USER MOD reduce.3.24.130724 H: found=0, std=0, add=337, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 340 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 711 SER OG : rot 32:sc= 0.0432 USER MOD Single : A 712 LYS NZ :NH3+ 166:sc=-0.00471 (180deg=-0.153) USER MOD Single : A 716 SER OG : rot 180:sc= 0 USER MOD Single : A 719 SER OG : rot 180:sc= 0 USER MOD Single : A 721 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 724 TYR OH : rot 180:sc= 0 USER MOD Single : A 729 TYR OH : rot 180:sc= 0 USER MOD Single : A 730 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.5!) USER MOD Single : A 731 THR OG1 : rot 180:sc= 0 USER MOD Single : A 732 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 735 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 743 GLN : amide:sc= -0.684 X(o=-0.68,f=-0.28) USER MOD Single : A 746 MET CE :methyl 146:sc= -0.567 (180deg=-1.75!) USER MOD Single : A 750 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.049) USER MOD Single : A 753 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 711 44.979 -3.278 -11.854 1.00 0.00 N ATOM 2 CA SER A 711 45.079 -3.105 -13.326 1.00 0.00 C ATOM 3 C SER A 711 43.706 -3.196 -13.985 1.00 0.00 C ATOM 4 O SER A 711 42.934 -4.113 -13.709 1.00 0.00 O ATOM 5 CB SER A 711 46.006 -4.186 -13.882 1.00 0.00 C ATOM 6 OG SER A 711 47.324 -4.034 -13.381 1.00 0.00 O ATOM 0 HA SER A 711 45.483 -2.116 -13.545 1.00 0.00 H new ATOM 0 HB2 SER A 711 45.623 -5.171 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 711 46.019 -4.134 -14.971 1.00 0.00 H new ATOM 0 HG SER A 711 47.289 -3.663 -12.475 1.00 0.00 H new ATOM 14 N LYS A 712 43.411 -2.240 -14.859 1.00 0.00 N ATOM 15 CA LYS A 712 42.132 -2.213 -15.559 1.00 0.00 C ATOM 16 C LYS A 712 42.230 -1.394 -16.842 1.00 0.00 C ATOM 17 O LYS A 712 43.028 -0.462 -16.934 1.00 0.00 O ATOM 18 CB LYS A 712 41.043 -1.636 -14.652 1.00 0.00 C ATOM 19 CG LYS A 712 40.408 -2.667 -13.733 1.00 0.00 C ATOM 20 CD LYS A 712 39.052 -2.202 -13.228 1.00 0.00 C ATOM 21 CE LYS A 712 38.579 -3.041 -12.051 1.00 0.00 C ATOM 22 NZ LYS A 712 39.362 -2.759 -10.816 1.00 0.00 N ATOM 0 H LYS A 712 44.040 -1.474 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 712 41.869 -3.237 -15.824 1.00 0.00 H new ATOM 0 HB2 LYS A 712 41.471 -0.837 -14.047 1.00 0.00 H new ATOM 0 HB3 LYS A 712 40.267 -1.186 -15.271 1.00 0.00 H new ATOM 0 HG2 LYS A 712 40.295 -3.611 -14.266 1.00 0.00 H new ATOM 0 HG3 LYS A 712 41.068 -2.857 -12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 712 39.113 -1.156 -12.929 1.00 0.00 H new ATOM 0 HD3 LYS A 712 38.322 -2.261 -14.035 1.00 0.00 H new ATOM 0 HE2 LYS A 712 37.524 -2.842 -11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 712 38.665 -4.098 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 712 38.870 -3.162 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 712 40.306 -3.187 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 712 39.458 -1.731 -10.693 1.00 0.00 H new ATOM 36 N LEU A 713 41.412 -1.747 -17.827 1.00 0.00 N ATOM 37 CA LEU A 713 41.407 -1.043 -19.105 1.00 0.00 C ATOM 38 C LEU A 713 40.029 -1.107 -19.755 1.00 0.00 C ATOM 39 O LEU A 713 39.360 -2.140 -19.716 1.00 0.00 O ATOM 40 CB LEU A 713 42.455 -1.641 -20.044 1.00 0.00 C ATOM 41 CG LEU A 713 43.873 -1.094 -19.865 1.00 0.00 C ATOM 42 CD1 LEU A 713 44.884 -2.002 -20.546 1.00 0.00 C ATOM 43 CD2 LEU A 713 43.970 0.321 -20.412 1.00 0.00 C ATOM 0 H LEU A 713 40.744 -2.516 -17.766 1.00 0.00 H new ATOM 0 HA LEU A 713 41.652 0.002 -18.917 1.00 0.00 H new ATOM 0 HB2 LEU A 713 42.477 -2.721 -19.898 1.00 0.00 H new ATOM 0 HB3 LEU A 713 42.141 -1.465 -21.073 1.00 0.00 H new ATOM 0 HG LEU A 713 44.101 -1.066 -18.799 1.00 0.00 H new ATOM 0 HD11 LEU A 713 45.887 -1.598 -20.409 1.00 0.00 H new ATOM 0 HD12 LEU A 713 44.831 -2.999 -20.108 1.00 0.00 H new ATOM 0 HD13 LEU A 713 44.660 -2.062 -21.611 1.00 0.00 H new ATOM 0 HD21 LEU A 713 44.985 0.695 -20.277 1.00 0.00 H new ATOM 0 HD22 LEU A 713 43.723 0.318 -21.474 1.00 0.00 H new ATOM 0 HD23 LEU A 713 43.272 0.966 -19.879 1.00 0.00 H new ATOM 55 N GLU A 714 39.610 0.004 -20.351 1.00 0.00 N ATOM 56 CA GLU A 714 38.310 0.074 -21.010 1.00 0.00 C ATOM 57 C GLU A 714 37.183 -0.190 -20.019 1.00 0.00 C ATOM 58 O GLU A 714 36.893 -1.340 -19.685 1.00 0.00 O ATOM 59 CB GLU A 714 38.242 -0.934 -22.159 1.00 0.00 C ATOM 60 CG GLU A 714 37.391 -0.469 -23.328 1.00 0.00 C ATOM 61 CD GLU A 714 35.938 -0.881 -23.192 1.00 0.00 C ATOM 62 OE1 GLU A 714 35.681 -2.085 -22.975 1.00 0.00 O ATOM 63 OE2 GLU A 714 35.058 -0.002 -23.303 1.00 0.00 O ATOM 0 H GLU A 714 40.151 0.868 -20.392 1.00 0.00 H new ATOM 0 HA GLU A 714 38.188 1.080 -21.411 1.00 0.00 H new ATOM 0 HB2 GLU A 714 39.253 -1.136 -22.514 1.00 0.00 H new ATOM 0 HB3 GLU A 714 37.843 -1.875 -21.782 1.00 0.00 H new ATOM 0 HG2 GLU A 714 37.451 0.616 -23.407 1.00 0.00 H new ATOM 0 HG3 GLU A 714 37.796 -0.879 -24.253 1.00 0.00 H new ATOM 70 N GLY A 715 36.549 0.880 -19.551 1.00 0.00 N ATOM 71 CA GLY A 715 35.461 0.742 -18.600 1.00 0.00 C ATOM 72 C GLY A 715 35.936 0.794 -17.162 1.00 0.00 C ATOM 73 O GLY A 715 36.622 -0.115 -16.694 1.00 0.00 O ATOM 0 H GLY A 715 36.769 1.841 -19.813 1.00 0.00 H new ATOM 0 HA2 GLY A 715 34.733 1.536 -18.768 1.00 0.00 H new ATOM 0 HA3 GLY A 715 34.947 -0.203 -18.775 