 28.609 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.662 8.800 28.679 1.00 1.00 H new ATOM 0 HG13 VAL A 38 39.218 7.606 29.877 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.753 5.817 27.917 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.642 5.244 29.183 1.00 1.00 H new ATOM 0 HG23 VAL A 38 39.391 4.755 27.491 1.00 1.00 H new ATOM 562 N PHE A 39 35.819 7.750 26.928 1.00 1.00 N ATOM 563 CA PHE A 39 34.946 8.884 26.649 1.00 1.00 C ATOM 564 C PHE A 39 33.570 8.665 27.270 1.00 1.00 C ATOM 565 O PHE A 39 33.076 9.508 28.019 1.00 1.00 O ATOM 566 CB PHE A 39 34.802 9.073 25.138 1.00 1.00 C ATOM 567 CG PHE A 39 34.764 10.547 24.816 1.00 1.00 C ATOM 568 CD1 PHE A 39 33.621 11.300 25.111 1.00 1.00 C ATOM 569 CD2 PHE A 39 35.873 11.162 24.222 1.00 1.00 C ATOM 570 CE1 PHE A 39 33.587 12.667 24.812 1.00 1.00 C ATOM 571 CE2 PHE A 39 35.839 12.529 23.923 1.00 1.00 C ATOM 572 CZ PHE A 39 34.696 13.282 24.218 1.00 1.00 C ATOM 0 H PHE A 39 35.854 7.049 26.188 1.00 1.00 H new ATOM 0 HA PHE A 39 35.391 9.778 27.085 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.636 8.598 24.620 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.891 8.589 24.786 1.00 1.00 H new ATOM 0 HD1 PHE A 39 32.766 10.826 25.569 1.00 1.00 H new ATOM 0 HD2 PHE A 39 36.755 10.581 23.995 1.00 1.00 H new ATOM 0 HE1 PHE A 39 32.705 13.248 25.039 1.00 1.00 H new ATOM 0 HE2 PHE A 39 36.694 13.003 23.465 1.00 1.00 H new ATOM 0 HZ PHE A 39 34.670 14.337 23.987 1.00 1.00 H new ATOM 582 N LEU A 40 32.958 7.529 26.955 1.00 1.00 N ATOM 583 CA LEU A 40 31.639 7.210 27.489 1.00 1.00 C ATOM 584 C LEU A 40 31.724 6.906 28.981 1.00 1.00 C ATOM 585 O LEU A 40 30.704 6.768 29.656 1.00 1.00 O ATOM 586 CB LEU A 40 31.054 6.003 26.753 1.00 1.00 C ATOM 587 CG LEU A 40 31.983 4.799 26.921 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.389 3.835 27.948 1.00 1.00 C ATOM 589 CD2 LEU A 40 32.135 4.082 25.578 1.00 1.00 C ATOM 0 H LEU A 40 33.350 6.818 26.337 1.00 1.00 H new ATOM 0 HA LEU A 40 30.990 8.074 27.342 1.00 1.00 H new ATOM 0 HB2 LEU A 40 30.065 5.769 27.146 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.930 6.235 25.695 1.00 1.00 H new ATOM 0 HG LEU A 40 32.960 5.139 27.265 1.00 1.00 H new ATOM 0 HD11 LEU A 40 32.051 2.977 28.067 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.280 4.345 28.905 1.00 1.00 H new ATOM 0 HD13 LEU A 40 30.412 3.494 27.605 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.797 3.224 25.696 1.00 1.00 H new ATOM 0 HD22 LEU A 40 31.158 3.742 25.234 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.559 4.768 24.845 1.00 1.00 H new ATOM 601 N LEU A 41 32.948 6.802 29.490 1.00 1.00 N ATOM 602 CA LEU A 41 33.155 6.514 30.904 1.00 1.00 C ATOM 603 C LEU A 41 32.651 7.668 31.766 1.00 1.00 C ATOM 604 O LEU A 41 32.019 7.455 32.800 1.00 1.00 O ATOM 605 CB LEU A 41 34.642 6.282 31.179 1.00 1.00 C ATOM 606 CG LEU A 41 34.829 4.933 31.876 1.00 1.00 C ATOM 607 CD1 LEU A 41 36.318 4.690 32.126 1.00 1.00 C ATOM 608 CD2 LEU A 41 34.084 4.946 33.213 1.00 1.00 C ATOM 0 H LEU A 41 33.805 6.912 28.948 1.00 1.00 