USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 743 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 724 ASN : amide:sc= -0.028 X(o=-0.028,f=0) USER MOD Set 1.2: A 725 THR OG1 : rot 180:sc= 0 USER MOD Single : A 708 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 709 MET CE :methyl -161:sc= -0.122 (180deg=-0.595) USER MOD Single : A 711 ASN : amide:sc= -0.0106 K(o=-0.011,f=-0.91) USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD Single : A 726 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.7) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot -100:sc= 0.311 USER MOD Single : A 738 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.064) USER MOD Single : A 745 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 749 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 750 SER OG : rot 180:sc= 0 USER MOD Single : A 754 HIS : no HD1:sc= -0.482 K(o=-0.48,f=-1.3) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 130:sc= -0.132 USER MOD Single : A 761 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 763 LYS NZ :NH3+ -144:sc= 1.36 (180deg=1.04) USER MOD Single : A 773 CYS SG : rot 180:sc=-0.00962 USER MOD Single : A 775 HIS : no HE2:sc= 0.848 K(o=0.85,f=-5.5!) USER MOD Single : A 776 SER OG : rot 180:sc= -0.535 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 779 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.97) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 782 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 796 ASN : amide:sc= -3.28! C(o=-3.3!,f=-7.8!) USER MOD Single : A 798 LYS NZ :NH3+ 166:sc= -0.0578 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 708 0.292 11.710 22.576 1.00 1.11 N ATOM 2 CA MET A 708 -0.686 11.695 23.688 1.00 34.21 C ATOM 3 C MET A 708 -1.962 12.421 23.280 1.00 62.23 C ATOM 4 O MET A 708 -3.039 11.827 23.224 1.00 3.33 O ATOM 5 CB MET A 708 -0.085 12.363 24.928 1.00 30.31 C ATOM 6 CG MET A 708 -1.022 12.394 26.125 1.00 12.30 C ATOM 7 SD MET A 708 -0.335 13.319 27.514 1.00 51.13 S ATOM 8 CE MET A 708 -1.630 13.111 28.734 1.00 2.42 C ATOM 0 HA MET A 708 -0.928 10.658 23.923 1.00 34.21 H new ATOM 0 HB2 MET A 708 0.827 11.836 25.207 1.00 30.31 H new ATOM 0 HB3 MET A 708 0.201 13.384 24.676 1.00 30.31 H new ATOM 0 HG2 MET A 708 -1.971 12.841 25.828 1.00 12.30 H new ATOM 0 HG3 MET A 708 -1.236 11.373 26.442 1.00 12.30 H new ATOM 0 HE1 MET A 708 -1.351 13.628 29.652 1.00 2.42 H new ATOM 0 HE2 MET A 708 -2.561 13.528 28.351 1.00 2.42 H new ATOM 0 HE3 MET A 708 -1.767 12.050 28.942 1.00 2.42 H new ATOM 18 N MET A 709 -1.831 13.707 22.980 1.00 70.11 N ATOM 19 CA MET A 709 -2.978 14.530 22.622 1.00 64.03 C ATOM 20 C MET A 709 -3.367 14.310 21.167 1.00 75.22 C ATOM 21 O MET A 709 -2.523 14.374 20.271 1.00 1.33 O ATOM 22 CB MET A 709 -2.676 16.010 22.870 1.00 55.31 C ATOM 23 CG MET A 709 -2.517 16.361 24.342 1.00 63.24 C ATOM 24 SD MET A 709 -2.141 18.103 24.611 1.00 4.21 S ATOM 25 CE MET A 709 -0.545 18.240 23.806 1.00 4.31 C ATOM 0 H MET A 709 -0.940 14.203 22.978 1.00 70.11 H new ATOM 0 HA MET A 709 -3.817 14.234 23.252 1.00 64.03 H new ATOM 0 HB2 MET A 709 -1.762 16.280 22.340 1.00 55.31 H new ATOM 0 HB3 MET A 709 -3.480 16.612 22.446 1.00 55.31 H new ATOM 0 HG2 MET A 709 -3.435 16.107 24.872 1.00 63.24 H new ATOM 0 HG3 MET A 709 -1.721 15.752 24.772 1.00 63.24 H new ATOM 0 HE1 MET A 709 -0.032 19.133 24.164 1.00 4.31 H new ATOM 0 HE2 MET A 709 0.055 17.360 24.036 1.00 4.31 H new ATOM 0 HE3 MET A 709 -0.686 18.311 22.728 1.00 4.31 H new ATOM 35 N PRO A 710 -4.653 14.028 20.922 1.00 53.41 N ATOM 36 CA PRO A 710 -5.177 13.798 19.584 1.00 33.13 C ATOM 37 C PRO A 710 -5.652 15.086 18.922 1.00 43.14 C ATOM 38 O PRO A 710 -5.295 16.183 19.357 1.00 12.00 O ATOM 39 CB PRO A 710 -6.360 12.877 19.858 1.00 34.55 C ATOM 40 CG PRO A 710 -6.883 13.325 21.183 1.00 24.13 C ATOM 41 CD PRO A 710 -5.710 13.902 21.942 1.00 11.30 C ATOM 0 HA PRO A 710 -4.431 13.389 18.903 1.00 33.13 H new ATOM 0 HB2 PRO A 710 -7.120 12.965 19.081 1.00 34.55 H new ATOM 0 HB3 PRO A 710 -6.051 11.832 19.886 1.00 34.55 H new ATOM 0 HG2 PRO A 710 -7.667 14.072 21.057 1.00 24.13 H new ATOM 0 HG3 PRO A 710 -7.323 12.490 21.728 1.00 24.13 H new ATOM 0 HD2 PRO A 710 -5.956 14.868 22.383 1.00 11.30 H new ATOM 0 HD3 PRO A 710 -5.402 13.248 22.758 1.00 11.30 H new ATOM 49 N ASN A 711 -6.460 14.937 17.874 1.00 70.25 N ATOM 50 CA ASN A 711 -7.043 16.067 17.155 1.00 21.21 C ATOM 51 C ASN A 711 -5.967 16.893 16.470 1.00 45.21 C ATOM 52 O ASN A 711 -5.418 17.837 17.044 1.00 70.20 O ATOM 53 CB ASN A 711 -7.884 16.954 18.081 1.00 12.34 C ATOM 54 CG ASN A 711 -9.122 16.254 18.603 1.00 33.43 C ATOM 55 OD1 ASN A 711 -9.103 15.635 19.667 1.00 21.43 O ATOM 56 ND2 ASN A 711 -10.210 16.344 17.857 1.00 74.52 N ATOM 0 H ASN A 711 -6.729 14.027 17.499 1.00 70.25 H new ATOM 0 HA ASN A 711 -7.704 15.655 16.392 1.00 21.21 H new ATOM 0 HB2 ASN A 711 -7.271 17.275 18.924 1.00 12.34 H new ATOM 0 HB3 ASN A 711 -8.181 17.854 17.542 1.00 12.34 H new ATOM 0 HD21 ASN A 711 -11.073 15.891 18.157 1.00 74.52 H new ATOM 0 HD22 ASN A 711 -10.186 16.866 16.981 1.00 74.52 H new ATOM 63 N LYS A 712 -5.648 16.509 15.246 1.00 50.44 N ATOM 64 CA LYS A 712 -4.652 17.212 14.458 1.00 32.53 C ATOM 65 C LYS A 712 -5.298 17.781 13.205 1.00 11.35 C ATOM 66 O LYS A 712 -6.369 17.326 12.790 1.00 23.32 O ATOM 67 CB LYS A 712 -3.509 16.267 14.074 1.00 51.03 C ATOM 68 CG LYS A 712 -2.823 15.616 15.264 1.00 13.44 C ATOM 69 CD LYS A 712 -2.212 16.653 16.190 1.00 12.42 C ATOM 70 CE LYS A 712 -1.620 16.012 17.431 1.00 55.35 C ATOM 71 NZ LYS A 712 -1.079 17.030 18.364 1.00 30.14 N ATOM 0 H LYS A 712 -6.068 15.708 14.774 1.00 50.44 H new ATOM 0 HA LYS A 712 -4.243 18.027 15.055 1.00 32.53 H new ATOM 0 HB2 LYS A 712 -3.899 15.487 13.421 1.00 51.03 H new ATOM 0 HB3 LYS A 712 -2.768 16.823 13.499 1.00 51.03 H new ATOM 0 HG2 LYS A 712 -3.544 15.014 15.816 1.00 13.44 H new ATOM 0 HG3 LYS A 712 -2.045 14.939 14.911 1.00 13.44 H new ATOM 0 HD2 LYS A 712 -1.436 17.204 15.659 1.00 12.42 H new ATOM 0 HD3 LYS A 712 -2.974 17.376 16.481 1.00 12.42 H new ATOM 0 HE2 LYS A 712 -2.385 15.423 17.937 1.00 55.35 H new ATOM 0 HE3 LYS A 712 -0.826 15.323 17.142 1.00 55.35 H new ATOM 0 HZ1 LYS A 712 -0.682 16.558 19.201 1.00 30.14 H new ATOM 0 HZ2 LYS A 712 -0.332 17.575 17.888 1.00 30.14 H new ATOM 0 HZ3 LYS A 712 -1.843 17.672 18.658 1.00 30.14 H new ATOM 85 N VAL A 713 -4.662 18.777 12.612 1.00 35.11 N ATOM 86 CA VAL A 713 -5.147 19.339 11.363 1.00 25.42 C ATOM 87 C VAL A 713 -4.866 18.374 10.217 1.00 53.23 C ATOM 88 O VAL A 713 -4.090 17.430 10.374 1.00 24.53 O ATOM 89 CB VAL A 713 -4.501 20.710 11.060 1.00 72.42 C ATOM 90 CG1 VAL A 713 -4.875 21.725 12.131 1.00 13.13 C ATOM 91 CG2 VAL A 713 -2.990 20.586 10.941 1.00 15.23 C ATOM 0 H VAL A 713 -3.813 19.211 12.973 1.00 35.11 H new ATOM 0 HA VAL A 713 -6.222 19.491 11.464 1.00 25.42 H new ATOM 0 HB VAL A 713 -4.886 21.062 10.103 1.00 72.42 H new ATOM 0 HG11 VAL A 713 -4.411 22.684 11.901 1.00 13.13 H new ATOM 0 HG12 VAL A 713 -5.958 21.843 12.158 1.00 13.13 H new ATOM 0 HG13 VAL A 713 -4.524 21.376 13.102 1.00 13.13 H new ATOM 0 HG21 VAL A 713 -2.560 21.565 10.728 1.00 15.23 H new ATOM 0 HG22 VAL A 713 -2.581 20.207 11.877 1.00 15.23 H new ATOM 0 HG23 VAL A 713 -2.744 19.898 10.132 1.00 15.23 H new ATOM 101 N ARG A 714 -5.503 18.600 9.077 1.00 73.20 N ATOM 102 CA ARG A 714 -5.317 17.735 7.924 1.00 43.12 C ATOM 103 C ARG A 714 -3.885 17.835 7.426 1.00 75.34 C ATOM 104 O ARG A 714 -3.506 18.824 6.795 1.00 30.22 O ATOM 105 CB ARG A 714 -6.290 18.102 6.802 1.00 4.00 C ATOM 106 CG ARG A 714 -6.260 17.130 5.635 1.00 12.24 C ATOM 107 CD ARG A 714 -6.608 15.725 6.094 1.00 61.34 C ATOM 108 NE ARG A 714 -6.490 14.743 5.022 1.00 73.24 N ATOM 109 CZ ARG A 714 -6.124 13.475 5.218 1.00 3.31 C ATOM 110 NH1 ARG A 714 -5.750 13.061 6.424 1.00 24.43 N ATOM 111 NH2 ARG A 714 -6.107 12.629 4.202 1.00 3.33 N ATOM 0 H ARG A 714 -6.151 19.373 8.927 1.00 73.20 H new ATOM 0 HA ARG A 714 -5.520 16.709 8.229 1.00 43.12 H new ATOM 0 HB2 ARG A 714 -7.301 18.141 7.207 1.00 4.00 H new ATOM 0 HB3 ARG A 714 -6.053 19.102 6.438 1.00 4.00 H new ATOM 0 HG2 ARG A 714 -6.966 17.452 4.869 1.00 12.24 H new ATOM 0 HG3 ARG A 714 -5.270 17.134 5.178 1.00 12.24 H new ATOM 0 HD2 ARG A 714 -5.951 15.441 6.916 1.00 61.34 H new ATOM 0 HD3 ARG A 714 -7.627 15.715 6.482 1.00 61.34 H new ATOM 0 HE ARG A 714 -6.699 15.042 4.070 1.00 73.24 H new ATOM 0 HH11 ARG A 714 -5.741 13.714 7.207 1.00 24.43 H new ATOM 0 HH12 ARG A 714 -5.472 12.090 6.566 1.00 24.43 H new ATOM 0 HH21 ARG A 714 -6.373 12.946 3.270 1.00 3.33 H new ATOM 0 HH22 ARG A 714 -5.827 11.659 4.350 1.00 3.33 H new ATOM 125 N LYS A 715 -3.090 16.821 7.732 1.00 1.43 N ATOM 126 CA LYS A 715 -1.683 16.800 7.358 1.00 11.02 C ATOM 127 C LYS A 715 -1.202 15.377 7.103 1.00 14.51 C ATOM 128 O LYS A 715 -2.003 14.452 6.956 1.00 33.35 O ATOM 129 CB LYS A 715 -0.821 17.451 8.445 1.00 11.34 C ATOM 130 CG LYS A 715 -0.754 18.966 8.351 1.00 71.23 C ATOM 131 CD LYS A 715 0.235 19.538 9.351 1.00 43.50 C ATOM 132 CE LYS A 715 0.466 21.022 9.127 1.00 41.25 C ATOM 133 NZ LYS A 715 1.497 21.567 10.047 1.00 23.31 N ATOM 0 H LYS A 715 -3.399 15.994 8.243 1.00 1.43 H new ATOM 0 HA LYS A 715 -1.581 17.371 6.435 1.00 11.02 H new ATOM 0 HB2 LYS A 715 -1.216 17.174 9.423 1.00 11.34 H new ATOM 0 HB3 LYS A 715 0.190 17.048 8.384 1.00 11.34 H new ATOM 0 HG2 LYS A 715 -0.463 19.257 7.342 1.00 71.23 H new ATOM 0 HG3 LYS A 715 -1.743 19.388 8.532 1.00 71.23 H new ATOM 0 HD2 LYS A 715 -0.136 19.376 10.363 1.00 43.50 H new ATOM 0 HD3 LYS A 715 1.183 19.006 9.270 1.00 43.50 H new ATOM 0 HE2 LYS A 715 0.775 21.190 8.095 1.00 41.25 H new ATOM 0 HE3 LYS A 715 -0.470 21.561 9.271 1.00 41.25 H new ATOM 0 HZ1 LYS A 715 1.625 22.582 9.862 1.00 23.31 H new ATOM 0 HZ2 LYS A 715 1.191 21.430 11.031 1.00 23.31 H new ATOM 0 HZ3 LYS A 715 2.398 21.071 9.892 1.00 23.31 H new ATOM 147 N ILE A 716 0.113 15.216 7.064 1.00 72.23 N ATOM 148 CA ILE A 716 0.728 13.940 6.731 1.00 24.23 C ATOM 149 C ILE A 716 0.938 13.096 7.989 1.00 64.15 C ATOM 150 O ILE A 716 1.009 11.864 7.931 1.00 71.30 O ATOM 151 CB ILE A 716 2.076 14.163 6.006 1.00 63.33 C ATOM 152 CG1 ILE A 716 1.878 15.082 4.795 1.00 25.10 C ATOM 153 CG2 ILE A 716 2.687 12.842 5.570 1.00 4.22 C ATOM 154 CD1 ILE A 716 0.945 14.519 3.743 1.00 41.32 C ATOM 0 H ILE A 716 0.780 15.962 7.261 1.00 72.23 H new ATOM 0 HA ILE A 716 0.056 13.402 6.063 1.00 24.23 H new ATOM 0 HB ILE A 716 2.764 14.639 6.705 1.00 63.33 H new ATOM 0 HG12 ILE A 716 1.487 16.040 5.138 1.00 25.10 H new ATOM 0 HG13 ILE A 716 2.848 15.279 4.338 1.00 25.10 H new ATOM 0 HG21 ILE A 716 3.634 13.029 5.063 1.00 