1.00 0.00 H new ATOM 77 N SER A 716 35.571 1.861 -16.459 1.00 0.00 N ATOM 78 CA SER A 716 35.964 2.029 -15.066 1.00 0.00 C ATOM 79 C SER A 716 34.807 2.572 -14.234 1.00 0.00 C ATOM 80 O SER A 716 34.425 3.734 -14.370 1.00 0.00 O ATOM 81 CB SER A 716 37.166 2.970 -14.962 1.00 0.00 C ATOM 82 OG SER A 716 38.171 2.620 -15.899 1.00 0.00 O ATOM 0 H SER A 716 35.003 2.622 -16.832 1.00 0.00 H new ATOM 0 HA SER A 716 36.242 1.050 -14.674 1.00 0.00 H new ATOM 0 HB2 SER A 716 36.844 3.997 -15.136 1.00 0.00 H new ATOM 0 HB3 SER A 716 37.576 2.931 -13.953 1.00 0.00 H new ATOM 0 HG SER A 716 38.927 3.237 -15.813 1.00 0.00 H new ATOM 88 N GLU A 717 34.251 1.723 -13.375 1.00 0.00 N ATOM 89 CA GLU A 717 33.138 2.118 -12.523 1.00 0.00 C ATOM 90 C GLU A 717 31.935 2.541 -13.360 1.00 0.00 C ATOM 91 O GLU A 717 31.190 3.444 -12.981 1.00 0.00 O ATOM 92 CB GLU A 717 33.556 3.261 -11.596 1.00 0.00 C ATOM 93 CG GLU A 717 32.663 3.415 -10.376 1.00 0.00 C ATOM 94 CD GLU A 717 33.448 3.720 -9.114 1.00 0.00 C ATOM 95 OE1 GLU A 717 34.564 3.178 -8.964 1.00 0.00 O ATOM 96 OE2 GLU A 717 32.947 4.500 -8.279 1.00 0.00 O ATOM 0 H GLU A 717 34.554 0.757 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 717 32.853 1.256 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 717 34.581 3.093 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 717 33.551 4.194 -12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 717 31.944 4.215 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 717 32.091 2.499 -10.231 1.00 0.00 H new ATOM 103 N ASP A 718 31.751 1.880 -14.497 1.00 0.00 N ATOM 104 CA ASP A 718 30.638 2.188 -15.390 1.00 0.00 C ATOM 105 C ASP A 718 29.806 0.941 -15.670 1.00 0.00 C ATOM 106 O ASP A 718 30.326 -0.174 -15.684 1.00 0.00 O ATOM 107 CB ASP A 718 31.158 2.776 -16.703 1.00 0.00 C ATOM 108 CG ASP A 718 30.249 3.859 -17.250 1.00 0.00 C ATOM 109 OD1 ASP A 718 29.108 3.535 -17.642 1.00 0.00 O ATOM 110 OD2 ASP A 718 30.678 5.031 -17.286 1.00 0.00 O ATOM 0 H ASP A 718 32.357 1.127 -14.823 1.00 0.00 H new ATOM 0 HA ASP A 718 30.002 2.924 -14.898 1.00 0.00 H new ATOM 0 HB2 ASP A 718 32.155 3.188 -16.544 1.00 0.00 H new ATOM 0 HB3 ASP A 718 31.256 1.980 -17.441 1.00 0.00 H new ATOM 115 N SER A 719 28.511 1.138 -15.895 1.00 0.00 N ATOM 116 CA SER A 719 27.606 0.031 -16.176 1.00 0.00 C ATOM 117 C SER A 719 27.580 -0.959 -15.016 1.00 0.00 C ATOM 118 O SER A 719 28.276 -1.975 -15.039 1.00 0.00 O ATOM 119 CB SER A 719 28.026 -0.684 -17.463 1.00 0.00 C ATOM 120 OG SER A 719 27.326 -1.906 -17.619 1.00 0.00 O ATOM 0 H SER A 719 28.065 2.055 -15.888 1.00 0.00 H new ATOM 0 HA SER A 719 26.603 0.438 -16.305 1.00 0.00 H new ATOM 0 HB2 SER A 719 27.834 -0.039 -18.320 1.00 0.00 H new ATOM 0 HB3 SER A 719 29.099 -0.876 -17.443 1.00 0.00 H new ATOM 0 HG SER A 719 27.611 -2.343 -18.449 1.00 0.00 H new ATOM 126 N LEU A 720 26.774 -0.657 -14.004 1.00 0.00 N ATOM 127 CA LEU A 720 26.657 -1.520 -12.835 1.00 0.00 C ATOM 128 C LEU A 720 25.202 -1.655 -12.401 1.00 0.00 C ATOM 129 O LEU A 720 24.718 -2.759 -12.153 1.00 0.00 O ATOM 130 CB LEU A 720 27.497 -0.966 -11.682 1.00 0.00 C ATOM 131 CG LEU A 720 28.005 -2.015 -10.690 1.00 0.00 C ATOM 132 CD1 LEU A 720 26.841 -2.760 -10.057 1.00 0.00 C ATOM 133 CD2 LEU A 720 28.950 -2.986 -11.381 1.00 0.00 C ATOM 0 H LEU A 720 26.192 0.180 -13.970 1.00 0.00 H new ATOM 0 HA LEU A 720 27.029 -2.509 -13.105 1.00 0.00 H new ATOM 0 HB2 LEU A 720 28.354 -0.436 -12.098 1.00 0.00 H new ATOM 0 HB3 LEU A 720 26.902 -0.232 -11.139 1.00 0.00 H new ATOM 0 HG LEU A 720 28.554 -1.504 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 720 27.222 -3.501 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 720 26.202 -2.054 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 720 26.263 -3.260 -10.834 1.00 0.00 H new ATOM 0 HD21 LEU A 720 29.302 -3.725 -10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 720 28.424 -3.490 -12.192 1.00 0.00 H new ATOM 0 HD23 LEU A 720 29.802 -2.439 -11.785 1.00 0.00 H new ATOM 145 N TYR A 721 24.510 -0.523 -12.311 1.00 0.00 N ATOM 146 CA TYR A 721 23.107 -0.517 -11.905 1.00 0.00 C ATOM 147 C TYR A 721 22.321 0.543 -12.664 1.00 0.00 C ATOM 148 O TYR A 721 21.200 0.302 -13.112 1.00 0.00 O ATOM 149 CB TYR A 721 22.991 -0.278 -10.399 1.00 0.00 C ATOM 150 CG TYR A 721 21.687 -0.762 -9.807 1.00 0.00 C ATOM 151 CD1 TYR A 721 21.331 -2.104 -9.865 1.00 0.00 C ATOM 152 CD2 TYR A 721 20.809 0.123 -9.193 1.00 0.00 C ATOM 153 CE1 TYR A 721 20.139 -2.550 -9.326 1.00 0.00 C ATOM 154 CE2 TYR A 721 19.615 -0.315 -8.651 1.00 0.00 C ATOM 155 CZ TYR A 721 19.285 -1.652 -8.721 1.00 0.00 C ATOM 156 OH TYR A 721 18.098 -2.093 -8.183 1.00 0.00 O ATOM 0 H TYR A 721 24.896 0.399 -12.513 1.00 0.00 H new ATOM 0 HA TYR A 721 22.683 -1.492 -12.144 1.00 0.00 H new ATOM 0 HB2 TYR A 721 23.817 -0.780 -9.895 1.00 0.00 H new ATOM 0 HB3 TYR A 721 23.097 0.788 -10.200 1.00 0.00 H new ATOM 0 HD1 TYR A 721 21.997 -2.810 -10.339 1.00 0.00 H new ATOM 0 HD2 TYR A 721 21.064 1.171 -9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 721 19.878 -3.597 -9.378 1.00 0.00 H new ATOM 0 HE2 TYR A 721 18.945 0.386 -8.176 1.00 0.00 H new ATOM 0 HH TYR A 721 17.614 -1.335 -7.794 1.00 0.00 H new ATOM 166 N SER A 722 22.919 1.714 -12.799 1.00 0.00 N ATOM 167 CA SER A 722 22.287 2.829 -13.501 