USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= -0.499 X(o=-1.3,f=-1.1) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.787 K(o=-1.3,f=-4.7!) USER MOD Set 2.1: A 9 THR OG1 : rot 127:sc= 0.536 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0.0549 K(o=0.59,f=-0.031) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.818 (180deg=-0.818) USER MOD Single : A 16 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.758 K(o=-0.76,f=-6.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -130:sc= -1.02 (180deg=-5.37!) USER MOD Single : A 40 THR OG1 : rot 101:sc= 0.574 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 43 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.7) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -1.54! X(o=-1.5!,f=-1.2) USER MOD Single : A 55 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.018) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -123:sc= 0.588 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.015 15.272 -28.524 1.00 0.00 N ATOM 2 CA GLY A 1 -5.307 14.244 -29.335 1.00 0.00 C ATOM 3 C GLY A 1 -3.844 14.116 -28.962 1.00 0.00 C ATOM 4 O GLY A 1 -2.979 14.722 -29.596 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.011 15.320 -28.818 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.963 15.016 -27.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.566 16.199 -28.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.798 13.280 -29.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.388 14.500 -30.391 1.00 0.00 H new ATOM 10 N SER A 2 -3.565 13.329 -27.928 1.00 0.00 N ATOM 11 CA SER A 2 -2.196 13.124 -27.469 1.00 0.00 C ATOM 12 C SER A 2 -1.854 11.638 -27.416 1.00 0.00 C ATOM 13 O SER A 2 -0.767 11.227 -27.822 1.00 0.00 O ATOM 14 CB SER A 2 -1.999 13.754 -26.089 1.00 0.00 C ATOM 15 OG SER A 2 -3.039 13.376 -25.203 1.00 0.00 O ATOM 0 H SER A 2 -4.269 12.822 -27.392 1.00 0.00 H new ATOM 0 HA SER A 2 -1.526 13.606 -28.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.037 13.446 -25.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.973 14.840 -26.182 1.00 0.00 H new ATOM 0 HG SER A 2 -2.889 13.790 -24.327 1.00 0.00 H new ATOM 21 N SER A 3 -2.788 10.837 -26.913 1.00 0.00 N ATOM 22 CA SER A 3 -2.585 9.397 -26.807 1.00 0.00 C ATOM 23 C SER A 3 -1.432 9.078 -25.860 1.00 0.00 C ATOM 24 O SER A 3 -0.264 9.151 -26.242 1.00 0.00 O ATOM 25 CB SER A 3 -2.309 8.794 -28.186 1.00 0.00 C ATOM 26 OG SER A 3 -2.643 7.417 -28.217 1.00 0.00 O ATOM 0 H SER A 3 -3.693 11.161 -26.572 1.00 0.00 H new ATOM 0 HA SER A 3 -3.497 8.957 -26.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.885 9.328 -28.942 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.256 8.922 -28.438 1.00 0.00 H new ATOM 0 HG SER A 3 -2.459 7.056 -29.109 1.00 0.00 H new ATOM 32 N GLY A 4 -1.768 8.724 -24.624 1.00 0.00 N ATOM 33 CA GLY A 4 -0.750 8.398 -23.642 1.00 0.00 C ATOM 34 C GLY A 4 -0.563 9.498 -22.615 1.00 0.00 C ATOM 35 O GLY A 4 -1.037 10.618 -22.802 1.00 0.00 O ATOM 0 H GLY A 4 -2.728 8.657 -24.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.022 7.473 -23.134 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.196 8.215 -24.151 1.00 0.00 H new ATOM 39 N SER A 5 0.131 9.178 -21.527 1.00 0.00 N ATOM 40 CA SER A 5 0.379 10.147 -20.466 1.00 0.00 C ATOM 41 C SER A 5 1.301 11.260 -20.953 1.00 0.00 C ATOM 42 O SER A 5 2.041 11.088 -21.922 1.00 0.00 O ATOM 43 CB SER A 5 0.994 9.456 -19.248 1.00 0.00 C ATOM 44 OG SER A 5 1.226 10.381 -18.199 1.00 0.00 O ATOM 0 H SER A 5 0.531 8.255 -21.357 1.00 0.00 H new ATOM 0 HA SER A 5 -0.576 10.588 -20.180 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.329 8.666 -18.900 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.933 8.980 -19.532 1.00 0.00 H new ATOM 0 HG SER A 5 1.618 9.914 -17.432 1.00 0.00 H new ATOM 50 N SER A 6 1.252 12.402 -20.275 1.00 0.00 N ATOM 51 CA SER A 6 2.083 13.543 -20.639 1.00 0.00 C ATOM 52 C SER A 6 3.204 13.745 -19.624 1.00 0.00 C ATOM 53 O SER A 6 4.381 13.782 -19.984 1.00 0.00 O ATOM 54 CB SER A 6 1.233 14.811 -20.734 1.00 0.00 C ATOM 55 OG SER A 6 2.048 15.970 -20.769 1.00 0.00 O ATOM 0 H SER A 6 0.645 12.562 -19.471 1.00 0.00 H new ATOM 0 HA SER A 6 2.529 13.339 -21.612 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.614 14.771 -21.630 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.557 14.864 -19.881 1.00 0.00 H new ATOM 0 HG SER A 6 1.481 16.767 -20.831 1.00 0.00 H new ATOM 61 N GLY A 7 2.830 13.876 -18.356 1.00 0.00 N ATOM 62 CA GLY A 7 3.816 14.073 -17.309 1.00 0.00 C ATOM 63 C GLY A 7 3.319 13.619 -15.952 1.00 0.00 C ATOM 64 O GLY A 7 3.019 12.441 -15.754 1.00 0.00 O ATOM 0 H GLY A 7 1.862 13.849 -18.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.724 13.526 -17.562 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.083 15.129 -17.260 1.00 0.00 H new ATOM 68 N VAL A 8 3.231 14.554 -15.012 1.00 0.00 N ATOM 69 CA VAL A 8 2.768 14.245 -13.666 1.00 0.00 C ATOM 70 C VAL A 8 1.282 14.553 -13.512 1.00 0.00 C ATOM 71 O VAL A 8 0.775 15.518 -14.085 1.00 0.00 O ATOM 72 CB VAL A 8 3.557 15.033 -12.603 1.00 0.00 C ATOM 73 CG1 VAL A 8 3.168 14.583 -11.204 1.00 0.00 C ATOM 74 CG2 VAL A 8 5.055 14.879 -12.824 1.00 0.00 C ATOM 0 H VAL A 8 3.475 15.533 -15.159 1.00 0.00 H new ATOM 0 HA VAL A 8 2.934 13.179 -13.513 1.00 0.00 H new ATOM 0 HB VAL A 8 3.306 16.089 -12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.736 15.151 -10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.102 14.753 -11.050 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.386 13.521 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.595 15.443 -12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.326 13.826 -12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.318 15.258 -13.811 1.00 0.00 H new ATOM 84 N THR A 9 0.589 13.726 -12.737 1.00 0.00 N ATOM 85 CA THR A 9 -0.839 13.910 -12.507 1.00 0.00 C ATOM 86 C THR A 9 -1.232 13.431 -11.112 1.00 0.00 C ATOM 87 O THR A 9 -1.760 12.332 -10.950 1.00 0.00 O ATOM 88 CB THR A 9 -1.648 13.158 -13.564 1.00 0.00 C ATOM 89 OG1 THR A 9 -0.986 11.966 -13.950 1.00 0.00 O ATOM 90 CG2 THR A 9 -1.898 13.969 -14.817 1.00 0.00 C ATOM 0 H THR A 9 0.993 12.922 -12.257 1.00 0.00 H new ATOM 0 HA THR A 9 -1.059 14.975 -12.581 1.00 0.00 H new ATOM 0 HB THR A 9 -2.607 12.943 -13.092 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.597 11.206 -13.853 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.477 13.376 -15.525 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.452 14.872 -14.561 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.945 14.244 -15.269 1.00 0.00 H new ATOM 98 N TYR A 10 -0.971 14.264 -10.111 1.00 0.00 N ATOM 99 CA TYR A 10 -1.298 13.925 -8.731 1.00 0.00 C ATOM 100 C TYR A 10 -2.365 14.865 -8.177 1.00 0.00 C ATOM 101 O TYR A 10 -2.392 15.156 -6.982 1.00 0.00 O ATOM 102 CB TYR A 10 -0.043 13.983 -7.857 1.00 0.00 C ATOM 103 CG TYR A 10 0.316 12.657 -7.226 1.00 0.00 C ATOM 104 CD1 TYR A 10 -0.421 12.152 -6.161 1.00 0.00 C ATOM 105 CD2 TYR A 10 1.389 11.910 -7.694 1.00 0.00 C ATOM 106 CE1 TYR A 10 -0.098 10.941 -5.581 1.00 0.00 C ATOM 107 CE2 TYR A 10 1.718 10.697 -7.119 1.00 0.00 C ATOM 108 CZ TYR A 10 0.972 10.217 -6.063 1.00 0.00 C ATOM 109 OH TYR A 10 1.297 9.010 -5.488 1.00 0.00 O ATOM 0 H TYR A 10 -0.534 15.178 -10.229 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.693 12.909 -8.717 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.796 14.327 -8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.192 14.722 -7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.260 12.716 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.976 12.283 -8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.681 10.563 -4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.555 10.128 -7.495 1.00 0.00 H new ATOM 0 HH TYR A 10 2.075 8.628 -5.946 1.00 0.00 H new ATOM 119 N ASP A 11 -3.245 15.336 -9.056 1.00 0.00 N ATOM 120 CA ASP A 11 -4.316 16.242 -8.656 1.00 0.00 C ATOM 121 C ASP A 11 -5.669 15.728 -9.136 1.00 0.00 C ATOM 122 O ASP A 11 -6.570 16.510 -9.437 1.00 0.00 O ATOM 123 CB ASP A 11 -4.063 17.644 -9.213 1.00 0.00 C ATOM 124 CG ASP A 11 -3.268 18.511 -8.256 1.00 0.00 C ATOM 125 OD1 ASP A 11 -2.364 17.975 -7.580 1.00 0.00 O ATOM 126 OD2 ASP A 11 -3.547 19.725 -8.185 1.00 0.00 O ATOM 0 H ASP A 11 -3.237 15.105 -10.049 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.330 16.290 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.527 17.565 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.018 18.125 -9.427 1.00 0.00 H new ATOM 131 N ASP A 12 -5.804 14.406 -9.205 1.00 0.00 N ATOM 132 CA ASP A 12 -7.047 13.788 -9.649 1.00 0.00 C ATOM 133 C ASP A 12 -7.157 12.354 -9.137 1.00 0.00 C ATOM 134 O ASP A 12 -7.630 11.467 -9.847 1.00 0.00 O ATOM 135 CB ASP A 12 -7.133 13.805 -11.177 1.00 0.00 C ATOM 136 CG ASP A 12 -7.754 15.082 -11.706 1.00 0.00 C ATOM 137 OD1 ASP A 12 -8.909 15.380 -11.332 1.00 0.00 O ATOM 138 OD2 ASP A 12 -7.086 15.785 -12.493 1.00 0.00 O ATOM 0 H ASP A 12 -5.068 13.744 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.876 14.365 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.133 13.690 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.721 12.951 -11.515 1.00 0.00 H new ATOM 143 N VAL A 13 -6.718 12.139 -7.897 1.00 0.00 N ATOM 144 CA VAL A 13 -6.761 10.815 -7.271 1.00 0.00 C ATOM 145 C VAL A 13 -6.369 9.711 -8.251 1.00 0.00 C ATOM 146 O VAL A 13 -7.228 9.084 -8.871 1.00 0.00 O ATOM 147 CB VAL A 13 -8.155 10.504 -6.691 1.00 0.00 C ATOM 148 CG1 VAL A 13 -8.371 11.260 -5.388 1.00 0.00 C ATOM 149 CG2 VAL A 13 -9.249 10.839 -7.694 1.00 0.00 C ATOM 0 H VAL A 13 -6.326 12.869 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.035 10.840 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.205 9.435 -6.482 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.360 11.029 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.612 10.962 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.296 12.332 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.223 10.610 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.202 11.899 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.107 10.248 -8.599 1.00 0.00 H new ATOM 159 N HIS A 14 -5.068 9.478 -8.384 1.00 0.00 N ATOM 160 CA HIS A 14 -4.565 8.450 -9.286 1.00 0.00 C ATOM 161 C HIS A 14 -4.329 7.140 -8.541 1.00 0.00 C ATOM 162 O HIS A 14 -3.393 7.022 -7.752 1.00 0.00 O ATOM 163 CB HIS A 14 -3.266 8.915 -9.949 1.00 0.00 C ATOM 164 CG HIS A 14 -3.476 9.561 -11.283 1.00 0.00 C ATOM 165 ND1 HIS A 14 -4.377 10.584 -11.491 1.00 0.00 N ATOM 166 CD2 HIS A 14 -2.895 9.324 -12.484 1.00 0.00 C ATOM 167 CE1 HIS A 14 -4.344 10.947 -12.760 1.00 0.00 C ATOM 168 NE2 HIS A 14 -3.451 10.199 -13.384 1.00 0.00 N ATOM 0 H HIS A 14 -4.343 9.987 -7.879 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.317 8.278 -10.056 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.762 9.620 -9.288 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.602 8.059 -10.069 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.136 8.585 -12.694 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.945 11.723 -13.211 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.213 10.262 -14.374 1.00 0.00 H new ATOM 176 N MET A 15 -5.187 6.157 -8.799 1.00 0.00 N ATOM 177 CA MET A 15 -5.075 4.854 -8.153 1.00 0.00 C ATOM 178 C MET A 15 -5.280 4.977 -6.646 1.00 0.00 C ATOM 179 O MET A 15 -4.705 4.216 -5.866 1.00 0.00 O ATOM 180 CB MET A 15 -3.710 4.228 -8.452 1.00 0.00 C ATOM 181 CG MET A 15 -3.760 3.133 -9.506 1.00 0.00 C ATOM 182 SD MET A 15 -2.245 2.158 -9.567 1.00 0.00 S ATOM 183 CE MET A 15 -2.910 0.512 -9.810 1.00 0.00 C ATOM 0 H MET A 15 -5.967 6.239 -9.451 1.00 0.00 H new ATOM 0 HA MET A 15 -5.855 4.206 -8.554 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.026 5.009 -8.784 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.299 3.815 -7.531 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.603 2.474 -9.300 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.938 3.582 -10.483 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.092 -0.206 -9.868 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.560 0.255 -8.974 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.483 0.484 -10.737 1.00 0.00 H new ATOM 193 N ASN A 16 -6.102 5.939 -6.242 1.00 0.00 N ATOM 194 CA ASN A 16 -6.384 6.163 -4.828 1.00 0.00 C ATOM 195 C ASN A 16 -7.859 5.920 -4.524 1.00 0.00 C ATOM 196 O ASN A 16 -8.643 6.862 -4.412 1.00 0.00 O ATOM 197 CB ASN A 16 -5.995 7.588 -4.428 1.00 0.00 C ATOM 198 CG ASN A 16 -4.640 7.647 -3.751 1.00 0.00 C ATOM 199 OD1 ASN A 16 -3.880 6.680 -3.771 1.00 0.00 O ATOM 200 ND2 ASN A 16 -4.330 8.789 -3.148 1.00 0.00 N ATOM 0 H ASN A 16 -6.585 6.577 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.791 5.457 -4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.983 8.221 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.752 7.994 -3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.431 8.889 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.991 9.566 -3.156 1.00 0.00 H new ATOM 207 N PHE A 17 -8.230 4.651 -4.391 1.00 0.00 N ATOM 208 CA PHE A 17 -9.611 4.284 -4.099 1.00 0.00 C ATOM 209 C PHE A 17 -9.861 4.269 -2.595 1.00 0.00 C ATOM 210 O PHE A 17 -9.081 3.701 -1.831 1.00 0.00 O ATOM 211 CB PHE A 17 -9.934 2.913 -4.696 1.00 0.00 C ATOM 212 CG PHE A 17 -9.700 2.833 -6.178 1.00 0.00 C ATOM 213 CD1 PHE A 17 -8.425 2.638 -6.682 1.00 0.00 C ATOM 214 CD2 PHE A 17 -10.757 2.953 -7.067 1.00 0.00 C ATOM 215 CE1 PHE A 17 -8.207 2.564 -8.045 1.00 0.00 C ATOM 216 CE2 PHE A 17 -10.545 2.879 -8.430 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.268 2.685 -8.920 1.00 0.00 C ATOM 0 H PHE A 17 -7.593 3.859 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.264 5.031 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.326 2.157 -4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.976 2.671 -4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.591 2.543 -6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.757 3.106 -6.690 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.208 2.412 -8.425 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.377 2.973 -9.112 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.100 2.628 -9.985 1.00 0.00 H new ATOM 227 N THR A 18 -10.955 4.897 -2.177 1.00 0.00 N ATOM 228 CA THR A 18 -11.309 4.957 -0.763 1.00 0.00 C ATOM 229 C THR A 18 -11.985 3.665 -0.317 1.00 0.00 C ATOM 230 O THR A 18 -12.152 2.735 -1.106 1.00 0.00 O ATOM 231 CB THR A 18 -12.233 6.147 -0.497 