4.22 H new ATOM 0 HG22 ILE A 716 2.861 12.215 6.445 1.00 4.22 H new ATOM 0 HG23 ILE A 716 2.005 12.333 4.889 1.00 4.22 H new ATOM 0 HD11 ILE A 716 0.856 15.227 2.919 1.00 41.32 H new ATOM 0 HD12 ILE A 716 1.344 13.576 3.370 1.00 41.32 H new ATOM 0 HD13 ILE A 716 -0.038 14.349 4.182 1.00 41.32 H new ATOM 166 N GLY A 717 1.019 13.769 9.132 1.00 53.02 N ATOM 167 CA GLY A 717 1.142 13.081 10.404 1.00 73.45 C ATOM 168 C GLY A 717 -0.013 12.131 10.659 1.00 50.42 C ATOM 169 O GLY A 717 0.107 11.181 11.436 1.00 31.12 O ATOM 0 H GLY A 717 1.001 14.787 9.200 1.00 53.02 H new ATOM 0 HA2 GLY A 717 2.079 12.524 10.424 1.00 73.45 H new ATOM 0 HA3 GLY A 717 1.190 13.815 11.208 1.00 73.45 H new ATOM 173 N GLU A 718 -1.138 12.386 10.007 1.00 54.11 N ATOM 174 CA GLU A 718 -2.293 11.514 10.115 1.00 13.02 C ATOM 175 C GLU A 718 -2.006 10.171 9.450 1.00 14.30 C ATOM 176 O GLU A 718 -2.420 9.131 9.948 1.00 52.01 O ATOM 177 CB GLU A 718 -3.528 12.175 9.502 1.00 43.41 C ATOM 178 CG GLU A 718 -3.899 13.489 10.174 1.00 65.33 C ATOM 179 CD GLU A 718 -5.235 14.029 9.709 1.00 74.13 C ATOM 180 OE1 GLU A 718 -5.299 14.581 8.596 1.00 71.45 O ATOM 181 OE2 GLU A 718 -6.231 13.899 10.457 1.00 33.11 O ATOM 0 H GLU A 718 -1.273 13.192 9.397 1.00 54.11 H new ATOM 0 HA GLU A 718 -2.497 11.337 11.171 1.00 13.02 H new ATOM 0 HB2 GLU A 718 -3.348 12.354 8.442 1.00 43.41 H new ATOM 0 HB3 GLU A 718 -4.372 11.488 9.570 1.00 43.41 H new ATOM 0 HG2 GLU A 718 -3.927 13.344 11.254 1.00 65.33 H new ATOM 0 HG3 GLU A 718 -3.123 14.227 9.971 1.00 65.33 H new ATOM 188 N LEU A 719 -1.267 10.192 8.345 1.00 51.30 N ATOM 189 CA LEU A 719 -0.851 8.958 7.677 1.00 72.13 C ATOM 190 C LEU A 719 0.007 8.120 8.617 1.00 60.13 C ATOM 191 O LEU A 719 -0.044 6.891 8.602 1.00 71.15 O ATOM 192 CB LEU A 719 -0.071 9.255 6.387 1.00 13.13 C ATOM 193 CG LEU A 719 -0.900 9.759 5.198 1.00 33.32 C ATOM 194 CD1 LEU A 719 -2.097 8.859 4.960 1.00 41.33 C ATOM 195 CD2 LEU A 719 -1.343 11.198 5.400 1.00 63.43 C ATOM 0 H LEU A 719 -0.943 11.047 7.892 1.00 51.30 H new ATOM 0 HA LEU A 719 -1.750 8.402 7.410 1.00 72.13 H new ATOM 0 HB2 LEU A 719 0.694 9.999 6.612 1.00 13.13 H new ATOM 0 HB3 LEU A 719 0.448 8.346 6.083 1.00 13.13 H new ATOM 0 HG LEU A 719 -0.263 9.729 4.314 1.00 33.32 H new ATOM 0 HD11 LEU A 719 -2.671 9.234 4.113 1.00 41.33 H new ATOM 0 HD12 LEU A 719 -1.754 7.847 4.746 1.00 41.33 H new ATOM 0 HD13 LEU A 719 -2.727 8.849 5.849 1.00 41.33 H new ATOM 0 HD21 LEU A 719 -1.928 11.523 4.539 1.00 63.43 H new ATOM 0 HD22 LEU A 719 -1.953 11.268 6.301 1.00 63.43 H new ATOM 0 HD23 LEU A 719 -0.466 11.837 5.505 1.00 63.43 H new ATOM 207 N VAL A 720 0.781 8.804 9.451 1.00 41.12 N ATOM 208 CA VAL A 720 1.622 8.138 10.441 1.00 14.22 C ATOM 209 C VAL A 720 0.769 7.357 11.449 1.00 4.13 C ATOM 210 O VAL A 720 1.154 6.271 11.894 1.00 73.11 O ATOM 211 CB VAL A 720 2.511 9.149 11.198 1.00 65.44 C ATOM 212 CG1 VAL A 720 3.491 8.429 12.111 1.00 41.21 C ATOM 213 CG2 VAL A 720 3.251 10.054 10.225 1.00 74.35 C ATOM 0 H VAL A 720 0.844 9.822 9.462 1.00 41.12 H new ATOM 0 HA VAL A 720 2.264 7.443 9.900 1.00 14.22 H new ATOM 0 HB VAL A 720 1.863 9.771 11.816 1.00 65.44 H new ATOM 0 HG11 VAL A 720 4.107 9.161 12.634 1.00 41.21 H new ATOM 0 HG12 VAL A 720 2.940 7.833 12.838 1.00 41.21 H new ATOM 0 HG13 VAL A 720 4.130 7.776 11.516 1.00 41.21 H new ATOM 0 HG21 VAL A 720 3.870 10.757 10.782 1.00 74.35 H new ATOM 0 HG22 VAL A 720 3.883 9.449 9.575 1.00 74.35 H new ATOM 0 HG23 VAL A 720 2.530 10.605 9.620 1.00 74.35 H new ATOM 223 N ARG A 721 -0.395 7.903 11.801 1.00 10.32 N ATOM 224 CA ARG A 721 -1.288 7.226 12.743 1.00 13.24 C ATOM 225 C ARG A 721 -1.872 5.964 12.103 1.00 71.24 C ATOM 226 O ARG A 721 -2.172 4.988 12.790 1.00 0.34 O ATOM 227 CB ARG A 721 -2.412 8.163 13.222 1.00 23.24 C ATOM 228 CG ARG A 721 -3.692 8.098 12.398 1.00 40.42 C ATOM 229 CD ARG A 721 -4.668 9.193 12.793 1.00 34.40 C ATOM 230 NE ARG A 721 -5.933 9.094 12.067 1.00 31.04 N ATOM 231 CZ ARG A 721 -6.618 10.150 11.630 1.00 5.02 C ATOM 232 NH1 ARG A 721 -6.163 11.375 11.857 1.00 43.54 N ATOM 233 NH2 ARG A 721 -7.767 9.982 10.984 1.00 44.23 N ATOM 0 H ARG A 721 -0.739 8.799 11.455 1.00 10.32 H new ATOM 0 HA ARG A 721 -0.704 6.939 13.617 1.00 13.24 H new ATOM 0 HB2 ARG A 721 -2.651 7.921 14.258 1.00 23.24 H new ATOM 0 HB3 ARG A 721 -2.041 9.188 13.211 1.00 23.24 H new ATOM 0 HG2 ARG A 721 -3.449 8.191 11.340 1.00 40.42 H new ATOM 0 HG3 ARG A 721 -4.163 7.124 12.533 1.00 40.42 H new ATOM 0 HD2 ARG A 721 -4.861 9.136 13.864 1.00 34.40 H new ATOM 0 HD3 ARG A 721 -4.216 10.166 12.601 1.00 34.40 H new ATOM 0 HE ARG A 721 -6.312 8.165 11.885 1.00 31.04 H new ATOM 0 HH11 ARG A 721 -5.289 11.508 12.366 1.00 43.54 H new ATOM 0 HH12 ARG A 721 -6.687 12.184 11.523 1.00 43.54 H new ATOM 0 HH21 ARG A 721 -8.128 9.042 10.821 1.00 44.23 H new ATOM 0 HH22 ARG A 721 -8.288 10.793 10.651 1.00 44.23 H new ATOM 247 N TYR A 722 -2.003 5.983 10.781 1.00 54.22 N ATOM 248 CA TYR A 722 -2.506 4.826 10.052 1.00 42.24 C ATOM 249 C TYR A 722 -1.461 3.725 10.009 1.00 71.14 C ATOM 250 O TYR A 722 -1.799 2.547 10.015 1.00 32.11 O ATOM 251 CB TYR A 722 -2.939 5.210 8.639 1.00 20.04 C ATOM 252 CG TYR A 722 -4.232 5.991 8.603 1.00 42.23 C ATOM 253 CD1 TYR A 722 -5.457 5.342 8.680 1.00 72.24 C ATOM 254 CD2 TYR A 722 -4.229 7.373 8.492 1.00 43.35 C ATOM 255 CE1 TYR A 722 -6.642 6.051 8.645 1.00 64.34 C ATOM 256 CE2 TYR A 722 -5.406 8.089 8.461 1.00 20.30 C ATOM 257 CZ TYR A 722 -6.609 7.425 8.537 1.00 1.40 C ATOM 258 OH TYR A 722 -7.786 8.135 8.499 1.00 13.31 O ATOM 0 H TYR A 722 -1.769 6.784 10.195 1.00 54.22 H new ATOM 0 HA TYR A 722 -3.382 4.452 10.582 1.00 42.24 H new ATOM 0 HB2 TYR A 722 -2.151 5.802 8.173 1.00 20.04 H new ATOM 0 HB3 TYR A 722 -3.052 4.305 8.042 1.00 20.04 H new ATOM 0 HD1 TYR A 722 -5.484 4.266 8.769 1.00 72.24 H new ATOM 0 HD2 TYR A 722 -3.287 7.898 8.429 1.00 43.35 H new ATOM 0 HE1 TYR A 722 -7.588 5.533 8.702 1.00 64.34 H new ATOM 0 HE2 TYR A 722 -5.384 9.166 8.378 1.00 20.30 H new ATOM 0 HH TYR A 722 -7.589 9.092 8.422 1.00 13.31 H new ATOM 268 N LEU A 723 -0.190 4.112 9.983 1.00 71.01 N ATOM 269 CA LEU A 723 0.900 3.146 10.076 1.00 61.44 C ATOM 270 C LEU A 723 0.773 2.343 11.361 1.00 34.03 C ATOM 271 O LEU A 723 1.059 1.146 11.398 1.00 52.20 O ATOM 272 CB LEU A 723 2.257 3.850 10.049 1.00 54.13 C ATOM 273 CG LEU A 723 2.586 4.599 8.762 1.00 54.00 C ATOM 274 CD1 LEU A 723 3.948 5.260 8.876 1.00 44.12 C ATOM 275 CD2 LEU A 723 2.548 3.653 7.572 1.00 74.20 C ATOM 0 H LEU A 723 0.110 5.083 9.899 1.00 71.01 H new ATOM 0 HA LEU A 723 0.836 2.478 9.217 1.00 61.44 H new ATOM 0 HB2 LEU A 723 2.297 4.556 10.879 1.00 54.13 H new ATOM 0 HB3 LEU A 723 3.035 3.107 10.225 1.00 54.13 H new ATOM 0 HG LEU A 723 1.836 5.374 8.606 1.00 54.00 H new ATOM 0 HD11 LEU A 723 4.173 5.792 7.952 1.00 44.12 H new ATOM 0 HD12 LEU A 723 3.942 5.964 9.708 1.00 44.12 H new ATOM 0 HD13 LEU A 723 4.708 4.499 9.051 1.00 44.12 H new ATOM 0 HD21 LEU A 723 2.785 4.204 6.662 1.00 74.20 H new ATOM 0 HD22 LEU A 723 3.279 2.858 7.716 1.00 74.20 H new ATOM 0 HD23 LEU A 723 1.552 3.219 7.484 1.00 74.20 H new ATOM 287 N ASN A 724 0.332 3.024 12.411 1.00 30.30 N ATOM 288 CA ASN A 724 0.126 2.394 13.707 1.00 23.14 C ATOM 289 C ASN A 724 -1.057 1.427 13.678 1.00 13.22 C ATOM 290 O ASN A 724 -0.999 0.343 14.256 1.00 11.15 O ATOM 291 CB ASN A 724 -0.093 3.468 14.779 1.00 4.54 C ATOM 292 CG ASN A 724 -0.465 2.890 16.132 1.00 22.13 C ATOM 293 OD1 ASN A 724 0.403 2.503 16.913 1.00 3.40 O ATOM 294 ND2 ASN A 724 -1.756 2.848 16.426 1.00 31.13 N ATOM 0 H ASN A 724 0.109 4.019 12.389 1.00 30.30 H new ATOM 0 HA ASN A 724 1.019 1.818 13.949 1.00 23.14 H new ATOM 0 HB2 ASN A 724 0.815 4.062 14.881 1.00 4.54 H new ATOM 0 HB3 ASN A 724 -0.881 4.146 14.451 1.00 4.54 H new ATOM 0 HD21 ASN A 724 -2.062 2.485 17.329 1.00 31.13 H new ATOM 0 HD22 ASN A 724 -2.444 3.179 15.750 1.00 31.13 H new ATOM 301 N THR A 725 -2.127 1.816 12.998 1.00 31.11 N ATOM 302 CA THR A 725 -3.330 1.001 12.968 1.00 65.23 C ATOM 303 C THR A 725 -3.478 0.242 11.645 1.00 4.24 C ATOM 304 O THR A 725 -3.129 -0.937 11.556 1.00 23.33 O ATOM 305 CB THR A 725 -4.587 1.857 13.215 1.00 4.34 C ATOM 306 OG1 THR A 725 -4.449 2.587 14.443 1.00 5.12 O ATOM 307 CG2 THR A 725 -5.832 0.986 13.283 1.00 20.15 C ATOM 0 H THR A 725 -2.185 2.683 12.465 1.00 31.11 H new ATOM 0 HA THR A 725 -3.230 0.270 13.771 1.00 65.23 H new ATOM 0 HB THR A 725 -4.692 2.554 12.383 1.00 4.34 H new ATOM 0 HG1 THR A 725 -5.251 3.130 14.593 1.00 5.12 H new ATOM 0 HG21 THR A 725 -6.706 1.613 13.458 1.00 20.15 H new ATOM 0 HG22 THR A 725 -5.953 0.450 12.342 1.00 20.15 H new ATOM 0 HG23 THR A 725 -5.731 0.269 14.098 1.00 20.15 H new ATOM 315 N ASN A 726 -3.973 0.922 10.620 1.00 12.22 N ATOM 316 CA ASN A 726 -4.266 0.277 9.346 1.00 23.02 C ATOM 317 C ASN A 726 -3.759 1.120 8.184 1.00 40.43 C ATOM 318 O ASN A 726 -4.327 2.165 7.862 1.00 13.43 O ATOM 319 CB ASN A 726 -5.772 0.036 9.202 1.00 70.11 C ATOM 320 CG ASN A 726 -6.155 -0.521 7.842 1.00 55.33 C ATOM 321 OD1 ASN A 726 -5.382 -1.237 7.204 1.00 44.14 O ATOM 322 ND2 ASN A 726 -7.347 -0.179 7.382 1.00 54.14 N ATOM 0 H ASN A 726 -4.180 1.920 10.645 1.00 12.22 H new ATOM 0 HA ASN A 726 -3.752 -0.684 9.327 1.00 23.02 H new ATOM 0 HB2 ASN A 726 -6.100 -0.656 9.978 1.00 70.11 H new ATOM 0 HB3 ASN A 726 -6.302 0.974 9.367 1.00 70.11 H new ATOM 0 HD21 ASN A 726 -7.655 -0.510 6.468 1.00 54.14 H new ATOM 0 HD22 ASN A 726 -7.958 0.416 7.941 1.00 54.14 H new ATOM 329 N PRO A 727 -2.671 0.671 7.547 1.00 14.44 N ATOM 330 CA PRO A 727 -2.074 1.367 6.405 1.00 21.41 C ATOM 331 C PRO A 727 -3.022 1.457 5.213 1.00 44.43 C ATOM 332 O PRO A 727 -3.047 2.466 4.504 1.00 41.04 O ATOM 333 CB PRO A 727 -0.861 0.503 6.046 1.00 42.23 C ATOM 334 CG PRO A 727 -1.123 -0.825 6.668 1.00 43.13 C ATOM 335 CD PRO A 727 -1.924 -0.546 7.904 1.00 4.11 C ATOM 0 HA PRO A 727 -1.824 2.399 6.653 1.00 21.41 H new ATOM 0 HB2 PRO A 727 -0.747 0.415 4.966 1.00 42.23 H new ATOM 0 HB3 PRO A 727 0.061 0.941 6.429 1.00 42.23 H new ATOM 0 HG2 PRO A 727 -1.671 -1.475 5.986 1.00 43.13 H new ATOM 0 HG3 PRO A 727 -0.190 -1.333 6.913 1.00 43.13 H new ATOM 0 HD2 PRO A 727 -2.592 -1.373 8.147 1.00 4.11 H new ATOM 0 HD3 PRO A 727 -1.284 -0.387 8.772 1.00 4.11 H new ATOM 343 N VAL A 728 -3.812 0.405 5.008 1.00 34.33 N ATOM 344 CA VAL A 728 -4.721 0.339 3.869 1.00 74.15 C ATOM 345 C VAL A 728 -5.739 1.469 3.932 1.00 30.42 C ATOM 346 O VAL A 728 -5.965 2.172 2.945 1.00 41.31 O ATOM 347 CB VAL A 728 -5.459 -1.017 3.808 1.00 24.10 C ATOM 348 CG1 VAL A 728 -6.291 -1.121 2.539 1.00 45.43 C ATOM 349 CG2 VAL A 728 -4.471 -2.171 3.898 1.00 13.22 C ATOM 0 H VAL A 728 -3.840 -0.413 5.617 1.00 34.33 