USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 543 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 726 SER OG : rot 180:sc= 0 USER MOD Single : A 728 SER OG : rot 93:sc= -1.03 USER MOD Single : A 731 GLN : amide:sc= -7.8! C(o=-7.8!,f=-10!) USER MOD Single : A 735 LYS NZ :NH3+ -168:sc= 1.15 (180deg=1.03) USER MOD Single : A 737 ASN :FLIP amide:sc= -0.442 F(o=-0.96,f=-0.44) USER MOD Single : A 743 GLN :FLIP amide:sc= -0.224 F(o=-1.6!,f=-0.22) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -162:sc= -1.93 (180deg=-2.23) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 77:sc= 1.28 USER MOD Single : A 760 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 761 LYS NZ :NH3+ -130:sc= 0.336 (180deg=-0.0111) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 768 GLN :FLIP amide:sc= -4.6! C(o=-7.3!,f=-4.6!) USER MOD Single : A 771 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 773 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 775 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 776 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.24) USER MOD Single : A 777 GLN :FLIP amide:sc= -1.39 F(o=-4.1!,f=-1.4) USER MOD Single : A 778 MET CE :methyl 176:sc= 0 (180deg=-0.0113) USER MOD Single : A 784 LYS NZ :NH3+ 163:sc= -0.0635 (180deg=-0.36) USER MOD Single : A 793 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.19) USER MOD Single : A 794 SER OG : rot -156:sc= 1.21 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 724 6.604 -2.500 15.466 1.00 0.00 N ATOM 2 CA ASP A 724 5.923 -1.206 15.650 1.00 0.00 C ATOM 3 C ASP A 724 6.812 -0.086 15.204 1.00 0.00 C ATOM 4 O ASP A 724 6.397 0.744 14.401 1.00 0.00 O ATOM 5 CB ASP A 724 5.486 -0.980 17.102 1.00 0.00 C ATOM 6 CG ASP A 724 4.446 -1.961 17.565 1.00 0.00 C ATOM 7 OD1 ASP A 724 3.264 -1.792 17.240 1.00 0.00 O ATOM 8 OD2 ASP A 724 4.794 -2.936 18.259 1.00 0.00 O ATOM 0 HA ASP A 724 5.022 -1.226 15.037 1.00 0.00 H new ATOM 0 HB2 ASP A 724 6.358 -1.050 17.752 1.00 0.00 H new ATOM 0 HB3 ASP A 724 5.093 0.032 17.203 1.00 0.00 H new ATOM 12 N ILE A 725 8.058 -0.052 15.701 1.00 0.00 N ATOM 13 CA ILE A 725 9.016 0.943 15.232 1.00 0.00 C ATOM 14 C ILE A 725 9.296 0.645 13.746 1.00 0.00 C ATOM 15 O ILE A 725 9.303 1.542 12.902 1.00 0.00 O ATOM 16 CB ILE A 725 10.336 0.942 16.080 1.00 0.00 C ATOM 17 CG1 ILE A 725 10.020 1.160 17.581 1.00 0.00 C ATOM 18 CG2 ILE A 725 11.267 2.050 15.601 1.00 0.00 C ATOM 19 CD1 ILE A 725 11.219 1.013 18.499 1.00 0.00 C ATOM 0 H ILE A 725 8.414 -0.690 16.412 1.00 0.00 H new ATOM 0 HA ILE A 725 8.598 1.943 15.349 1.00 0.00 H new ATOM 0 HB ILE A 725 10.821 -0.026 15.953 1.00 0.00 H new ATOM 0 HG12 ILE A 725 9.598 2.157 17.710 1.00 0.00 H new ATOM 0 HG13 ILE A 725 9.254 0.447 17.886 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.180 2.041 16.196 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.516 1.888 14.552 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.772 3.015 15.712 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.910 1.181 19.531 1.00 0.00 H new ATOM 0 HD12 ILE A 725 11.630 0.008 18.403 1.00 0.00 H new ATOM 0 HD13 ILE A 725 11.979 1.744 18.224 1.00 0.00 H new ATOM 31 N SER A 726 9.522 -0.619 13.452 1.00 0.00 N ATOM 32 CA SER A 726 9.575 -1.119 12.102 1.00 0.00 C ATOM 33 C SER A 726 8.291 -1.897 11.852 1.00 0.00 C ATOM 34 O SER A 726 7.504 -2.110 12.792 1.00 0.00 O ATOM 35 CB SER A 726 10.794 -2.016 11.942 1.00 0.00 C ATOM 36 OG SER A 726 11.985 -1.294 12.248 1.00 0.00 O ATOM 0 H SER A 726 9.676 -1.337 14.160 1.00 0.00 H new ATOM 0 HA SER A 726 9.661 -0.306 11.381 1.00 0.00 H new ATOM 0 HB2 SER A 726 10.706 -2.881 12.600 1.00 0.00 H new ATOM 0 HB3 SER A 726 10.843 -2.395 10.921 1.00 0.00 H new ATOM 0 HG SER A 726 12.761 -1.883 12.143 1.00 0.00 H new ATOM 42 N GLU A 727 8.061 -2.303 10.632 1.00 0.00 N ATOM 43 CA GLU A 727 6.924 -3.087 10.327 1.00 0.00 C ATOM 44 C GLU A 727 7.385 -4.493 9.994 1.00 0.00 C ATOM 45 O GLU A 727 8.583 -4.799 10.130 1.00 0.00 O ATOM 46 CB GLU A 727 6.088 -2.428 9.240 1.00 0.00 C ATOM 47 CG GLU A 727 5.638 -1.029 9.632 1.00 0.00 C ATOM 48 CD GLU A 727 4.806 -0.344 8.596 1.00 0.00 C ATOM 49 OE1 GLU A 727 5.366 0.307 7.702 1.00 0.00 O ATOM 50 OE2 GLU A 727 3.567 -0.387 8.681 1.00 0.00 O ATOM 0 H GLU A 727 8.661 -2.094 9.834 1.00 0.00 H new ATOM 0 HA GLU A 727 6.257 -3.159 11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 727 6.668 -2.377 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 727 5.213 -3.045 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 727 5.068 -1.088 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 727 6.518 -0.420 9.837 1.00 0.00 H new ATOM 57 N SER A 728 6.484 -5.314 9.550 1.00 0.00 N ATOM 58 CA SER A 728 6.689 -6.755 9.466 1.00 0.00 C ATOM 59 C SER A 728 7.917 -7.246 8.640 1.00 0.00 C ATOM 60 O SER A 728 8.916 -7.631 9.229 1.00 0.00 O ATOM 61 CB SER A 728 5.407 -7.365 8.972 1.00 0.00 C ATOM 62 OG SER A 728 4.304 -6.710 9.581 1.00 0.00 O ATOM 0 H SER A 728 5.565 -5.012 9.227 1.00 0.00 H new ATOM 0 HA SER A 728 6.947 -7.091 10.470 1.00 0.00 H new ATOM 0 HB2 SER A 728 5.343 -7.275 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 728 5.385 -8.430 9.205 1.00 0.00 H new ATOM 0 HG SER A 728 3.999 -5.978 9.005 1.00 0.00 H new ATOM 68 N LEU A 729 7.867 -7.152 7.317 1.00 0.00 N ATOM 69 CA LEU A 729 8.936 -7.674 6.449 1.00 0.00 C ATOM 70 C LEU A 729 8.575 -7.398 4.997 1.00 0.00 C ATOM 71 O LEU A 729 8.779 -6.304 4.520 1.00 0.00 O ATOM 72 CB LEU A 729 9.175 -9.202 6.658 1.00 0.00 C ATOM 73 CG LEU A 729 10.368 -9.824 5.916 1.00 0.00 C ATOM 74 CD1 LEU A 729 11.660 -9.156 6.329 1.00 0.00 C ATOM 75 CD2 LEU A 729 10.439 -11.318 6.184 1.00 0.00 C ATOM 0 H LEU A 729 7.095 -6.717 6.811 1.00 0.00 H new ATOM 0 HA LEU A 729 9.864 -7.166 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 729 9.307 -9.383 7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 