H new ATOM 0 HA LEU A 41 32.594 5.614 31.157 1.00 1.00 H new ATOM 0 HB2 LEU A 41 35.203 6.301 30.244 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.036 7.084 31.804 1.00 1.00 H new ATOM 0 HG LEU A 41 34.433 4.138 31.244 1.00 1.00 H new ATOM 0 HD11 LEU A 41 36.451 3.729 32.623 1.00 1.00 H new ATOM 0 HD12 LEU A 41 36.850 4.684 31.175 1.00 1.00 H new ATOM 0 HD13 LEU A 41 36.715 5.484 32.759 1.00 1.00 H new ATOM 0 HD21 LEU A 41 34.215 3.986 33.712 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.483 5.740 33.844 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.023 5.121 33.036 1.00 1.00 H new ATOM 620 N GLY A 42 32.937 8.892 31.331 1.00 1.00 N ATOM 621 CA GLY A 42 32.508 10.074 32.071 1.00 1.00 C ATOM 622 C GLY A 42 31.022 10.343 31.852 1.00 1.00 C ATOM 623 O GLY A 42 30.258 10.472 32.808 1.00 1.00 O ATOM 0 H GLY A 42 33.459 9.090 30.478 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.704 9.933 33.134 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.089 10.939 31.752 1.00 1.00 H new ATOM 627 N THR A 43 30.621 10.427 30.588 1.00 1.00 N ATOM 628 CA THR A 43 29.224 10.681 30.256 1.00 1.00 C ATOM 629 C THR A 43 28.854 10.003 28.941 1.00 1.00 C ATOM 630 O THR A 43 29.226 8.856 28.695 1.00 1.00 O ATOM 631 CB THR A 43 28.979 12.188 30.143 1.00 1.00 C ATOM 632 OG1 THR A 43 27.608 12.423 29.857 1.00 1.00 O ATOM 633 CG2 THR A 43 29.843 12.763 29.020 1.00 1.00 C ATOM 0 H THR A 43 31.238 10.324 29.782 1.00 1.00 H new ATOM 0 HA THR A 43 28.601 10.271 31.051 1.00 1.00 H new ATOM 0 HB THR A 43 29.241 12.671 31.084 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.449 13.387 29.786 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.668 13.836 28.940 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.895 12.582 29.241 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.582 12.281 28.078 1.00 1.00 H new ATOM 641 N THR A 44 28.119 10.721 28.097 1.00 1.00 N ATOM 642 CA THR A 44 27.703 10.179 26.809 1.00 1.00 C ATOM 643 C THR A 44 26.637 9.105 26.999 1.00 1.00 C ATOM 644 O THR A 44 25.671 9.035 26.239 1.00 1.00 O ATOM 645 CB THR A 44 28.910 9.580 26.081 1.00 1.00 C ATOM 646 OG1 THR A 44 30.099 10.189 26.562 1.00 1.00 O ATOM 647 CG2 THR A 44 28.777 9.832 24.578 1.00 1.00 C ATOM 0 H THR A 44 27.801 11.673 28.280 1.00 1.00 H new ATOM 0 HA THR A 44 27.284 10.989 26.213 1.00 1.00 H new ATOM 0 HB THR A 44 28.951 8.506 26.265 1.00 1.00 H new ATOM 0 HG1 THR A 44 30.854 9.927 25.994 1.00 1.00 H new ATOM 0 HG21 THR A 44 29.636 9.406 24.060 1.00 1.00 H new ATOM 0 HG22 THR A 44 27.863 9.365 24.210 1.00 1.00 H new ATOM 0 HG23 THR A 44 28.737 10.905 24.391 1.00 1.00 H new ATOM 655 N GLY A 45 26.820 8.270 28.016 1.00 1.00 N ATOM 656 CA GLY A 45 25.867 7.202 28.296 1.00 1.00 C ATOM 657 C GLY A 45 25.977 6.740 29.745 1.00 1.00 C ATOM 658 O GLY A 45 26.129 5.549 30.017 1.00 1.00 O ATOM 0 H GLY A 45 27.613 8.311 28.656 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.854 7.552 28.098 1.00 1.00 H new ATOM 0 HA3 GLY A 45 26.050 6.361 27.627 1.00 1.00 H new ATOM 662 N ASN A 46 25.899 7.690 30.672 1.00 1.00 