H new ATOM 0 HA VAL A 728 -4.118 0.443 2.967 1.00 74.15 H new ATOM 0 HB VAL A 728 -6.133 -1.076 4.663 1.00 24.10 H new ATOM 0 HG11 VAL A 728 -6.802 -2.084 2.517 1.00 45.43 H new ATOM 0 HG12 VAL A 728 -7.028 -0.318 2.520 1.00 45.43 H new ATOM 0 HG13 VAL A 728 -5.640 -1.036 1.669 1.00 45.43 H new ATOM 0 HG21 VAL A 728 -5.011 -3.117 3.853 1.00 13.22 H new ATOM 0 HG22 VAL A 728 -3.769 -2.114 3.066 1.00 13.22 H new ATOM 0 HG23 VAL A 728 -3.924 -2.110 4.839 1.00 13.22 H new ATOM 359 N GLY A 729 -6.330 1.655 5.105 1.00 54.13 N ATOM 360 CA GLY A 729 -7.291 2.721 5.293 1.00 44.35 C ATOM 361 C GLY A 729 -6.680 4.084 5.057 1.00 43.04 C ATOM 362 O GLY A 729 -7.328 4.974 4.506 1.00 73.15 O ATOM 0 H GLY A 729 -6.159 1.083 5.932 1.00 54.13 H new ATOM 0 HA2 GLY A 729 -8.130 2.577 4.612 1.00 44.35 H new ATOM 0 HA3 GLY A 729 -7.691 2.674 6.306 1.00 44.35 H new ATOM 366 N GLY A 730 -5.425 4.235 5.458 1.00 75.04 N ATOM 367 CA GLY A 730 -4.729 5.492 5.280 1.00 74.44 C ATOM 368 C GLY A 730 -4.452 5.800 3.826 1.00 13.33 C ATOM 369 O GLY A 730 -4.677 6.915 3.370 1.00 62.41 O ATOM 0 H GLY A 730 -4.874 3.503 5.906 1.00 75.04 H new ATOM 0 HA2 GLY A 730 -5.324 6.297 5.712 1.00 74.44 H new ATOM 0 HA3 GLY A 730 -3.787 5.463 5.828 1.00 74.44 H new ATOM 373 N LEU A 731 -3.975 4.807 3.089 1.00 33.12 N ATOM 374 CA LEU A 731 -3.662 4.990 1.678 1.00 72.14 C ATOM 375 C LEU A 731 -4.937 5.299 0.894 1.00 0.03 C ATOM 376 O LEU A 731 -4.951 6.173 0.024 1.00 23.34 O ATOM 377 CB LEU A 731 -2.956 3.735 1.134 1.00 2.00 C ATOM 378 CG LEU A 731 -2.231 3.888 -0.217 1.00 50.43 C ATOM 379 CD1 LEU A 731 -3.202 3.800 -1.383 1.00 31.31 C ATOM 380 CD2 LEU A 731 -1.462 5.201 -0.265 1.00 21.44 C ATOM 0 H LEU A 731 -3.796 3.867 3.444 1.00 33.12 H new ATOM 0 HA LEU A 731 -2.985 5.837 1.561 1.00 72.14 H new ATOM 0 HB2 LEU A 731 -2.230 3.403 1.876 1.00 2.00 H new ATOM 0 HB3 LEU A 731 -3.697 2.942 1.036 1.00 2.00 H new ATOM 0 HG LEU A 731 -1.524 3.063 -0.308 1.00 50.43 H new ATOM 0 HD11 LEU A 731 -2.657 3.912 -2.320 1.00 31.31 H new ATOM 0 HD12 LEU A 731 -3.702 2.832 -1.368 1.00 31.31 H new ATOM 0 HD13 LEU A 731 -3.945 4.593 -1.299 1.00 31.31 H new ATOM 0 HD21 LEU A 731 -0.956 5.292 -1.226 1.00 21.44 H new ATOM 0 HD22 LEU A 731 -2.155 6.033 -0.139 1.00 21.44 H new ATOM 0 HD23 LEU A 731 -0.723 5.220 0.536 1.00 21.44 H new ATOM 392 N LEU A 732 -6.013 4.596 1.226 1.00 11.12 N ATOM 393 CA LEU A 732 -7.295 4.791 0.559 1.00 51.04 C ATOM 394 C LEU A 732 -7.884 6.164 0.870 1.00 31.22 C ATOM 395 O LEU A 732 -8.562 6.761 0.029 1.00 63.41 O ATOM 396 CB LEU A 732 -8.283 3.698 0.973 1.00 12.23 C ATOM 397 CG LEU A 732 -7.938 2.292 0.482 1.00 74.23 C ATOM 398 CD1 LEU A 732 -8.909 1.276 1.057 1.00 51.24 C ATOM 399 CD2 LEU A 732 -7.954 2.238 -1.039 1.00 73.43 C ATOM 0 H LEU A 732 -6.023 3.883 1.956 1.00 11.12 H new ATOM 0 HA LEU A 732 -7.119 4.731 -0.515 1.00 51.04 H new ATOM 0 HB2 LEU A 732 -8.347 3.681 2.061 1.00 12.23 H new ATOM 0 HB3 LEU A 732 -9.272 3.964 0.600 1.00 12.23 H new ATOM 0 HG LEU A 732 -6.933 2.045 0.826 1.00 74.23 H new ATOM 0 HD11 LEU A 732 -8.649 0.280 0.697 1.00 51.24 H new ATOM 0 HD12 LEU A 732 -8.853 1.295 2.145 1.00 51.24 H new ATOM 0 HD13 LEU A 732 -9.923 1.523 0.741 1.00 51.24 H new ATOM 0 HD21 LEU A 732 -7.706 1.229 -1.370 1.00 73.43 H new ATOM 0 HD22 LEU A 732 -8.946 2.505 -1.402 1.00 73.43 H new ATOM 0 HD23 LEU A 732 -7.221 2.940 -1.436 1.00 73.43 H new ATOM 411 N GLU A 733 -7.633 6.672 2.069 1.00 71.33 N ATOM 412 CA GLU A 733 -8.189 7.956 2.458 1.00 52.13 C ATOM 413 C GLU A 733 -7.294 9.095 1.974 1.00 43.53 C ATOM 414 O GLU A 733 -7.782 10.166 1.612 1.00 11.43 O ATOM 415 CB GLU A 733 -8.428 8.009 3.977 1.00 52.44 C ATOM 416 CG GLU A 733 -7.187 8.219 4.831 1.00 24.33 C ATOM 417 CD GLU A 733 -6.869 9.684 5.031 1.00 33.42 C ATOM 418 OE1 GLU A 733 -7.784 10.441 5.421 1.00 72.22 O ATOM 419 OE2 GLU A 733 -5.720 10.094 4.785 1.00 75.25 O ATOM 0 H GLU A 733 -7.056 6.221 2.779 1.00 71.33 H new ATOM 0 HA GLU A 733 -9.160 8.080 1.978 1.00 52.13 H new ATOM 0 HB2 GLU A 733 -9.133 8.813 4.188 1.00 52.44 H new ATOM 0 HB3 GLU A 733 -8.905 7.078 4.284 1.00 52.44 H new ATOM 0 HG2 GLU A 733 -7.332 7.745 5.802 1.00 24.33 H new ATOM 0 HG3 GLU A 733 -6.337 7.726 4.360 1.00 24.33 H new ATOM 426 N TYR A 734 -5.985 8.854 1.948 1.00 55.44 N ATOM 427 CA TYR A 734 -5.043 9.818 1.398 1.00 32.45 C ATOM 428 C TYR A 734 -5.428 10.184 -0.028 1.00 33.13 C ATOM 429 O TYR A 734 -5.448 11.361 -0.395 1.00 13.30 O ATOM 430 CB TYR A 734 -3.613 9.256 1.430 1.00 42.33 C ATOM 431 CG TYR A 734 -2.702 9.848 0.374 1.00 72.31 C ATOM 432 CD1 TYR A 734 -2.030 11.048 0.581 1.00 74.02 C ATOM 433 CD2 TYR A 734 -2.531 9.204 -0.844 1.00 75.41 C ATOM 434 CE1 TYR A 734 -1.214 11.582 -0.399 1.00 11.41 C ATOM 435 CE2 TYR A 734 -1.721 9.735 -1.824 1.00 51.33 C ATOM 436 CZ TYR A 734 -1.064 10.922 -1.598 1.00 15.32 C ATOM 437 OH TYR A 734 -0.263 11.456 -2.580 1.00 35.45 O ATOM 0 H TYR A 734 -5.556 7.999 2.302 1.00 55.44 H new ATOM 0 HA TYR A 734 -5.078 10.717 2.013 1.00 32.45 H new ATOM 0 HB2 TYR A 734 -3.182 9.440 2.414 1.00 42.33 H new ATOM 0 HB3 TYR A 734 -3.654 8.175 1.297 1.00 42.33 H new ATOM 0 HD1 TYR A 734 -2.147 11.569 1.519 1.00 74.02 H new ATOM 0 HD2 TYR A 734 -3.042 8.270 -1.027 1.00 75.41 H new ATOM 0 HE1 TYR A 734 -0.696 12.514 -0.225 1.00 11.41 H new ATOM 0 HE2 TYR A 734 -1.602 9.221 -2.766 1.00 51.33 H new ATOM 0 HH TYR A 734 -0.265 10.865 -3.362 1.00 35.45 H new ATOM 447 N ALA A 735 -5.757 9.174 -0.821 1.00 24.15 N ATOM 448 CA ALA A 735 -6.064 9.385 -2.221 1.00 20.20 C ATOM 449 C ALA A 735 -7.328 10.215 -2.364 1.00 53.24 C ATOM 450 O ALA A 735 -7.321 11.259 -3.010 1.00 21.34 O ATOM 451 CB ALA A 735 -6.205 8.056 -2.943 1.00 62.04 C ATOM 0 H ALA A 735 -5.817 8.203 -0.515 1.00 24.15 H new ATOM 0 HA ALA A 735 -5.240 9.933 -2.679 1.00 20.20 H new ATOM 0 HB1 ALA A 735 -6.436 8.235 -3.993 1.00 62.04 H new ATOM 0 HB2 ALA A 735 -5.271 7.499 -2.866 1.00 62.04 H new ATOM 0 HB3 ALA A 735 -7.010 7.478 -2.488 1.00 62.04 H new ATOM 457 N ARG A 736 -8.391 9.771 -1.709 1.00 31.33 N ATOM 458 CA ARG A 736 -9.688 10.430 -1.808 1.00 21.23 C ATOM 459 C ARG A 736 -9.605 11.878 -1.317 1.00 52.14 C ATOM 460 O ARG A 736 -10.208 12.778 -1.898 1.00 34.52 O ATOM 461 CB ARG A 736 -10.730 9.639 -1.008 1.00 3.52 C ATOM 462 CG ARG A 736 -10.644 9.829 0.498 1.00 22.30 C ATOM 463 CD ARG A 736 -11.692 9.015 1.236 1.00 41.31 C ATOM 464 NE ARG A 736 -11.596 9.204 2.684 1.00 60.23 N ATOM 465 CZ ARG A 736 -12.303 8.518 3.582 1.00 32.34 C ATOM 466 NH1 ARG A 736 -13.155 7.576 3.196 1.00 24.24 N ATOM 467 NH2 ARG A 736 -12.152 8.771 4.874 1.00 24.30 N ATOM 0 H ARG A 736 -8.382 8.953 -1.100 1.00 31.33 H new ATOM 0 HA ARG A 736 -9.992 10.455 -2.855 1.00 21.23 H new ATOM 0 HB2 ARG A 736 -11.725 9.932 -1.342 1.00 3.52 H new ATOM 0 HB3 ARG A 736 -10.616 8.579 -1.235 1.00 3.52 H new ATOM 0 HG2 ARG A 736 -9.651 9.540 0.844 1.00 22.30 H new ATOM 0 HG3 ARG A 736 -10.770 10.885 0.738 1.00 22.30 H new ATOM 0 HD2 ARG A 736 -12.686 9.305 0.895 1.00 41.31 H new ATOM 0 HD3 ARG A 736 -11.569 7.959 0.997 1.00 41.31 H new ATOM 0 HE ARG A 736 -10.944 9.908 3.029 1.00 60.23 H new ATOM 0 HH11 ARG A 736 -13.274 7.371 2.204 1.00 24.24 H new ATOM 0 HH12 ARG A 736 -13.691 7.057 3.892 1.00 24.24 H new ATOM 0 HH21 ARG A 736 -11.496 9.490 5.180 1.00 24.30 H new ATOM 0 HH22 ARG A 736 -12.692 8.247 5.563 1.00 24.30 H new ATOM 481 N SER A 737 -8.823 12.089 -0.272 1.00 71.42 N ATOM 482 CA SER A 737 -8.653 13.411 0.319 1.00 12.45 C ATOM 483 C SER A 737 -7.853 14.336 -0.600 1.00 31.11 C ATOM 484 O SER A 737 -8.081 15.546 -0.630 1.00 61.31 O ATOM 485 CB SER A 737 -7.956 13.267 1.677 1.00 54.44 C ATOM 486 OG SER A 737 -7.590 14.520 2.232 1.00 75.22 O ATOM 0 H SER A 737 -8.289 11.354 0.191 1.00 71.42 H new ATOM 0 HA SER A 737 -9.635 13.863 0.456 1.00 12.45 H new ATOM 0 HB2 SER A 737 -8.618 12.746 2.369 1.00 54.44 H new ATOM 0 HB3 SER A 737 -7.065 12.650 1.562 1.00 54.44 H new ATOM 0 HG SER A 737 -6.637 14.684 2.070 1.00 75.22 H new ATOM 492 N HIS A 738 -6.923 13.767 -1.358 1.00 42.34 N ATOM 493 CA HIS A 738 -6.037 14.565 -2.204 1.00 33.34 C ATOM 494 C HIS A 738 -6.538 14.627 -3.646 1.00 41.51 C ATOM 495 O HIS A 738 -6.006 15.377 -4.465 1.00 10.21 O ATOM 496 CB HIS A 738 -4.612 14.007 -2.167 1.00 62.31 C ATOM 497 CG HIS A 738 -3.897 14.230 -0.865 1.00 31.00 C ATOM 498 ND1 HIS A 738 -2.586 14.645 -0.789 1.00 24.53 N ATOM 499 CD2 HIS A 738 -4.305 14.055 0.418 1.00 62.34 C ATOM 500 CE1 HIS A 738 -2.217 14.706 0.478 1.00 22.34 C ATOM 501 NE2 HIS A 738 -3.242 14.355 1.226 1.00 74.44 N ATOM 0 H HIS A 738 -6.761 12.761 -1.406 1.00 42.34 H new ATOM 0 HA HIS A 738 -6.033 15.580 -1.806 1.00 33.34 H new ATOM 0 HB2 HIS A 738 -4.648 12.937 -2.370 1.00 62.31 H new ATOM 0 HB3 HIS A 738 -4.034 14.465 -2.969 1.00 62.31 H new ATOM 0 HD2 HIS A 738 -5.286 13.738 0.741 1.00 62.34 H new ATOM 0 HE1 HIS A 738 -1.241 14.995 0.839 1.00 22.34 H new ATOM 0 HE2 HIS A 738 -3.244 14.313 2.245 1.00 74.44 H new ATOM 510 N GLY A 739 -7.554 13.834 -3.958 1.00 1.32 N ATOM 511 CA GLY A 739 -8.144 13.875 -5.283 1.00 33.34 C ATOM 512 C GLY A 739 -7.627 12.779 -6.195 1.00 52.13 C ATOM 513 O GLY A 739 -7.899 12.782 -7.394 1.00 4.14 O ATOM 0 H GLY A 739 -7.980 13.163 -3.319 1.00 1.32 H new ATOM 0 HA2 GLY A 739 -9.227 13.787 -5.196 1.00 33.34 H new ATOM 0 HA3 GLY A 739 -7.939 14.845 -5.737 1.00 33.34 H new ATOM 517 N PHE A 740 -6.880 11.845 -5.628 1.00 42.20 N ATOM 518 CA PHE A 740 -6.362 10.713 -6.387 1.00 23.33 C ATOM 519 C PHE A 740 -7.271 9.505 -6.214 1.00 1.31 C ATOM 520 O PHE A 740 -8.180 9.515 -5.382 1.00 72.14 O ATOM 521 CB PHE A 740 -4.950 10.347 -5.925 1.00 21.14 C ATOM 522 CG PHE A 740 -3.939 11.446 -6.080 1.00 33.42 C ATOM 523 CD1 PHE A 740 -3.332 11.677 -7.303 1.00 23.24 C ATOM 524 CD2 PHE A 740 -3.591 12.238 -5.002 1.00 44.21 C ATOM 525 CE1 PHE A 740 -2.395 12.683 -7.445 1.00 72.32 C ATOM 526 CE2 PHE A 740 -2.654 13.246 -5.138 1.00 34.52 C ATOM 527 CZ PHE A 740 -2.056 13.467 -6.362 1.00 25.44 C ATOM 0 H PHE A 740 -6.617 11.847 -4.642 1.00 42.20 H new ATOM 0 HA PHE A 740 -6.329 11.001 -7.438 1.00 23.33 H new ATOM 0 HB2 PHE A 740 -4.990 10.052 -4.876 1.00 21.14 H new ATOM 0 HB3 PHE A 740 -4.611 9.477 -6.488 1.00 21.14 H new ATOM 0 HD1 PHE A 740 -3.593 11.065 -8.154 1.00 23.24 H new ATOM 0 HD2 PHE A 740 -4.056 12.068 -4.042 1.00 44.21 H new ATOM 0 HE1 PHE A 740 -1.928 12.855 -8.404 1.00 72.32 H new ATOM 0 HE2 PHE A 740 -2.391 13.859 -4.288 1.00 34.52 H new ATOM 0 HZ PHE A 740 -1.323 14.253 -6.472 1.00 25.44 H new ATOM 537 N ALA A 741 -7.026 8.473 -7.002 1.00 13.22 N ATOM 538 CA ALA A 741 -7.715 7.202 -6.837 1.00 34.40 C ATOM 539 C ALA A 741 -6.706 6.115 -6.491 1.00 43.24 C ATOM 540 O ALA A 741 -5.692 5.968 -7.177 1.00 13.24 O ATOM 541 CB ALA A 741 -8.487 6.841 -8.096 1.00 32.24 C ATOM 0 H ALA A 741 -6.352 8.489 -7.767 1.00 13.22 H new ATOM 0 HA ALA A 741 -8.432 7.291 -6.021 1.00 34.40 H new ATOM 0 HB1 ALA A 741 -8.994 5.887 -7.951 1.00 32.24 H new ATOM 0 HB2 ALA A 741 -9.224 7.616 -8.306 1.00 32.24 H new ATOM 0 HB3 ALA A 741 -7.797 6.760 -8.936 1.00 32.24 H new ATOM 547 N ALA A 742 -6.981 5.366 -5.434 1.00 71.34 N ATOM 548 CA ALA A 742 -6.047 4.365 -4.939 1.00 43.25 C ATOM 549 C ALA A 742 -6.447 2.966 -5.384 1.00 1.34 C ATOM 550 O ALA A 742 -7.548 2.494 -5.081 1.00 0.43 O ATOM 551 CB ALA A 742 -5.963 4.431 -3.424 1.00 45.12 C ATOM 0 H ALA A 742 -7.847 5.433 -4.900 1.00 71.34 H new ATOM 0 HA ALA A 742 -5.066 4.583 -5.361 1.00 43.25 H new ATOM 0 HB1 ALA A 742 -5.262 3.678 -3.065 1.00 45.12 H new ATOM 0 HB2 ALA A 742 -5.619 5.420 -3.121 1.00 45.12 H new ATOM 0 HB3 ALA A 742 -6.948 4.242 -2.996 1.00 45.12 H new ATOM 557 N GLU A 743 -5.557 2.306 -6.103 1.00 73.13 N ATOM 558 CA GLU A 743 -5.821 0.960 -6.593 1.00 54.11 C ATOM 559 C GLU A 743 -4.761 -0.016 -6.102 1.00 3.32 C ATOM 560 O GLU A 743 -3.567 0.277 -6.137 1.00 11.21 O ATOM 561 CB GLU A 743 -5.869 0.936 -8.121 1.00 24.44 C ATOM 562 CG GLU A 743 -6.941 1.831 -8.712 1.00 53.32 C ATOM 563 CD GLU A 743 -7.125 1.616 -10.198 1.00 60.03 C ATOM 564 OE1 GLU A 743 -6.439 2.285 -10.998 1.00 44.35 O ATOM 565 OE2 GLU A 743 -7.958 0.766 -10.575 1.00 11.21 O ATOM 0 H GLU A 743 -4.643 2.678 -6.362 1.00 73.13 H new ATOM 0 HA GLU A 743 -6.791 0.654 -6.203 1.00 54.11 H new ATOM 0 HB2 GLU A 743 -4.898 1.241 -8.511 1.00 24.44 H new ATOM 0 HB3 GLU A 743 -6.039 -0.088 -8.454 1.00 24.44 H new ATOM 0 HG2 GLU A 743 -7.886 1.645 -8.202 1.00 53.32 H new ATOM 0 HG3 GLU A 743 -6.680 2.873 -8.529 1.00 53.32 H new ATOM 572 N PHE A 744 -5.209 -1.170 -5.644 1.00 25.52 N ATOM 573 CA PHE A 744 -4.310 -2.239 -5.234 1.00 75.22 C ATOM 574 C PHE A 744 -4.478 -3.422 -6.171 1.00 64.24 C ATOM 575 O PHE A 744 -5.408 -4.214 -6.020 1.00 52.13 O ATOM 576 CB PHE A 744 -4.601 -2.688 -3.798 1.00 40.01 C ATOM 577 CG PHE A 744 -4.282 -1.668 -2.744 1.00 52.34 C ATOM 578 CD1 PHE A 744 -5.233 -0.742 -2.346 1.00 44.14 C ATOM 579 CD2 PHE A 744 -3.037 -1.646 -2.141 1.00 22.22 C ATOM 580 CE1 PHE A 744 -4.946 0.189 -1.368 1.00 4.12 C ATOM 581 CE2 PHE A 744 -2.745 -0.720 -1.158 1.00 41.31 C ATOM 582 CZ PHE A 744 -3.701 0.199 -0.772 1.00 70.02 C ATOM 0 H PHE A 744 -6.199 -1.395 -5.545 1.00 25.52 H new ATOM 0 HA PHE A 744 -3.288 -1.863 -5.277 1.00 75.22 H new ATOM 0 HB2 PHE A 744 -5.656 -2.952 -3.721 1.00 40.01 H new ATOM 0 HB3 PHE A 744 -4.030 -3.593 -3.592 1.00 40.01 H new ATOM 0 HD1 PHE A 744 -6.210 -0.749 -2.806 1.00 44.14 H new ATOM 0 HD2 PHE A 744 -2.285 -2.360 -2.442 1.00 22.22 H new ATOM 0 HE1 PHE A 744 -5.694 0.908 -1.070 1.00 4.12 H new ATOM 0 HE2 PHE A 744 -1.771 -0.715 -0.692 1.00 41.31 H new ATOM 0 HZ PHE A 744 -3.475 0.925 -0.005 1.00 70.02 H new ATOM 592 N LYS A 745 -3.601 -3.539 -7.151 1.00 41.44 N ATOM 593 CA LYS A 745 -3.722 -4.614 -8.119 1.00 52.11 C ATOM 594 C LYS A 745 -2.563 -5.590 -8.004 1.00 44.21 C ATOM 595 O LYS A 745 -1.418 -5.194 -7.770 1.00 74.21 O ATOM 596 CB LYS A 745 -3.811 -4.072 -9.550 1.00 2.32 C ATOM 597 CG LYS A 745 -2.561 -3.354 -10.031 1.00 44.32 C ATOM 598 CD LYS A 745 -2.551 -3.230 -11.548 1.00 14.32 C ATOM 599 CE LYS A 745 -3.720 -2.399 -12.060 1.00 54.44 C ATOM 600 NZ LYS A 745 -3.767 -2.373 -13.545 1.00 61.00 N ATOM 0 H LYS A 745 -2.809 -2.914 -7.297 1.00 41.44 H new ATOM 0 HA LYS A 745 -4.647 -5.145 -7.895 1.00 52.11 H new ATOM 0 HB2 LYS A 745 -4.022 -4.900 -10.226 1.00 2.32 H new ATOM 0 HB3 LYS A 745 -4.656 -3.386 -9.613 1.00 2.32 H new ATOM 0 HG2 LYS A 745 -2.512 -2.362 -9.581 1.00 44.32 H new ATOM 0 HG3 LYS A 745 -1.676 -3.898 -9.701 1.00 44.32 H new ATOM 0 HD2 LYS A 745 -1.614 -2.774 -11.868 1.00 14.32 H new ATOM 0 HD3 LYS A 745 -2.590 -4.224 -11.993 1.00 14.32 H new ATOM 0 HE2 LYS A 745 -4.654 -2.807 -11.673 1.00 54.44 H new ATOM 0 HE3 LYS A 745 -3.636 -1.381 -11.681 1.00 54.44 H new ATOM 0 HZ1 LYS A 745 -4.545 -1.757 -13.857 1.00 61.00 H new ATOM 0 HZ2 LYS A 745 -2.866 -2.008 -13.914 1.00 61.00 H new ATOM 0 HZ3 LYS A 745 -3.923 -3.336 -13.904 1.00 61.00 H new ATOM 614 N LEU A 746 -2.874 -6.868 -8.149 1.00 33.04 N ATOM 615 CA LEU A 746 -1.858 -7.898 -8.187 1.00 40.21 C ATOM 616 C LEU A 746 -1.150 -7.858 -9.534 1.00 4.12 C ATOM 617 O LEU A 746 -1.772 -8.075 -10.575 1.00 74.34 O ATOM 618 CB LEU A 746 -2.490 -9.274 -7.962 1.00 51.25 C ATOM 619 CG LEU A 746 -1.510 -10.447 -7.933 1.00 44.42 C ATOM 620 CD1 LEU A 746 -0.543 -10.303 -6.771 1.00 74.14 C ATOM 621 CD2 LEU A 746 -2.261 -11.765 -7.843 1.00 3.55 C ATOM 0 H LEU A 746 -3.829 -7.215 -8.243 1.00 33.04 H new ATOM 0 HA LEU A 746 -1.133 -7.718 -7.393 1.00 40.21 H new ATOM 0 HB2 LEU A 746 -3.036 -9.255 -7.019 1.00 51.25 H new ATOM 0 HB3 LEU A 746 -3.222 -9.453 -8.750 1.00 51.25 H new ATOM 0 HG LEU A 746 -0.936 -10.441 -8.860 1.00 44.42 H new ATOM 0 HD11 LEU A 746 0.147 -11.146 -6.765 1.00 74.14 H new ATOM 0 HD12 LEU A 746 0.019 -9.375 -6.878 1.00 74.14 H new ATOM 0 HD13 LEU A 746 -1.100 -10.284 -5.834 1.00 74.14 H new ATOM 0 HD21 LEU A 746 -1.548 -12.589 -7.823 1.00 3.55 H new ATOM 0 HD22 LEU A 746 -2.860 -11.781 -6.932 1.00 3.55 H new ATOM 0 HD23 LEU A 746 -2.915 -11.871 -8.709 1.00 3.55 H new ATOM 633 N VAL A 747 0.136 -7.553 -9.513 1.00 52.40 N ATOM 634 CA VAL A 747 0.922 -7.490 -10.733 1.00 23.13 C ATOM 635 C VAL A 747 1.222 -8.897 -11.222 1.00 3.32 C ATOM 636 O VAL A 747 0.992 -9.223 -12.387 1.00 50.32 O ATOM 637 CB VAL A 747 2.247 -6.727 -10.520 1.00 11.32 C ATOM 638 CG1 VAL A 747 3.044 -6.648 -11.815 1.00 61.31 C ATOM 639 CG2 VAL A 747 1.975 -5.334 -9.974 1.00 55.42 C ATOM 0 H VAL A 747 0.659 -7.345 -8.662 1.00 52.40 H new ATOM 0 HA VAL A 747 0.337 -6.950 -11.478 1.00 23.13 H new ATOM 0 HB VAL A 747 2.842 -7.276 -9.790 1.00 11.32 H new ATOM 0 HG11 VAL A 747 3.973 -6.106 -11.638 1.00 61.31 H new ATOM 0 HG12 VAL A 747 3.273 -7.655 -12.164 1.00 61.31 H new ATOM 0 HG13 VAL A 747 2.458 -6.126 -12.572 1.00 61.31 H new ATOM 0 HG21 VAL A 747 2.919 -4.809 -9.829 1.00 55.42 H new ATOM 0 HG22 VAL A 747 1.357 -4.781 -10.681 1.00 55.42 H new ATOM 0 HG23 VAL A 747 1.454 -5.413 -9.020 1.00 55.42 H new ATOM 649 N ASP A 748 1.714 -9.731 -10.316 1.00 4.13 N ATOM 650 CA ASP A 748 2.018 -11.119 -10.639 1.00 45.40 C ATOM 651 C ASP A 748 2.256 -11.904 -9.355 1.00 4.13 C ATOM 652 O ASP A 748 2.100 -11.372 -8.256 1.00 73.52 O ATOM 653 CB ASP A 748 3.250 -11.206 -11.551 1.00 70.43 C ATOM 654 CG ASP A 748 3.241 -12.442 -12.432 1.00 10.44 C ATOM 655 OD1 ASP A 748 3.651 -13.526 -11.960 1.00 64.40 O ATOM 656 OD2 ASP A 748 2.816 -12.338 -13.602 1.00 71.30 O ATOM 0 H ASP A 748 1.912 -9.470 -9.350 1.00 4.13 H new ATOM 0 HA ASP A 748 1.170 -11.550 -11.171 1.00 45.40 H new ATOM 0 HB2 ASP A 748 3.295 -10.317 -12.180 1.00 70.43 H new ATOM 0 HB3 ASP A 748 4.151 -11.208 -10.938 1.00 70.43 H new ATOM 661 N GLN A 749 2.635 -13.161 -9.494 1.00 1.25 N ATOM 662 CA GLN A 749 2.887 -14.025 -8.357 1.00 62.50 C ATOM 663 C GLN A 749 4.128 -14.861 -8.624 1.00 23.24 C ATOM 664 O GLN A 749 4.241 -15.497 -9.672 1.00 72.31 O ATOM 665 CB GLN A 749 1.685 -14.938 -8.110 1.00 24.33 C ATOM 666 CG GLN A 749 1.863 -15.884 -6.933 1.00 33.34 C ATOM 667 CD GLN A 749 0.734 -16.889 -6.822 1.00 1.42 C ATOM 668 OE1 GLN A 749 -0.451 -16.506 -7.268 1.00 61.31 O flip ATOM 669 NE2 GLN A 749 0.927 -18.008 -6.347 1.00 74.00 N flip ATOM 0 H GLN A 749 2.777 -13.611 -10.398 1.00 1.25 H new ATOM 0 HA GLN A 749 3.046 -13.412 -7.470 1.00 62.50 H new ATOM 0 HB2 GLN A 749 0.802 -14.322 -7.938 1.00 24.33 H new ATOM 0 HB3 GLN A 749 1.495 -15.524 -9.009 1.00 24.33 H new ATOM 0 HG2 GLN A 749 2.809 -16.415 -7.037 1.00 33.34 H new ATOM 0 HG3 GLN A 749 1.922 -15.305 -6.011 1.00 33.34 H new ATOM 0 HE21 GLN A 749 1.855 -18.267 -6.013 1.00 74.00 H new ATOM 0 HE22 GLN A 749 0.159 -18.676 -6.287 1.00 74.00 H new ATOM 678 N SER A 750 5.057 -14.857 -7.688 1.00 34.41 N ATOM 679 CA SER A 750 6.297 -15.582 -7.861 1.00 72.50 C ATOM 680 C SER A 750 6.663 -16.298 -6.567 1.00 41.20 C ATOM 681 O SER A 750 7.316 -15.725 -5.693 1.00 50.13 O ATOM 682 CB SER A 750 7.412 -14.616 -8.281 1.00 74.32 C ATOM 683 OG SER A 750 8.518 -15.306 -8.841 1.00 4.22 O ATOM 0 H SER A 750 4.975 -14.360 -6.801 1.00 34.41 H new ATOM 0 HA SER A 750 6.173 -16.328 -8.646 1.00 72.50 H new ATOM 0 HB2 SER A 750 7.022 -13.903 -9.007 1.00 74.32 H new ATOM 0 HB3 SER A 750 7.741 -14.041 -7.415 1.00 74.32 H new ATOM 0 HG SER A 750 9.209 -14.661 -9.099 1.00 4.22 H new ATOM 689 N GLY A 751 6.212 -17.535 -6.431 1.00 24.04 N ATOM 690 CA GLY A 751 6.511 -18.294 -5.239 1.00 63.44 C ATOM 691 C GLY A 751 5.899 -19.680 -5.266 1.00 34.12 C ATOM 692 O GLY A 751 4.898 -19.902 -5.948 1.00 22.52 O ATOM 0 H GLY A 751 5.646 -18.025 -7.124 1.00 24.04 H new ATOM 0 HA2 GLY A 751 7.592 -18.380 -5.128 1.00 63.44 H new ATOM 0 HA3 GLY A 751 6.143 -17.754 -4.366 1.00 63.44 H new ATOM 696 N PRO A 752 6.497 -20.630 -4.535 1.00 71.23 N ATOM 697 CA PRO A 752 5.992 -22.005 -4.431 1.00 31.43 C ATOM 698 C PRO A 752 4.647 -22.075 -3.701 1.00 31.12 C ATOM 699 O PRO A 752 4.223 -21.101 -3.089 1.00 32.12 O ATOM 700 CB PRO A 752 7.076 -22.720 -3.615 1.00 61.12 C ATOM 701 CG PRO A 752 7.767 -21.640 -2.862 1.00 43.12 C ATOM 702 CD PRO A 752 7.727 -20.432 -3.747 1.00 0.23 C ATOM 0 HA PRO A 752 5.812 -22.448 -5.410 1.00 31.43 H new ATOM 0 HB2 PRO A 752 6.640 -23.456 -2.939 1.00 61.12 H new ATOM 0 HB3 PRO A 752 7.770 -23.255 -4.264 1.00 61.12 H new ATOM 0 HG2 PRO A 752 7.268 -21.445 -1.913 1.00 43.12 H new ATOM 0 HG3 PRO A 752 8.794 -21.921 -2.631 1.00 43.12 H new ATOM 0 HD2 PRO A 752 7.689 -19.510 -3.167 1.00 0.23 H new ATOM 0 HD3 PRO A 752 8.608 -20.372 -4.385 1.00 0.23 H new ATOM 710 N PRO A 753 3.965 -23.233 -3.747 1.00 55.14 N ATOM 711 CA PRO A 753 2.668 -23.420 -3.078 1.00 20.10 C ATOM 712 C PRO A 753 2.728 -23.126 -1.578 1.00 22.12 C ATOM 713 O PRO A 753 1.766 -22.635 -0.989 1.00 45.43 O ATOM 714 CB PRO A 753 2.343 -24.903 -3.316 1.00 44.34 C ATOM 715 CG PRO A 753 3.624 -25.525 -3.755 1.00 4.20 C ATOM 716 CD PRO A 753 4.382 -24.444 -4.467 1.00 22.41 C ATOM 0 HA PRO A 753 1.916 -22.736 -3.471 1.00 20.10 H new ATOM 0 HB2 PRO A 753 1.969 -25.374 -2.407 1.00 44.34 H new ATOM 0 HB3 PRO A 753 1.570 -25.018 -4.076 1.00 44.34 H new ATOM 0 HG2 PRO A 753 4.188 -25.901 -2.902 1.00 4.20 H new ATOM 0 HG3 PRO A 753 3.441 -26.373 -4.415 1.00 4.20 H new ATOM 0 HD2 PRO A 753 5.459 -24.599 -4.410 1.00 22.41 H new ATOM 0 HD3 PRO A 753 4.123 -24.396 -5.525 1.00 22.41 H new ATOM 724 N HIS A 754 3.869 -23.417 -0.965 1.00 21.12 N ATOM 725 CA HIS A 754 4.041 -23.210 0.467 1.00 44.44 C ATOM 