1.00 0.00 C ATOM 168 C SER A 722 21.835 2.413 -14.900 1.00 0.00 C ATOM 169 O SER A 722 20.912 3.003 -15.461 1.00 0.00 O ATOM 170 CB SER A 722 23.253 4.011 -13.595 1.00 0.00 C ATOM 171 OG SER A 722 23.840 4.293 -12.337 1.00 0.00 O ATOM 0 H SER A 722 23.847 1.923 -12.431 1.00 0.00 H new ATOM 0 HA SER A 722 21.407 3.130 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 722 24.034 3.789 -14.322 1.00 0.00 H new ATOM 0 HB3 SER A 722 22.721 4.891 -13.957 1.00 0.00 H new ATOM 0 HG SER A 722 24.454 5.051 -12.425 1.00 0.00 H new ATOM 177 N ASP A 723 22.488 1.398 -15.457 1.00 0.00 N ATOM 178 CA ASP A 723 22.145 0.910 -16.787 1.00 0.00 C ATOM 179 C ASP A 723 20.735 0.328 -16.803 1.00 0.00 C ATOM 180 O ASP A 723 19.869 0.791 -17.545 1.00 0.00 O ATOM 181 CB ASP A 723 23.153 -0.148 -17.242 1.00 0.00 C ATOM 182 CG ASP A 723 23.460 -0.057 -18.723 1.00 0.00 C ATOM 183 OD1 ASP A 723 23.411 1.065 -19.271 1.00 0.00 O ATOM 184 OD2 ASP A 723 23.750 -1.106 -19.334 1.00 0.00 O ATOM 0 H ASP A 723 23.256 0.899 -15.009 1.00 0.00 H new ATOM 0 HA ASP A 723 22.180 1.753 -17.477 1.00 0.00 H new ATOM 0 HB2 ASP A 723 24.077 -0.033 -16.675 1.00 0.00 H new ATOM 0 HB3 ASP A 723 22.761 -1.140 -17.016 1.00 0.00 H new ATOM 189 N TYR A 724 20.514 -0.688 -15.977 1.00 0.00 N ATOM 190 CA TYR A 724 19.212 -1.336 -15.889 1.00 0.00 C ATOM 191 C TYR A 724 18.181 -0.392 -15.271 1.00 0.00 C ATOM 192 O TYR A 724 16.996 -0.452 -15.597 1.00 0.00 O ATOM 193 CB TYR A 724 19.323 -2.625 -15.062 1.00 0.00 C ATOM 194 CG TYR A 724 18.041 -3.019 -14.361 1.00 0.00 C ATOM 195 CD1 TYR A 724 17.690 -2.443 -13.148 1.00 0.00 C ATOM 196 CD2 TYR A 724 17.186 -3.961 -14.913 1.00 0.00 C ATOM 197 CE1 TYR A 724 16.521 -2.794 -12.504 1.00 0.00 C ATOM 198 CE2 TYR A 724 16.013 -4.319 -14.276 1.00 0.00 C ATOM 199 CZ TYR A 724 15.684 -3.732 -13.072 1.00 0.00 C ATOM 200 OH TYR A 724 14.518 -4.085 -12.433 1.00 0.00 O ATOM 0 H TYR A 724 21.222 -1.081 -15.357 1.00 0.00 H new ATOM 0 HA TYR A 724 18.880 -1.590 -16.896 1.00 0.00 H new ATOM 0 HB2 TYR A 724 19.632 -3.439 -15.717 1.00 0.00 H new ATOM 0 HB3 TYR A 724 20.109 -2.500 -14.317 1.00 0.00 H new ATOM 0 HD1 TYR A 724 18.343 -1.708 -12.701 1.00 0.00 H new ATOM 0 HD2 TYR A 724 17.441 -4.422 -15.856 1.00 0.00 H new ATOM 0 HE1 TYR A 724 16.263 -2.337 -11.560 1.00 0.00 H new ATOM 0 HE2 TYR A 724 15.357 -5.054 -14.719 1.00 0.00 H new ATOM 0 HH TYR A 724 14.043 -4.756 -12.966 1.00 0.00 H new ATOM 210 N VAL A 725 18.642 0.477 -14.379 1.00 0.00 N ATOM 211 CA VAL A 725 17.763 1.430 -13.714 1.00 0.00 C ATOM 212 C VAL A 725 17.422 2.596 -14.637 1.00 0.00 C ATOM 213 O VAL A 725 16.342 3.182 -14.542 1.00 0.00 O ATOM 214 CB VAL A 725 18.407 1.969 -12.419 1.00 0.00 C ATOM 215 CG1 VAL A 725 17.558 3.071 -11.800 1.00 0.00 C ATOM 216 CG2 VAL A 725 18.626 0.834 -11.428 1.00 0.00 C ATOM 0 H VAL A 725 19.621 0.541 -14.100 1.00 0.00 H new ATOM 0 HA VAL A 725 16.845 0.901 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 725 19.375 2.401 -12.673 1.00 0.00 H new ATOM 0 HG11 VAL A 725 18.037 3.431 -10.889 1.00 0.00 H new ATOM 0 HG12 VAL A 725 17.458 3.894 -12.507 1.00 0.00 H new ATOM 0 HG13 VAL A 725 16.570 2.678 -11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 725 19.081 1.227 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 725 17.668 0.374 -11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 725 19.286 0.087 -11.870 1.00 0.00 H new ATOM 226 N ASP A 726 18.345 2.928 -15.534 1.00 0.00 N ATOM 227 CA ASP A 726 18.137 4.022 -16.476 1.00 0.00 C ATOM 228 C ASP A 726 16.876 3.793 -17.305 1.00 0.00 C ATOM 229 O ASP A 726 16.249 4.743 -17.776 1.00 0.00 O ATOM 230 CB ASP A 726 19.350 4.167 -17.399 1.00 0.00 C ATOM 231 CG ASP A 726 20.311 5.240 -16.927 1.00 0.00 C ATOM 232 OD1 ASP A 726 20.331 5.525 -15.711 1.00 0.00 O ATOM 233 OD2 ASP A 726 21.043 5.795 -17.773 1.00 0.00 O ATOM 0 H ASP A 726 19.244 2.455 -15.628 1.00 0.00 H new ATOM 0 HA ASP A 726 18.013 4.942 -15.905 1.00 0.00 H new ATOM 0 HB2 ASP A 726 19.875 3.213 -17.457 1.00 0.00 H new ATOM 0 HB3 ASP A 726 19.010 4.406 -18.407 1.00 0.00 H new ATOM 238 N VAL A 727 16.509 2.527 -17.478 1.00 0.00 N ATOM 239 CA VAL A 727 15.324 2.171 -18.247 1.00 0.00 C ATOM 240 C VAL A 727 14.071 2.805 -17.651 1.00 0.00 C ATOM 241 O VAL A 727 13.116 3.108 -18.366 1.00 0.00 O ATOM 242 CB VAL A 727 15.132 0.644 -18.311 1.00 0.00 C ATOM 243 CG1 VAL A 727 14.023 0.285 -19.286 1.00 0.00 C ATOM 244 CG2 VAL A 727 16.434 -0.042 -18.697 1.00 0.00 C ATOM 0 H VAL A 727 17.017 1.730 -17.095 1.00 0.00 H new ATOM 0 HA VAL A 727 15.477 2.552 -19.257 1.00 0.00 H new ATOM 0 HB VAL A 727 14.841 0.291 -17.321 1.00 0.00 H new ATOM 0 HG11 VAL A 727 13.902 -0.798 -19.317 1.00 0.00 H new ATOM 0 HG12 VAL A 727 13.090 0.745 -18.961 1.00 0.00 H new ATOM 0 HG13 VAL A 727 14.280 0.650 -20.280 1.00 0.00 H new ATOM 0 HG21 VAL A 727 16.279 -1.120 -18.737 1.00 0.00 H new ATOM 0 HG22 VAL A 727 16.757 0.315 -19.675 1.00 0.00 H new ATOM 0 HG23 VAL A 727 17.200 0.187 -17.956 1.00 0.00 H new ATOM 254 N PHE A 728 14.081 3.002 -16.337 1.00 0.00 N ATOM 255 CA PHE A 728 12.947 3.600 -15.643 1.00 0.00 C ATOM 256 C PHE A 728 12.924 5.115 -15.831 1.00 0.00 C ATOM 257 O PHE A 728 11.876 5.748 -15.714 1.00 0.00 O ATOM 258 CB PHE A 728 12.998 3.262 -14.153 1.00 0.00 C ATOM 259 CG PHE A 728 12.904 