729 8.272 -9.732 6.354 1.00 0.00 H new ATOM 0 HG LEU A 729 10.225 -9.667 4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 729 12.493 -9.611 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 729 11.612 -8.093 6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 729 11.808 -9.282 7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 729 11.289 -11.743 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 729 10.558 -11.491 7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 729 9.521 -11.793 5.840 1.00 0.00 H new ATOM 87 N ARG A 730 7.961 -8.366 4.324 1.00 0.00 N ATOM 88 CA ARG A 730 7.541 -8.165 2.953 1.00 0.00 C ATOM 89 C ARG A 730 6.358 -7.215 2.847 1.00 0.00 C ATOM 90 O ARG A 730 6.267 -6.408 1.920 1.00 0.00 O ATOM 91 CB ARG A 730 7.289 -9.458 2.180 1.00 0.00 C ATOM 92 CG ARG A 730 6.742 -10.623 2.973 1.00 0.00 C ATOM 93 CD ARG A 730 6.386 -11.772 2.051 1.00 0.00 C ATOM 94 NE ARG A 730 5.930 -12.962 2.771 1.00 0.00 N ATOM 95 CZ ARG A 730 4.903 -13.748 2.395 1.00 0.00 C ATOM 96 NH1 ARG A 730 4.148 -13.428 1.338 1.00 0.00 N ATOM 97 NH2 ARG A 730 4.635 -14.852 3.080 1.00 0.00 N ATOM 0 H ARG A 730 7.747 -9.287 4.706 1.00 0.00 H new ATOM 0 HA ARG A 730 8.395 -7.693 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.593 -9.241 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.227 -9.769 1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.480 -10.951 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.859 -10.309 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.605 -11.449 1.362 1.00 0.00 H new ATOM 0 HD3 ARG A 730 7.257 -12.030 1.448 1.00 0.00 H new ATOM 0 HE ARG A 730 6.429 -13.216 3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 730 4.347 -12.580 0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 730 3.373 -14.032 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 730 5.206 -15.102 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 730 3.858 -15.451 2.799 1.00 0.00 H new ATOM 111 N GLN A 731 5.454 -7.330 3.785 1.00 0.00 N ATOM 112 CA GLN A 731 4.307 -6.445 3.856 1.00 0.00 C ATOM 113 C GLN A 731 4.716 -5.160 4.504 1.00 0.00 C ATOM 114 O GLN A 731 4.438 -4.081 4.012 1.00 0.00 O ATOM 115 CB GLN A 731 3.192 -7.104 4.675 1.00 0.00 C ATOM 116 CG GLN A 731 2.064 -6.165 5.125 1.00 0.00 C ATOM 117 CD GLN A 731 1.399 -5.405 3.998 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.944 -4.295 4.192 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.272 -6.023 2.848 1.00 0.00 N ATOM 0 H GLN A 731 5.486 -8.035 4.521 1.00 0.00 H new ATOM 0 HA GLN A 731 3.938 -6.246 2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.757 -7.910 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.636 -7.562 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.308 -6.750 5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.467 -5.450 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.668 -6.955 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.777 -5.572 2.078 1.00 0.00 H new ATOM 128 N GLY A 732 5.417 -5.311 5.586 1.00 0.00 N ATOM 129 CA GLY A 732 5.829 -4.185 6.385 1.00 0.00 C ATOM 130 C GLY A 732 6.837 -3.305 5.693 1.00 0.00 C ATOM 131 O GLY A 732 7.074 -2.178 6.104 1.00 0.00 O ATOM 0 H GLY A 732 5.722 -6.216 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 732 4.953 -3.590 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.254 -4.548 7.321 1.00 0.00 H new ATOM 135 N GLY A 733 7.450 -3.830 4.681 1.00 0.00 N ATOM 136 CA GLY A 733 8.403 -3.093 3.954 1.00 0.00 C ATOM 137 C GLY A 733 8.292 -3.372 2.498 1.00 0.00 C ATOM 138 O GLY A 733 9.051 -4.181 1.959 1.00 0.00 O ATOM 0 H GLY A 733 7.297 -4.781 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.261 -2.028 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.405 -3.345 4.301 1.00 0.00 H new ATOM 142 N GLY A 734 7.334 -2.775 1.865 1.00 0.00 N ATOM 143 CA GLY A 734 7.221 -2.932 0.466 1.00 0.00 C ATOM 144 C GLY A 734 5.905 -2.488 -0.069 1.00 0.00 C ATOM 145 O GLY A 734 5.832 -1.518 -0.809 1.00 0.00 O ATOM 0 H GLY A 734 6.627 -2.180 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 734 8.014 -2.366 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.375 -3.981 0.211 1.00 0.00 H new ATOM 149 N LYS A 735 4.853 -3.176 0.309 1.00 0.00 N ATOM 150 CA LYS A 735 3.559 -2.874 -0.249 1.00 0.00 C ATOM 151 C LYS A 735 2.467 -3.207 0.733 1.00 0.00 C ATOM 152 O LYS A 735 2.718 -3.946 1.657 1.00 0.00 O ATOM 153 CB LYS A 735 3.339 -3.638 -1.572 1.00 0.00 C ATOM 154 CG LYS A 735 2.927 -5.138 -1.490 1.00 0.00 C ATOM 155 CD LYS A 735 3.935 -6.038 -0.761 1.00 0.00 C ATOM 156 CE LYS A 735 5.255 -6.146 -1.514 1.00 0.00 C ATOM 157 NZ LYS A 735 6.197 -7.062 -0.847 1.00 0.00 N ATOM 0 H LYS A 735 4.867 -3.936 0.989 1.00 0.00 H new ATOM 0 HA LYS A 735 3.524 -1.805 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.571 -3.111 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.261 -3.576 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.964 -5.210 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.785 -5.518 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 735 4.119 -5.641 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.507 -7.033 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.066 -6.496 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.707 -5.158 -1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.142 -6.955 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 6.242 -6.836 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.873 -8.043 -0.969 1.00 0.00 H new ATOM 171 N LEU A 736 1.250 -2.694 0.522 1.00 0.00 N ATOM 172 CA LEU A 736 0.144 -3.041 1.435 1.00 0.00 C ATOM 173 C LEU A 736 -1.015 -3.595 0.647 1.00 0.00 C ATOM 174 O LEU A 736 -1.430 -3.018 -0.350 1.00 0.00 O ATOM 175 CB LEU A 736 -0.371 -1.880 2.312 1.00 0.00 C ATOM 176 CG LEU A 736 0.655 -0.900 2.905 1.00 0.00 C ATOM 177 CD1 LEU A 736 0.881 