726 C HIS A 754 4.525 -21.794 0.770 1.00 11.20 C ATOM 727 O HIS A 754 4.651 -21.410 1.934 1.00 20.14 O ATOM 728 CB HIS A 754 5.020 -24.241 1.044 1.00 43.35 C ATOM 729 CG HIS A 754 6.385 -24.220 0.415 1.00 30.30 C ATOM 730 ND1 HIS A 754 6.658 -24.933 -0.729 1.00 22.14 N ATOM 731 CD2 HIS A 754 7.507 -23.570 0.808 1.00 2.32 C ATOM 732 CE1 HIS A 754 7.931 -24.703 -1.003 1.00 12.32 C ATOM 733 NE2 HIS A 754 8.482 -23.886 -0.101 1.00 63.50 N ATOM 0 H HIS A 754 4.689 -23.797 -1.438 1.00 21.12 H new ATOM 0 HA HIS A 754 3.069 -23.342 0.941 1.00 44.44 H new ATOM 0 HB2 HIS A 754 5.124 -24.066 2.115 1.00 43.35 H new ATOM 0 HB3 HIS A 754 4.593 -25.237 0.924 1.00 43.35 H new ATOM 0 HD2 HIS A 754 7.612 -22.928 1.670 1.00 2.32 H new ATOM 0 HE1 HIS A 754 8.458 -25.122 -1.848 1.00 12.32 H new ATOM 0 HE2 HIS A 754 9.448 -23.559 -0.091 1.00 63.50 H new ATOM 741 N GLU A 755 4.791 -21.025 -0.279 1.00 71.42 N ATOM 742 CA GLU A 755 5.279 -19.656 -0.135 1.00 33.23 C ATOM 743 C GLU A 755 4.888 -18.798 -1.337 1.00 43.35 C ATOM 744 O GLU A 755 5.757 -18.285 -2.047 1.00 31.33 O ATOM 745 CB GLU A 755 6.800 -19.649 0.024 1.00 64.51 C ATOM 746 CG GLU A 755 7.264 -19.671 1.468 1.00 61.12 C ATOM 747 CD GLU A 755 6.782 -18.460 2.236 1.00 13.33 C ATOM 748 OE1 GLU A 755 7.330 -17.359 2.018 1.00 33.10 O ATOM 749 OE2 GLU A 755 5.853 -18.601 3.061 1.00 34.50 O ATOM 0 H GLU A 755 4.676 -21.328 -1.246 1.00 71.42 H new ATOM 0 HA GLU A 755 4.817 -19.232 0.757 1.00 33.23 H new ATOM 0 HB2 GLU A 755 7.214 -20.514 -0.494 1.00 64.51 H new ATOM 0 HB3 GLU A 755 7.203 -18.762 -0.464 1.00 64.51 H new ATOM 0 HG2 GLU A 755 6.899 -20.577 1.952 1.00 61.12 H new ATOM 0 HG3 GLU A 755 8.353 -19.710 1.498 1.00 61.12 H new ATOM 756 N PRO A 756 3.579 -18.618 -1.579 1.00 41.04 N ATOM 757 CA PRO A 756 3.098 -17.861 -2.732 1.00 53.22 C ATOM 758 C PRO A 756 3.320 -16.364 -2.552 1.00 13.33 C ATOM 759 O PRO A 756 2.565 -15.689 -1.854 1.00 3.35 O ATOM 760 CB PRO A 756 1.608 -18.192 -2.783 1.00 70.25 C ATOM 761 CG PRO A 756 1.241 -18.517 -1.377 1.00 61.52 C ATOM 762 CD PRO A 756 2.470 -19.115 -0.742 1.00 14.42 C ATOM 0 HA PRO A 756 3.624 -18.121 -3.651 1.00 53.22 H new ATOM 0 HB2 PRO A 756 1.028 -17.349 -3.158 1.00 70.25 H new ATOM 0 HB3 PRO A 756 1.412 -19.034 -3.447 1.00 70.25 H new ATOM 0 HG2 PRO A 756 0.924 -17.622 -0.842 1.00 61.52 H new ATOM 0 HG3 PRO A 756 0.408 -19.219 -1.346 1.00 61.52 H new ATOM 0 HD2 PRO A 756 2.579 -18.797 0.295 1.00 14.42 H new ATOM 0 HD3 PRO A 756 2.429 -20.204 -0.739 1.00 14.42 H new ATOM 770 N LYS A 757 4.378 -15.854 -3.156 1.00 41.20 N ATOM 771 CA LYS A 757 4.715 -14.452 -3.020 1.00 12.34 C ATOM 772 C LYS A 757 3.982 -13.626 -4.069 1.00 31.20 C ATOM 773 O LYS A 757 4.295 -13.682 -5.261 1.00 1.13 O ATOM 774 CB LYS A 757 6.226 -14.255 -3.141 1.00 50.11 C ATOM 775 CG LYS A 757 6.699 -12.867 -2.744 1.00 3.42 C ATOM 776 CD LYS A 757 8.207 -12.727 -2.887 1.00 12.10 C ATOM 777 CE LYS A 757 8.953 -13.741 -2.036 1.00 14.53 C ATOM 778 NZ LYS A 757 10.426 -13.597 -2.164 1.00 12.40 N ATOM 0 H LYS A 757 5.016 -16.390 -3.744 1.00 41.20 H new ATOM 0 HA LYS A 757 4.401 -14.112 -2.033 1.00 12.34 H new ATOM 0 HB2 LYS A 757 6.730 -14.992 -2.516 1.00 50.11 H new ATOM 0 HB3 LYS A 757 6.527 -14.450 -4.170 1.00 50.11 H new ATOM 0 HG2 LYS A 757 6.203 -12.121 -3.366 1.00 3.42 H new ATOM 0 HG3 LYS A 757 6.410 -12.665 -1.713 1.00 3.42 H new ATOM 0 HD2 LYS A 757 8.486 -12.855 -3.933 1.00 12.10 H new ATOM 0 HD3 LYS A 757 8.507 -11.720 -2.598 1.00 12.10 H new ATOM 0 HE2 LYS A 757 8.666 -13.619 -0.992 1.00 14.53 H new ATOM 0 HE3 LYS A 757 8.660 -14.748 -2.332 1.00 14.53 H new ATOM 0 HZ1 LYS A 757 10.897 -14.307 -1.568 1.00 12.40 H new ATOM 0 HZ2 LYS A 757 10.704 -13.739 -3.156 1.00 12.40 H new ATOM 0 HZ3 LYS A 757 10.710 -12.644 -1.858 1.00 12.40 H new ATOM 792 N PHE A 758 2.997 -12.879 -3.610 1.00 21.03 N ATOM 793 CA PHE A 758 2.194 -12.039 -4.477 1.00 22.03 C ATOM 794 C PHE A 758 2.856 -10.680 -4.650 1.00 32.35 C ATOM 795 O PHE A 758 3.256 -10.049 -3.669 1.00 24.23 O ATOM 796 CB PHE A 758 0.790 -11.855 -3.891 1.00 11.24 C ATOM 797 CG PHE A 758 0.031 -13.139 -3.711 1.00 12.14 C ATOM 798 CD1 PHE A 758 0.151 -13.871 -2.543 1.00 22.22 C ATOM 799 CD2 PHE A 758 -0.805 -13.612 -4.710 1.00 22.12 C ATOM 800 CE1 PHE A 758 -0.545 -15.051 -2.371 1.00 74.24 C ATOM 801 CE2 PHE A 758 -1.504 -14.791 -4.544 1.00 41.31 C ATOM 802 CZ PHE A 758 -1.374 -15.512 -3.374 1.00 61.02 C ATOM 0 H PHE A 758 2.731 -12.837 -2.626 1.00 21.03 H new ATOM 0 HA PHE A 758 2.112 -12.526 -5.449 1.00 22.03 H new ATOM 0 HB2 PHE A 758 0.873 -11.355 -2.926 1.00 11.24 H new ATOM 0 HB3 PHE A 758 0.218 -11.195 -4.544 1.00 11.24 H new ATOM 0 HD1 PHE A 758 0.798 -13.514 -1.755 1.00 22.22 H new ATOM 0 HD2 PHE A 758 -0.911 -13.053 -5.628 1.00 22.12 H new ATOM 0 HE1 PHE A 758 -0.441 -15.612 -1.454 1.00 74.24 H new ATOM 0 HE2 PHE A 758 -2.153 -15.149 -5.330 1.00 41.31 H new ATOM 0 HZ PHE A 758 -1.920 -16.435 -3.244 1.00 61.02 H new ATOM 812 N VAL A 759 2.981 -10.244 -5.891 1.00 72.23 N ATOM 813 CA VAL A 759 3.549 -8.941 -6.186 1.00 11.33 C ATOM 814 C VAL A 759 2.434 -7.916 -6.350 1.00 75.35 C ATOM 815 O VAL A 759 1.736 -7.903 -7.367 1.00 51.52 O ATOM 816 CB VAL A 759 4.415 -8.969 -7.464 1.00 74.40 C ATOM 817 CG1 VAL A 759 5.079 -7.619 -7.696 1.00 51.33 C ATOM 818 CG2 VAL A 759 5.459 -10.074 -7.382 1.00 1.32 C ATOM 0 H VAL A 759 2.696 -10.776 -6.713 1.00 72.23 H new ATOM 0 HA VAL A 759 4.191 -8.664 -5.350 1.00 11.33 H new ATOM 0 HB VAL A 759 3.763 -9.177 -8.312 1.00 74.40 H new ATOM 0 HG11 VAL A 759 5.684 -7.662 -8.602 1.00 51.33 H new ATOM 0 HG12 VAL A 759 4.313 -6.851 -7.807 1.00 51.33 H new ATOM 0 HG13 VAL A 759 5.716 -7.376 -6.845 1.00 51.33 H new ATOM 0 HG21 VAL A 759 6.058 -10.076 -8.292 1.00 1.32 H new ATOM 0 HG22 VAL A 759 6.106 -9.900 -6.522 1.00 1.32 H new ATOM 0 HG23 VAL A 759 4.961 -11.038 -7.273 1.00 1.32 H new ATOM 828 N TYR A 760 2.258 -7.082 -5.338 1.00 10.22 N ATOM 829 CA TYR A 760 1.220 -6.061 -5.349 1.00 42.44 C ATOM 830 C TYR A 760 1.824 -4.686 -5.572 1.00 33.41 C ATOM 831 O TYR A 760 2.872 -4.361 -5.017 1.00 2.34 O ATOM 832 CB TYR A 760 0.437 -6.068 -4.035 1.00 31.15 C ATOM 833 CG TYR A 760 -0.871 -6.822 -4.102 1.00 62.34 C ATOM 834 CD1 TYR A 760 -2.032 -6.187 -4.524 1.00 32.22 C ATOM 835 CD2 TYR A 760 -0.950 -8.162 -3.742 1.00 70.32 C ATOM 836 CE1 TYR A 760 -3.234 -6.861 -4.586 1.00 21.45 C ATOM 837 CE2 TYR A 760 -2.153 -8.845 -3.802 1.00 63.44 C ATOM 838 CZ TYR A 760 -3.289 -8.189 -4.225 1.00 24.40 C ATOM 839 OH TYR A 760 -4.487 -8.864 -4.286 1.00 2.33 O ATOM 0 H TYR A 760 2.826 -7.092 -4.491 1.00 10.22 H new ATOM 0 HA TYR A 760 0.538 -6.289 -6.168 1.00 42.44 H new ATOM 0 HB2 TYR A 760 1.059 -6.509 -3.256 1.00 31.15 H new ATOM 0 HB3 TYR A 760 0.236 -5.039 -3.738 1.00 31.15 H new ATOM 0 HD1 TYR A 760 -1.993 -5.146 -4.809 1.00 32.22 H new ATOM 0 HD2 TYR A 760 -0.061 -8.678 -3.411 1.00 70.32 H new ATOM 0 HE1 TYR A 760 -4.127 -6.350 -4.916 1.00 21.45 H new ATOM 0 HE2 TYR A 760 -2.201 -9.886 -3.519 1.00 63.44 H new ATOM 0 HH TYR A 760 -4.364 -9.704 -4.775 1.00 2.33 H new ATOM 849 N GLN A 761 1.161 -3.883 -6.386 1.00 11.42 N ATOM 850 CA GLN A 761 1.610 -2.528 -6.642 1.00 52.30 C ATOM 851 C GLN A 761 0.459 -1.560 -6.420 1.00 22.32 C ATOM 852 O GLN A 761 -0.641 -1.761 -6.944 1.00 13.31 O ATOM 853 CB GLN A 761 2.145 -2.404 -8.070 1.00 43.45 C ATOM 854 CG GLN A 761 2.952 -1.141 -8.322 1.00 1.13 C ATOM 855 CD GLN A 761 3.521 -1.089 -9.726 1.00 12.23 C ATOM 856 OE1 GLN A 761 2.928 -1.610 -10.672 1.00 14.45 O ATOM 857 NE2 GLN A 761 4.686 -0.476 -9.873 1.00 65.13 N ATOM 0 H GLN A 761 0.309 -4.147 -6.881 1.00 11.42 H new ATOM 0 HA GLN A 761 2.419 -2.284 -5.953 1.00 52.30 H new ATOM 0 HB2 GLN A 761 2.768 -3.271 -8.290 1.00 43.45 H new ATOM 0 HB3 GLN A 761 1.306 -2.431 -8.765 1.00 43.45 H new ATOM 0 HG2 GLN A 761 2.318 -0.269 -8.157 1.00 1.13 H new ATOM 0 HG3 GLN A 761 3.767 -1.084 -7.600 1.00 1.13 H new ATOM 0 HE21 GLN A 761 5.147 -0.056 -9.066 1.00 65.13 H new ATOM 0 HE22 GLN A 761 5.122 -0.424 -10.794 1.00 65.13 H new ATOM 866 N ALA A 762 0.705 -0.531 -5.626 1.00 51.34 N ATOM 867 CA ALA A 762 -0.316 0.457 -5.330 1.00 4.42 C ATOM 868 C ALA A 762 -0.319 1.550 -6.388 1.00 13.52 C ATOM 869 O ALA A 762 0.692 2.202 -6.631 1.00 44.04 O ATOM 870 CB ALA A 762 -0.109 1.046 -3.943 1.00 50.41 C ATOM 0 H ALA A 762 1.604 -0.359 -5.175 1.00 51.34 H new ATOM 0 HA ALA A 762 -1.288 -0.036 -5.344 1.00 4.42 H new ATOM 0 HB1 ALA A 762 -0.885 1.784 -3.742 1.00 50.41 H new ATOM 0 HB2 ALA A 762 -0.162 0.251 -3.199 1.00 50.41 H new ATOM 0 HB3 ALA A 762 0.869 1.525 -3.893 1.00 50.41 H new ATOM 876 N LYS A 763 -1.454 1.728 -7.027 1.00 65.24 N ATOM 877 CA LYS A 763 -1.598 2.733 -8.062 1.00 70.32 C ATOM 878 C LYS A 763 -2.377 3.922 -7.528 1.00 13.43 C ATOM 879 O LYS A 763 -3.549 3.797 -7.175 1.00 65.31 O ATOM 880 CB LYS A 763 -2.305 2.128 -9.275 1.00 45.23 C ATOM 881 CG LYS A 763 -2.629 3.132 -10.366 1.00 13.11 C ATOM 882 CD LYS A 763 -3.302 2.448 -11.541 1.00 52.11 C ATOM 883 CE LYS A 763 -3.781 3.442 -12.582 1.00 34.43 C ATOM 884 NZ LYS A 763 -4.968 4.205 -12.118 1.00 4.32 N ATOM 0 H LYS A 763 -2.299 1.185 -6.847 1.00 65.24 H new ATOM 0 HA LYS A 763 -0.610 3.078 -8.369 1.00 70.32 H new ATOM 0 HB2 LYS A 763 -1.677 1.342 -9.694 1.00 45.23 H new ATOM 0 HB3 LYS A 763 -3.230 1.655 -8.945 1.00 45.23 H new ATOM 0 HG2 LYS A 763 -3.281 3.910 -9.969 1.00 13.11 H new ATOM 0 HG3 LYS A 763 -1.714 3.622 -10.699 1.00 13.11 H new ATOM 0 HD2 LYS A 763 -2.604 1.749 -12.002 1.00 52.11 H new ATOM 0 HD3 LYS A 763 -4.149 1.863 -11.183 1.00 52.11 H new ATOM 0 HE2 LYS A 763 -2.974 4.136 -12.819 1.00 34.43 H new ATOM 0 HE3 LYS A 763 -4.027 2.913 -13.502 1.00 34.43 H new ATOM 0 HZ1 LYS A 763 -5.606 4.377 -12.921 1.00 4.32 H new ATOM 0 HZ2 LYS A 763 -5.469 3.658 -11.389 1.00 4.32 H new ATOM 0 HZ3 LYS A 763 -4.661 5.115 -11.718 1.00 4.32 H new ATOM 898 N VAL A 764 -1.726 5.069 -7.452 1.00 24.14 N ATOM 899 CA VAL A 764 -2.367 6.270 -6.954 1.00 34.21 C ATOM 900 C VAL A 764 -2.385 7.340 -8.035 1.00 55.41 C ATOM 901 O VAL A 764 -1.374 7.996 -8.298 1.00 4.10 O ATOM 902 CB VAL A 764 -1.665 6.803 -5.689 1.00 34.14 C ATOM 903 CG1 VAL A 764 -2.375 8.036 -5.157 1.00 62.41 C ATOM 904 CG2 VAL A 764 -1.602 5.718 -4.622 1.00 62.21 C ATOM 0 H VAL A 764 -0.752 5.193 -7.730 1.00 24.14 H new ATOM 0 HA VAL A 764 -3.392 6.015 -6.684 1.00 34.21 H new ATOM 0 HB VAL A 764 -0.647 7.088 -5.955 1.00 34.14 H new ATOM 0 HG11 VAL A 764 -1.862 8.394 -4.264 1.00 62.41 H new ATOM 0 HG12 VAL A 764 -2.368 8.817 -5.918 1.00 62.41 H new ATOM 0 HG13 VAL A 764 -3.405 7.783 -4.907 1.00 62.41 H new ATOM 0 HG21 VAL A 764 -1.104 6.109 -3.735 1.00 62.21 H new ATOM 0 HG22 VAL A 764 -2.613 5.404 -4.362 