N ATOM 663 CA ASN A 46 25.991 7.369 32.090 1.00 1.00 C ATOM 664 C ASN A 46 25.277 8.425 32.927 1.00 1.00 C ATOM 665 O ASN A 46 25.658 9.596 32.922 1.00 1.00 O ATOM 666 CB ASN A 46 27.459 7.286 32.513 1.00 1.00 C ATOM 667 CG ASN A 46 28.130 6.095 31.838 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.489 6.183 30.587 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 28.333 5.058 32.468 1.00 1.00 N flip ATOM 0 H ASN A 46 25.773 8.681 30.468 1.00 1.00 H new ATOM 0 HA ASN A 46 25.510 6.405 32.256 1.00 1.00 H new ATOM 0 HB2 ASN A 46 27.976 8.207 32.243 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.529 7.187 33.596 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.051 4.992 33.446 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.783 4.264 32.012 1.00 1.00 H new ATOM 676 N GLY A 47 24.241 8.004 33.645 1.00 1.00 N ATOM 677 CA GLY A 47 23.480 8.925 34.482 1.00 1.00 C ATOM 678 C GLY A 47 22.297 9.507 33.718 1.00 1.00 C ATOM 679 O GLY A 47 21.293 9.899 34.313 1.00 1.00 O ATOM 0 H GLY A 47 23.911 7.039 33.665 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.123 8.404 35.370 1.00 1.00 H new ATOM 0 HA3 GLY A 47 24.129 9.731 34.824 1.00 1.00 H new ATOM 683 N LEU A 48 22.422 9.562 32.396 1.00 1.00 N ATOM 684 CA LEU A 48 21.356 10.100 31.559 1.00 1.00 C ATOM 685 C LEU A 48 20.543 8.969 30.938 1.00 1.00 C ATOM 686 O LEU A 48 19.380 9.150 30.581 1.00 1.00 O ATOM 687 CB LEU A 48 21.952 10.973 30.448 1.00 1.00 C ATOM 688 CG LEU A 48 21.799 12.456 30.803 1.00 1.00 C ATOM 689 CD1 LEU A 48 20.321 12.856 30.767 1.00 1.00 C ATOM 690 CD2 LEU A 48 22.360 12.707 32.206 1.00 1.00 C ATOM 0 H LEU A 48 23.245 9.243 31.884 1.00 1.00 H new ATOM 0 HA LEU A 48 20.699 10.706 32.183 1.00 1.00 H new ATOM 0 HB2 LEU A 48 23.006 10.731 30.311 1.00 1.00 H new ATOM 0 HB3 LEU A 48 21.451 10.764 29.503 1.00 1.00 H new ATOM 0 HG LEU A 48 22.348 13.053 30.075 1.00 1.00 H new ATOM 0 HD11 LEU A 48 20.223 13.912 31.021 1.00 1.00 H new ATOM 0 HD12 LEU A 48 19.922 12.685 29.767 1.00 1.00 H new ATOM 0 HD13 LEU A 48 19.764 12.257 31.487 1.00 1.00 H new ATOM 0 HD21 LEU A 48 22.251 13.762 32.458 1.00 1.00 H new ATOM 0 HD22 LEU A 48 21.813 12.103 32.930 1.00 1.00 H new ATOM 0 HD23 LEU A 48 23.415 12.435 32.230 1.00 1.00 H new ATOM 702 N VAL A 49 21.165 7.801 30.812 1.00 1.00 N ATOM 703 CA VAL A 49 20.489 6.646 30.233 1.00 1.00 C ATOM 704 C VAL A 49 19.632 5.944 31.282 1.00 1.00 C ATOM 705 O VAL A 49 18.425 5.782 31.103 1.00 1.00 O ATOM 706 CB VAL A 49 21.521 5.663 29.675 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.801 4.455 29.071 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.348 6.356 28.589 1.00 1.00 C ATOM 0 H VAL A 49 22.128 7.630 31.101 1.00 1.00 H new ATOM 0 HA VAL A 49 19.844 6.994 29.426 1.00 1.00 H new ATOM 0 HB VAL A 49 22.178 5.331 30.479 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.536 3.755 28.674 1.00 1.00 H new ATOM 0 HG12 VAL A 49 20.209 3.961 29.842 1.00 1.00 H new ATOM 0 HG13 VAL A 49 20.145 4.787 28.267 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.084 5.657 28.190 