0.280 1.977 1.00 0.00 C ATOM 178 CD2 LEU A 736 0.211 -0.421 4.269 1.00 0.00 C ATOM 0 H LEU A 736 1.006 -2.061 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 736 0.565 -3.779 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.077 -1.301 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -0.933 -2.313 3.139 1.00 0.00 H new ATOM 0 HG LEU A 736 1.600 -1.432 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 736 1.611 0.957 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 736 1.254 -0.078 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.060 0.809 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 736 0.951 0.271 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.750 0.086 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 736 0.111 -1.274 4.940 1.00 0.00 H new ATOM 190 N ASN A 737 -1.549 -4.712 1.059 1.00 0.00 N ATOM 191 CA ASN A 737 -2.660 -5.335 0.309 1.00 0.00 C ATOM 192 C ASN A 737 -3.668 -5.778 1.302 1.00 0.00 C ATOM 193 O ASN A 737 -3.318 -5.987 2.237 1.00 0.00 O ATOM 194 CB ASN A 737 -2.240 -6.572 -0.568 1.00 0.00 C ATOM 195 CG ASN A 737 -1.005 -6.444 -1.495 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.616 -5.275 -1.858 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -0.379 -7.442 -1.832 1.00 0.00 N flip ATOM 0 H ASN A 737 -1.255 -5.220 1.893 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.041 -4.589 -0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.061 -7.409 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.094 -6.841 -1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -0.696 -8.366 -1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 737 0.459 -7.349 -2.406 1.00 0.00 H new ATOM 204 N PHE A 738 -4.929 -5.805 1.062 1.00 0.00 N ATOM 205 CA PHE A 738 -5.902 -6.355 2.057 1.00 0.00 C ATOM 206 C PHE A 738 -5.381 -7.675 2.657 1.00 0.00 C ATOM 207 O PHE A 738 -5.001 -7.697 3.828 1.00 0.00 O ATOM 208 CB PHE A 738 -7.252 -6.544 1.385 1.00 0.00 C ATOM 209 CG PHE A 738 -8.298 -7.204 2.217 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.746 -6.618 3.361 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.816 -8.417 1.846 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.696 -7.222 4.133 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.770 -9.035 2.608 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.212 -8.436 3.759 1.00 0.00 C ATOM 0 H PHE A 738 -5.353 -5.464 0.200 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.017 -5.651 2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.623 -5.567 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.108 -7.133 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.344 -5.662 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.467 -8.891 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.041 -6.744 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.173 -9.990 2.304 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.963 -8.918 4.368 1.00 0.00 H new ATOM 224 N ASP A 739 -5.245 -8.705 1.837 1.00 0.00 N ATOM 225 CA ASP A 739 -4.723 -10.007 2.297 1.00 0.00 C ATOM 226 C ASP A 739 -3.251 -9.964 2.681 1.00 0.00 C ATOM 227 O ASP A 739 -2.790 -10.759 3.494 1.00 0.00 O ATOM 228 CB ASP A 739 -4.988 -11.137 1.302 1.00 0.00 C ATOM 229 CG ASP A 739 -6.275 -11.878 1.604 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.366 -11.332 1.355 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.204 -13.025 2.099 1.00 0.00 O ATOM 0 H ASP A 739 -5.486 -8.677 0.846 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.286 -10.226 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -5.036 -10.726 0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.154 -11.839 1.322 1.00 0.00 H new ATOM 236 N GLU A 740 -2.500 -9.045 2.121 1.00 0.00 N ATOM 237 CA GLU A 740 -1.083 -8.972 2.462 1.00 0.00 C ATOM 238 C GLU A 740 -0.878 -8.050 3.655 1.00 0.00 C ATOM 239 O GLU A 740 -0.018 -8.289 4.487 1.00 0.00 O ATOM 240 CB GLU A 740 -0.240 -8.519 1.274 1.00 0.00 C ATOM 241 CG GLU A 740 1.193 -9.012 1.281 1.00 0.00 C ATOM 242 CD GLU A 740 1.292 -10.450 0.850 1.00 0.00 C ATOM 243 OE1 GLU A 740 0.686 -11.321 1.489 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.973 -10.715 -0.150 1.00 0.00 O ATOM 0 H GLU A 740 -2.825 -8.353 1.446 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.750 -9.974 2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.721 -8.858 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.233 -7.429 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.794 -8.391 0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.610 -8.903 2.282 1.00 0.00 H new ATOM 251 N LEU A 741 -1.688 -7.007 3.744 1.00 0.00 N ATOM 252 CA LEU A 741 -1.662 -6.038 4.846 1.00 0.00 C ATOM 253 C LEU A 741 -1.870 -6.758 6.125 1.00 0.00 C ATOM 254 O LEU A 741 -1.407 -6.339 7.150 1.00 0.00 O ATOM 255 CB LEU A 741 -2.780 -5.003 4.720 1.00 0.00 C ATOM 256 CG LEU A 741 -2.930 -4.071 5.894 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.057 -2.840 5.779 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.344 -3.741 6.100 1.00 0.00 C ATOM 0 H LEU A 741 -2.399 -6.800 3.042 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.698 -5.530 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.602 -4.407 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.724 -5.528 4.571 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.572 -4.592 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.206 -2.205 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.011 -3.140 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.324 -2.287 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.440 -3.067 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.738 -3.256 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.906 -4.654 6.295 1.00 0.00 H new ATOM 270 N ARG A 742 -2.600 -7.874 6.042 1.00 0.00 N ATOM 271 CA ARG A 742 -2.849 -8.707 