1.00 62.21 H new ATOM 0 HG23 VAL A 764 -1.044 4.863 -5.005 1.00 62.21 H new ATOM 914 N GLY A 765 -3.534 7.485 -8.681 1.00 51.42 N ATOM 915 CA GLY A 765 -3.657 8.419 -9.778 1.00 1.44 C ATOM 916 C GLY A 765 -2.978 7.899 -11.024 1.00 33.24 C ATOM 917 O GLY A 765 -3.512 7.028 -11.716 1.00 1.23 O ATOM 0 H GLY A 765 -4.386 6.969 -8.462 1.00 51.42 H new ATOM 0 HA2 GLY A 765 -4.711 8.602 -9.986 1.00 1.44 H new ATOM 0 HA3 GLY A 765 -3.218 9.375 -9.495 1.00 1.44 H new ATOM 921 N GLY A 766 -1.801 8.428 -11.311 1.00 4.14 N ATOM 922 CA GLY A 766 -1.004 7.922 -12.406 1.00 71.42 C ATOM 923 C GLY A 766 0.338 7.429 -11.921 1.00 22.43 C ATOM 924 O GLY A 766 1.239 7.147 -12.712 1.00 11.32 O ATOM 0 H GLY A 766 -1.381 9.205 -10.801 1.00 4.14 H new ATOM 0 HA2 GLY A 766 -1.536 7.110 -12.901 1.00 71.42 H new ATOM 0 HA3 GLY A 766 -0.860 8.708 -13.148 1.00 71.42 H new ATOM 928 N ARG A 767 0.474 7.327 -10.608 1.00 71.24 N ATOM 929 CA ARG A 767 1.728 6.918 -10.009 1.00 21.14 C ATOM 930 C ARG A 767 1.624 5.510 -9.441 1.00 64.14 C ATOM 931 O ARG A 767 0.776 5.233 -8.595 1.00 71.41 O ATOM 932 CB ARG A 767 2.136 7.901 -8.914 1.00 22.03 C ATOM 933 CG ARG A 767 3.566 7.713 -8.435 1.00 11.05 C ATOM 934 CD ARG A 767 4.551 7.790 -9.589 1.00 11.44 C ATOM 935 NE ARG A 767 5.919 7.520 -9.161 1.00 2.13 N ATOM 936 CZ ARG A 767 6.716 6.632 -9.748 1.00 52.41 C ATOM 937 NH1 ARG A 767 6.271 5.910 -10.774 1.00 63.15 N ATOM 938 NH2 ARG A 767 7.956 6.473 -9.313 1.00 53.12 N ATOM 0 H ARG A 767 -0.271 7.523 -9.939 1.00 71.24 H new ATOM 0 HA ARG A 767 2.493 6.917 -10.785 1.00 21.14 H new ATOM 0 HB2 ARG A 767 2.016 8.918 -9.287 1.00 22.03 H new ATOM 0 HB3 ARG A 767 1.459 7.790 -8.067 1.00 22.03 H new ATOM 0 HG2 ARG A 767 3.808 8.478 -7.697 1.00 11.05 H new ATOM 0 HG3 ARG A 767 3.661 6.748 -7.937 1.00 11.05 H new ATOM 0 HD2 ARG A 767 4.264 7.073 -10.358 1.00 11.44 H new ATOM 0 HD3 ARG A 767 4.502 8.780 -10.042 1.00 11.44 H new ATOM 0 HE ARG A 767 6.286 8.043 -8.365 1.00 2.13 H new ATOM 0 HH11 ARG A 767 5.317 6.037 -11.111 1.00 63.15 H new ATOM 0 HH12 ARG A 767 6.884 5.229 -11.223 1.00 63.15 H new ATOM 0 HH21 ARG A 767 8.297 7.031 -8.530 1.00 53.12 H new ATOM 0 HH22 ARG A 767 8.570 5.793 -9.761 1.00 53.12 H new ATOM 952 N TRP A 768 2.484 4.631 -9.923 1.00 54.02 N ATOM 953 CA TRP A 768 2.536 3.261 -9.436 1.00 34.42 C ATOM 954 C TRP A 768 3.609 3.142 -8.360 1.00 62.30 C ATOM 955 O TRP A 768 4.804 3.190 -8.663 1.00 3.04 O ATOM 956 CB TRP A 768 2.854 2.297 -10.583 1.00 0.24 C ATOM 957 CG TRP A 768 1.937 2.422 -11.765 1.00 73.20 C ATOM 958 CD1 TRP A 768 2.004 3.358 -12.756 1.00 11.51 C ATOM 959 CD2 TRP A 768 0.832 1.569 -12.094 1.00 24.24 C ATOM 960 NE1 TRP A 768 1.005 3.150 -13.669 1.00 65.23 N ATOM 961 CE2 TRP A 768 0.275 2.057 -13.291 1.00 63.32 C ATOM 962 CE3 TRP A 768 0.256 0.445 -11.493 1.00 13.53 C ATOM 963 CZ2 TRP A 768 -0.825 1.461 -13.899 1.00 1.20 C ATOM 964 CZ3 TRP A 768 -0.836 -0.146 -12.100 1.00 54.15 C ATOM 965 CH2 TRP A 768 -1.365 0.363 -13.291 1.00 73.35 C ATOM 0 H TRP A 768 3.161 4.842 -10.656 1.00 54.02 H new ATOM 0 HA TRP A 768 1.564 3.001 -9.017 1.00 34.42 H new ATOM 0 HB2 TRP A 768 3.879 2.468 -10.913 1.00 0.24 H new ATOM 0 HB3 TRP A 768 2.807 1.275 -10.207 1.00 0.24 H new ATOM 0 HD1 TRP A 768 2.738 4.148 -12.812 1.00 11.51 H new ATOM 0 HE1 TRP A 768 0.833 3.719 -14.498 1.00 65.23 H new ATOM 0 HE3 TRP A 768 0.657 0.047 -10.573 1.00 13.53 H new ATOM 0 HZ2 TRP A 768 -1.237 1.852 -14.818 1.00 1.20 H new ATOM 0 HZ3 TRP A 768 -1.289 -1.016 -11.647 1.00 54.15 H new ATOM 0 HH2 TRP A 768 -2.219 -0.123 -13.740 1.00 73.35 H new ATOM 976 N PHE A 769 3.189 3.003 -7.112 1.00 43.21 N ATOM 977 CA PHE A 769 4.118 2.907 -5.994 1.00 54.01 C ATOM 978 C PHE A 769 3.376 2.530 -4.714 1.00 31.42 C ATOM 979 O PHE A 769 2.295 3.047 -4.435 1.00 1.54 O ATOM 980 CB PHE A 769 4.868 4.235 -5.788 1.00 70.22 C ATOM 981 CG PHE A 769 4.052 5.302 -5.110 1.00 51.04 C ATOM 982 CD1 PHE A 769 2.991 5.909 -5.761 1.00 3.05 C ATOM 983 CD2 PHE A 769 4.345 5.687 -3.813 1.00 0.24 C ATOM 984 CE1 PHE A 769 2.241 6.883 -5.133 1.00 12.25 C ATOM 985 CE2 PHE A 769 3.596 6.659 -3.179 1.00 12.32 C ATOM 986 CZ PHE A 769 2.544 7.258 -3.840 1.00 51.33 C ATOM 0 H PHE A 769 2.206 2.954 -6.846 1.00 43.21 H new ATOM 0 HA PHE A 769 4.844 2.129 -6.228 1.00 54.01 H new ATOM 0 HB2 PHE A 769 5.763 4.046 -5.196 1.00 70.22 H new ATOM 0 HB3 PHE A 769 5.199 4.607 -6.757 1.00 70.22 H new ATOM 0 HD1 PHE A 769 2.748 5.617 -6.772 1.00 3.05 H new ATOM 0 HD2 PHE A 769 5.168 5.222 -3.291 1.00 0.24 H new ATOM 0 HE1 PHE A 769 1.418 7.351 -5.653 1.00 12.25 H new ATOM 0 HE2 PHE A 769 3.834 6.950 -2.166 1.00 12.32 H new ATOM 0 HZ PHE A 769 1.958 8.019 -3.346 1.00 51.33 H new ATOM 996 N PRO A 770 3.940 1.613 -3.928 1.00 11.12 N ATOM 997 CA PRO A 770 5.153 0.903 -4.273 1.00 23.11 C ATOM 998 C PRO A 770 4.855 -0.469 -4.873 1.00 12.52 C ATOM 999 O PRO A 770 3.692 -0.848 -5.029 1.00 30.40 O ATOM 1000 CB PRO A 770 5.819 0.756 -2.910 1.00 12.11 C ATOM 1001 CG PRO A 770 4.681 0.608 -1.948 1.00 54.22 C ATOM 1002 CD PRO A 770 3.457 1.210 -2.603 1.00 22.03 C ATOM 0 HA PRO A 770 5.757 1.414 -5.022 1.00 23.11 H new ATOM 0 HB2 PRO A 770 6.477 -0.112 -2.882 1.00 12.11 H new ATOM 0 HB3 PRO A 770 6.430 1.627 -2.671 1.00 12.11 H new ATOM 0 HG2 PRO A 770 4.512 -0.442 -1.711 1.00 54.22 H new ATOM 0 HG3 PRO A 770 4.903 1.115 -1.009 1.00 54.22 H new ATOM 0 HD2 PRO A 770 2.644 0.487 -2.675 1.00 22.03 H new ATOM 0 HD3 PRO A 770 3.078 2.062 -2.038 1.00 22.03 H new ATOM 1010 N ALA A 771 5.901 -1.203 -5.208 1.00 0.23 N ATOM 1011 CA ALA A 771 5.754 -2.577 -5.653 1.00 22.41 C ATOM 1012 C ALA A 771 6.297 -3.516 -4.587 1.00 54.10 C ATOM 1013 O ALA A 771 7.508 -3.615 -4.396 1.00 51.43 O ATOM 1014 CB ALA A 771 6.473 -2.790 -6.977 1.00 73.35 C ATOM 0 H ALA A 771 6.864 -0.869 -5.180 1.00 0.23 H new ATOM 0 HA ALA A 771 4.697 -2.792 -5.809 1.00 22.41 H new ATOM 0 HB1 ALA A 771 6.352 -3.826 -7.294 1.00 73.35 H new ATOM 0 HB2 ALA A 771 6.050 -2.127 -7.732 1.00 73.35 H new ATOM 0 HB3 ALA A 771 7.534 -2.570 -6.855 1.00 73.35 H new ATOM 1020 N VAL A 772 5.400 -4.179 -3.875 1.00 45.52 N ATOM 1021 CA VAL A 772 5.795 -5.028 -2.763 1.00 34.52 C ATOM 1022 C VAL A 772 5.547 -6.496 -3.078 1.00 12.41 C ATOM 1023 O VAL A 772 4.799 -6.830 -3.999 1.00 73.24 O ATOM 1024 CB VAL A 772 5.045 -4.659 -1.465 1.00 52.40 C ATOM 1025 CG1 VAL A 772 5.342 -3.224 -1.062 1.00 50.44 C ATOM 1026 CG2 VAL A 772 3.548 -4.878 -1.625 1.00 12.42 C ATOM 0 H VAL A 772 4.395 -4.146 -4.047 1.00 45.52 H new ATOM 0 HA VAL A 772 6.862 -4.864 -2.611 1.00 34.52 H new ATOM 0 HB VAL A 772 5.399 -5.315 -0.669 1.00 52.40 H new ATOM 0 HG11 VAL A 772 4.804 -2.985 -0.145 1.00 50.44 H new ATOM 0 HG12 VAL A 772 6.413 -3.107 -0.895 1.00 50.44 H new ATOM 0 HG13 VAL A 772 5.023 -2.549 -1.857 1.00 50.44 H new ATOM 0 HG21 VAL A 772 3.040 -4.611 -0.698 1.00 12.42 H new ATOM 0 HG22 VAL A 772 3.174 -4.254 -2.436 1.00 12.42 H new ATOM 0 HG23 VAL A 772 3.356 -5.926 -1.855 1.00 12.42 H new ATOM 1036 N CYS A 773 6.170 -7.364 -2.305 1.00 42.14 N ATOM 1037 CA CYS A 773 6.016 -8.793 -2.483 1.00 4.13 C ATOM 1038 C CYS A 773 5.768 -9.463 -1.136 1.00 40.42 C ATOM 1039 O CYS A 773 6.605 -9.399 -0.234 1.00 41.24 O ATOM 1040 CB CYS A 773 7.257 -9.367 -3.166 1.00 42.24 C ATOM 1041 SG CYS A 773 8.821 -8.801 -2.453 1.00 51.43 S ATOM 0 H CYS A 773 6.793 -7.100 -1.541 1.00 42.14 H new ATOM 0 HA CYS A 773 5.154 -8.989 -3.121 1.00 4.13 H new ATOM 0 HB2 CYS A 773 7.218 -10.455 -3.112 1.00 42.24 H new ATOM 0 HB3 CYS A 773 7.234 -9.099 -4.222 1.00 42.24 H new ATOM 0 HG CYS A 773 9.812 -9.343 -3.096 1.00 51.43 H new ATOM 1047 N ALA A 774 4.609 -10.090 -0.997 1.00 73.31 N ATOM 1048 CA ALA A 774 4.234 -10.730 0.254 1.00 52.21 C ATOM 1049 C ALA A 774 3.701 -12.133 0.002 1.00 53.41 C ATOM 1050 O ALA A 774 3.013 -12.370 -0.986 1.00 73.23 O ATOM 1051 CB ALA A 774 3.198 -9.892 0.986 1.00 73.10 C ATOM 0 H ALA A 774 3.911 -10.169 -1.737 1.00 73.31 H new ATOM 0 HA ALA A 774 5.123 -10.810 0.879 1.00 52.21 H new ATOM 0 HB1 ALA A 774 2.927 -10.383 1.920 1.00 73.10 H new ATOM 0 HB2 ALA A 774 3.613 -8.907 1.201 1.00 73.10 H new ATOM 0 HB3 ALA A 774 2.311 -9.784 0.362 1.00 73.10 H new ATOM 1057 N HIS A 775 4.006 -13.055 0.907 1.00 12.33 N ATOM 1058 CA HIS A 775 3.577 -14.450 0.758 1.00 14.24 C ATOM 1059 C HIS A 775 2.117 -14.636 1.186 1.00 2.13 C ATOM 1060 O HIS A 775 1.696 -15.732 1.551 1.00 43.11 O ATOM 1061 CB HIS A 775 4.505 -15.401 1.538 1.00 52.44 C ATOM 1062 CG HIS A 775 4.453 -15.280 3.038 1.00 73.43 C ATOM 1063 ND1 HIS A 775 4.847 -16.298 3.878 1.00 62.43 N ATOM 1064 CD2 HIS A 775 4.071 -14.262 3.845 1.00 52.41 C ATOM 1065 CE1 HIS A 775 4.707 -15.912 5.132 1.00 13.42 C ATOM 1066 NE2 HIS A 775 4.241 -14.678 5.141 1.00 42.31 N ATOM 0 H HIS A 775 4.547 -12.868 1.751 1.00 12.33 H new ATOM 0 HA HIS A 775 3.646 -14.703 -0.300 1.00 14.24 H new ATOM 0 HB2 HIS A 775 4.255 -16.427 1.266 1.00 52.44 H new ATOM 0 HB3 HIS A 775 5.531 -15.226 1.213 1.00 52.44 H new ATOM 0 HD1 HIS A 775 5.193 -17.209 3.577 1.00 62.43 H new ATOM 0 HD2 HIS A 775 3.700 -13.299 3.527 1.00 52.41 H new ATOM 0 HE1 HIS A 775 4.936 -16.506 6.004 1.00 13.42 H new ATOM 1075 N SER A 776 1.355 -13.556 1.126 1.00 34.13 N ATOM 1076 CA SER A 776 -0.067 -13.587 1.414 1.00 21.32 C ATOM 1077 C SER A 776 -0.744 -12.460 0.641 1.00 73.00 C ATOM 1078 O SER A 776 -0.213 -11.352 0.572 1.00 55.34 O ATOM 1079 CB SER A 776 -0.317 -13.431 2.918 1.00 5.51 C ATOM 1080 OG SER A 776 -1.687 -13.595 3.235 1.00 25.34 O ATOM 0 H SER A 776 1.707 -12.632 0.876 1.00 34.13 H new ATOM 0 HA SER A 776 -0.482 -14.547 1.107 1.00 21.32 H new ATOM 0 HB2 SER A 776 0.275 -14.165 3.465 1.00 5.51 H new ATOM 0 HB3 SER A 776 0.018 -12.446 3.244 1.00 5.51 H new ATOM 0 HG SER A 776 -1.814 -13.492 4.201 1.00 25.34 H new ATOM 1086 N LYS A 777 -1.901 -12.745 0.058 1.00 15.44 N ATOM 1087 CA LYS A 777 -2.603 -11.767 -0.763 1.00 33.22 C ATOM 1088 C LYS A 777 -3.093 -10.606 0.098 1.00 74.41 C ATOM 1089 O LYS A 777 -2.966 -9.438 -0.284 1.00 73.53 O ATOM 1090 CB LYS A 777 -3.767 -12.442 -1.506 1.00 50.23 C ATOM 1091 CG LYS A 777 -4.644 -11.487 -2.305 1.00 41.23 C ATOM 1092 CD LYS A 777 -5.848 -11.027 -1.497 1.00 2.33 C ATOM 1093 CE LYS A 777 -6.647 -9.964 -2.230 1.00 42.30 C ATOM 1094 NZ LYS A 777 -7.919 -9.648 -1.529 1.00 4.11 N ATOM 0 H LYS A 777 -2.373 -13.645 0.138 1.00 15.44 H new ATOM 0 HA LYS A 777 -1.915 -11.364 -1.506 1.00 33.22 H new ATOM 0 HB2 LYS A 777 -3.362 -13.195 -2.182 1.00 50.23 H new ATOM 0 HB3 LYS A 777 -4.389 -12.966 -0.781 1.00 50.23 H new ATOM 0 HG2 LYS A 777 -4.057 -10.621 -2.610 1.00 41.23 H new ATOM 0 HG3 LYS A 777 -4.983 -11.979 -3.217 1.00 41.23 H new ATOM 0 HD2 LYS A 777 -6.490 -11.881 -1.283 1.00 2.33 H new