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.090 6.373 -1.603 1.00 0.00 O ATOM 233 CG2 THR A 18 -11.487 7.434 -0.223 1.00 0.00 C ATOM 0 H THR A 18 -11.612 5.371 -2.797 1.00 0.00 H new ATOM 0 HA THR A 18 -10.391 5.083 -0.189 1.00 0.00 H new ATOM 0 HB THR A 18 -12.801 5.879 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.674 7.137 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.201 8.237 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.854 7.308 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.867 7.686 -1.084 1.00 0.00 H new ATOM 241 N GLU A 19 -12.374 3.614 0.953 1.00 0.00 N ATOM 242 CA GLU A 19 -13.033 2.435 1.504 1.00 0.00 C ATOM 243 C GLU A 19 -14.342 2.155 0.773 1.00 0.00 C ATOM 244 O GLU A 19 -14.688 1.002 0.518 1.00 0.00 O ATOM 245 CB GLU A 19 -13.300 2.624 2.998 1.00 0.00 C ATOM 246 CG GLU A 19 -13.169 1.344 3.807 1.00 0.00 C ATOM 247 CD GLU A 19 -14.248 1.211 4.865 1.00 0.00 C ATOM 248 OE1 GLU A 19 -14.646 2.245 5.441 1.00 0.00 O ATOM 249 OE2 GLU A 19 -14.693 0.071 5.116 1.00 0.00 O ATOM 0 H GLU A 19 -12.244 4.375 1.620 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.370 1.581 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.605 3.365 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.304 3.027 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.216 0.487 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.190 1.320 4.286 1.00 0.00 H new ATOM 256 N GLU A 20 -15.066 3.219 0.438 1.00 0.00 N ATOM 257 CA GLU A 20 -16.337 3.088 -0.265 1.00 0.00 C ATOM 258 C GLU A 20 -16.122 2.573 -1.685 1.00 0.00 C ATOM 259 O GLU A 20 -16.772 1.623 -2.116 1.00 0.00 O ATOM 260 CB GLU A 20 -17.063 4.433 -0.303 1.00 0.00 C ATOM 261 CG GLU A 20 -17.171 5.106 1.057 1.00 0.00 C ATOM 262 CD GLU A 20 -18.463 4.763 1.774 1.00 0.00 C ATOM 263 OE1 GLU A 20 -19.538 5.181 1.293 1.00 0.00 O ATOM 264 OE2 GLU A 20 -18.400 4.077 2.816 1.00 0.00 O ATOM 0 H GLU A 20 -14.794 4.181 0.642 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.950 2.367 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.539 5.100 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.065 4.284 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.325 4.806 1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -17.105 6.187 0.930 1.00 0.00 H new ATOM 271 N GLU A 21 -15.203 3.210 -2.405 1.00 0.00 N ATOM 272 CA GLU A 21 -14.900 2.816 -3.777 1.00 0.00 C ATOM 273 C GLU A 21 -14.278 1.424 -3.822 1.00 0.00 C ATOM 274 O GLU A 21 -14.430 0.698 -4.803 1.00 0.00 O ATOM 275 CB GLU A 21 -13.957 3.832 -4.424 1.00 0.00 C ATOM 276 CG GLU A 21 -14.679 4.940 -5.174 1.00 0.00 C ATOM 277 CD GLU A 21 -13.767 5.691 -6.124 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.133 6.673 -5.687 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.688 5.296 -7.306 1.00 0.00 O ATOM 0 H GLU A 21 -14.656 4.000 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.836 2.791 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.330 4.277 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.293 3.311 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.510 4.512 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.107 5.641 -4.457 1.00 0.00 H new ATOM 286 N TRP A 22 -13.576 1.059 -2.752 1.00 0.00 N ATOM 287 CA TRP A 22 -12.931 -0.247 -2.671 1.00 0.00 C ATOM 288 C TRP A 22 -13.949 -1.372 -2.835 1.00 0.00 C ATOM 289 O TRP A 22 -13.619 -2.456 -3.316 1.00 0.00 O ATOM 290 CB TRP A 22 -12.199 -0.397 -1.337 1.00 0.00 C ATOM 291 CG TRP A 22 -11.301 -1.594 -1.283 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.474 -2.716 -0.524 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.088 -1.789 -2.019 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.442 -3.597 -0.744 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.579 -3.051 -1.658 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.383 -1.020 -2.950 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.398 -3.559 -2.194 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.212 -1.526 -3.481 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.730 -2.786 -3.102 1.00 0.00 C ATOM 0 H TRP A 22 -13.440 1.649 -1.931 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.208 -0.316 -3.484 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.608 0.500 -1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.933 -0.466 -0.534 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.300 -2.886 0.150 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.336 -4.509 -0.299 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.747 -0.048 -3.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.023 -4.529 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.659 -0.940 -4.200 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.812 -3.154 -3.536 1.00 0.00 H new ATOM 310 N ASP A 23 -15.187 -1.107 -2.431 1.00 0.00 N ATOM 311 CA ASP A 23 -16.253 -2.097 -2.532 1.00 0.00 C ATOM 312 C ASP A 23 -16.794 -2.171 -3.958 1.00 0.00 C ATOM 313 O ASP A 23 -17.308 -3.206 -4.384 1.00 0.00 O ATOM 314 CB ASP A 23 -17.384 -1.758 -1.558 1.00 0.00 C ATOM 315 CG ASP A 23 -17.535 -2.797 -0.463 1.00 0.00 C ATOM 316 OD1 ASP A 23 -18.117 -3.868 -0.736 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.069 -2.540 0.668 1.00 0.00 O ATOM 0 H ASP A 23 -15.477 -0.215 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.839 -3.071 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.192 -0.784 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.321 -1.675 -2.108 1.00 0.00 H new ATOM 322 N LEU A 24 -16.677 -1.067 -4.690 1.00 0.00 N ATOM 323 CA LEU A 24 -17.155 -1.010 -6.067 1.00 0.00 C ATOM 324 C LEU A 24 -16.029 -1.305 -7.055 1.00 0.00 C ATOM 325 O LEU A 24 -16.117 -0.955 -8.232 1.00 0.00 O ATOM 326 CB LEU A 24 -17.755 0.366 -6.362 1.00 0.00 C ATOM 327 CG LEU A 24 -18.589 0.966 -5.228 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.547 2.486 -5.281 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.023 0.467 -5.300 1.00 0.00 C ATOM 0 H LEU A 24 -16.256 -0.201 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.924 -1.773 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.945 1.055 -6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.381 0.290 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.161 0.645 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.146 2.895 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.516 2.825 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.949 2.828 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.602 0.904 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.462 0.758 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.035 -0.619 -5.211 1.00 0.00 H new ATOM 341 N LEU A 25 -14.970 -1.949 -6.572 1.00 0.00 N ATOM 342 CA LEU A 25 -13.831 -2.286 -7.417 1.00 0.00 C ATOM 343 C LEU A 25 -13.935 -3.722 -7.924 1.00 0.00 C ATOM 344 O LEU A 25 -14.792 -4.487 -7.484 1.00 0.00 O ATOM 345 CB LEU A 25 -12.524 -2.099 -6.645 1.00 0.00 C ATOM 346 CG LEU A 25 -11.982 -0.668 -6.632 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.654 -0.607 -5.893 1.00 0.00 C ATOM 348 CD2 LEU A 25 -11.832 -0.141 -8.053 1.00 0.00 C ATOM 0 H LEU A 25 -14.878 -2.247 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.837 -1.615 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.678 -2.423 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.767 -2.755 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.695 -0.034 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.284 0.418 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.794 -0.941 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.931 -1.254 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.445 0.878 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.140 -0.776 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.803 -0.147 -8.548 1.00 0.00 H new ATOM 360 N ASP A 26 -13.054 -4.079 -8.854 1.00 0.00 N ATOM 361 CA ASP A 26 -13.045 -5.421 -9.424 1.00 0.00 C ATOM 362 C ASP A 26 -11.802 -6.189 -8.988 1.00 0.00 C ATOM 363 O ASP A 26 -10.998 -5.693 -8.198 1.00 0.00 O ATOM 364 CB ASP A 26 -13.102 -5.347 -10.951 1.00 0.00 C ATOM 365 CG ASP A 26 -14.389 -4.722 -11.452 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.470 -5.283 -11.174 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.316 -3.672 -12.124 1.00 0.00 O ATOM 0 H ASP A 26 -12.337 -3.457 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.924 -5.951 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.254 -4.768 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.004 -6.351 -11.365 1.00 0.00 H new ATOM 372 N SER A 27 -11.651 -7.403 -9.508 1.00 0.00 N ATOM 373 CA SER A 27 -10.506 -8.242 -9.174 1.00 0.00 C ATOM 374 C SER A 27 -9.206 -7.646 -9.711 1.00 0.00 C ATOM 375 O SER A 27 -8.116 -8.036 -9.292 1.00 0.00 O ATOM 376 CB SER A 27 -10.701 -9.652 -9.734 1.00 0.00 C ATOM 377 OG SER A 27 -11.637 -10.384 -8.961 1.00 0.00 O ATOM 0 H SER A 27 -12.308 -7.828 -10.163 1.00 0.00 H new ATOM 0 HA SER A 27 -10.435 -8.292 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.045 -9.592 -10.766 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.746 -10.177 -9.747 1.00 0.00 H new ATOM 0 HG SER A 27 -11.745 -11.281 -9.341 1.00 0.00 H new ATOM 383 N SER A 28 -9.324 -6.700 -10.641 1.00 0.00 N ATOM 384 CA SER A 28 -8.153 -6.060 -11.227 1.00 0.00 C ATOM 385 C SER A 28 -7.744 -4.833 -10.420 1.00 0.00 C ATOM 386 O SER A 28 -6.558 -4.562 -10.241 1.00 0.00 O ATOM 387 CB SER A 28 -8.436 -5.660 -12.677 1.00 0.00 C ATOM 388 OG SER A 28 -9.006 -6.737 -13.401 1.00 0.00 O ATOM 0 H SER A 28 -10.216 -6.362 -11.002 1.00 0.00 H new ATOM 0 HA SER A 28 -7.331 -6.776 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.113 -4.806 -12.696 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.510 -5.344 -13.158 1.00 0.00 H new ATOM 0 HG SER A 28 -9.179 -6.456 -14.324 1.00 0.00 H new ATOM 394 N GLN A 29 -8.737 -4.095 -9.934 1.00 0.00 N ATOM 395 CA GLN A 29 -8.482 -2.897 -9.144 1.00 0.00 C ATOM 396 C GLN A 29 -8.078 -3.258 -7.719 1.00 0.00 C ATOM 397 O GLN A 29 -7.307 -2.541 -7.081 1.00 0.00 O ATOM 398 CB GLN A 29 -9.723 -2.002 -9.124 1.00 0.00 C ATOM 399 CG GLN A 29 -10.117 -1.479 -10.496 1.00 0.00 C ATOM 400 CD GLN A 29 -11.289 -2.232 -11.094 1.00 0.00 C ATOM 401 OE1 GLN A 29 -12.387 -2.241 -10.539 1.00 0.00 O ATOM 402 NE2 GLN A 29 -11.060 -2.868 -12.237 1.00 0.00 N ATOM 0 H GLN A 29 -9.725 -4.306 -10.074 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.658 -2.355 -9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.558 -2.562 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.541 -1.157 -8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.371 -0.422 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.262 -1.553 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.134 -2.834 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.810 -3.390 -12.689 1.00 0.00 H new ATOM 411 N LYS A 30 -8.604 -4.373 -7.225 1.00 0.00 N ATOM 412 CA LYS A 30 -8.299 -4.830 -5.875 1.00 0.00 C ATOM 413 C LYS A 30 -6.894 -5.422 -5.803 1.00 0.00 C ATOM 414 O LYS A 30 -6.240 -5.369 -4.761 1.00 0.00 O ATOM 415 CB LYS A 30 -9.329 -5.868 -5.423 1.00 0.00 C ATOM 416 CG LYS A 30 -10.416 -5.298 -4.527 1.00 0.00 C ATOM 417 CD LYS A 30 -11.382 -6.378 -4.068 1.00 0.00 C ATOM 418 CE LYS A 30 -12.512 -5.795 -3.236 1.00 0.00 C ATOM 419 NZ LYS A 30 -13.510 -6.831 -2.851 1.00 0.00 N ATOM 0 H LYS A 30 -9.244 -4.977 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.343 -3.969 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.792 -6.314 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.815 -6.669 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.961 -4.822 -3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.963 -4.523 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.795 -6.891 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.845 -7.124 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.101 -5.335 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.008 -5.005 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.264 -6.393 -2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.921 -7.253 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.043 -7.572 -2.291 1.00 0.00 H new ATOM 433 N ARG A 31 -6.436 -5.986 -6.915 1.00 0.00 N ATOM 434 CA ARG A 31 -5.109 -6.588 -6.977 1.00 0.00 C ATOM 435 C ARG A 31 -4.060 -5.557 -7.380 1.00 0.00 C ATOM 436 O ARG A 31 -2.955 -5.536 -6.838 1.00 0.00 O ATOM 437 CB ARG A 31 -5.100 -7.754 -7.967 1.00 0.00 C ATOM 438 CG ARG A 31 -3.805 -8.555 -7.950 1.00 0.00 C ATOM 439 CD ARG A 31 -3.171 -8.631 -9.332 1.00 0.00 C ATOM 440 NE ARG A 31 -3.232 -9.981 -9.889 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.480 -10.992 -9.462 1.00 0.00 C ATOM 442 NH1 ARG A 31 -1.612 -10.813 -8.475 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.597 -12.188 -10.024 1.00 0.00 N ATOM 0 H ARG A 31 -6.964 -6.039 -7.786 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.862 -6.961 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.933 -8.420 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.266 -7.368 -8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.103 -8.097 -7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.005 -9.563 -7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.680 -7.939 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.131 -8.310 -9.272 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.889 -10.158 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.518 -9.896 -8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.039 -11.592 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.263 -12.332 -10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.021 -12.964 -9.697 1.00 0.00 H new ATOM 457 N LEU A 32 -4.413 -4.703 -8.336 1.00 0.00 N ATOM 458 CA LEU A 32 -3.500 -3.670 -8.812 1.00 0.00 C ATOM 459 C LEU A 32 -3.179 -2.677 -7.702 1.00 0.00 C ATOM 460 O LEU A 32 -2.037 -2.238 -7.558 1.00 0.00 O ATOM 461 CB LEU A 32 -4.107 -2.940 -10.010 1.00 0.00 C ATOM 462 CG LEU A 32 -3.876 -3.616 -11.361 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.032 -3.329 -12.308 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.559 -3.154 -11.968 1.00 0.00 C ATOM 0 H LEU A 32 -5.324 -4.706 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.572 -4.151 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.180 -2.839 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.695 -1.932 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.824 -4.693 -11.203 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.849 -3.819 -13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.958 -3.709 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.118 -2.253 -12.462 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.410 -3.645 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.584 -2.074 -12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.739 -3.412 -11.298 1.00 0.00 H new ATOM 476 N TYR A 33 -4.192 -2.327 -6.921 1.00 0.00 N ATOM 477 CA TYR A 33 -4.020 -1.387 -5.819 1.00 0.00 C ATOM 478 C TYR A 33 -3.111 -1.971 -4.744 1.00 0.00 C ATOM 479 O TYR A 33 -2.451 -1.237 -4.009 1.00 0.00 O ATOM 480 CB TYR A 33 -5.378 -1.025 -5.214 1.00 0.00 C ATOM 481 CG TYR A 33 -5.310 0.101 -4.207 1.00 0.00 C ATOM 482 CD1 TYR A 33 -5.008 -0.150 -2.874 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.548 1.415 -4.589 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.946 0.876 -1.951 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.487 2.447 -3.672 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.185 2.173 -2.354 1.00 0.00 C ATOM 487 OH TYR A 33 -5.123 3.198 -1.438 1.00 0.00 O ATOM 0 H TYR A 33 -5.143 -2.680 -7.029 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.553 -0.484 -6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.061 -0.744 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.799 -1.908 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.819 -1.164 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.785 1.634 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.711 0.663 -0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.675 3.463 -3.986 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.316 4.048 -1.885 1.00 0.00 H new ATOM 497 N GLU A 34 -3.082 -3.297 -4.657 1.00 0.00 N ATOM 498 CA GLU A 34 -2.253 -3.980 -3.672 1.00 0.00 C ATOM 499 C GLU A 34 -0.823 -4.138 -4.181 1.00 0.00 C ATOM 500 O GLU A 34 0.128 -4.145 -3.399 1.00 0.00 O ATOM 501 CB GLU A 34 -2.846 -5.352 -3.339 1.00 0.00 C ATOM 502 CG GLU A 34 -3.589 -5.388 -2.014 1.00 0.00 C ATOM 503 CD GLU A 34 -3.292 -6.639 -1.212 1.00 0.00 C ATOM 504 OE1 GLU A 34 -2.175 -7.180 -1.349 1.00 0.00 O ATOM 505 OE2 GLU A 34 -4.177 -7.079 -0.448 1.00 0.00 O ATOM 0 H GLU A 34 -3.623 -3.919 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.231 -3.373 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.528 -5.647 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.044 -6.090 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.318 -4.511 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.661 -5.327 -2.201 1.00 0.00 H new ATOM 512 N GLU A 35 -0.679 -4.262 -5.496 1.00 0.00 N ATOM 513 CA GLU A 35 0.635 -4.419 -6.110 1.00 0.00 C ATOM 514 C GLU A 35 1.532 -3.229 -5.787 1.00 0.00 C ATOM 515 O GLU A 35 2.651 -3.396 -5.300 1.00 0.00 O ATOM 516 CB GLU A 35 0.497 -4.571 -7.626 1.00 0.00 C ATOM 517 CG GLU A 35 0.151 -5.984 -8.067 1.00 0.00 C ATOM 518 CD GLU A 35 1.342 -6.722 -8.646 1.00 0.00 C ATOM 519 OE1 GLU A 35 2.428 -6.673 -8.031 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.188 -7.350 -9.715 1.00 0.00 O ATOM 0 H GLU A 35 -1.456 -4.257 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 35 1.094 -5.319 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.275 -3.889 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.432 -4.270 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.238 -6.542 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.644 -5.944 -8.812 1.00 0.00 H new ATOM 527 N VAL A 36 1.034 -2.027 -6.059 1.00 0.00 N ATOM 528 CA VAL A 36 1.791 -0.809 -5.796 1.00 0.00 C ATOM 529 C VAL A 36 2.031 -0.624 -4.302 1.00 0.00 C ATOM 530 O VAL A 36 3.069 -0.109 -3.888 1.00 0.00 O ATOM 531 CB VAL A 36 1.068 0.434 -6.347 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.060 0.419 -7.868 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.349 0.514 -5.799 1.00 0.00 C ATOM 0 H VAL A 36 0.110 -1.871 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 36 2.749 -0.916 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 36 1.610 1.321 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.545 1.305 -8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.086 0.415 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.544 -0.474 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.844 1.399 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.904 -0.377 -6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.315 0.578 -4.711 1.00 0.00 H new ATOM 543 N MET A 37 1.062 -1.051 -3.496 1.00 0.00 N ATOM 544 CA MET A 37 1.168 -0.933 -2.046 1.00 0.00 C ATOM 545 C MET A 37 2.271 -1.839 -1.508 1.00 0.00 C ATOM 546 O MET A 37 2.937 -1.507 -0.528 1.00 0.00 O ATOM 547 CB MET A 37 -0.166 -1.286 -1.386 1.00 0.00 C ATOM 548 CG MET A 37 -1.132 -0.114 -1.302 1.00 0.00 C ATOM 549 SD MET A 37 -2.009 -0.047 0.272 1.00 0.00 S ATOM 550 CE MET A 37 -3.321 -1.231 -0.022 1.00 0.00 C ATOM 0 H MET A 37 0.197 -1.481 -3.823 1.00 0.00 H new ATOM 0 HA MET A 37 1.421 0.100 -1.807 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.636 -2.094 -1.946 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.024 -1.663 -0.381 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.582 0.816 -1.447 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.856 -0.186 -2.114 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.279 -0.786 0.247 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.332 -1.507 -1.076 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.151 -2.121 0.585 1.00 0.00 H new ATOM 560 N LEU A 38 2.459 -2.983 -2.158 1.00 0.00 N ATOM 561 CA LEU A 38 3.483 -3.937 -1.745 1.00 0.00 C ATOM 562 C LEU A 38 4.872 -3.317 -1.846 1.00 0.00 C ATOM 563 O LEU A 38 5.751 -3.599 -1.031 1.00 0.00 O ATOM 564 CB LEU A 38 3.410 -5.199 -2.606 1.00 0.00 C ATOM 565 CG LEU A 38 2.452 -6.276 -2.096 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.401 -7.449 -3.063 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.866 -6.744 -0.708 1.00 0.00 C ATOM 0 H LEU A 38 1.917 -3.272 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 38 3.299 -4.205 -0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.110 -4.915 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.409 -5.628 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 38 1.453 -5.844 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.714 -8.205 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.056 -7.103 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.397 -7.881 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.173 -7.510 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.874 -7.158 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.848 -5.900 -0.019 1.00 0.00 H new ATOM 579 N GLU A 39 5.065 -2.469 -2.852 1.00 0.00 N ATOM 580 CA GLU A 39 6.347 -1.806 -3.059 1.00 0.00 C ATOM 581 C GLU A 39 6.328 -0.392 -2.485 1.00 0.00 C ATOM 582 O GLU A 39 7.048 0.490 -2.955 1.00 0.00 O ATOM 583 CB GLU A 39 6.687 -1.765 -4.550 1.00 0.00 C ATOM 584 CG GLU A 39 7.764 -2.756 -4.956 1.00 0.00 C ATOM 585 CD GLU A 39 8.596 -2.267 -6.126 1.00 0.00 C ATOM 586 OE1 GLU A 39 8.022 -1.642 -7.042 1.00 0.00 O ATOM 587 OE2 GLU A 39 9.822 -2.508 -6.125 1.00 0.00 O ATOM 0 H GLU A 39 4.349 -2.225 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 39 7.114 -2.377 