1.790 -13.867 1.00 0.00 C ATOM 260 CD1 PHE A 728 14.033 0.990 -13.907 1.00 0.00 C ATOM 261 CD2 PHE A 728 11.685 1.208 -13.557 1.00 0.00 C ATOM 262 CE1 PHE A 728 13.950 -0.365 -13.645 1.00 0.00 C ATOM 263 CE2 PHE A 728 11.594 -0.146 -13.293 1.00 0.00 C ATOM 264 CZ PHE A 728 12.729 -0.933 -13.337 1.00 0.00 C ATOM 0 H PHE A 728 14.863 2.756 -15.731 1.00 0.00 H new ATOM 0 HA PHE A 728 12.035 3.186 -16.073 1.00 0.00 H new ATOM 0 HB2 PHE A 728 13.928 3.647 -13.733 1.00 0.00 H new ATOM 0 HB3 PHE A 728 12.182 3.775 -13.644 1.00 0.00 H new ATOM 0 HD1 PHE A 728 14.990 1.430 -14.146 1.00 0.00 H new ATOM 0 HD2 PHE A 728 10.796 1.820 -13.521 1.00 0.00 H new ATOM 0 HE1 PHE A 728 14.838 -0.978 -13.681 1.00 0.00 H new ATOM 0 HE2 PHE A 728 10.638 -0.588 -13.053 1.00 0.00 H new ATOM 0 HZ PHE A 728 12.662 -1.991 -13.131 1.00 0.00 H new ATOM 274 N TYR A 729 14.088 5.690 -16.125 1.00 0.00 N ATOM 275 CA TYR A 729 14.201 7.131 -16.328 1.00 0.00 C ATOM 276 C TYR A 729 13.231 7.617 -17.404 1.00 0.00 C ATOM 277 O TYR A 729 12.855 8.788 -17.428 1.00 0.00 O ATOM 278 CB TYR A 729 15.635 7.500 -16.718 1.00 0.00 C ATOM 279 CG TYR A 729 16.107 8.807 -16.122 1.00 0.00 C ATOM 280 CD1 TYR A 729 15.587 10.018 -16.557 1.00 0.00 C ATOM 281 CD2 TYR A 729 17.075 8.827 -15.125 1.00 0.00 C ATOM 282 CE1 TYR A 729 16.016 11.216 -16.015 1.00 0.00 C ATOM 283 CE2 TYR A 729 17.510 10.020 -14.578 1.00 0.00 C ATOM 284 CZ TYR A 729 16.977 11.210 -15.026 1.00 0.00 C ATOM 285 OH TYR A 729 17.408 12.399 -14.483 1.00 0.00 O ATOM 0 H TYR A 729 14.965 5.180 -16.228 1.00 0.00 H new ATOM 0 HA TYR A 729 13.944 7.621 -15.389 1.00 0.00 H new ATOM 0 HB2 TYR A 729 16.306 6.702 -16.400 1.00 0.00 H new ATOM 0 HB3 TYR A 729 15.703 7.560 -17.804 1.00 0.00 H new ATOM 0 HD1 TYR A 729 14.835 10.025 -17.332 1.00 0.00 H new ATOM 0 HD2 TYR A 729 17.494 7.896 -14.772 1.00 0.00 H new ATOM 0 HE1 TYR A 729 15.601 12.150 -16.364 1.00 0.00 H new ATOM 0 HE2 TYR A 729 18.263 10.020 -13.804 1.00 0.00 H new ATOM 0 HH TYR A 729 18.086 12.219 -13.798 1.00 0.00 H new ATOM 295 N ASN A 730 12.829 6.709 -18.290 1.00 0.00 N ATOM 296 CA ASN A 730 11.903 7.050 -19.361 1.00 0.00 C ATOM 297 C ASN A 730 11.346 5.792 -20.020 1.00 0.00 C ATOM 298 O ASN A 730 11.612 4.676 -19.573 1.00 0.00 O ATOM 299 CB ASN A 730 12.599 7.923 -20.407 1.00 0.00 C ATOM 300 CG ASN A 730 13.766 7.216 -21.069 1.00 0.00 C ATOM 301 OD1 ASN A 730 14.435 6.390 -20.451 1.00 0.00 O ATOM 302 ND2 ASN A 730 14.015 7.541 -22.332 1.00 0.00 N ATOM 0 H ASN A 730 13.130 5.735 -18.286 1.00 0.00 H new ATOM 0 HA ASN A 730 11.074 7.608 -18.926 1.00 0.00 H new ATOM 0 HB2 ASN A 730 11.877 8.217 -21.169 1.00 0.00 H new ATOM 0 HB3 ASN A 730 12.954 8.838 -19.934 1.00 0.00 H new ATOM 0 HD21 ASN A 730 14.788 7.099 -22.829 1.00 0.00 H new ATOM 0 HD22 ASN A 730 13.433 8.232 -22.805 1.00 0.00 H new ATOM 309 N THR A 731 10.571 5.980 -21.083 1.00 0.00 N ATOM 310 CA THR A 731 9.975 4.860 -21.803 1.00 0.00 C ATOM 311 C THR A 731 9.033 4.072 -20.898 1.00 0.00 C ATOM 312 O THR A 731 8.880 2.861 -21.047 1.00 0.00 O ATOM 313 CB THR A 731 11.067 3.936 -22.348 1.00 0.00 C ATOM 314 OG1 THR A 731 12.020 4.673 -23.091 1.00 0.00 O ATOM 315 CG2 THR A 731 10.532 2.841 -23.243 1.00 0.00 C ATOM 0 H THR A 731 10.341 6.897 -21.465 1.00 0.00 H new ATOM 0 HA THR A 731 9.399 5.262 -22.637 1.00 0.00 H new ATOM 0 HB THR A 731 11.521 3.475 -21.471 1.00 0.00 H new ATOM 0 HG1 THR A 731 12.711 4.066 -23.430 1.00 0.00 H new ATOM 0 HG21 THR A 731 11.358 2.223 -23.595 1.00 0.00 H new ATOM 0 HG22 THR A 731 9.830 2.224 -22.683 1.00 0.00 H new ATOM 0 HG23 THR A 731 10.022 3.286 -24.098 1.00 0.00 H new ATOM 323 N LYS A 732 8.403 4.771 -19.958 1.00 0.00 N ATOM 324 CA LYS A 732 7.474 4.139 -19.028 1.00 0.00 C ATOM 325 C LYS A 732 6.708 5.190 -18.228 1.00 0.00 C ATOM 326 O LYS A 732 7.255 6.235 -17.878 1.00 0.00 O ATOM 327 CB LYS A 732 8.230 3.206 -18.079 1.00 0.00 C ATOM 328 CG LYS A 732 7.535 1.873 -17.854 1.00 0.00 C ATOM 329 CD LYS A 732 8.521 0.793 -17.436 1.00 0.00 C ATOM 330 CE LYS A 732 8.875 -0.119 -18.599 1.00 0.00 C ATOM 331 NZ LYS A 732 8.093 -1.386 -18.571 1.00 0.00 N ATOM 0 H LYS A 732 8.519 5.775 -19.821 1.00 0.00 H new ATOM 0 HA LYS A 732 6.757 3.555 -19.605 1.00 0.00 H new ATOM 0 HB2 LYS A 732 9.227 3.023 -18.480 1.00 0.00 H new ATOM 0 HB3 LYS A 732 8.360 3.705 -17.119 1.00 0.00 H new ATOM 0 HG2 LYS A 732 6.770 1.986 -17.086 1.00 0.00 H new ATOM 0 HG3 LYS A 732 7.026 1.568 -18.768 1.00 0.00 H new ATOM 0 HD2 LYS A 732 9.427 1.257 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 732 8.093 0.202 -16.626 1.00 0.00 H new ATOM 0 HE2 LYS A 732 8.688 0.402 -19.538 1.00 0.00 H new ATOM 0 HE3 LYS A 732 9.940 -0.349 -18.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 8.364 -1.979 -19.