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.690 6.687 27.786 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.861 7.218 29.016 1.00 1.00 H new ATOM 718 N LEU A 50 20.264 5.531 32.375 1.00 1.00 N ATOM 719 CA LEU A 50 19.548 4.848 33.447 1.00 1.00 C ATOM 720 C LEU A 50 18.602 5.810 34.157 1.00 1.00 C ATOM 721 O LEU A 50 17.847 5.411 35.044 1.00 1.00 O ATOM 722 CB LEU A 50 20.545 4.272 34.455 1.00 1.00 C ATOM 723 CG LEU A 50 21.466 5.384 34.955 1.00 1.00 C ATOM 724 CD1 LEU A 50 21.308 5.537 36.469 1.00 1.00 C ATOM 725 CD2 LEU A 50 22.918 5.026 34.630 1.00 1.00 C ATOM 0 H LEU A 50 21.263 5.656 32.542 1.00 1.00 H new ATOM 0 HA LEU A 50 18.963 4.038 33.011 1.00 1.00 H new ATOM 0 HB2 LEU A 50 20.012 3.823 35.293 1.00 1.00 H new ATOM 0 HB3 LEU A 50 21.133 3.481 33.990 1.00 1.00 H new ATOM 0 HG LEU A 50 21.202 6.321 34.465 1.00 1.00 H new ATOM 0 HD11 LEU A 50 21.965 6.330 36.825 1.00 1.00 H new ATOM 0 HD12 LEU A 50 20.274 5.790 36.703 1.00 1.00 H new ATOM 0 HD13 LEU A 50 21.572 4.600 36.959 1.00 1.00 H new ATOM 0 HD21 LEU A 50 23.577 5.818 34.986 1.00 1.00 H new ATOM 0 HD22 LEU A 50 23.180 4.089 35.120 1.00 1.00 H new ATOM 0 HD23 LEU A 50 23.033 4.916 33.552 1.00 1.00 H new ATOM 737 N TRP A 51 18.649 7.078 33.761 1.00 1.00 N ATOM 738 CA TRP A 51 17.790 8.089 34.368 1.00 1.00 C ATOM 739 C TRP A 51 16.377 8.002 33.801 1.00 1.00 C ATOM 740 O TRP A 51 15.398 8.243 34.508 1.00 1.00 O ATOM 741 CB TRP A 51 18.361 9.484 34.107 1.00 1.00 C ATOM 742 CG TRP A 51 17.288 10.368 33.558 1.00 1.00 C ATOM 743 CD1 TRP A 51 16.882 10.386 32.268 1.00 1.00 C ATOM 744 CD2 TRP A 51 16.479 11.359 34.256 1.00 1.00 C ATOM 745 NE1 TRP A 51 15.875 11.326 32.129 1.00 1.00 N ATOM 746 CE2 TRP A 51 15.592 11.952 33.327 1.00 1.00 C ATOM 747 CE3 TRP A 51 16.430 11.796 35.592 1.00 1.00 C ATOM 748 CZ2 TRP A 51 14.688 12.943 33.709 1.00 1.00 C ATOM 749 CZ3 TRP A 51 15.521 12.795 35.980 1.00 1.00 C ATOM 750 CH2 TRP A 51 14.652 13.366 35.041 1.00 1.00 C ATOM 0 H TRP A 51 19.267 7.428 33.029 1.00 1.00 H new ATOM 0 HA TRP A 51 17.750 7.908 35.442 1.00 1.00 H new ATOM 0 HB2 TRP A 51 18.756 9.905 35.031 1.00 1.00 H new ATOM 0 HB3 TRP A 51 19.192 9.423 33.404 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.278 9.768 31.476 1.00 1.00 H new ATOM 0 HE1 TRP A 51 15.400 11.531 31.250 1.00 1.00 H new ATOM 0 HE3 TRP A 51 17.095 11.361 36.324 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 14.021 13.380 32.981 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 15.492 13.125 37.008 1.00 1.00 H new ATOM 0 HH2 TRP A 51 13.955 14.132 35.346 1.00 1.00 H new ATOM 761 N THR A 52 16.278 7.656 32.521 1.00 1.00 N ATOM 762 CA THR A 52 14.978 7.540 31.870 1.00 1.00 C ATOM 763 C THR A 52 14.195 6.364 32.443 1.00 1.00 C ATOM 764 O THR A 52 12.967 6.324 32.359 1.00 1.00 O ATOM 765 CB THR A 52 15.165 7.346 30.363 1.00 1.00 C ATOM 766 OG1 THR A 52 13.998 7.787 29.683 1.00 1.00 O ATOM 767 CG2 THR A 52 15.405 5.866 30.064 1.00 1.00 C ATOM 0 H THR A 52 17.075 7.453 31.918 1.00 1.00 H new ATOM 0 HA THR A 52 14.418 8.457 32.052 1.00 1.00 H new ATOM 0 HB THR A 52 16.024 