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.784 -1.967 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.014 -0.759 -4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.417 -2.946 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.298 -3.706 -5.218 1.00 0.00 H new ATOM 594 N THR A 40 5.499 -0.184 -1.467 1.00 0.00 N ATOM 595 CA THR A 40 5.385 1.121 -0.826 1.00 0.00 C ATOM 596 C THR A 40 4.772 0.988 0.564 1.00 0.00 C ATOM 597 O THR A 40 4.063 1.880 1.031 1.00 0.00 O ATOM 598 CB THR A 40 4.536 2.062 -1.683 1.00 0.00 C ATOM 599 OG1 THR A 40 4.730 1.797 -3.061 1.00 0.00 O ATOM 600 CG2 THR A 40 4.844 3.526 -1.449 1.00 0.00 C ATOM 0 H THR A 40 4.896 -0.903 -1.068 1.00 0.00 H new ATOM 0 HA THR A 40 6.387 1.539 -0.725 1.00 0.00 H new ATOM 0 HB THR A 40 3.505 1.872 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.979 1.267 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.207 4.138 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.657 3.775 -0.404 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.890 3.720 -1.686 1.00 0.00 H new ATOM 608 N TYR A 41 5.052 -0.133 1.221 1.00 0.00 N ATOM 609 CA TYR A 41 4.530 -0.388 2.559 1.00 0.00 C ATOM 610 C TYR A 41 5.412 -1.380 3.313 1.00 0.00 C ATOM 611 O TYR A 41 5.658 -1.220 4.509 1.00 0.00 O ATOM 612 CB TYR A 41 3.098 -0.919 2.478 1.00 0.00 C ATOM 613 CG TYR A 41 2.207 -0.429 3.597 1.00 0.00 C ATOM 614 CD1 TYR A 41 1.892 0.918 3.721 1.00 0.00 C ATOM 615 CD2 TYR A 41 1.682 -1.314 4.531 1.00 0.00 C ATOM 616 CE1 TYR A 41 1.078 1.370 4.742 1.00 0.00 C ATOM 617 CE2 TYR A 41 0.867 -0.871 5.555 1.00 0.00 C ATOM 618 CZ TYR A 41 0.568 0.472 5.657 1.00 0.00 C ATOM 619 OH TYR A 41 -0.241 0.918 6.675 1.00 0.00 O ATOM 0 H TYR A 41 5.638 -0.880 0.848 1.00 0.00 H new ATOM 0 HA TYR A 41 4.531 0.555 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.663 -0.624 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.122 -2.009 2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.290 1.624 3.007 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.915 -2.366 4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.842 2.421 4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.466 -1.572 6.272 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.516 0.159 7.231 1.00 0.00 H new ATOM 629 N GLN A 42 5.887 -2.403 2.608 1.00 0.00 N ATOM 630 CA GLN A 42 6.742 -3.418 3.212 1.00 0.00 C ATOM 631 C GLN A 42 8.219 -3.061 3.048 1.00 0.00 C ATOM 632 O GLN A 42 9.064 -3.938 2.866 1.00 0.00 O ATOM 633 CB GLN A 42 6.457 -4.788 2.586 1.00 0.00 C ATOM 634 CG GLN A 42 5.881 -5.796 3.566 1.00 0.00 C ATOM 635 CD GLN A 42 4.386 -5.979 3.401 1.00 0.00 C ATOM 636 OE1 GLN A 42 3.651 -5.016 3.175 1.00 0.00 O ATOM 637 NE2 GLN A 42 3.925 -7.219 3.516 1.00 0.00 N ATOM 0 H GLN A 42 5.694 -2.550 1.617 1.00 0.00 H new ATOM 0 HA GLN A 42 6.519 -3.459 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.761 -4.662 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.381 -5.187 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.378 -6.756 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.093 -5.470 4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.569 -7.987 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.927 -7.403 3.417 1.00 0.00 H new ATOM 646 N ASN A 43 8.522 -1.769 3.116 1.00 0.00 N ATOM 647 CA ASN A 43 9.893 -1.293 2.977 1.00 0.00 C ATOM 648 C ASN A 43 10.041 0.102 3.572 1.00 0.00 C ATOM 649 O ASN A 43 10.999 0.385 4.291 1.00 0.00 O ATOM 650 CB ASN A 43 10.307 -1.280 1.504 1.00 0.00 C ATOM 651 CG ASN A 43 10.593 -2.671 0.972 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.464 -3.376 1.482 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.859 -3.072 -0.060 1.00 0.00 N ATOM 0 H ASN A 43 7.834 -1.031 3.267 1.00 0.00 H new ATOM 0 HA ASN A 43 10.547 -1.975 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.515 -0.823 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.194 -0.658 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.007 -3.998 -0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.148 -2.454 -0.451 1.00 0.00 H new ATOM 660 N LEU A 44 9.081 0.966 3.270 1.00 0.00 N ATOM 661 CA LEU A 44 9.092 2.335 3.775 1.00 0.00 C ATOM 662 C LEU A 44 10.364 3.065 3.354 1.00 0.00 C ATOM 663 O LEU A 44 11.358 3.071 4.079 1.00 0.00 O ATOM 664 CB LEU A 44 8.971 2.337 5.300 1.00 0.00 C ATOM 665 CG LEU A 44 7.557 2.105 5.835 1.00 0.00 C ATOM 666 CD1 LEU A 44 7.548 2.144 7.355 1.00 0.00 C ATOM 667 CD2 LEU A 44 6.597 3.139 5.268 1.00 0.00 C ATOM 0 H LEU A 44 8.282 0.743 2.676 1.00 0.00 H new ATOM 0 HA LEU A 44 8.238 2.859 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.627 1.565 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.334 3.293 5.677 1.00 0.00 H new ATOM 0 HG LEU A 44 7.226 1.117 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.534 1.977 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.205 1.365 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.899 3.118 7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.596 2.959 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.925 4.137 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.581 3.063 4.181 1.00 0.00 H new ATOM 679 N THR A 45 10.322 3.683 2.177 1.00 0.00 N ATOM 680 CA THR A 45 11.469 4.419 1.659 1.00 0.00 C ATOM 681 C THR A 45 11.610 5.773 2.350 1.00 0.00 C ATOM 682 O THR A 45 12.688 6.366 2.358 1.00 0.00 O ATOM 683 CB THR A 45 11.335 4.617 0.149 1.00 0.00 C ATOM 684 OG1 THR A 45 10.610 3.548 -0.434 1.00 0.00 O ATOM 685 CG2 THR A 45 12.667 4.710 -0.564 1.00 0.00 C ATOM 0 H THR A 45 9.506 3.688 1.565 1.00 0.00 H new ATOM 0 HA THR A 45 12.365 3.833 1.865 1.00 0.00 H new ATOM 0 HB THR A 45 10.810 5.564 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.533 3.693 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.499 4.850 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.232 5.556 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.231 3.791 -0.403 1.00 0.00 H new ATOM 693 N ASP A 46 10.515 6.254 2.929 1.00 0.00 N ATOM 694 CA ASP A 46 10.516 7.536 3.622 1.00 0.00 C ATOM 695 C ASP A 46 9.511 7.532 4.771 1.00 0.00 C ATOM 696 O ASP A 46 8.310 7.689 4.557 1.00 0.00 O ATOM 697 CB ASP A 46 10.189 8.668 2.648 1.00 0.00 C ATOM 698 CG ASP A 46 10.638 10.022 3.162 1.00 0.00 C ATOM 699 OD1 ASP A 46 10.435 10.299 4.363 1.00 0.00 O ATOM 700 OD2 ASP A 46 11.194 10.806 2.363 1.00 0.00 O ATOM 0 H ASP A 46 9.615 5.774 2.932 1.00 0.00 H new ATOM 0 HA ASP A 46 11.513 7.698 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.669 8.469 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.114 8.689 2.468 1.00 0.00 H new ATOM 705 N ILE A 47 10.012 7.348 5.988 1.00 0.00 N ATOM 706 CA ILE A 47 9.157 7.321 7.169 1.00 0.00 C ATOM 707 C ILE A 47 9.034 8.708 7.792 1.00 0.00 C ATOM 708 O ILE A 47 7.972 9.083 8.289 1.00 0.00 O ATOM 709 CB ILE A 47 9.695 6.342 8.233 1.00 0.00 C ATOM 710 CG1 ILE A 47 10.118 5.022 7.581 1.00 0.00 C ATOM 711 CG2 ILE A 47 8.646 6.099 9.307 1.00 0.00 C ATOM 712 CD1 ILE A 47 11.616 4.812 7.559 1.00 0.00 C ATOM 0 H ILE A 47 11.005 7.216 6.182 1.00 0.00 H new ATOM 0 HA ILE A 47 8.175 6.984 6.838 1.00 0.00 H new ATOM 0 HB ILE A 47 10.572 6.787 8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.651 4.195 8.117 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.740 