ATOM 0 HD3 LYS A 777 -5.513 -10.633 -0.538 1.00 2.33 H new ATOM 0 HE2 LYS A 777 -6.048 -9.058 -2.322 1.00 42.30 H new ATOM 0 HE3 LYS A 777 -6.865 -10.306 -3.242 1.00 42.30 H new ATOM 0 HZ1 LYS A 777 -8.436 -8.918 -2.060 1.00 4.11 H new ATOM 0 HZ2 LYS A 777 -8.502 -10.507 -1.463 1.00 4.11 H new ATOM 0 HZ3 LYS A 777 -7.710 -9.297 -0.572 1.00 4.11 H new ATOM 1108 N LYS A 778 -3.630 -10.930 1.266 1.00 3.31 N ATOM 1109 CA LYS A 778 -4.099 -9.914 2.198 1.00 62.14 C ATOM 1110 C LYS A 778 -2.935 -9.045 2.667 1.00 13.21 C ATOM 1111 O LYS A 778 -3.067 -7.828 2.808 1.00 54.34 O ATOM 1112 CB LYS A 778 -4.799 -10.563 3.398 1.00 2.55 C ATOM 1113 CG LYS A 778 -3.944 -11.577 4.141 1.00 34.10 C ATOM 1114 CD LYS A 778 -4.683 -12.167 5.328 1.00 0.00 C ATOM 1115 CE LYS A 778 -3.836 -13.204 6.046 1.00 23.35 C ATOM 1116 NZ LYS A 778 -4.528 -13.756 7.240 1.00 63.31 N ATOM 0 H LYS A 778 -3.752 -11.889 1.591 1.00 3.31 H new ATOM 0 HA LYS A 778 -4.820 -9.281 1.681 1.00 62.14 H new ATOM 0 HB2 LYS A 778 -5.104 -9.781 4.094 1.00 2.55 H new ATOM 0 HB3 LYS A 778 -5.709 -11.054 3.052 1.00 2.55 H new ATOM 0 HG2 LYS A 778 -3.652 -12.376 3.460 1.00 34.10 H new ATOM 0 HG3 LYS A 778 -3.027 -11.099 4.484 1.00 34.10 H new ATOM 0 HD2 LYS A 778 -4.954 -11.372 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 778 -5.612 -12.625 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 778 -3.596 -14.015 5.359 1.00 23.35 H new ATOM 0 HE3 LYS A 778 -2.891 -12.753 6.350 1.00 23.35 H new ATOM 0 HZ1 LYS A 778 -3.917 -14.460 7.701 1.00 63.31 H new ATOM 0 HZ2 LYS A 778 -4.735 -12.986 7.908 1.00 63.31 H new ATOM 0 HZ3 LYS A 778 -5.417 -14.209 6.947 1.00 63.31 H new ATOM 1130 N GLN A 779 -1.786 -9.676 2.873 1.00 71.35 N ATOM 1131 CA GLN A 779 -0.592 -8.970 3.312 1.00 74.32 C ATOM 1132 C GLN A 779 -0.025 -8.110 2.192 1.00 31.23 C ATOM 1133 O GLN A 779 0.523 -7.040 2.448 1.00 31.32 O ATOM 1134 CB GLN A 779 0.463 -9.962 3.802 1.00 25.24 C ATOM 1135 CG GLN A 779 0.148 -10.546 5.169 1.00 22.12 C ATOM 1136 CD GLN A 779 0.176 -9.492 6.259 1.00 74.13 C ATOM 1137 OE1 GLN A 779 0.925 -8.521 6.174 1.00 45.13 O ATOM 1138 NE2 GLN A 779 -0.638 -9.668 7.285 1.00 74.53 N ATOM 0 H GLN A 779 -1.657 -10.679 2.742 1.00 71.35 H new ATOM 0 HA GLN A 779 -0.871 -8.315 4.138 1.00 74.32 H new ATOM 0 HB2 GLN A 779 0.553 -10.773 3.080 1.00 25.24 H new ATOM 0 HB3 GLN A 779 1.431 -9.462 3.842 1.00 25.24 H new ATOM 0 HG2 GLN A 779 -0.835 -11.016 5.144 1.00 22.12 H new ATOM 0 HG3 GLN A 779 0.869 -11.329 5.403 1.00 22.12 H new ATOM 0 HE21 GLN A 779 -1.245 -10.487 7.320 1.00 74.53 H new ATOM 0 HE22 GLN A 779 -0.659 -8.985 8.042 1.00 74.53 H new ATOM 1147 N GLY A 780 -0.170 -8.573 0.956 1.00 22.40 N ATOM 1148 CA GLY A 780 0.317 -7.824 -0.187 1.00 12.13 C ATOM 1149 C GLY A 780 -0.261 -6.425 -0.240 1.00 4.20 C ATOM 1150 O GLY A 780 0.456 -5.455 -0.480 1.00 61.31 O ATOM 0 H GLY A 780 -0.619 -9.459 0.724 1.00 22.40 H new ATOM 0 HA2 GLY A 780 1.405 -7.765 -0.144 1.00 12.13 H new ATOM 0 HA3 GLY A 780 0.062 -8.356 -1.104 1.00 12.13 H new ATOM 1154 N LYS A 781 -1.561 -6.320 0.005 1.00 65.43 N ATOM 1155 CA LYS A 781 -2.232 -5.028 0.007 1.00 14.11 C ATOM 1156 C LYS A 781 -1.787 -4.183 1.197 1.00 3.12 C ATOM 1157 O LYS A 781 -1.520 -2.989 1.053 1.00 55.31 O ATOM 1158 CB LYS A 781 -3.749 -5.210 0.031 1.00 42.20 C ATOM 1159 CG LYS A 781 -4.300 -5.864 -1.223 1.00 54.03 C ATOM 1160 CD LYS A 781 -5.819 -5.931 -1.201 1.00 22.15 C ATOM 1161 CE LYS A 781 -6.437 -4.547 -1.064 1.00 35.41 C ATOM 1162 NZ LYS A 781 -7.916 -4.581 -1.197 1.00 74.24 N ATOM 0 H LYS A 781 -2.170 -7.113 0.205 1.00 65.43 H new ATOM 0 HA LYS A 781 -1.955 -4.506 -0.909 1.00 14.11 H new ATOM 0 HB2 LYS A 781 -4.021 -5.815 0.896 1.00 42.20 H new ATOM 0 HB3 LYS A 781 -4.222 -4.237 0.161 1.00 42.20 H new ATOM 0 HG2 LYS A 781 -3.973 -5.304 -2.099 1.00 54.03 H new ATOM 0 HG3 LYS A 781 -3.893 -6.871 -1.318 1.00 54.03 H new ATOM 0 HD2 LYS A 781 -6.177 -6.401 -2.117 1.00 22.15 H new ATOM 0 HD3 LYS A 781 -6.144 -6.560 -0.372 1.00 22.15 H new ATOM 0 HE2 LYS A 781 -6.170 -4.125 -0.095 1.00 35.41 H new ATOM 0 HE3 LYS A 781 -6.020 -3.887 -1.825 1.00 35.41 H new ATOM 0 HZ1 LYS A 781 -8.296 -3.618 -1.097 1.00 74.24 H new ATOM 0 HZ2 LYS A 781 -8.172 -4.959 -2.131 1.00 74.24 H new ATOM 0 HZ3 LYS A 781 -8.317 -5.190 -0.455 1.00 74.24 H new ATOM 1176 N GLN A 782 -1.696 -4.810 2.363 1.00 33.44 N ATOM 1177 CA GLN A 782 -1.294 -4.114 3.581 1.00 45.13 C ATOM 1178 C GLN A 782 0.133 -3.588 3.463 1.00 72.42 C ATOM 1179 O GLN A 782 0.408 -2.437 3.806 1.00 52.02 O ATOM 1180 CB GLN A 782 -1.419 -5.042 4.790 1.00 4.11 C ATOM 1181 CG GLN A 782 -2.848 -5.479 5.067 1.00 4.54 C ATOM 1182 CD GLN A 782 -2.956 -6.452 6.223 1.00 51.02 C ATOM 1183 OE1 GLN A 782 -2.154 -6.426 7.157 1.00 15.13 O ATOM 1184 NE2 GLN A 782 -3.958 -7.315 6.173 1.00 42.32 N ATOM 0 H GLN A 782 -1.896 -5.802 2.492 1.00 33.44 H new ATOM 0 HA GLN A 782 -1.960 -3.263 3.721 1.00 45.13 H new ATOM 0 HB2 GLN A 782 -0.801 -5.925 4.627 1.00 4.11 H new ATOM 0 HB3 GLN A 782 -1.024 -4.535 5.671 1.00 4.11 H new ATOM 0 HG2 GLN A 782 -3.456 -4.600 5.281 1.00 4.54 H new ATOM 0 HG3 GLN A 782 -3.261 -5.941 4.170 1.00 4.54 H new ATOM 0 HE21 GLN A 782 -4.601 -7.304 5.381 1.00 42.32 H new ATOM 0 HE22 GLN A 782 -4.087 -7.991 6.926 1.00 42.32 H new ATOM 1193 N GLU A 783 1.031 -4.429 2.960 1.00 20.03 N ATOM 1194 CA GLU A 783 2.423 -4.042 2.771 1.00 63.45 C ATOM 1195 C GLU A 783 2.537 -2.887 1.788 1.00 65.40 C ATOM 1196 O GLU A 783 3.276 -1.934 2.031 1.00 63.33 O ATOM 1197 CB GLU A 783 3.252 -5.227 2.274 1.00 75.34 C ATOM 1198 CG GLU A 783 3.458 -6.306 3.321 1.00 3.32 C ATOM 1199 CD GLU A 783 4.158 -5.781 4.555 1.00 33.13 C ATOM 1200 OE1 GLU A 783 5.328 -5.356 4.442 1.00 3.01 O ATOM 1201 OE2 GLU A 783 3.545 -5.785 5.641 1.00 63.43 O ATOM 0 H GLU A 783 0.818 -5.385 2.676 1.00 20.03 H new ATOM 0 HA GLU A 783 2.811 -3.719 3.737 1.00 63.45 H new ATOM 0 HB2 GLU A 783 2.760 -5.665 1.405 1.00 75.34 H new ATOM 0 HB3 GLU A 783 4.225 -4.865 1.941 1.00 75.34 H new ATOM 0 HG2 GLU A 783 2.492 -6.724 3.604 1.00 3.32 H new ATOM 0 HG3 GLU A 783 4.044 -7.119 2.892 1.00 3.32 H new ATOM 1208 N ALA A 784 1.801 -2.978 0.686 1.00 42.51 N ATOM 1209 CA ALA A 784 1.803 -1.929 -0.322 1.00 64.12 C ATOM 1210 C ALA A 784 1.303 -0.618 0.264 1.00 43.23 C ATOM 1211 O ALA A 784 1.889 0.437 0.036 1.00 35.33 O ATOM 1212 CB ALA A 784 0.949 -2.336 -1.514 1.00 2.13 C ATOM 0 H ALA A 784 1.195 -3.769 0.469 1.00 42.51 H new ATOM 0 HA ALA A 784 2.829 -1.784 -0.661 1.00 64.12 H new ATOM 0 HB1 ALA A 784 0.961 -1.540 -2.259 1.00 2.13 H new ATOM 0 HB2 ALA A 784 1.349 -3.250 -1.953 1.00 2.13 H new ATOM 0 HB3 ALA A 784 -0.076 -2.510 -1.185 1.00 2.13 H new ATOM 1218 N ALA A 785 0.231 -0.699 1.038 1.00 14.32 N ATOM 1219 CA ALA A 785 -0.369 0.478 1.642 1.00 12.04 C ATOM 1220 C ALA A 785 0.574 1.117 2.652 1.00 22.20 C ATOM 1221 O ALA A 785 0.765 2.332 2.648 1.00 5.33 O ATOM 1222 CB ALA A 785 -1.686 0.111 2.299 1.00 24.12 C ATOM 0 H ALA A 785 -0.243 -1.574 1.263 1.00 14.32 H new ATOM 0 HA ALA A 785 -0.559 1.209 0.856 1.00 12.04 H new ATOM 0 HB1 ALA A 785 -2.128 1.000 2.749 1.00 24.12 H new ATOM 0 HB2 ALA A 785 -2.366 -0.293 1.549 1.00 24.12 H new ATOM 0 HB3 ALA A 785 -1.511 -0.638 3.071 1.00 24.12 H new ATOM 1228 N ASP A 786 1.170 0.290 3.508 1.00 74.11 N ATOM 1229 CA ASP A 786 2.103 0.778 4.522 1.00 4.34 C ATOM 1230 C ASP A 786 3.277 1.465 3.854 1.00 12.50 C ATOM 1231 O ASP A 786 3.565 2.629 4.130 1.00 64.24 O ATOM 1232 CB ASP A 786 2.612 -0.371 5.401 1.00 44.41 C ATOM 1233 CG ASP A 786 3.422 0.116 6.595 1.00 12.15 C ATOM 1234 OD1 ASP A 786 4.638 0.374 6.442 1.00 60.33 O ATOM 1235 OD2 ASP A 786 2.853 0.224 7.698 1.00 72.40 O ATOM 0 H ASP A 786 1.024 -0.719 3.520 1.00 74.11 H new ATOM 0 HA ASP A 786 1.574 1.489 5.156 1.00 4.34 H new ATOM 0 HB2 ASP A 786 1.763 -0.954 5.757 1.00 44.41 H new ATOM 0 HB3 ASP A 786 3.227 -1.039 4.798 1.00 44.41 H new ATOM 1240 N ALA A 787 3.921 0.746 2.940 1.00 73.41 N ATOM 1241 CA ALA A 787 5.086 1.258 2.233 1.00 32.11 C ATOM 1242 C ALA A 787 4.748 2.526 1.458 1.00 33.35 C ATOM 1243 O ALA A 787 5.571 3.434 1.359 1.00 64.22 O ATOM 1244 CB ALA A 787 5.645 0.199 1.298 1.00 40.43 C ATOM 0 H ALA A 787 3.652 -0.200 2.671 1.00 73.41 H new ATOM 0 HA ALA A 787 5.845 1.510 2.974 1.00 32.11 H new ATOM 0 HB1 ALA A 787 6.516 0.597 0.777 1.00 40.43 H new ATOM 0 HB2 ALA A 787 5.937 -0.678 1.875 1.00 40.43 H new ATOM 0 HB3 ALA A 787 4.884 -0.082 0.570 1.00 40.43 H new ATOM 1250 N ALA A 788 3.535 2.586 0.919 1.00 33.03 N ATOM 1251 CA ALA A 788 3.079 3.766 0.199 1.00 71.22 C ATOM 1252 C ALA A 788 3.043 4.976 1.121 1.00 22.04 C ATOM 1253 O ALA A 788 3.517 6.052 0.758 1.00 70.02 O ATOM 1254 CB ALA A 788 1.709 3.528 -0.413 1.00 35.34 C ATOM 0 H ALA A 788 2.851 1.831 0.968 1.00 33.03 H new ATOM 0 HA ALA A 788 3.786 3.965 -0.607 1.00 71.22 H new ATOM 0 HB1 ALA A 788 1.388 4.423 -0.946 1.00 35.34 H new ATOM 0 HB2 ALA A 788 1.762 2.691 -1.109 1.00 35.34 H new ATOM 0 HB3 ALA A 788 0.993 3.299 0.376 1.00 35.34 H new ATOM 1260 N LEU A 789 2.503 4.792 2.326 1.00 25.32 N ATOM 1261 CA LEU A 789 2.431 5.876 3.296 1.00 41.30 C ATOM 1262 C LEU A 789 3.836 6.302 3.700 1.00 15.44 C ATOM 1263 O LEU A 789 4.089 7.482 3.921 1.00 73.55 O ATOM 1264 CB LEU A 789 1.629 5.467 4.538 1.00 1.12 C ATOM 1265 CG LEU A 789 0.231 4.907 4.266 1.00 15.44 C ATOM 1266 CD1 LEU A 789 -0.490 4.618 5.572 1.00 4.13 C ATOM 1267 CD2 LEU A 789 -0.577 5.870 3.415 1.00 54.15 C ATOM 0 H LEU A 789 2.112 3.907 2.649 1.00 25.32 H new ATOM 0 HA LEU A 789 1.916 6.714 2.827 1.00 41.30 H new ATOM 0 HB2 LEU A 789 2.200 4.719 5.087 1.00 1.12 H new ATOM 0 HB3 LEU A 789 1.533 6.336 5.189 1.00 1.12 H new ATOM 0 HG LEU A 789 0.339 3.972 3.716 1.00 15.44 H new ATOM 0 HD11 LEU A 789 -1.482 4.220 5.359 1.00 4.13 H new ATOM 0 HD12 LEU A 789 0.078 3.887 6.147 1.00 4.13 H new ATOM 0 HD13 LEU A 789 -0.584 5.539 6.147 1.00 4.13 H new ATOM 0 HD21 LEU A 789 -1.567 5.452 3.234 1.00 54.15 H new ATOM 0 HD22 LEU A 789 -0.675 6.822 3.936 1.00 54.15 H new ATOM 0 HD23 LEU A 789 -0.070 6.028 2.463 1.00 54.15 H new ATOM 1279 N ARG A 790 4.753 5.333 3.774 1.00 42.45 N ATOM 1280 CA ARG A 790 6.148 5.624 4.107 1.00 74.14 C ATOM 1281 C ARG A 790 6.735 6.581 3.078 1.00 45.05 C ATOM 1282 O ARG A 790 7.464 7.510 3.420 1.00 31.41 O ATOM 1283 CB ARG A 790 7.000 4.347 4.144 1.00 11.44 C ATOM 1284 CG ARG A 790 6.341 3.169 4.840 1.00 71.25 C ATOM 1285 CD ARG A 790 5.922 3.491 6.265 1.00 24.54 C ATOM 1286 NE ARG A 790 7.056 3.554 7.179 1.00 34.43 N ATOM 1287 CZ ARG A 790 7.295 2.636 8.114 1.00 24.01 C ATOM 1288 NH1 ARG A 790 6.532 1.550 8.192 1.00 55.24 N ATOM 1289 NH2 ARG A 790 8.307 2.791 8.954 1.00 51.33 N ATOM 0 H ARG A 790 4.555 4.346 3.609 1.00 