7.926 30.024 1.00 1.00 H new ATOM 0 HG1 THR A 52 14.116 7.665 28.718 1.00 1.00 H new ATOM 0 HG21 THR A 52 15.538 5.729 28.991 1.00 1.00 H new ATOM 0 HG22 THR A 52 16.300 5.530 30.587 1.00 1.00 H new ATOM 0 HG23 THR A 52 14.548 5.283 30.401 1.00 1.00 H new ATOM 775 N VAL A 53 14.912 5.409 33.024 1.00 1.00 N ATOM 776 CA VAL A 53 14.273 4.235 33.608 1.00 1.00 C ATOM 777 C VAL A 53 13.641 4.582 34.952 1.00 1.00 C ATOM 778 O VAL A 53 12.607 4.030 35.325 1.00 1.00 O ATOM 779 CB VAL A 53 15.301 3.120 33.797 1.00 1.00 C ATOM 780 CG1 VAL A 53 14.602 1.862 34.317 1.00 1.00 C ATOM 781 CG2 VAL A 53 15.970 2.811 32.456 1.00 1.00 C ATOM 0 H VAL A 53 15.929 5.423 33.103 1.00 1.00 H new ATOM 0 HA VAL A 53 13.491 3.895 32.929 1.00 1.00 H new ATOM 0 HB VAL A 53 16.055 3.441 34.516 1.00 1.00 H new ATOM 0 HG11 VAL A 53 15.336 1.067 34.451 1.00 1.00 H new ATOM 0 HG12 VAL A 53 14.124 2.080 35.272 1.00 1.00 H new ATOM 0 HG13 VAL A 53 13.848 1.541 33.598 1.00 1.00 H new ATOM 0 HG21 VAL A 53 16.703 2.016 32.590 1.00 1.00 H new ATOM 0 HG22 VAL A 53 15.215 2.491 31.738 1.00 1.00 H new ATOM 0 HG23 VAL A 53 16.469 3.706 32.084 1.00 1.00 H new ATOM 791 N PHE A 54 14.273 5.500 35.677 1.00 1.00 N ATOM 792 CA PHE A 54 13.765 5.913 36.980 1.00 1.00 C ATOM 793 C PHE A 54 12.612 6.899 36.818 1.00 1.00 C ATOM 794 O PHE A 54 11.917 7.219 37.780 1.00 1.00 O ATOM 795 CB PHE A 54 14.883 6.562 37.795 1.00 1.00 C ATOM 796 CG PHE A 54 14.392 7.866 38.378 1.00 1.00 C ATOM 797 CD1 PHE A 54 13.712 7.873 39.602 1.00 1.00 C ATOM 798 CD2 PHE A 54 14.614 9.067 37.693 1.00 1.00 C ATOM 799 CE1 PHE A 54 13.256 9.081 40.143 1.00 1.00 C ATOM 800 CE2 PHE A 54 14.157 10.274 38.234 1.00 1.00 C ATOM 801 CZ PHE A 54 13.478 10.283 39.458 1.00 1.00 C ATOM 0 H PHE A 54 15.131 5.969 35.387 1.00 1.00 H new ATOM 0 HA PHE A 54 13.401 5.029 37.503 1.00 1.00 H new ATOM 0 HB2 PHE A 54 15.201 5.892 38.593 1.00 1.00 H new ATOM 0 HB3 PHE A 54 15.753 6.739 37.162 1.00 1.00 H new ATOM 0 HD1 PHE A 54 13.539 6.946 40.129 1.00 1.00 H new ATOM 0 HD2 PHE A 54 15.137 9.062 36.748 1.00 1.00 H new ATOM 0 HE1 PHE A 54 12.733 9.086 41.088 1.00 1.00 H new ATOM 0 HE2 PHE A 54 14.329 11.200 37.706 1.00 1.00 H new ATOM 0 HZ PHE A 54 13.126 11.215 39.874 1.00 1.00 H new ATOM 811 N ARG A 55 12.417 7.377 35.593 1.00 1.00 N ATOM 812 CA ARG A 55 11.345 8.326 35.315 1.00 1.00 C ATOM 813 C ARG A 55 10.081 7.595 34.875 1.00 1.00 C ATOM 814 O ARG A 55 9.009 7.790 35.448 1.00 1.00 O ATOM 815 CB ARG A 55 11.781 9.300 34.219 1.00 1.00 C ATOM 816 CG ARG A 55 12.706 10.362 34.817 1.00 1.00 C ATOM 817 CD ARG A 55 11.900 11.622 35.137 1.00 1.00 C ATOM 818 NE ARG A 55 10.596 11.261 35.683 1.00 1.00 N ATOM 819 CZ ARG A 55 9.851 12.154 36.326 1.00 1.00 C ATOM 820 NH1 ARG A 55 10.281 13.376 36.477 1.00 1.00 N ATOM 821 NH2 ARG A 55 8.687 11.807 36.807 1.00 1.00 N ATOM 0 H ARG A 55 12.983 7.125 34.783 1.00 1.00 H new ATOM 0 HA ARG A 55 11.130 8.880 36.229 1.00 1.00 H new ATOM 0 HB2 ARG A 55 12.295 8.761 33.423 1.00 1.00 H new ATOM 0 HB3 ARG A 55 10.908 9.774 33.771 1.00 1.00 H new ATOM 0 HG2 ARG A 55 13.178 9.980 