4.993 6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.040 5.406 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.393 7.043 9.789 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.752 5.673 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.843 3.858 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.088 5.618 6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.998 4.808 8.580 1.00 0.00 H new ATOM 724 N GLY A 48 10.126 9.464 7.764 1.00 0.00 N ATOM 725 CA GLY A 48 10.119 10.799 8.331 1.00 0.00 C ATOM 726 C GLY A 48 10.758 10.848 9.704 1.00 0.00 C ATOM 727 O GLY A 48 11.354 9.869 10.153 1.00 0.00 O ATOM 0 H GLY A 48 11.016 9.176 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.649 11.477 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.092 11.156 8.399 1.00 0.00 H new ATOM 731 N TYR A 49 10.637 11.990 10.372 1.00 0.00 N ATOM 732 CA TYR A 49 11.211 12.160 11.702 1.00 0.00 C ATOM 733 C TYR A 49 10.799 13.499 12.307 1.00 0.00 C ATOM 734 O TYR A 49 11.183 14.560 11.814 1.00 0.00 O ATOM 735 CB TYR A 49 12.738 12.062 11.638 1.00 0.00 C ATOM 736 CG TYR A 49 13.329 11.126 12.668 1.00 0.00 C ATOM 737 CD1 TYR A 49 13.442 9.765 12.412 1.00 0.00 C ATOM 738 CD2 TYR A 49 13.774 11.603 13.894 1.00 0.00 C ATOM 739 CE1 TYR A 49 13.982 8.906 13.351 1.00 0.00 C ATOM 740 CE2 TYR A 49 14.316 10.750 14.837 1.00 0.00 C ATOM 741 CZ TYR A 49 14.417 9.403 14.560 1.00 0.00 C ATOM 742 OH TYR A 49 14.955 8.551 15.497 1.00 0.00 O ATOM 0 H TYR A 49 10.147 12.811 10.015 1.00 0.00 H new ATOM 0 HA TYR A 49 10.829 11.363 12.340 1.00 0.00 H new ATOM 0 HB2 TYR A 49 13.031 11.725 10.643 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.163 13.056 11.776 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.103 9.372 11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.695 12.657 14.114 1.00 0.00 H new ATOM 0 HE1 TYR A 49 14.062 7.850 13.138 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.659 11.136 15.786 1.00 0.00 H new ATOM 0 HH TYR A 49 15.213 9.061 16.293 1.00 0.00 H new ATOM 752 N ASN A 50 10.017 13.442 13.381 1.00 0.00 N ATOM 753 CA ASN A 50 9.555 14.650 14.055 1.00 0.00 C ATOM 754 C ASN A 50 10.552 15.090 15.122 1.00 0.00 C ATOM 755 O ASN A 50 10.509 14.620 16.259 1.00 0.00 O ATOM 756 CB ASN A 50 8.182 14.413 14.687 1.00 0.00 C ATOM 757 CG ASN A 50 7.270 15.617 14.556 1.00 0.00 C ATOM 758 OD1 ASN A 50 6.336 15.618 13.756 1.00 0.00 O ATOM 759 ND2 ASN A 50 7.538 16.650 15.346 1.00 0.00 N ATOM 0 H ASN A 50 9.690 12.573 13.803 1.00 0.00 H new ATOM 0 HA ASN A 50 9.472 15.443 13.312 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.711 13.551 14.214 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.308 14.169 15.742 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.958 17.488 15.304 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.324 16.605 15.995 1.00 0.00 H new ATOM 766 N TRP A 51 11.453 15.993 14.747 1.00 0.00 N ATOM 767 CA TRP A 51 12.463 16.495 15.671 1.00 0.00 C ATOM 768 C TRP A 51 12.027 17.815 16.304 1.00 0.00 C ATOM 769 O TRP A 51 12.857 18.581 16.793 1.00 0.00 O ATOM 770 CB TRP A 51 13.796 16.685 14.944 1.00 0.00 C ATOM 771 CG TRP A 51 13.719 17.672 13.820 1.00 0.00 C ATOM 772 CD1 TRP A 51 13.313 17.427 12.540 1.00 0.00 C ATOM 773 CD2 TRP A 51 14.056 19.063 13.875 1.00 0.00 C ATOM 774 NE1 TRP A 51 13.376 18.579 11.795 1.00 0.00 N ATOM 775 CE2 TRP A 51 13.830 19.598 12.592 1.00 0.00 C ATOM 776 CE3 TRP A 51 14.525 19.909 14.884 1.00 0.00 C ATOM 777 CZ2 TRP A 51 14.058 20.938 12.293 1.00 0.00 C ATOM 778 CZ3 TRP A 51 14.752 21.240 14.586 1.00 0.00 C ATOM 779 CH2 TRP A 51 14.517 21.743 13.300 1.00 0.00 C ATOM 0 H TRP A 51 11.504 16.392 13.810 1.00 0.00 H new ATOM 0 HA TRP A 51 12.585 15.758 16.465 1.00 0.00 H new ATOM 0 HB2 TRP A 51 14.549 17.017 15.659 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.130 15.724 14.553 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.989 16.467 12.167 1.00 0.00 H new ATOM 0 HE1 TRP A 51 13.126 18.663 10.810 1.00 0.00 H new ATOM 0 HE3 TRP A 51 14.707 19.530 15.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 13.879 21.328 11.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 15.116 21.902 15.357 1.00 0.00 H new ATOM 0 HH2 TRP A 51 14.702 22.788 13.099 1.00 0.00 H new ATOM 790 N GLN A 52 10.724 18.077 16.294 1.00 0.00 N ATOM 791 CA GLN A 52 10.190 19.306 16.868 1.00 0.00 C ATOM 792 C GLN A 52 9.717 19.078 18.297 1.00 0.00 C ATOM 793 O GLN A 52 9.844 19.951 19.154 1.00 0.00 O ATOM 794 CB GLN A 52 9.040 19.840 16.014 1.00 0.00 C ATOM 795 CG GLN A 52 9.422 20.078 14.561 1.00 0.00 C ATOM 796 CD GLN A 52 8.554 19.297 13.593 1.00 0.00 C ATOM 797 OE1 GLN A 52 7.469 18.837 13.947 1.00 0.00 O ATOM 798 NE2 GLN A 52 9.031 19.143 12.363 1.00 0.00 N ATOM 0 H GLN A 52 10.020 17.456 15.895 1.00 0.00 H new ATOM 0 HA GLN A 52 10.991 20.046 16.884 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.211 19.133 16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.682 20.775 16.445 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.342 21.142 14.338 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.465 19.799 14.413 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.936 19.542 12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.492 18.626 11.668 1.00 0.00 H new ATOM 807 N ASP A 53 9.175 17.894 18.541 1.00 0.00 N ATOM 808 CA ASP A 53 8.678 17.528 19.863 1.00 0.00 C ATOM 809 C ASP A 53 7.549 18.457 20.304 1.00 0.00 C ATOM 810 O ASP A 53 6.373 18.099 20.226 1.00 0.00 O ATOM 811 CB ASP A 53 9.819 17.562 20.883 1.00 0.00 C ATOM 812 CG ASP A 53 10.087 16.200 21.496 1.00 0.00 C ATOM 813 OD1 ASP A 53 9.768 15.184 20.845 1.00 0.00 O ATOM 814 OD2 ASP A 53 10.615 16.152 22.626 1.00 0.00 O ATOM 0 H ASP A 53 9.067 17.164 17.837 1.00 0.00 H new ATOM 0 HA ASP A 53 8.280 16.515 19.807 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.726 17.924 20.398 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.575 18.272 21.674 1.00 0.00 H new ATOM 819 N HIS A 54 7.914 19.649 20.770 1.00 0.00 N ATOM 820 CA HIS A 54 6.936 20.631 21.225 1.00 0.00 C ATOM 821 C HIS A 54 6.158 20.111 22.430 1.00 0.00 C ATOM 822 O HIS A 54 5.632 18.999 22.410 1.00 0.00 O ATOM 823 CB HIS A 54 5.971 20.989 20.093 1.00 0.00 C ATOM 824 CG HIS A 54 6.571 21.894 19.063 1.00 0.00 C ATOM 825 ND1 HIS A 54 7.014 23.169 19.347 1.00 0.00 N ATOM 826 CD2 HIS A 54 6.801 21.704 17.742 1.00 0.00 C ATOM 827 CE1 HIS A 54 7.490 23.724 18.247 1.00 0.00 C ATOM 828 NE2 HIS A 54 7.374 22.855 17.260 1.00 0.00 N ATOM 0 H HIS A 54 8.883 19.958 20.842 1.00 0.00 H new ATOM 0 HA HIS A 54 7.477 21.528 21.526 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.635 20.072 19.609 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.088 21.468 20.516 1.00 0.00 H new ATOM 0 HD2 HIS A 54 6.576 20.814 17.174 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.903 24.719 18.168 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.663 23.013 16.295 1.00 0.00 H new ATOM 836 N HIS A 55 6.091 20.925 23.479 1.00 0.00 N ATOM 837 CA HIS A 55 5.378 20.550 24.693 1.00 0.00 C ATOM 838 C HIS A 55 5.224 21.748 25.626 1.00 0.00 C ATOM 839 O HIS A 55 5.990 21.909 26.576 1.00 0.00 O ATOM 840 CB HIS A 55 6.118 19.421 25.414 1.00 0.00 C ATOM 841 CG HIS A 55 5.227 18.566 26.261 1.00 0.00 