7.175 1.00 0.00 C ATOM 272 C ARG A 742 -1.553 -9.130 7.712 1.00 0.00 C ATOM 273 O ARG A 742 -1.429 -9.159 8.776 1.00 0.00 O ATOM 274 CB ARG A 742 -3.629 -9.979 6.885 1.00 0.00 C ATOM 275 CG ARG A 742 -4.668 -9.917 5.823 1.00 0.00 C ATOM 276 CD ARG A 742 -5.910 -9.178 6.212 1.00 0.00 C ATOM 277 NE ARG A 742 -7.053 -9.663 5.449 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.645 -10.865 5.576 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.319 -11.694 6.564 1.00 0.00 N ATOM 280 NH2 ARG A 742 -8.553 -11.223 4.696 1.00 0.00 N ATOM 0 H ARG A 742 -3.026 -8.208 5.177 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.452 -8.108 7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.916 -10.757 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.111 -10.297 7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.239 -9.442 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.939 -10.934 5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.097 -9.305 7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.775 -8.111 6.037 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.442 -9.030 4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.608 -11.423 7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -7.780 -12.601 6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.799 -10.593 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.012 -12.130 4.777 1.00 0.00 H new ATOM 294 N GLN A 743 -0.557 -9.374 6.900 1.00 0.00 N ATOM 295 CA GLN A 743 0.758 -9.794 7.392 1.00 0.00 C ATOM 296 C GLN A 743 1.230 -8.834 8.457 1.00 0.00 C ATOM 297 O GLN A 743 1.866 -9.213 9.437 1.00 0.00 O ATOM 298 CB GLN A 743 1.778 -9.817 6.303 1.00 0.00 C ATOM 299 CG GLN A 743 2.573 -11.108 6.244 1.00 0.00 C ATOM 300 CD GLN A 743 2.053 -12.077 5.211 1.00 0.00 C ATOM 301 OE1 GLN A 743 1.601 -11.559 4.103 1.00 0.00 O flip ATOM 302 NE2 GLN A 743 2.117 -13.283 5.390 1.00 0.00 N flip ATOM 0 H GLN A 743 -0.619 -9.292 5.885 1.00 0.00 H new ATOM 0 HA GLN A 743 0.648 -10.802 7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.279 -9.663 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.465 -8.983 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.615 -10.876 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.553 -11.585 7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 743 2.477 -13.649 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.811 -13.924 4.658 1.00 0.00 H new ATOM 311 N ASP A 744 0.827 -7.609 8.276 1.00 0.00 N ATOM 312 CA ASP A 744 1.120 -6.584 9.207 1.00 0.00 C ATOM 313 C ASP A 744 0.181 -6.647 10.400 1.00 0.00 C ATOM 314 O ASP A 744 0.609 -6.661 11.537 1.00 0.00 O ATOM 315 CB ASP A 744 1.060 -5.222 8.587 1.00 0.00 C ATOM 316 CG ASP A 744 2.281 -4.433 9.001 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.338 -4.553 8.323 1.00 0.00 O ATOM 318 OD2 ASP A 744 2.232 -3.734 10.047 1.00 0.00 O ATOM 0 H ASP A 744 0.283 -7.302 7.470 1.00 0.00 H new ATOM 0 HA ASP A 744 2.142 -6.754 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 744 1.017 -5.305 7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.154 -4.705 8.903 1.00 0.00 H new ATOM 323 N LEU A 745 -1.104 -6.703 10.112 1.00 0.00 N ATOM 324 CA LEU A 745 -2.155 -6.727 11.116 1.00 0.00 C ATOM 325 C LEU A 745 -2.974 -8.037 11.142 1.00 0.00 C ATOM 326 O LEU A 745 -4.216 -8.014 11.155 1.00 0.00 O ATOM 327 CB LEU A 745 -3.017 -5.475 10.970 1.00 0.00 C ATOM 328 CG LEU A 745 -3.250 -4.970 9.557 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.286 -5.815 8.845 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.624 -3.496 9.590 1.00 0.00 C ATOM 0 H LEU A 745 -1.456 -6.734 9.155 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.681 -6.712 12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -3.987 -5.675 11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.554 -4.674 11.546 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.327 -5.063 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.435 -5.433 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.941 -6.848 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.228 -5.773 9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -3.790 -3.140 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.535 -3.365 10.174 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -2.815 -2.926 10.047 1.00 0.00 H new ATOM 342 N LYS A 746 -2.271 -9.168 11.072 1.00 0.00 N ATOM 343 CA LYS A 746 -2.893 -10.490 11.087 1.00 0.00 C ATOM 344 C LYS A 746 -3.700 -10.706 12.369 1.00 0.00 C ATOM 345 O LYS A 746 -3.133 -10.920 13.449 1.00 0.00 O ATOM 346 CB LYS A 746 -1.866 -11.673 10.893 1.00 0.00 C ATOM 347 CG LYS A 746 -1.267 -11.852 9.497 1.00 0.00 C ATOM 348 CD LYS A 746 -0.808 -13.277 9.250 1.00 0.00 C ATOM 349 CE LYS A 746 -0.385 -13.474 7.799 1.00 0.00 C ATOM 350 NZ LYS A 746 0.083 -14.849 7.537 1.00 0.00 N ATOM 0 H LYS A 746 -1.254 -9.192 11.003 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.563 -10.507 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -1.047 -11.529 11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.364 -12.602 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -2.008 -11.575 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.422 -11.174 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.026 -13.513 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.614 -13.969 9.494 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -1.225 -13.247 7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.409 -12.769 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.360 -14.937 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 0.902 -15.059 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.683 -15.522 7.744 1.00 0.00 H new ATOM 364 N GLY A 747 -4.998 -10.599 12.253 1.00 0.00 N ATOM 365 CA GLY A 747 -5.857 -10.806 13.381 1.00 0.00 C ATOM 366 C GLY A 747 -6.442 -9.520 13.892 1.00 0.00 C