35.722 1.00 1.00 H new ATOM 0 HG3 ARG A 55 13.506 10.598 34.116 1.00 1.00 H new ATOM 0 HD2 ARG A 55 12.444 12.238 35.853 1.00 1.00 H new ATOM 0 HD3 ARG A 55 11.772 12.219 34.234 1.00 1.00 H new ATOM 0 HE ARG A 55 10.251 10.308 35.569 1.00 1.00 H new ATOM 0 HH11 ARG A 55 11.190 13.647 36.101 1.00 1.00 H new ATOM 0 HH12 ARG A 55 9.708 14.061 36.971 1.00 1.00 H new ATOM 0 HH21 ARG A 55 8.351 10.851 36.689 1.00 1.00 H new ATOM 0 HH22 ARG A 55 8.114 12.492 37.301 1.00 1.00 H new ATOM 835 N LYS A 56 10.215 6.752 33.856 1.00 1.00 N ATOM 836 CA LYS A 56 9.076 5.996 33.348 1.00 1.00 C ATOM 837 C LYS A 56 8.321 5.330 34.494 1.00 1.00 C ATOM 838 O LYS A 56 7.113 5.516 34.645 1.00 1.00 O ATOM 839 CB LYS A 56 9.556 4.930 32.362 1.00 1.00 C ATOM 840 CG LYS A 56 10.296 5.599 31.204 1.00 1.00 C ATOM 841 CD LYS A 56 9.463 5.479 29.926 1.00 1.00 C ATOM 842 CE LYS A 56 10.182 6.191 28.779 1.00 1.00 C ATOM 843 NZ LYS A 56 9.865 7.647 28.821 1.00 1.00 N ATOM 0 H LYS A 56 11.094 6.576 33.369 1.00 1.00 H new ATOM 0 HA LYS A 56 8.403 6.686 32.838 1.00 1.00 H new ATOM 0 HB2 LYS A 56 10.214 4.223 32.867 1.00 1.00 H new ATOM 0 HB3 LYS A 56 8.707 4.361 31.984 1.00 1.00 H new ATOM 0 HG2 LYS A 56 10.479 6.649 31.434 1.00 1.00 H new ATOM 0 HG3 LYS A 56 11.269 5.130 31.061 1.00 1.00 H new ATOM 0 HD2 LYS A 56 9.309 4.429 29.677 1.00 1.00 H new ATOM 0 HD3 LYS A 56 8.477 5.918 30.079 1.00 1.00 H new ATOM 0 HE2 LYS A 56 11.258 6.040 28.861 1.00 1.00 H new ATOM 0 HE3 LYS A 56 9.872 5.768 27.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 10.354 8.131 28.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 8.838 7.782 28.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 10.181 8.045 29.728 1.00 1.00 H new ATOM 857 N LYS A 57 9.040 4.556 35.299 1.00 1.00 N ATOM 858 CA LYS A 57 8.426 3.867 36.429 1.00 1.00 C ATOM 859 C LYS A 57 8.092 4.855 37.542 1.00 1.00 C ATOM 860 O LYS A 57 8.495 4.671 38.690 1.00 1.00 O ATOM 861 CB LYS A 57 9.377 2.794 36.965 1.00 1.00 C ATOM 862 CG LYS A 57 9.507 1.667 35.938 1.00 1.00 C ATOM 863 CD LYS A 57 10.951 1.164 35.911 1.00 1.00 C ATOM 864 CE LYS A 57 11.011 -0.179 35.182 1.00 1.00 C ATOM 865 NZ LYS A 57 10.200 -0.104 33.934 1.00 1.00 N ATOM 0 H LYS A 57 10.041 4.390 35.192 1.00 1.00 H new ATOM 0 HA LYS A 57 7.504 3.398 36.087 1.00 1.00 H new ATOM 0 HB2 LYS A 57 10.355 3.229 37.169 1.00 1.00 H new ATOM 0 HB3 LYS A 57 9.001 2.399 37.909 1.00 1.00 H new ATOM 0 HG2 LYS A 57 8.831 0.850 36.191 1.00 1.00 H new ATOM 0 HG3 LYS A 57 9.217 2.026 34.950 1.00 1.00 H new ATOM 0 HD2 LYS A 57 11.591 1.890 35.410 1.00 1.00 H new ATOM 0 HD3 LYS A 57 11.328 1.055 36.928 1.00 1.00 H new ATOM 0 HE2 LYS A 57 12.045 -0.429 34.942 1.00 1.00 H new ATOM 0 HE3 LYS A 57 10.633 -0.972 35.