C ATOM 842 ND1 HIS A 55 5.093 17.206 26.079 1.00 0.00 N ATOM 843 CD2 HIS A 55 4.419 18.885 27.301 1.00 0.00 C ATOM 844 CE1 HIS A 55 4.244 16.725 26.970 1.00 0.00 C ATOM 845 NE2 HIS A 55 3.821 17.724 27.723 1.00 0.00 N ATOM 0 H HIS A 55 6.522 21.849 23.512 1.00 0.00 H new ATOM 0 HA HIS A 55 4.384 20.203 24.409 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.615 18.793 24.674 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.898 19.852 26.042 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.273 19.870 27.720 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.947 15.691 27.066 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.157 17.645 28.494 1.00 0.00 H new ATOM 853 N ILE A 56 4.230 22.585 25.347 1.00 0.00 N ATOM 854 CA ILE A 56 3.978 23.768 26.160 1.00 0.00 C ATOM 855 C ILE A 56 3.456 23.384 27.542 1.00 0.00 C ATOM 856 O ILE A 56 2.386 22.790 27.670 1.00 0.00 O ATOM 857 CB ILE A 56 2.965 24.712 25.479 1.00 0.00 C ATOM 858 CG1 ILE A 56 2.800 25.997 26.293 1.00 0.00 C ATOM 859 CG2 ILE A 56 1.624 24.014 25.299 1.00 0.00 C ATOM 860 CD1 ILE A 56 2.713 27.245 25.442 1.00 0.00 C ATOM 0 H ILE A 56 3.587 22.466 24.565 1.00 0.00 H new ATOM 0 HA ILE A 56 4.930 24.288 26.268 1.00 0.00 H new ATOM 0 HB ILE A 56 3.348 24.978 24.494 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.899 25.919 26.902 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.641 26.093 26.979 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.922 24.694 24.817 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.755 23.128 24.678 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.234 23.719 26.273 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.597 28.117 26.086 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.624 27.348 24.853 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.855 27.171 24.774 1.00 0.00 H new ATOM 872 N GLU A 57 4.220 23.730 28.573 1.00 0.00 N ATOM 873 CA GLU A 57 3.836 23.424 29.947 1.00 0.00 C ATOM 874 C GLU A 57 3.835 24.682 30.810 1.00 0.00 C ATOM 875 O GLU A 57 2.944 24.880 31.635 1.00 0.00 O ATOM 876 CB GLU A 57 4.785 22.383 30.544 1.00 0.00 C ATOM 877 CG GLU A 57 4.622 20.996 29.946 1.00 0.00 C ATOM 878 CD GLU A 57 4.641 19.901 30.995 1.00 0.00 C ATOM 879 OE1 GLU A 57 5.446 20.004 31.944 1.00 0.00 O ATOM 880 OE2 GLU A 57 3.851 18.943 30.867 1.00 0.00 O ATOM 0 H GLU A 57 5.109 24.222 28.483 1.00 0.00 H new ATOM 0 HA GLU A 57 2.824 23.018 29.931 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.813 22.714 30.397 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.619 22.327 31.620 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.682 20.950 29.396 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.422 20.819 29.227 1.00 0.00 H new ATOM 887 N GLU A 58 4.841 25.531 30.614 1.00 0.00 N ATOM 888 CA GLU A 58 4.958 26.771 31.375 1.00 0.00 C ATOM 889 C GLU A 58 5.233 26.481 32.847 1.00 0.00 C ATOM 890 O GLU A 58 4.309 26.291 33.637 1.00 0.00 O ATOM 891 CB GLU A 58 3.682 27.606 31.238 1.00 0.00 C ATOM 892 CG GLU A 58 3.892 29.086 31.510 1.00 0.00 C ATOM 893 CD GLU A 58 3.556 29.954 30.313 1.00 0.00 C ATOM 894 OE1 GLU A 58 2.356 30.220 30.090 1.00 0.00 O ATOM 895 OE2 GLU A 58 4.493 30.370 29.599 1.00 0.00 O ATOM 0 H GLU A 58 5.587 25.382 29.934 1.00 0.00 H new ATOM 0 HA GLU A 58 5.797 27.337 30.970 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.284 27.483 30.231 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.930 27.221 31.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.275 29.387 32.357 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.930 29.255 31.796 1.00 0.00 H new ATOM 902 N SER A 59 6.512 26.448 33.208 1.00 0.00 N ATOM 903 CA SER A 59 6.911 26.180 34.584 1.00 0.00 C ATOM 904 C SER A 59 6.911 27.463 35.411 1.00 0.00 C ATOM 905 O SER A 59 7.953 27.897 35.905 1.00 0.00 O ATOM 906 CB SER A 59 8.298 25.534 34.618 1.00 0.00 C ATOM 907 OG SER A 59 8.396 24.589 35.668 1.00 0.00 O ATOM 0 H SER A 59 7.289 26.604 32.566 1.00 0.00 H new ATOM 0 HA SER A 59 6.187 25.491 35.019 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.498 25.045 33.665 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.058 26.305 34.746 1.00 0.00 H new ATOM 0 HG SER A 59 9.291 24.190 35.667 1.00 0.00 H new ATOM 913 N GLY A 60 5.736 28.067 35.558 1.00 0.00 N ATOM 914 CA GLY A 60 5.622 29.293 36.325 1.00 0.00 C ATOM 915 C GLY A 60 6.426 30.432 35.724 1.00 0.00 C ATOM 916 O GLY A 60 7.456 30.199 35.091 1.00 0.00 O ATOM 0 H GLY A 60 4.860 27.729 35.159 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.573 29.585 36.384 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.961 29.112 37.345 1.00 0.00 H new ATOM 920 N PRO A 61 5.979 31.685 35.908 1.00 0.00 N ATOM 921 CA PRO A 61 6.677 32.860 35.373 1.00 0.00 C ATOM 922 C PRO A 61 8.146 32.895 35.779 1.00 0.00 C ATOM 923 O PRO A 61 9.036 32.854 34.929 1.00 0.00 O ATOM 924 CB PRO A 61 5.922 34.039 35.995 1.00 0.00 C ATOM 925 CG PRO A 61 4.565 33.505 36.295 1.00 0.00 C ATOM 926 CD PRO A 61 4.760 32.056 36.650 1.00 0.00 C ATOM 0 HA PRO A 61 6.682 32.868 34.283 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.417 34.393 36.899 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.872 34.884 35.308 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.104 34.050 37.119 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.905 33.611 35.434 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.886 31.919 37.724 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.906 31.450 36.349 1.00 0.00 H new ATOM 934 N SER A 62 8.393 32.971 37.083 1.00 0.00 N ATOM 935 CA SER A 62 9.755 33.011 37.602 1.00 0.00 C ATOM 936 C SER A 62 10.067 31.758 38.414 1.00 0.00 C ATOM 937 O SER A 62 9.740 31.676 39.598 1.00 0.00 O ATOM 938 CB SER A 62 9.956 34.256 38.468 1.00 0.00 C ATOM 939 OG SER A 62 10.364 35.364 37.683 1.00 0.00 O ATOM 0 H SER A 62 7.668 33.006 37.799 1.00 0.00 H new ATOM 0 HA SER A 62 10.438 33.051 36.754 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.028 34.496 38.986 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.705 34.053 39.233 1.00 0.00 H new ATOM 0 HG SER A 62 10.484 36.147 38.260 1.00 0.00 H new ATOM 945 N SER A 63 10.701 30.784 37.769 1.00 0.00 N ATOM 946 CA SER A 63 11.057 29.535 38.431 1.00 0.00 C ATOM 947 C SER A 63 12.546 29.500 38.762 1.00 0.00 C ATOM 948 O SER A 63 12.958 28.897 39.752 1.00 0.00 O ATOM 949 CB SER A 63 10.691 28.342 37.546 1.00 0.00 C ATOM 950 OG SER A 63 10.718 28.697 36.175 1.00 0.00 O ATOM 0 H SER A 63 10.979 30.836 36.789 1.00 0.00 H new ATOM 0 HA SER A 63 10.495 29.473 39.363 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.388 27.524 37.727 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.698 27.979 37.811 1.00 0.00 H new ATOM 0 HG SER A 63 9.846 28.506 35.771 1.00 0.00 H new ATOM 956 N GLY A 64 13.347 30.151 37.926 1.00 0.00 N ATOM 957 CA GLY A 64 14.782 30.183 38.145 1.00 0.00 C ATOM 958 C GLY A 64 15.303 31.588 38.375 1.00 0.00 C ATOM 959 O GLY A 64 15.426 32.344 37.390 1.00 0.00 O ATOM 960 OXT GLY A 64 15.587 31.931 39.541 1.00 0.00 O ATOM 0 H GLY A 64 13.029 30.658 37.100 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.029 29.562 39.006 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.288 29.748 37.283 1.00 0.00 H new TER 964 GLY A 64