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 8.290 -1.896 -17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 7.078 -1.168 -18.626 1.00 0.00 H new ATOM 345 N PRO A 733 5.424 4.927 -17.924 1.00 0.00 N ATOM 346 CA PRO A 733 4.587 5.859 -17.162 1.00 0.00 C ATOM 347 C PRO A 733 5.008 5.949 -15.699 1.00 0.00 C ATOM 348 O PRO A 733 5.214 4.930 -15.037 1.00 0.00 O ATOM 349 CB PRO A 733 3.185 5.257 -17.279 1.00 0.00 C ATOM 350 CG PRO A 733 3.415 3.803 -17.506 1.00 0.00 C ATOM 351 CD PRO A 733 4.689 3.705 -18.302 1.00 0.00 C ATOM 0 HA PRO A 733 4.660 6.878 -17.543 1.00 0.00 H new ATOM 0 HB2 PRO A 733 2.603 5.429 -16.373 1.00 0.00 H new ATOM 0 HB3 PRO A 733 2.630 5.704 -18.104 1.00 0.00 H new ATOM 0 HG2 PRO A 733 3.504 3.269 -16.560 1.00 0.00 H new ATOM 0 HG3 PRO A 733 2.581 3.356 -18.047 1.00 0.00 H new ATOM 0 HD2 PRO A 733 5.251 2.805 -18.052 1.00 0.00 H new ATOM 0 HD3 PRO A 733 4.492 3.670 -19.373 1.00 0.00 H new ATOM 359 N TYR A 734 5.134 7.173 -15.199 1.00 0.00 N ATOM 360 CA TYR A 734 5.530 7.397 -13.812 1.00 0.00 C ATOM 361 C TYR A 734 4.458 8.178 -13.059 1.00 0.00 C ATOM 362 O TYR A 734 4.130 7.859 -11.916 1.00 0.00 O ATOM 363 CB TYR A 734 6.861 8.148 -13.756 1.00 0.00 C ATOM 364 CG TYR A 734 7.655 7.881 -12.497 1.00 0.00 C ATOM 365 CD1 TYR A 734 7.358 8.544 -11.312 1.00 0.00 C ATOM 366 CD2 TYR A 734 8.700 6.967 -12.494 1.00 0.00 C ATOM 367 CE1 TYR A 734 8.081 8.303 -10.160 1.00 0.00 C ATOM 368 CE2 TYR A 734 9.428 6.719 -11.345 1.00 0.00 C ATOM 369 CZ TYR A 734 9.115 7.390 -10.180 1.00 0.00 C ATOM 370 OH TYR A 734 9.838 7.147 -9.036 1.00 0.00 O ATOM 0 H TYR A 734 4.968 8.026 -15.733 1.00 0.00 H new ATOM 0 HA TYR A 734 5.649 6.426 -13.332 1.00 0.00 H new ATOM 0 HB2 TYR A 734 7.463 7.869 -14.621 1.00 0.00 H new ATOM 0 HB3 TYR A 734 6.668 9.218 -13.834 1.00 0.00 H new ATOM 0 HD1 TYR A 734 6.549 9.259 -11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 734 8.948 6.441 -13.404 1.00 0.00 H new ATOM 0 HE1 TYR A 734 7.838 8.827 -9.248 1.00 0.00 H new ATOM 0 HE2 TYR A 734 10.237 6.004 -11.359 1.00 0.00 H new ATOM 0 HH TYR A 734 10.529 6.477 -9.222 1.00 0.00 H new ATOM 380 N LYS A 735 3.919 9.206 -13.707 1.00 0.00 N ATOM 381 CA LYS A 735 2.884 10.034 -13.098 1.00 0.00 C ATOM 382 C LYS A 735 1.497 9.603 -13.564 1.00 0.00 C ATOM 383 O LYS A 735 0.610 10.433 -13.758 1.00 0.00 O ATOM 384 CB LYS A 735 3.114 11.508 -13.440 1.00 0.00 C ATOM 385 CG LYS A 735 4.037 12.221 -12.465 1.00 0.00 C ATOM 386 CD LYS A 735 3.747 13.711 -12.413 1.00 0.00 C ATOM 387 CE LYS A 735 2.840 14.061 -11.243 1.00 0.00 C ATOM 388 NZ LYS A 735 3.612 14.543 -10.065 1.00 0.00 N ATOM 0 H LYS A 735 4.181 9.485 -14.652 1.00 0.00 H new ATOM 0 HA LYS A 735 2.940 9.905 -12.017 1.00 0.00 H new ATOM 0 HB2 LYS A 735 3.534 11.578 -14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 735 2.153 12.022 -13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 735 3.919 11.791 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 735 5.074 12.061 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.683 14.262 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.277 14.024 -13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 735 2.131 14.829 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 735 2.257 13.184 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 2.957 14.771 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 4.271 13.801 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 4.148 15.395 -10.326 1.00 0.00 H new ATOM 402 N HIS A 736 1.317 8.299 -13.743 1.00 0.00 N ATOM 403 CA HIS A 736 0.038 7.755 -14.186 1.00 0.00 C ATOM 404 C HIS A 736 -0.533 6.792 -13.151 1.00 0.00 C ATOM 405 O HIS A 736 -1.587 7.044 -12.568 1.00 0.00 O ATOM 406 CB HIS A 736 0.201 7.041 -15.529 1.00 0.00 C ATOM 407 CG HIS A 736 -0.980 7.194 -16.436 1.00 0.00 C ATOM 408 ND1 HIS A 736 -1.708 6.122 -16.912 1.00 0.00 N ATOM 409 CD2 HIS A 736 -1.563 8.301 -16.954 1.00 0.00 C ATOM 410 CE1 HIS A 736 -2.684 6.565 -17.684 1.00 0.00 C ATOM 411 NE2 HIS A 736 -2.619 7.882 -17.725 1.00 0.00 N ATOM 0 H HIS A 736 2.042 7.598 -13.588 1.00 0.00 H new ATOM 0 HA HIS A 736 -0.658 8.585 -14.306 1.00 0.00 H new ATOM 0 HB2 HIS A 736 1.087 7.428 -16.032 1.00 0.00 H new ATOM 0 HB3 HIS A 736 0.375 5.980 -15.348 1.00 0.00 H new ATOM 0 HD2 HIS A 736 -1.255 9.323 -16.791 1.00 0.00 H new ATOM 0 HE1 HIS A 736 -3.412 5.953 -18.195 1.00 0.00 H new ATOM 0 HE2 HIS A 736 -3.251 8.491 -18.245 1.00 0.00 H new ATOM 420 N ARG A 737 0.172 5.687 -12.927 1.00 0.00 N ATOM 421 CA ARG A 737 -0.266 4.686 -11.961 1.00 0.00 C ATOM 422 C ARG A 737 -1.625 4.113 -12.349 1.00 0.00 C ATOM 423 O ARG A 737 -2.666 4.668 -11.998 1.00 0.00 O ATOM 424 CB ARG A 737 -0.335 5.293 -10.560 1.00 0.00 C ATOM 425 CG ARG A 737 0.072 4.330 -9.458 1.00 0.00 C ATOM 426 CD ARG A 737 -0.004 4.985 -8.088 1.00 0.00 C ATOM 427 NE ARG A 737 0.119 4.011 -7.006 1.00 0.00 N ATOM 428 CZ ARG A 737 1.270 3.452 -6.638 1.00 0.00 C ATOM 429 NH1 ARG A 737 2.398 3.769 -7.262 1.00 0.00 N ATOM 430 NH2 ARG A 737 1.291 2.574 -5.646 1.00 0.00 N ATOM 0 H ARG A 737 1.047 5.463 -13.400 1.00 0.00 H new ATOM 0 HA ARG A 737 0.463 3.875 -11.961 1.00 0.00 H new ATOM 0 HB2 ARG A 737 0.311 6.170 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 737 -1.352 5.638 -10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 737 -0.577 3.455 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 737 1.088 3.978 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 737 0.788 5.729 -7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 737 -0.952 5.515 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 737 -0.727 3.743 -6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 737 2.385 4.444 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 737 3.277 3.338 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 737 0.426 2.327 -5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 737 2.172 2.145 -5.363 1.00 0.00 H new ATOM 444 N ASP A 738 -1.608 3.001 -13.076 1.00 0.00 N ATOM 445 CA ASP A 738 -2.839 2.354 -13.511 1.00 0.00 C ATOM 446 C ASP A 738 -3.453 1.534 -12.381 1.00 0.00 C ATOM 447 O ASP A 738 -4.675 1.430 -12.269 1.00 0.00 O ATOM 448 CB ASP A 738 -2.568 1.455 -14.719 1.00 0.00 C ATOM 449 CG ASP A 738 -3.707 1.472 -15.720 1.00 0.00 C ATOM 450 OD1 ASP A 738 -4.708 0.759 -15.494 1.00 0.00 O ATOM 451 OD2 ASP A 738 -3.600 2.199 -16.730 1.00 0.00 O ATOM 0 H ASP A 738 -0.755 2.529 -13.376 1.00 0.00 H new ATOM 0 HA ASP A 738 -3.547 3.132 -13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 738 -1.651 1.779 -15.211 1.00 0.00 H new ATOM 0 HB3 ASP A 738 -2.403 0.433 -14.378 1.00 0.00 H new ATOM 456 N ASP A 739 -2.599 0.954 -11.546 1.00 0.00 N ATOM 457 CA ASP A 739 -3.057 0.142 -10.422 1.00 0.00 C ATOM 458 C ASP A 739 -3.962 0.953 -9.499 1.00 0.00 C ATOM 459 O ASP A 739 -5.084 0.547 -9.200 1.00 0.00 O ATOM 460 CB ASP A 739 -1.862 -0.402 -9.637 1.00 0.00 C ATOM 461 CG ASP A 739 -2.105 -1.804 -9.115 1.00 0.00 C ATOM 462 OD1 ASP A 739 -3.039 -1.982 -8.305 1.00 0.00 O ATOM 463 OD2 ASP A 739 -1.362 -2.724 -9.515 1.00 0.00 O ATOM 0 H ASP A 739 -1.585 1.030 -11.625 1.00 0.00 H new ATOM 0 HA ASP A 739 -3.631 -0.695 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -0.980 -0.403 -10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -1.647 0.263 -8.800 1.00 0.00 H new ATOM 468 N ARG A 740 -3.466 2.102 -9.051 1.00 0.00 N ATOM 469 CA ARG A 740 -4.231 2.970 -8.164 1.00 0.00 C ATOM 470 C ARG A 740 -5.526 3.416 -8.830 1.00 0.00 C ATOM 471 O ARG A 740 -6.543 3.614 -8.165 1.00 0.00 O ATOM 472 CB ARG A 740 -3.400 4.190 -7.765 1.00 0.00 C ATOM 473 CG ARG A 740 -3.611 4.626 -6.324 1.00 0.00 C ATOM 474 CD ARG A 740 -4.944 5.337 -6.145 1.00 0.00 C ATOM 475 NE ARG A 740 -5.873 4.563 -5.325 1.00 0.00 N ATOM 476 CZ ARG A 740 -5.765 4.433 -4.005 1.00 0.00 C ATOM 477 NH1 ARG A 740 -4.771 5.023 -3.352 1.00 0.00 N ATOM 478 NH2 ARG A 740 -6.652 3.710 -3.336 1.00 0.00 N ATOM 0 H ARG A 740 -2.538 2.453 -9.288 1.00 0.00 H new ATOM 0 HA ARG A 740 -4.480 2.404 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 740 -2.344 3.965 -7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 740 -3.648 5.020 -8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 740 -3.572 3.755 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 740 -2.801 5.289 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 740 -4.776 6.310 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 740 -5.390 5.521 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 740 -6.650 4.095 -5.792 1.00 0.00 H new ATOM 0 HH11 ARG A 740 -4.085 5.579 -3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 740 -4.693 4.920 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 740 -7.417 3.254 -3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 740 -6.570 3.610 -2.324 1.00 0.00 H new ATOM 492 N LEU A 741 -5.484 3.572 -10.149 1.00 0.00 N ATOM 493 CA LEU A 741 -6.657 3.991 -10.906 1.00 0.00 C ATOM 494 C LEU A 741 -7.777 2.966 -10.776 1.00 0.00 C ATOM 495 O LEU A 741 -8.948 3.323 -10.645 1.00 0.00 O ATOM 496 CB LEU A 741 -6.296 4.189 -12.379 1.00 0.00 C ATOM 497 CG LEU A 741 -7.116 5.255 -13.110 1.00 0.00 C ATOM 498 CD1 LEU A 741 -7.049 6.581 -12.369 1.00 0.00 C ATOM 499 CD2 LEU A 741 -6.624 5.416 -14.540 1.00 0.00 C ATOM 0 H LEU A 741 -4.650 3.415 -10.715 1.00 0.00 H new ATOM 0 HA LEU A 741 -7.006 4.939 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -5.241 4.455 -12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -6.419 3.239 -12.898 1.00 0.00 H new ATOM 0 HG LEU A 741 -8.156 4.931 -13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -7.638 7.327 -12.903 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -7.449 6.456 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -6.012 6.912 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -7.218 6.178 -15.045 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -5.577 5.718 -14.533 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -6.724 4.468 -15.068 1.00 0.00 H new ATOM 511 N LEU A 742 -7.409 1.689 -10.805 1.00 0.00 N ATOM 512 CA LEU A 742 -8.384 0.611 -10.684 1.00 0.00 C ATOM 513 C LEU A 742 -9.154 0.730 -9.372 1.00 0.00 C ATOM 514 O LEU A 742 -10.350 0.447 -9.316 1.00 0.00 O ATOM 515 CB LEU A 742 -7.688 -0.749 -10.761 1.00 0.00 C ATOM 516 CG LEU A 742 -7.462 -1.282 -12.176 1.00 0.00 C ATOM 517 CD1 LEU A 742 -6.082 -0.889 -12.680 1.00 0.00 C ATOM 518 CD2 LEU A 742 -7.634 -2.793 -12.211 1.00 0.00 C ATOM 0 H LEU A 742 -6.444 1.376 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 742 -9.089 0.693 -11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 742 -6.723 -0.675 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 742 -8.282 -1.476 -10.206 1.00 0.00 H new ATOM 0 HG LEU A 742 -8.208 -0.837 -12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 742 -5.939 -1.277 -13.689 1.00 0.00 H new ATOM 0 HD12 LEU A 742 -5.995 0.197 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 742 -5.321 -1.305 -12.020 1.00 0.00 H new ATOM 0 HD21 LEU A 742 -7.469 -3.155 -13.226 1.00 0.00 H new ATOM 0 HD22 LEU A 742 -6.912 -3.257 -11.539 1.00 0.00 H new ATOM 0 HD23 LEU A 742 -8.644 -3.052 -11.893 