ATOM 367 O GLY A 747 -5.828 -8.846 14.725 1.00 0.00 O ATOM 0 H GLY A 747 -5.481 -10.369 11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.663 -11.484 13.102 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.295 -11.290 14.180 1.00 0.00 H new ATOM 371 N LYS A 748 -7.627 -9.160 13.397 1.00 0.00 N ATOM 372 CA LYS A 748 -8.290 -7.936 13.856 1.00 0.00 C ATOM 373 C LYS A 748 -9.773 -7.909 13.525 1.00 0.00 C ATOM 374 O LYS A 748 -10.573 -7.369 14.288 1.00 0.00 O ATOM 375 CB LYS A 748 -7.593 -6.614 13.415 1.00 0.00 C ATOM 376 CG LYS A 748 -7.847 -6.203 11.996 1.00 0.00 C ATOM 377 CD LYS A 748 -7.426 -7.279 11.058 1.00 0.00 C ATOM 378 CE LYS A 748 -8.118 -7.150 9.773 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.678 -8.183 8.828 1.00 0.00 N ATOM 0 H LYS A 748 -8.141 -9.687 12.691 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.188 -7.977 14.940 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -7.922 -5.811 14.074 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.518 -6.723 13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -8.906 -5.986 11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.302 -5.285 11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.348 -7.230 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.641 -8.254 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.194 -7.229 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -7.928 -6.163 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -7.935 -7.901 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.646 -8.296 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.140 -9.085 9.060 1.00 0.00 H new ATOM 393 N GLY A 749 -10.144 -8.511 12.417 1.00 0.00 N ATOM 394 CA GLY A 749 -11.505 -8.469 12.005 1.00 0.00 C ATOM 395 C GLY A 749 -12.096 -9.853 11.985 1.00 0.00 C ATOM 396 O GLY A 749 -11.367 -10.832 12.109 1.00 0.00 O ATOM 0 H GLY A 749 -9.519 -9.028 11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.076 -7.834 12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.577 -8.023 11.013 1.00 0.00 H new ATOM 400 N HIS A 750 -13.371 -9.946 11.785 1.00 0.00 N ATOM 401 CA HIS A 750 -14.038 -11.237 11.787 1.00 0.00 C ATOM 402 C HIS A 750 -13.973 -11.910 10.427 1.00 0.00 C ATOM 403 O HIS A 750 -13.221 -12.858 10.230 1.00 0.00 O ATOM 404 CB HIS A 750 -15.491 -11.151 12.289 1.00 0.00 C ATOM 405 CG HIS A 750 -15.623 -10.883 13.760 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.578 -11.885 14.712 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.788 -9.731 14.447 1.00 0.00 C ATOM 408 CE1 HIS A 750 -15.710 -11.351 15.916 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.834 -10.056 15.781 1.00 0.00 N ATOM 0 H HIS A 750 -13.985 -9.149 11.616 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.490 -11.859 12.495 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.006 -10.362 11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.000 -12.086 12.055 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.869 -8.740 14.026 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.715 -11.892 16.851 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -15.947 -9.391 16.546 1.00 0.00 H new ATOM 417 N THR A 751 -14.734 -11.421 9.495 1.00 0.00 N ATOM 418 CA THR A 751 -14.780 -12.003 8.176 1.00 0.00 C ATOM 419 C THR A 751 -14.192 -11.026 7.178 1.00 0.00 C ATOM 420 O THR A 751 -14.292 -9.808 7.376 1.00 0.00 O ATOM 421 CB THR A 751 -16.242 -12.358 7.823 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.029 -12.297 9.031 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.326 -13.788 7.306 1.00 0.00 C ATOM 0 H THR A 751 -15.341 -10.611 9.621 1.00 0.00 H new ATOM 0 HA THR A 751 -14.191 -12.920 8.145 1.00 0.00 H new ATOM 0 HB THR A 751 -16.603 -11.662 7.065 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.211 -11.361 9.256 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.361 -14.026 7.061 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.709 -13.889 6.413 1.00 0.00 H new ATOM 0 HG23 THR A 751 -15.968 -14.474 8.074 1.00 0.00 H new ATOM 431 N ASP A 752 -13.562 -11.558 6.127 1.00 0.00 N ATOM 432 CA ASP A 752 -12.864 -10.770 5.091 1.00 0.00 C ATOM 433 C ASP A 752 -13.762 -9.685 4.522 1.00 0.00 C ATOM 434 O ASP A 752 -13.317 -8.584 4.303 1.00 0.00 O ATOM 435 CB ASP A 752 -12.410 -11.700 3.934 1.00 0.00 C ATOM 436 CG ASP A 752 -11.565 -12.867 4.368 1.00 0.00 C ATOM 437 OD1 ASP A 752 -12.080 -13.748 5.097 1.00 0.00 O ATOM 438 OD2 ASP A 752 -10.380 -12.933 3.993 1.00 0.00 O ATOM 0 H ASP A 752 -13.518 -12.564 5.964 1.00 0.00 H new ATOM 0 HA ASP A 752 -11.999 -10.301 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.294 -12.078 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.848 -11.110 3.209 1.00 0.00 H new ATOM 443 N ALA A 753 -15.037 -9.981 4.397 1.00 0.00 N ATOM 444 CA ALA A 753 -16.020 -9.048 3.832 1.00 0.00 C ATOM 445 C ALA A 753 -16.178 -7.809 4.673 1.00 0.00 C ATOM 446 O ALA A 753 -16.294 -6.712 4.151 1.00 0.00 O ATOM 447 CB ALA A 753 -17.351 -9.719 3.611 1.00 0.00 C ATOM 0 H ALA A 753 -15.435 -10.876 4.682 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.632 -8.734 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -18.056 -9.001 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.228 -10.552 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.734 -10.090 4.562 1.00 0.00 H new ATOM 453 N GLU A 754 -16.228 -8.002 5.953 1.00 0.00 N ATOM 454 CA GLU A 754 -16.344 -6.934 6.914 1.00 0.00 C ATOM 455 C GLU A 754 -15.131 -6.043 6.884 1.00 0.00 C ATOM 456 O GLU A 754 -15.250 -4.841 6.882 1.00 0.00 O ATOM 457 CB GLU A 754 -16.467 -7.526 8.301 1.00 0.00 C ATOM 458 CG GLU A 754 -17.826 -8.005 8.703 1.00 0.00 C ATOM 459 CD GLU A 754 -17.771 -8.743 10.007 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.673 -8.101 11.075 1.00 0.00 O ATOM 461 OE2 GLU A 754 -17.794 -9.991 9.990 1.00 0.00 O ATOM 0 H GLU