42.45 H new ATOM 0 HA ARG A 790 6.163 6.077 5.098 1.00 74.14 H new ATOM 0 HB2 ARG A 790 7.244 4.058 3.122 1.00 11.44 H new ATOM 0 HB3 ARG A 790 7.942 4.568 4.646 1.00 11.44 H new ATOM 0 HG2 ARG A 790 5.466 2.858 4.270 1.00 71.25 H new ATOM 0 HG3 ARG A 790 7.031 2.325 4.850 1.00 71.25 H new ATOM 0 HD2 ARG A 790 5.395 4.445 6.279 1.00 24.54 H new ATOM 0 HD3 ARG A 790 5.220 2.734 6.614 1.00 24.54 H new ATOM 0 HE ARG A 790 7.699 4.341 7.098 1.00 34.43 H new ATOM 0 HH11 ARG A 790 5.763 1.419 7.535 1.00 55.24 H new ATOM 0 HH12 ARG A 790 6.716 0.848 8.908 1.00 55.24 H new ATOM 0 HH21 ARG A 790 8.905 3.614 8.886 1.00 51.33 H new ATOM 0 HH22 ARG A 790 8.488 2.087 9.669 1.00 51.33 H new ATOM 1303 N VAL A 791 6.401 6.340 1.810 1.00 64.33 N ATOM 1304 CA VAL A 791 6.837 7.206 0.725 1.00 75.12 C ATOM 1305 C VAL A 791 6.243 8.595 0.894 1.00 15.44 C ATOM 1306 O VAL A 791 6.958 9.588 0.879 1.00 32.53 O ATOM 1307 CB VAL A 791 6.425 6.655 -0.659 1.00 12.12 C ATOM 1308 CG1 VAL A 791 6.978 7.525 -1.778 1.00 24.22 C ATOM 1309 CG2 VAL A 791 6.880 5.217 -0.831 1.00 12.43 C ATOM 0 H VAL A 791 5.829 5.550 1.513 1.00 64.33 H new ATOM 0 HA VAL A 791 7.925 7.249 0.769 1.00 75.12 H new ATOM 0 HB VAL A 791 5.337 6.677 -0.714 1.00 12.12 H new ATOM 0 HG11 VAL A 791 6.674 7.116 -2.741 1.00 24.22 H new ATOM 0 HG12 VAL A 791 6.591 8.539 -1.676 1.00 24.22 H new ATOM 0 HG13 VAL A 791 8.066 7.545 -1.720 1.00 24.22 H new ATOM 0 HG21 VAL A 791 6.577 4.855 -1.813 1.00 12.43 H new ATOM 0 HG22 VAL A 791 7.965 5.166 -0.744 1.00 12.43 H new ATOM 0 HG23 VAL A 791 6.425 4.597 -0.059 1.00 12.43 H new ATOM 1319 N LEU A 792 4.929 8.648 1.080 1.00 53.35 N ATOM 1320 CA LEU A 792 4.211 9.913 1.208 1.00 2.03 C ATOM 1321 C LEU A 792 4.769 10.749 2.353 1.00 44.23 C ATOM 1322 O LEU A 792 5.111 11.921 2.173 1.00 52.31 O ATOM 1323 CB LEU A 792 2.726 9.648 1.453 1.00 54.03 C ATOM 1324 CG LEU A 792 2.067 8.682 0.470 1.00 53.44 C ATOM 1325 CD1 LEU A 792 0.618 8.438 0.851 1.00 10.52 C ATOM 1326 CD2 LEU A 792 2.170 9.211 -0.950 1.00 22.22 C ATOM 0 H LEU A 792 4.334 7.822 1.146 1.00 53.35 H new ATOM 0 HA LEU A 792 4.339 10.467 0.278 1.00 2.03 H new ATOM 0 HB2 LEU A 792 2.605 9.253 2.462 1.00 54.03 H new ATOM 0 HB3 LEU A 792 2.193 10.598 1.417 1.00 54.03 H new ATOM 0 HG LEU A 792 2.596 7.730 0.517 1.00 53.44 H new ATOM 0 HD11 LEU A 792 0.166 7.748 0.139 1.00 10.52 H new ATOM 0 HD12 LEU A 792 0.572 8.009 1.852 1.00 10.52 H new ATOM 0 HD13 LEU A 792 0.074 9.382 0.836 1.00 10.52 H new ATOM 0 HD21 LEU A 792 1.695 8.509 -1.635 1.00 22.22 H new ATOM 0 HD22 LEU A 792 1.669 10.177 -1.016 1.00 22.22 H new ATOM 0 HD23 LEU A 792 3.220 9.327 -1.220 1.00 22.22 H new ATOM 1338 N ILE A 793 4.850 10.136 3.527 1.00 73.45 N ATOM 1339 CA ILE A 793 5.377 10.796 4.715 1.00 61.40 C ATOM 1340 C ILE A 793 6.823 11.242 4.503 1.00 40.22 C ATOM 1341 O ILE A 793 7.153 12.415 4.695 1.00 14.55 O ATOM 1342 CB ILE A 793 5.293 9.863 5.943 1.00 21.21 C ATOM 1343 CG1 ILE A 793 3.835 9.466 6.199 1.00 62.01 C ATOM 1344 CG2 ILE A 793 5.884 10.539 7.174 1.00 42.12 C ATOM 1345 CD1 ILE A 793 3.677 8.288 7.133 1.00 14.25 C ATOM 0 H ILE A 793 4.554 9.172 3.683 1.00 73.45 H new ATOM 0 HA ILE A 793 4.765 11.679 4.898 1.00 61.40 H new ATOM 0 HB ILE A 793 5.874 8.964 5.738 1.00 21.21 H new ATOM 0 HG12 ILE A 793 3.303 10.322 6.616 1.00 62.01 H new ATOM 0 HG13 ILE A 793 3.361 9.229 5.247 1.00 62.01 H new ATOM 0 HG21 ILE A 793 5.815 9.865 8.028 1.00 42.12 H new ATOM 0 HG22 ILE A 793 6.930 10.783 6.988 1.00 42.12 H new ATOM 0 HG23 ILE A 793 5.331 11.453 7.388 1.00 42.12 H new ATOM 0 HD11 ILE A 793 2.618 8.068 7.265 1.00 14.25 H new ATOM 0 HD12 ILE A 793 4.179 7.418 6.709 1.00 14.25 H new ATOM 0 HD13 ILE A 793 4.121 8.528 8.099 1.00 14.25 H new ATOM 1357 N GLY A 794 7.669 10.311 4.077 1.00 53.43 N ATOM 1358 CA GLY A 794 9.072 10.617 3.876 1.00 2.31 C ATOM 1359 C GLY A 794 9.294 11.666 2.803 1.00 33.12 C ATOM 1360 O GLY A 794 10.116 12.567 2.967 1.00 64.01 O ATOM 0 H GLY A 794 7.407 9.348 3.867 1.00 53.43 H new ATOM 0 HA2 GLY A 794 9.502 10.967 4.815 1.00 2.31 H new ATOM 0 HA3 GLY A 794 9.603 9.705 3.603 1.00 2.31 H new ATOM 1364 N GLU A 795 8.548 11.558 1.711 1.00 54.13 N ATOM 1365 CA GLU A 795 8.686 12.476 0.586 1.00 32.14 C ATOM 1366 C GLU A 795 8.249 13.882 0.986 1.00 32.25 C ATOM 1367 O GLU A 795 8.872 14.871 0.598 1.00 3.44 O ATOM 1368 CB GLU A 795 7.850 11.990 -0.599 1.00 10.01 C ATOM 1369 CG GLU A 795 8.285 12.570 -1.930 1.00 52.00 C ATOM 1370 CD GLU A 795 9.682 12.131 -2.311 1.00 33.34 C ATOM 1371 OE1 GLU A 795 10.655 12.820 -1.933 1.00 62.00 O ATOM 1372 OE2 GLU A 795 9.818 11.088 -2.983 1.00 61.20 O ATOM 0 H GLU A 795 7.836 10.839 1.580 1.00 54.13 H new ATOM 0 HA GLU A 795 9.736 12.505 0.293 1.00 32.14 H new ATOM 0 HB2 GLU A 795 7.907 10.903 -0.651 1.00 10.01 H new ATOM 0 HB3 GLU A 795 6.805 12.247 -0.425 1.00 10.01 H new ATOM 0 HG2 GLU A 795 7.584 12.262 -2.706 1.00 52.00 H new ATOM 0 HG3 GLU A 795 8.248 13.658 -1.881 1.00 52.00 H new ATOM 1379 N ASN A 796 7.181 13.959 1.774 1.00 13.23 N ATOM 1380 CA ASN A 796 6.669 15.244 2.237 1.00 22.42 C ATOM 1381 C ASN A 796 7.631 15.856 3.245 1.00 25.41 C ATOM 1382 O ASN A 796 7.736 17.076 3.364 1.00 60.42 O ATOM 1383 CB ASN A 796 5.284 15.080 2.866 1.00 71.52 C ATOM 1384 CG ASN A 796 4.601 16.410 3.126 1.00 4.44 C ATOM 1385 OD1 ASN A 796 3.937 16.955 2.244 1.00 0.25 O ATOM 1386 ND2 ASN A 796 4.730 16.924 4.341 1.00 22.34 N ATOM 0 H ASN A 796 6.655 13.150 2.104 1.00 13.23 H new ATOM 0 HA ASN A 796 6.581 15.910 1.378 1.00 22.42 H new ATOM 0 HB2 ASN A 796 4.659 14.477 2.207 1.00 71.52 H new ATOM 0 HB3 ASN A 796 5.377 14.534 3.805 1.00 71.52 H new ATOM 0 HD21 ASN A 796 4.269 17.804 4.574 1.00 22.34 H new ATOM 0 HD22 ASN A 796 5.290 16.440 5.043 1.00 22.34 H new ATOM 1393 N GLU A 797 8.343 14.996 3.959 1.00 25.23 N ATOM 1394 CA GLU A 797 9.344 15.440 4.914 1.00 62.14 C ATOM 1395 C GLU A 797 10.527 16.060 4.171 1.00 55.05 C ATOM 1396 O GLU A 797 11.201 16.952 4.686 1.00 64.45 O ATOM 1397 CB GLU A 797 9.811 14.268 5.778 1.00 51.02 C ATOM 1398 CG GLU A 797 10.409 14.693 7.105 1.00 63.32 C ATOM 1399 CD GLU A 797 9.388 15.353 8.011 1.00 2.54 C ATOM 1400 OE1 GLU A 797 9.106 16.557 7.826 1.00 2.44 O ATOM 1401 OE2 GLU A 797 8.862 14.676 8.916 1.00 73.03 O ATOM 0 H GLU A 797 8.244 13.983 3.893 1.00 25.23 H new ATOM 0 HA GLU A 797 8.903 16.193 5.567 1.00 62.14 H new ATOM 0 HB2 GLU A 797 8.966 13.606 5.965 1.00 51.02 H new ATOM 0 HB3 GLU A 797 10.551 13.691 5.224 1.00 51.02 H new ATOM 0 HG2 GLU A 797 10.828 13.822 7.608 1.00 63.32 H new ATOM 0 HG3 GLU A 797 11.233 15.384 6.925 1.00 63.32 H new ATOM 1408 N LYS A 798 10.771 15.582 2.952 1.00 64.41 N ATOM 1409 CA LYS A 798 11.816 16.143 2.100 1.00 42.33 C ATOM 1410 C LYS A 798 11.347 17.464 1.498 1.00 70.20 C ATOM 1411 O LYS A 798 12.150 18.298 1.085 1.00 55.24 O ATOM 1412 CB LYS A 798 12.175 15.180 0.964 1.00 51.53 C ATOM 1413 CG LYS A 798 12.413 13.747 1.405 1.00 25.31 C ATOM 1414 CD LYS A 798 13.602 13.619 2.338 1.00 2.21 C ATOM 1415 CE LYS A 798 13.785 12.180 2.793 1.00 72.00 C ATOM 1416 NZ LYS A 798 14.005 11.258 1.646 1.00 42.25 N ATOM 0 H LYS A 798 10.258 14.807 2.532 1.00 64.41 H new ATOM 0 HA LYS A 798 12.698 16.307 2.718 1.00 42.33 H new ATOM 0 HB2 LYS A 798 11.372 15.191 0.227 1.00 51.53 H new ATOM 0 HB3 LYS A 798 13.071 15.546 0.464 1.00 51.53 H new ATOM 0 HG2 LYS A 798 11.520 13.371 1.905 1.00 25.31 H new ATOM 0 HG3 LYS A 798 12.575 13.122 0.527 1.00 25.31 H new ATOM 0 HD2 LYS A 798 14.504 13.962 1.832 1.00 2.21 H new ATOM 0 HD3 LYS A 798 13.459 14.263 3.206 1.00 2.21 H new ATOM 0 HE2 LYS A 798 14.634 12.120 3.475 1.00 72.00 H new ATOM 0 HE3 LYS A 798 12.905 11.861 3.351 1.00 72.00 H new ATOM 0 HZ1 LYS A 798 14.357 10.345 1.997 1.00 42.25 H new ATOM 0 HZ2 LYS A 798 13.108 11.112 1.141 1.00 42.25 H new ATOM 0 HZ3 LYS A 798 14.704 11.672 0.997 1.00 42.25 H new ATOM 1430 N ALA A 799 10.034 17.631 1.435 1.00 34.14 N ATOM 1431 CA ALA A 799 9.432 18.837 0.891 1.00 13.32 C ATOM 1432 C ALA A 799 9.019 19.777 2.016 1.00 64.41 C ATOM 1433 O ALA A 799 9.435 19.603 3.164 1.00 61.43 O ATOM 1434 CB ALA A 799 8.233 18.473 0.024 1.00 44.14 C ATOM 0 H ALA A 799 9.360 16.937 1.758 1.00 34.14 H new ATOM 0 HA ALA A 799 10.166 19.352 0.271 1.00 13.32 H new ATOM 0 HB1 ALA A 799 7.787 19.382 -0.380 1.00 44.14 H new ATOM 0 HB2 ALA A 799 8.558 17.833 -0.796 1.00 44.14 H new ATOM 0 HB3 ALA A 799 7.495 17.944 0.627 1.00 44.14 H new ATOM 1440 N GLU A 800 8.214 20.778 1.692 1.00 41.13 N ATOM 1441 CA GLU A 800 7.747 21.724 2.691 1.00 63.52 C ATOM 1442 C GLU A 800 6.227 21.831 2.656 1.00 62.13 C ATOM 1443 O GLU A 800 5.666 22.647 1.926 1.00 34.20 O ATOM 1444 CB GLU A 800 8.385 23.099 2.460 1.00 41.51 C ATOM 1445 CG GLU A 800 8.037 24.124 3.525 1.00 43.23 C ATOM 1446 CD GLU A 800 8.611 25.490 3.222 1.00 12.24 C ATOM 1447 OE1 GLU A 800 9.759 25.766 3.636 1.00 54.45 O ATOM 1448 OE2 GLU A 800 7.914 26.301 2.577 1.00 72.12 O ATOM 0 H GLU A 800 7.872 20.955 0.747 1.00 41.13 H new ATOM 0 HA GLU A 800 8.044 21.363 3.676 1.00 63.52 H new ATOM 0 HB2 GLU A 800 9.468 22.984 2.420 1.00 41.51 H new ATOM 0 HB3 GLU A 800 8.068 23.477 1.488 1.00 41.51 H new ATOM 0 HG2 GLU A 800 6.953 24.200 3.612 1.00 43.23 H new ATOM 0 HG3 GLU A 800 8.411 23.782 4.490 1.00 43.23 H new ATOM 1455 N ARG A 801 5.561 20.971 3.414 1.00 11.11 N ATOM 1456 CA ARG A 801 4.109 20.983 3.512 1.00 53.43 C ATOM 1457 C ARG A 801 3.690 20.657 4.935 1.00 75.24 C ATOM 1458 O ARG A 801 3.073 21.524 5.591 1.00 37.69 O ATOM 1459 CB ARG A 801 3.475 19.978 2.542 1.00 2.51 C ATOM 1460 CG ARG A 801 3.575 20.382 1.079 1.00 65.34 C ATOM 1461 CD ARG A 801 2.834 21.681 0.810 1.00 43.13 C ATOM 1462 NE ARG A 801 3.012 22.145 -0.565 1.00 32.24 N ATOM 1463 CZ ARG A 801 2.577 23.323 -1.017 1.00 64.11 C ATOM 1464 NH1 ARG A 801 1.918 24.149 -0.211 1.00 62.41 N ATOM 1465 NH2 ARG A 801 2.786 23.663 -2.282 1.00 13.14 N ATOM 1466 OXT ARG A 801 4.020 19.551 5.408 1.00 37.69 O ATOM 0 H ARG A 801 6.010 20.248 3.976 1.00 11.11 H new ATOM 0 HA ARG A 801 3.759 21.980 3.243 1.00 53.43 H new ATOM 0 HB2 ARG A 801 3.955 19.009 2.674 1.00 2.51 H new ATOM 0 HB3 ARG A 801 2.424 19.851 2.802 1.00 2.51 H new ATOM 0 HG2 ARG A 801 4.623 20.495 0.802 1.00 65.34 H new ATOM 0 HG3 ARG A 801 3.164 19.590 0.453 1.00 65.34 H new ATOM 0 HD2 ARG A 801 1.772 21.539 1.009 1.00 43.13 H new ATOM 0 HD3 ARG A 801 3.188 22.448 1.499 1.00 43.13 H new ATOM 0 HE ARG A 801 3.498 21.531 -1.219 1.00 32.24 H new ATOM 0 HH11 ARG A 801 1.743 23.884 0.758 1.00 62.41 H new ATOM 0 HH12 ARG A 801 1.588 25.048 -0.562 1.00 62.41 H new ATOM 0 HH21 ARG A 801 3.278 23.025 -2.907 1.00 13.14 H new ATOM 0 HH22 ARG A 801 2.454 24.563 -2.630 1.00 13.14 H new TER 1480 ARG A 801