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 10.508 -0.847 33.274 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.195 -0.241 34.164 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 10.330 0.828 33.491 1.00 1.00 H new ATOM 879 N GLY A 58 7.354 5.904 37.193 1.00 1.00 N ATOM 880 CA GLY A 58 6.972 6.915 38.171 1.00 1.00 C ATOM 881 C GLY A 58 5.539 6.701 38.644 1.00 1.00 C ATOM 882 O GLY A 58 5.304 6.081 39.682 1.00 1.00 O ATOM 0 H GLY A 58 7.011 6.075 36.248 1.00 1.00 H new ATOM 0 HA2 GLY A 58 7.650 6.876 39.024 1.00 1.00 H new ATOM 0 HA3 GLY A 58 7.069 7.907 37.731 1.00 1.00 H new ATOM 886 N HIS A 59 4.584 7.216 37.878 1.00 1.00 N ATOM 887 CA HIS A 59 3.175 7.075 38.230 1.00 1.00 C ATOM 888 C HIS A 59 2.579 5.839 37.565 1.00 1.00 C ATOM 889 O HIS A 59 1.951 5.011 38.225 1.00 1.00 O ATOM 890 CB HIS A 59 2.400 8.318 37.791 1.00 1.00 C ATOM 891 CG HIS A 59 3.108 9.551 38.281 1.00 1.00 C ATOM 892 ND1 HIS A 59 3.448 10.595 37.435 1.00 1.00 N ATOM 893 CD2 HIS A 59 3.546 9.921 39.529 1.00 1.00 C ATOM 894 CE1 HIS A 59 4.062 11.534 38.176 1.00 1.00 C ATOM 895 NE2 HIS A 59 4.149 11.174 39.460 1.00 1.00 N ATOM 0 H HIS A 59 4.757 7.732 37.015 1.00 1.00 H new ATOM 0 HA HIS A 59 3.099 6.964 39.312 1.00 1.00 H new ATOM 0 HB2 HIS A 59 2.316 8.342 36.705 1.00 1.00 H new ATOM 0 HB3 HIS A 59 1.386 8.286 38.189 1.00 1.00 H new ATOM 0 HD2 HIS A 59 3.439 9.330 40.427 1.00 1.00 H new ATOM 0 HE1 HIS A 59 4.439 12.466 37.781 1.00 1.00 H new ATOM 0 HE2 HIS A 59 4.567 11.703 40.225 1.00 1.00 H new ATOM 903 N HIS A 60 2.783 5.721 36.256 1.00 1.00 N ATOM 904 CA HIS A 60 2.265 4.582 35.507 1.00 1.00 C ATOM 905 C HIS A 60 0.868 4.204 35.990 1.00 1.00 C ATOM 906 O HIS A 60 0.715 3.445 36.947 1.00 1.00 O ATOM 907 CB HIS A 60 3.207 3.389 35.663 1.00 1.00 C ATOM 908 CG HIS A 60 3.345 3.042 37.120 1.00 1.00 C ATOM 909 ND1 HIS A 60 4.203 3.729 37.965 1.00 1.00 N ATOM 910 CD2 HIS A 60 2.743 2.083 37.897 1.00 1.00 C ATOM 911 CE1 HIS A 60 4.094 3.179 39.188 1.00 1.00 C ATOM 912 NE2 HIS A 60 3.217 2.172 39.202 1.00 1.00 N ATOM 0 H HIS A 60 3.301 6.397 35.695 1.00 1.00 H new ATOM 0 HA HIS A 60 2.202 4.861 34.455 1.00 1.00 H new ATOM 0 HB2 HIS A 60 2.821 2.533 35.110 1.00 1.00 H new ATOM 0 HB3 HIS A 60 4.184 3.626 35.241 1.00 1.00 H new ATOM 0 HD2 HIS A 60 2.012 1.368 37.548 1.00 1.00 H new ATOM 0 HE1 HIS A 60 4.648 3.511 40.053 1.00 1.00 H new ATOM 0 HE2 HIS A 60 2.952 1.593 39.998 1.00 1.00 H new ATOM 920 N HIS A 61 -0.149 4.737 35.321 1.00 1.00 N ATOM 921 CA HIS A 61 -1.529 4.448 35.691 1.00 1.00 C ATOM 922 C HIS A 61 -1.892 3.012 35.326 1.00 1.00 C ATOM 923 O HIS A 61 -1.024 2.213 34.977 1.00 1.00 O ATOM 924 CB HIS A 61 -2.476 5.413 34.974 1.00 1.00 C ATOM 925 CG HIS A 61 -2.132 5.458 33.510 1.00 1.00 C ATOM 926 ND1 HIS A 61 -1.102 6.055 32.828 1.00 1.00 N flip ATOM 927 CD2 HIS A 61 -2.906 4.825 32.551 1.00 1.00 C flip ATOM 928 CE1 HIS A 61 -1.232 5.798 31.465 1.00 1.00 C flip ATOM 929 NE2 HIS A 61 -2.335 5.053 31.354 1.00 1.00 N flip ATOM 0 H HIS A 61 -0.045 5.367 34.526 1.00 1.00 H new ATOM 0 HA HIS A 61 -1.630 4.574 36.769 1.00 1.00 H new ATOM 0 HB2 HIS A 61 -3.509 5.091 35.106 1.00 1.00 H new ATOM 0 HB3 HIS A 61 -2.395 6.409 35.408 1.00 1.00 H new ATOM 0 HD2 HIS A 61 -3.804 4.253 32.731 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -0.581 6.130 30.670 1.00 1.00 H new ATOM 0 HE2 HIS A 61 -2.700 4.700 30.469 1.00 1.00 H new ATOM 937 N HIS A 62 -3.180 2.693 