A 754 -16.189 -8.929 6.377 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.225 -6.343 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.773 -8.363 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.142 -6.776 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.504 -7.156 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.230 -8.657 7.929 1.00 0.00 H new ATOM 468 N ILE A 755 -13.989 -6.647 6.815 1.00 0.00 N ATOM 469 CA ILE A 755 -12.734 -5.935 6.870 1.00 0.00 C ATOM 470 C ILE A 755 -12.454 -5.248 5.527 1.00 0.00 C ATOM 471 O ILE A 755 -11.952 -4.127 5.480 1.00 0.00 O ATOM 472 CB ILE A 755 -11.593 -6.913 7.173 1.00 0.00 C ATOM 473 CG1 ILE A 755 -11.948 -7.792 8.388 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.343 -6.106 7.458 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.068 -9.035 8.583 1.00 0.00 C ATOM 0 H ILE A 755 -13.890 -7.658 6.718 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.797 -5.184 7.657 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.429 -7.571 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.887 -7.180 9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -12.985 -8.114 8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.516 -6.781 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.095 -5.499 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.517 -5.456 8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.402 -9.583 9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.146 -9.677 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.031 -8.729 8.718 1.00 0.00 H new ATOM 487 N GLU A 756 -12.807 -5.914 4.460 1.00 0.00 N ATOM 488 CA GLU A 756 -12.578 -5.435 3.125 1.00 0.00 C ATOM 489 C GLU A 756 -13.394 -4.158 2.869 1.00 0.00 C ATOM 490 O GLU A 756 -12.942 -3.255 2.229 1.00 0.00 O ATOM 491 CB GLU A 756 -12.897 -6.508 2.098 1.00 0.00 C ATOM 492 CG GLU A 756 -12.406 -6.199 0.691 1.00 0.00 C ATOM 493 CD GLU A 756 -12.809 -7.246 -0.302 1.00 0.00 C ATOM 494 OE1 GLU A 756 -12.120 -8.278 -0.429 1.00 0.00 O ATOM 495 OE2 GLU A 756 -13.833 -7.067 -0.980 1.00 0.00 O ATOM 0 H GLU A 756 -13.271 -6.822 4.496 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.521 -5.190 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.455 -7.449 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -13.977 -6.656 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.801 -5.233 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.320 -6.111 0.700 1.00 0.00 H new ATOM 502 N ALA A 757 -14.627 -4.169 3.272 1.00 0.00 N ATOM 503 CA ALA A 757 -15.498 -3.000 3.147 1.00 0.00 C ATOM 504 C ALA A 757 -15.081 -1.870 4.105 1.00 0.00 C ATOM 505 O ALA A 757 -14.904 -0.711 3.676 1.00 0.00 O ATOM 506 CB ALA A 757 -16.929 -3.391 3.426 1.00 0.00 C ATOM 0 H ALA A 757 -15.075 -4.980 3.699 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.404 -2.630 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.571 -2.515 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.244 -4.151 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.007 -3.789 4.438 1.00 0.00 H new ATOM 512 N ILE A 758 -14.876 -2.222 5.382 1.00 0.00 N ATOM 513 CA ILE A 758 -14.595 -1.239 6.431 1.00 0.00 C ATOM 514 C ILE A 758 -13.401 -0.389 6.067 1.00 0.00 C ATOM 515 O ILE A 758 -13.457 0.837 6.170 1.00 0.00 O ATOM 516 CB ILE A 758 -14.412 -1.895 7.869 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.344 -0.836 8.998 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.192 -2.785 7.935 1.00 0.00 C ATOM 519 CD1 ILE A 758 -12.943 -0.303 9.326 1.00 0.00 C ATOM 0 H ILE A 758 -14.900 -3.187 5.712 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.474 -0.598 6.497 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.300 -2.507 8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -14.977 0.006 8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.769 -1.269 9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.106 -3.211 8.934 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.288 -3.588 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.301 -2.198 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.012 0.431 10.129 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.305 -1.128 9.642 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.516 0.167 8.440 1.00 0.00 H new ATOM 531 N PHE A 759 -12.338 -1.030 5.582 1.00 0.00 N ATOM 532 CA PHE A 759 -11.135 -0.309 5.273 1.00 0.00 C ATOM 533 C PHE A 759 -11.364 0.669 4.103 1.00 0.00 C ATOM 534 O PHE A 759 -10.831 1.731 4.068 1.00 0.00 O ATOM 535 CB PHE A 759 -9.961 -1.296 4.965 1.00 0.00 C ATOM 536 CG PHE A 759 -9.842 -1.834 3.518 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.484 -1.002 2.451 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.069 -3.155 3.244 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.376 -1.491 1.175 1.00 0.00 C ATOM 540 CE2 PHE A 759 -9.949 -3.648 1.955 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.611 -2.816 0.927 1.00 0.00 C ATOM 0 H PHE A 759 -12.299 -2.033 5.402 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.857 0.280 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.026 -0.795 5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.055 -2.150 5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.289 0.044 2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.346 -3.824 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.105 -0.830 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.124 -4.696 1.762 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.529 -3.202 -0.078 1.00 0.00 H new ATOM 551 N THR A 760 -12.212 0.320 3.217 1.00 0.00 N ATOM 552 CA THR A 760 -12.435 1.096 2.027 1.00 0.00 C ATOM 553 C THR A 760 -12.897 2.513 2.403 1.00 0.00 C ATOM 554 O THR A 760 -12.543 3.504 1.760 1.00 0.00 O ATOM 555 CB THR A 760 -13.438 0.359 1.120 1.00 0.00 C ATOM 556 OG1 THR A 760 -12.910 -0.954 0.828 