1.00 0.00 H new ATOM 530 N GLN A 743 -8.458 1.156 -8.323 1.00 0.00 N ATOM 531 CA GLN A 743 -9.078 1.318 -7.014 1.00 0.00 C ATOM 532 C GLN A 743 -10.208 2.340 -7.078 1.00 0.00 C ATOM 533 O GLN A 743 -11.296 2.111 -6.552 1.00 0.00 O ATOM 534 CB GLN A 743 -8.036 1.752 -5.983 1.00 0.00 C ATOM 535 CG GLN A 743 -7.362 0.588 -5.273 1.00 0.00 C ATOM 536 CD GLN A 743 -5.970 0.309 -5.806 1.00 0.00 C ATOM 537 OE1 GLN A 743 -4.978 0.813 -5.281 1.00 0.00 O ATOM 538 NE2 GLN A 743 -5.891 -0.498 -6.858 1.00 0.00 N ATOM 0 H GLN A 743 -7.467 1.395 -8.354 1.00 0.00 H new ATOM 0 HA GLN A 743 -9.495 0.358 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -7.275 2.354 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -8.515 2.391 -5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -7.302 0.803 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -7.976 -0.306 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -6.740 -0.894 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -4.982 -0.722 -7.262 1.00 0.00 H new ATOM 547 N ALA A 744 -9.942 3.468 -7.729 1.00 0.00 N ATOM 548 CA ALA A 744 -10.935 4.523 -7.864 1.00 0.00 C ATOM 549 C ALA A 744 -12.058 4.101 -8.803 1.00 0.00 C ATOM 550 O ALA A 744 -13.237 4.247 -8.483 1.00 0.00 O ATOM 551 CB ALA A 744 -10.283 5.806 -8.359 1.00 0.00 C ATOM 0 H ALA A 744 -9.046 3.673 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 744 -11.368 4.707 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -11.039 6.585 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -9.521 6.125 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -9.821 5.628 -9.330 1.00 0.00 H new ATOM 557 N LEU A 745 -11.685 3.570 -9.965 1.00 0.00 N ATOM 558 CA LEU A 745 -12.664 3.120 -10.948 1.00 0.00 C ATOM 559 C LEU A 745 -13.539 2.017 -10.365 1.00 0.00 C ATOM 560 O LEU A 745 -14.762 2.049 -10.489 1.00 0.00 O ATOM 561 CB LEU A 745 -11.960 2.618 -12.212 1.00 0.00 C ATOM 562 CG LEU A 745 -10.927 3.578 -12.809 1.00 0.00 C ATOM 563 CD1 LEU A 745 -9.801 2.804 -13.478 1.00 0.00 C ATOM 564 CD2 LEU A 745 -11.590 4.523 -13.799 1.00 0.00 C ATOM 0 H LEU A 745 -10.713 3.441 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 745 -13.298 3.966 -11.211 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.465 1.674 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -12.715 2.406 -12.969 1.00 0.00 H new ATOM 0 HG LEU A 745 -10.500 4.171 -12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.077 3.503 -13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -9.308 2.169 -12.742 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -10.210 2.184 -14.276 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -10.842 5.199 -14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -12.044 3.946 -14.604 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -12.359 5.103 -13.289 1.00 0.00 H new ATOM 576 N MET A 746 -12.900 1.041 -9.726 1.00 0.00 N ATOM 577 CA MET A 746 -13.620 -0.072 -9.120 1.00 0.00 C ATOM 578 C MET A 746 -14.397 0.390 -7.891 1.00 0.00 C ATOM 579 O MET A 746 -15.441 -0.172 -7.557 1.00 0.00 O ATOM 580 CB MET A 746 -12.649 -1.189 -8.734 1.00 0.00 C ATOM 581 CG MET A 746 -12.057 -1.919 -9.930 1.00 0.00 C ATOM 582 SD MET A 746 -11.853 -3.686 -9.630 1.00 0.00 S ATOM 583 CE MET A 746 -13.528 -4.155 -9.204 1.00 0.00 C ATOM 0 H MET A 746 -11.887 0.999 -9.615 1.00 0.00 H new ATOM 0 HA MET A 746 -14.328 -0.456 -9.854 1.00 0.00 H new ATOM 0 HB2 MET A 746 -11.839 -0.766 -8.139 1.00 0.00 H new ATOM 0 HB3 MET A 746 -13.168 -1.908 -8.100 1.00 0.00 H new ATOM 0 HG2 MET A 746 -12.702 -1.773 -10.796 1.00 0.00 H new ATOM 0 HG3 MET A 746 -11.089 -1.482 -10.176 1.00 0.00 H new ATOM 0 HE1 MET A 746 -13.727 -5.164 -9.566 1.00 0.00 H new ATOM 0 HE2 MET A 746 -13.649 -4.128 -8.121 1.00 0.00 H new ATOM 0 HE3 MET A 746 -14.229 -3.459 -9.665 1.00 0.00 H new ATOM 593 N ASP A 747 -13.881 1.415 -7.220 1.00 0.00 N ATOM 594 CA ASP A 747 -14.529 1.951 -6.029 1.00 0.00 C ATOM 595 C ASP A 747 -15.916 2.493 -6.361 1.00 0.00 C ATOM 596 O ASP A 747 -16.860 2.327 -5.589 1.00 0.00 O ATOM 597 CB ASP A 747 -13.670 3.056 -5.409 1.00 0.00 C ATOM 598 CG ASP A 747 -12.787 2.542 -4.289 1.00 0.00 C ATOM 599 OD1 ASP A 747 -13.213 1.608 -3.578 1.00 0.00 O ATOM 600 OD2 ASP A 747 -11.668 3.073 -4.123 1.00 0.00 O ATOM 0 H ASP A 747 -13.017 1.890 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 747 -14.639 1.140 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -13.047 3.505 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -14.318 3.844 -5.025 1.00 0.00 H new ATOM 605 N ILE A 748 -16.030 3.140 -7.516 1.00 0.00 N ATOM 606 CA ILE A 748 -17.300 3.706 -7.953 1.00 0.00 C ATOM 607 C ILE A 748 -18.358 2.619 -8.114 1.00 0.00 C ATOM 608 O ILE A 748 -19.483 2.757 -7.634 1.00 0.00 O ATOM 609 CB ILE A 748 -17.150 4.463 -9.287 1.00 0.00 C ATOM 610 CG1 ILE A 748 -15.995 5.463 -9.207 1.00 0.00 C ATOM 611 CG2 ILE A 748 -18.449 5.173 -9.644 1.00 0.00 C ATOM 612 CD1 ILE A 748 -15.126 5.485 -10.445 1.00 0.00 C ATOM 0 H ILE A 748 -15.258 3.285 -8.166 1.00 0.00 H new ATOM 0 HA ILE A 748 -17.616 4.407 -7.181 1.00 0.00 H new ATOM 0 HB ILE A 748 -16.926 3.741 -10.072 1.00 0.00 H new ATOM 0 HG12 ILE A 748 -16.400 6.461 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 748 -15.376 5.222 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 