35.409 1.00 1.00 N ATOM 938 CA HIS A 62 -3.645 1.349 35.084 1.00 1.00 C ATOM 939 C HIS A 62 -3.016 0.865 33.781 1.00 1.00 C ATOM 940 O HIS A 62 -3.142 1.512 32.742 1.00 1.00 O ATOM 941 CB HIS A 62 -5.170 1.343 34.951 1.00 1.00 C ATOM 942 CG HIS A 62 -5.775 2.143 36.072 1.00 1.00 C ATOM 943 ND1 HIS A 62 -5.729 1.720 37.391 1.00 1.00 N ATOM 944 CD2 HIS A 62 -6.444 3.342 36.085 1.00 1.00 C ATOM 945 CE1 HIS A 62 -6.352 2.650 38.136 1.00 1.00 C ATOM 946 NE2 HIS A 62 -6.807 3.660 37.391 1.00 1.00 N ATOM 0 H HIS A 62 -3.914 3.340 35.696 1.00 1.00 H new ATOM 0 HA HIS A 62 -3.348 0.677 35.889 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -5.463 1.765 33.990 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -5.544 0.319 34.978 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -6.656 3.946 35.215 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -6.470 2.587 39.208 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -7.312 4.487 37.710 1.00 1.00 H new ATOM 954 N HIS A 63 -2.341 -0.278 33.847 1.00 1.00 N ATOM 955 CA HIS A 63 -1.697 -0.840 32.665 1.00 1.00 C ATOM 956 C HIS A 63 -2.716 -1.066 31.555 1.00 1.00 C ATOM 957 O HIS A 63 -3.877 -0.672 31.675 1.00 1.00 O ATOM 958 CB HIS A 63 -1.022 -2.167 33.020 1.00 1.00 C ATOM 959 CG HIS A 63 -0.344 -2.044 34.357 1.00 1.00 C ATOM 960 ND1 HIS A 63 -0.968 -2.414 35.538 1.00 1.00 N ATOM 961 CD2 HIS A 63 0.902 -1.595 34.716 1.00 1.00 C ATOM 962 CE1 HIS A 63 -0.104 -2.183 36.543 1.00 1.00 C ATOM 963 NE2 HIS A 63 1.051 -1.683 36.097 1.00 1.00 N ATOM 0 H HIS A 63 -2.226 -0.829 34.698 1.00 1.00 H new ATOM 0 HA HIS A 63 -0.946 -0.133 32.313 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -1.762 -2.967 33.048 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -0.293 -2.433 32.254 1.00 1.00 H new ATOM 0 HD2 HIS A 63 1.653 -1.229 34.031 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -0.318 -2.378 37.583 1.00 1.00 H new ATOM 0 HE2 HIS A 63 1.867 -1.422 36.650 1.00 1.00 H new ATOM 971 N HIS A 64 -2.277 -1.703 30.474 1.00 1.00 N ATOM 972 CA HIS A 64 -3.161 -1.976 29.347 1.00 1.00 C ATOM 973 C HIS A 64 -3.863 -0.700 28.895 1.00 1.00 C ATOM 974 O HIS A 64 -4.971 -0.465 29.347 1.00 1.00 O ATOM 975 CB HIS A 64 -4.205 -3.022 29.744 1.00 1.00 C ATOM 976 CG HIS A 64 -3.521 -4.188 30.404 1.00 1.00 C ATOM 977 ND1 HIS A 64 -3.948 -4.705 31.617 1.00 1.00 N ATOM 978 CD2 HIS A 64 -2.440 -4.948 30.032 1.00 1.00 C ATOM 979 CE1 HIS A 64 -3.135 -5.731 31.929 1.00 1.00 C ATOM 980 NE2 HIS A 64 -2.198 -5.922 30.996 1.00 1.00 N ATOM 981 OXT HIS A 64 -3.281 0.024 28.103 1.00 1.00 O ATOM 0 H HIS A 64 -1.321 -2.038 30.355 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.560 -2.358 28.522 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -4.935 -2.583 30.424 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -4.752 -3.358 28.863 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -1.865 -4.811 29.128 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -3.229 -6.327 32.825 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -1.463 -6.630 30.991 1.00 1.00 H new TER 989 HIS A 64