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.629 1.069 -0.179 1.00 0.00 C ATOM 0 H THR A 760 -12.787 -0.520 3.282 1.00 0.00 H new ATOM 0 HA THR A 760 -11.508 1.208 1.465 1.00 0.00 H new ATOM 0 HB THR A 760 -14.395 0.310 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.092 -1.555 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.343 0.520 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.008 2.074 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.675 1.133 -0.702 1.00 0.00 H new ATOM 565 N LYS A 761 -13.675 2.591 3.451 1.00 0.00 N ATOM 566 CA LYS A 761 -14.118 3.883 3.946 1.00 0.00 C ATOM 567 C LYS A 761 -13.214 4.406 5.086 1.00 0.00 C ATOM 568 O LYS A 761 -12.782 5.562 5.061 1.00 0.00 O ATOM 569 CB LYS A 761 -15.580 3.823 4.357 1.00 0.00 C ATOM 570 CG LYS A 761 -16.321 5.178 4.344 1.00 0.00 C ATOM 571 CD LYS A 761 -17.826 4.987 4.487 1.00 0.00 C ATOM 572 CE LYS A 761 -18.208 4.374 5.827 1.00 0.00 C ATOM 573 NZ LYS A 761 -18.000 5.298 6.954 1.00 0.00 N ATOM 0 H LYS A 761 -14.016 1.788 3.979 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.030 4.603 3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.101 3.136 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.642 3.402 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -15.953 5.804 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.106 5.704 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.324 5.950 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.187 4.347 3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -19.255 4.072 5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -17.620 3.471 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -17.459 4.818 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -17.473 6.132 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -18.921 5.597 7.332 1.00 0.00 H new ATOM 587 N TYR A 762 -12.870 3.540 6.041 1.00 0.00 N ATOM 588 CA TYR A 762 -12.142 3.964 7.250 1.00 0.00 C ATOM 589 C TYR A 762 -10.608 3.832 7.171 1.00 0.00 C ATOM 590 O TYR A 762 -9.901 4.484 7.949 1.00 0.00 O ATOM 591 CB TYR A 762 -12.635 3.205 8.478 1.00 0.00 C ATOM 592 CG TYR A 762 -13.953 3.655 9.086 1.00 0.00 C ATOM 593 CD1 TYR A 762 -13.966 4.661 10.026 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.168 3.041 8.771 1.00 0.00 C ATOM 595 CE1 TYR A 762 -15.141 5.055 10.647 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.344 3.434 9.379 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.326 4.431 10.316 1.00 0.00 C ATOM 598 OH TYR A 762 -17.501 4.804 10.928 1.00 0.00 O ATOM 0 H TYR A 762 -13.081 2.543 6.006 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.359 5.029 7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.728 2.152 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.867 3.272 9.248 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -13.041 5.154 10.285 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.188 2.246 8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -15.129 5.844 11.384 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.276 2.956 9.116 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.239 4.263 10.576 1.00 0.00 H new ATOM 608 N ASP A 763 -10.094 3.006 6.280 1.00 0.00 N ATOM 609 CA ASP A 763 -8.624 2.813 6.136 1.00 0.00 C ATOM 610 C ASP A 763 -7.957 4.088 5.701 1.00 0.00 C ATOM 611 O ASP A 763 -8.611 4.960 5.105 1.00 0.00 O ATOM 612 CB ASP A 763 -8.273 1.724 5.126 1.00 0.00 C ATOM 613 CG ASP A 763 -6.801 1.411 5.104 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.270 0.950 6.119 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.151 1.700 4.067 1.00 0.00 O ATOM 0 H ASP A 763 -10.654 2.448 5.635 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.264 2.509 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.830 0.818 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.589 2.040 4.132 1.00 0.00 H new ATOM 620 N GLN A 764 -6.684 4.211 6.012 1.00 0.00 N ATOM 621 CA GLN A 764 -5.909 5.368 5.642 1.00 0.00 C ATOM 622 C GLN A 764 -5.944 5.593 4.128 1.00 0.00 C ATOM 623 O GLN A 764 -6.177 6.711 3.676 1.00 0.00 O ATOM 624 CB GLN A 764 -4.458 5.246 6.125 1.00 0.00 C ATOM 625 CG GLN A 764 -3.596 6.462 5.802 1.00 0.00 C ATOM 626 CD GLN A 764 -2.130 6.211 6.029 1.00 0.00 C ATOM 627 OE1 GLN A 764 -1.602 6.479 7.103 1.00 0.00 O ATOM 628 NE2 GLN A 764 -1.471 5.666 5.039 1.00 0.00 N ATOM 0 H GLN A 764 -6.159 3.507 6.530 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.361 6.231 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.456 5.088 7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.008 4.363 5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -3.755 6.749 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -3.916 7.303 6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.948 5.459 4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -0.480 5.448 5.145 1.00 0.00 H new ATOM 637 N ASP A 765 -5.754 4.545 3.341 1.00 0.00 N ATOM 638 CA ASP A 765 -5.746 4.760 1.911 1.00 0.00 C ATOM 639 C ASP A 765 -6.966 4.222 1.219 1.00 0.00 C ATOM 640 O ASP A 765 -7.224 4.591 0.076 1.00 0.00 O ATOM 641 CB ASP A 765 -4.481 4.167 1.280 1.00 0.00 C ATOM 642 CG ASP A 765 -3.193 4.818 1.788 1.00 0.00 C ATOM 643 OD1 ASP A 765 -2.650 4.386 2.828 1.00 0.00 O ATOM 644 OD2 ASP A 765 -2.698 5.761 1.147 1.00 0.00 O ATOM 0 H ASP A 765 -5.610 3.584 3.651 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.755 5.841 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -4.446 3.097 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.535 4.280 0.197 1.00 0.00 H new ATOM 649 N GLY A 766 -7.785 3.435 1.927 1.00 0.00 N ATOM 650 CA GLY A 766 -9.014 2.855 1.320 1.00 0.00 C ATOM 651 C GLY A 766 -8.708 2.063 0.045 1.00 0.00 C ATOM 652 O GLY A 766 -9.585 1.840 -0.791 1.00 0.00 O ATOM 0 H GLY A 766 -7.634 3.182 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.502 2.202 