748 -18.326 5.703 -10.589 1.00 0.00 H new ATOM 0 HG22 ILE A 748 -19.250 4.440 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 748 -18.702 5.885 -8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 748 -14.328 6.217 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 748 -14.691 4.498 -10.602 1.00 0.00 H new ATOM 0 HD13 ILE A 748 -15.732 5.756 -11.310 1.00 0.00 H new ATOM 624 N LEU A 749 -17.988 1.536 -8.790 1.00 0.00 N ATOM 625 CA LEU A 749 -18.903 0.425 -9.015 1.00 0.00 C ATOM 626 C LEU A 749 -19.339 -0.197 -7.691 1.00 0.00 C ATOM 627 O LEU A 749 -20.495 -0.579 -7.523 1.00 0.00 O ATOM 628 CB LEU A 749 -18.243 -0.636 -9.898 1.00 0.00 C ATOM 629 CG LEU A 749 -19.165 -1.280 -10.935 1.00 0.00 C ATOM 630 CD1 LEU A 749 -19.128 -0.497 -12.239 1.00 0.00 C ATOM 631 CD2 LEU A 749 -18.770 -2.731 -11.172 1.00 0.00 C ATOM 0 H LEU A 749 -17.060 1.405 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 749 -19.787 0.811 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 749 -17.399 -0.181 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 749 -17.838 -1.420 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 749 -20.185 -1.260 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 749 -19.789 -0.969 -12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 749 -19.458 0.526 -12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 749 -18.110 -0.487 -12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 749 -19.437 -3.173 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 749 -17.744 -2.774 -11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 749 -18.847 -3.286 -10.237 1.00 0.00 H new ATOM 643 N ASN A 750 -18.402 -0.291 -6.752 1.00 0.00 N ATOM 644 CA ASN A 750 -18.688 -0.864 -5.442 1.00 0.00 C ATOM 645 C ASN A 750 -19.761 -0.061 -4.714 1.00 0.00 C ATOM 646 O ASN A 750 -20.479 -0.592 -3.867 1.00 0.00 O ATOM 647 CB ASN A 750 -17.414 -0.915 -4.597 1.00 0.00 C ATOM 648 CG ASN A 750 -16.660 -2.221 -4.762 1.00 0.00 C ATOM 649 OD1 ASN A 750 -15.467 -2.229 -5.061 1.00 0.00 O ATOM 650 ND2 ASN A 750 -17.359 -3.334 -4.570 1.00 0.00 N ATOM 0 H ASN A 750 -17.439 0.022 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 750 -19.060 -1.877 -5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 750 -16.764 -0.086 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 750 -17.673 -0.778 -3.547 1.00 0.00 H new ATOM 0 HD21 ASN A 750 -16.908 -4.243 -4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 750 -18.347 -3.279 -4.323 1.00 0.00 H new ATOM 657 N GLU A 751 -19.868 1.221 -5.050 1.00 0.00 N ATOM 658 CA GLU A 751 -20.853 2.098 -4.427 1.00 0.00 C ATOM 659 C GLU A 751 -22.265 1.548 -4.602 1.00 0.00 C ATOM 660 O GLU A 751 -23.126 1.732 -3.743 1.00 0.00 O ATOM 661 CB GLU A 751 -20.764 3.505 -5.021 1.00 0.00 C ATOM 662 CG GLU A 751 -19.386 4.132 -4.896 1.00 0.00 C ATOM 663 CD GLU A 751 -19.400 5.626 -5.149 1.00 0.00 C ATOM 664 OE1 GLU A 751 -20.217 6.327 -4.517 1.00 0.00 O ATOM 665 OE2 GLU A 751 -18.592 6.095 -5.978 1.00 0.00 O ATOM 0 H GLU A 751 -19.284 1.676 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 751 -20.633 2.146 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 751 -21.041 3.464 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 751 -21.492 4.147 -4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 751 -18.993 3.940 -3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 751 -18.708 3.654 -5.603 1.00 0.00 H new ATOM 672 N GLU A 752 -22.497 0.872 -5.724 1.00 0.00 N ATOM 673 CA GLU A 752 -23.805 0.295 -6.012 1.00 0.00 C ATOM 674 C GLU A 752 -23.780 -0.489 -7.319 1.00 0.00 C ATOM 675 O GLU A 752 -24.154 0.029 -8.372 1.00 0.00 O ATOM 676 CB GLU A 752 -24.866 1.395 -6.084 1.00 0.00 C ATOM 677 CG GLU A 752 -26.264 0.917 -5.725 1.00 0.00 C ATOM 678 CD GLU A 752 -27.349 1.722 -6.413 1.00 0.00 C ATOM 679 OE1 GLU A 752 -27.338 2.964 -6.286 1.00 0.00 O ATOM 680 OE2 GLU A 752 -28.211 1.109 -7.079 1.00 0.00 O ATOM 0 H GLU A 752 -21.796 0.711 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 752 -24.056 -0.391 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 752 -24.584 2.205 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 752 -24.880 1.809 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 752 -26.367 -0.133 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 752 -26.399 0.980 -4.645 1.00 0.00 H new ATOM 687 N ASN A 753 -23.340 -1.741 -7.244 1.00 0.00 N ATOM 688 CA ASN A 753 -23.267 -2.600 -8.422 1.00 0.00 C ATOM 689 C ASN A 753 -22.291 -2.034 -9.448 1.00 0.00 C ATOM 690 O ASN A 753 -21.757 -2.826 -10.254 1.00 0.00 O ATOM 691 CB ASN A 753 -24.651 -2.758 -9.051 1.00 0.00 C ATOM 692 CG ASN A 753 -24.874 -4.149 -9.613 1.00 0.00 C ATOM 693 OD1 ASN A 753 -24.769 -4.366 -10.822 1.00 0.00 O ATOM 694 ND2 ASN A 753 -25.185 -5.099 -8.739 1.00 0.00 N ATOM 695 OXT ASN A 753 -22.069 -0.805 -9.440 1.00 0.00 O ATOM 0 H ASN A 753 -23.028 -2.184 -6.380 1.00 0.00 H new ATOM 0 HA ASN A 753 -22.906 -3.579 -8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 753 -25.414 -2.545 -8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 753 -24.771 -2.023 -9.847 1.00 0.00 H new ATOM 0 HD21 ASN A 753 -25.348 -6.054 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 753 -25.261 -4.874 -7.747 1.00 0.00 H new TER 702 ASN A 753