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.716 3.656 1.089 1.00 0.00 H new ATOM 656 N ASP A 767 -7.459 1.667 -0.091 1.00 0.00 N ATOM 657 CA ASP A 767 -6.973 0.940 -1.243 1.00 0.00 C ATOM 658 C ASP A 767 -6.744 -0.487 -0.837 1.00 0.00 C ATOM 659 O ASP A 767 -7.455 -1.383 -1.300 1.00 0.00 O ATOM 660 CB ASP A 767 -5.669 1.578 -1.823 1.00 0.00 C ATOM 661 CG ASP A 767 -5.873 2.830 -2.660 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.872 2.924 -3.401 1.00 0.00 O ATOM 663 OD2 ASP A 767 -4.999 3.734 -2.627 1.00 0.00 O ATOM 0 H ASP A 767 -6.740 1.846 0.610 1.00 0.00 H new ATOM 0 HA ASP A 767 -7.717 0.985 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.003 1.820 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.160 0.832 -2.434 1.00 0.00 H new ATOM 668 N GLN A 768 -5.751 -0.660 0.056 1.00 0.00 N ATOM 669 CA GLN A 768 -5.389 -1.914 0.740 1.00 0.00 C ATOM 670 C GLN A 768 -5.508 -3.115 -0.181 1.00 0.00 C ATOM 671 O GLN A 768 -6.492 -3.846 -0.116 1.00 0.00 O ATOM 672 CB GLN A 768 -6.270 -2.080 1.981 1.00 0.00 C ATOM 673 CG GLN A 768 -5.632 -2.705 3.144 1.00 0.00 C ATOM 674 CD GLN A 768 -6.621 -2.808 4.282 1.00 0.00 C ATOM 675 OE1 GLN A 768 -7.291 -3.912 4.369 1.00 0.00 O flip ATOM 676 NE2 GLN A 768 -6.755 -1.918 5.102 1.00 0.00 N flip ATOM 0 H GLN A 768 -5.148 0.114 0.334 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.343 -1.858 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.635 -1.097 2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.141 -2.674 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.265 -3.697 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.768 -2.118 3.454 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -6.216 -1.057 5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.406 -2.034 5.878 1.00 0.00 H new ATOM 685 N GLU A 769 -4.466 -3.328 -1.002 1.00 0.00 N ATOM 686 CA GLU A 769 -4.379 -4.416 -2.036 1.00 0.00 C ATOM 687 C GLU A 769 -3.409 -4.015 -3.162 1.00 0.00 C ATOM 688 O GLU A 769 -3.432 -4.590 -4.254 1.00 0.00 O ATOM 689 CB GLU A 769 -5.736 -4.815 -2.675 1.00 0.00 C ATOM 690 CG GLU A 769 -6.393 -3.836 -3.644 1.00 0.00 C ATOM 691 CD GLU A 769 -7.485 -4.514 -4.373 1.00 0.00 C ATOM 692 OE1 GLU A 769 -8.549 -4.731 -3.784 1.00 0.00 O ATOM 693 OE2 GLU A 769 -7.275 -4.929 -5.528 1.00 0.00 O ATOM 0 H GLU A 769 -3.631 -2.743 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.017 -5.287 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.591 -5.758 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.441 -5.007 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.785 -2.977 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.654 -3.455 -4.349 1.00 0.00 H new ATOM 700 N LEU A 770 -2.509 -3.101 -2.881 1.00 0.00 N ATOM 701 CA LEU A 770 -1.675 -2.543 -3.930 1.00 0.00 C ATOM 702 C LEU A 770 -0.187 -2.851 -3.694 1.00 0.00 C ATOM 703 O LEU A 770 0.309 -2.648 -2.587 1.00 0.00 O ATOM 704 CB LEU A 770 -1.878 -1.014 -4.015 1.00 0.00 C ATOM 705 CG LEU A 770 -3.078 -0.434 -4.795 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.413 -0.816 -4.177 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.954 1.073 -4.886 1.00 0.00 C ATOM 0 H LEU A 770 -2.334 -2.729 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 770 -1.975 -3.007 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.944 -0.639 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.973 -0.591 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.055 -0.866 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.223 -0.383 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.512 -1.901 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.463 -0.438 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.804 1.475 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -2.939 1.498 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -2.030 1.331 -5.404 1.00 0.00 H new ATOM 719 N THR A 771 0.524 -3.352 -4.700 1.00 0.00 N ATOM 720 CA THR A 771 1.927 -3.638 -4.539 1.00 0.00 C ATOM 721 C THR A 771 2.750 -2.368 -4.780 1.00 0.00 C ATOM 722 O THR A 771 2.213 -1.363 -5.267 1.00 0.00 O ATOM 723 CB THR A 771 2.415 -4.738 -5.497 1.00 0.00 C ATOM 724 OG1 THR A 771 2.662 -4.200 -6.768 1.00 0.00 O ATOM 725 CG2 THR A 771 1.372 -5.795 -5.645 1.00 0.00 C ATOM 0 H THR A 771 0.147 -3.563 -5.624 1.00 0.00 H new ATOM 0 HA THR A 771 2.064 -3.995 -3.518 1.00 0.00 H new ATOM 0 HB THR A 771 3.328 -5.163 -5.081 1.00 0.00 H new ATOM 0 HG1 THR A 771 2.974 -4.909 -7.368 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.731 -6.567 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 771 1.162 -6.238 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.460 -5.353 -6.046 1.00 0.00 H new ATOM 733 N GLU A 772 4.049 -2.414 -4.436 1.00 0.00 N ATOM 734 CA GLU A 772 4.963 -1.315 -4.625 1.00 0.00 C ATOM 735 C GLU A 772 4.997 -0.938 -6.089 1.00 0.00 C ATOM 736 O GLU A 772 5.011 0.229 -6.424 1.00 0.00 O ATOM 737 CB GLU A 772 6.343 -1.701 -4.059 1.00 0.00 C ATOM 738 CG GLU A 772 7.377 -0.593 -3.942 1.00 0.00 C ATOM 739 CD GLU A 772 8.038 -0.277 -5.248 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.609 -1.206 -5.865 1.00 0.00 O ATOM 741 OE2 GLU A 772 7.993 0.886 -5.680 1.00 0.00 O ATOM 0 H GLU A 772 4.482 -3.235 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 772 4.633 -0.430 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.194 -2.131 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.759 -2.487 -4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 772 6.897 0.306 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 772 8.136 -0.886 -3.217 1.00 0.00 H new ATOM 748 N HIS A 773 4.895 -1.946 -6.969 1.00 0.00 N ATOM 749 CA HIS A 773 4.944 -1.665 -8.403 1.00 0.00 C ATOM 750 C HIS A 773 3.705 -0.928 -8.855 1.00 0.00 C ATOM 751 O HIS A 773 3.788 -0.053 -9.703 1.00 0.00 O ATOM 752 CB HIS A 773 5.188 -2.920 -9.250 1.00 0.00 C ATOM 753 CG HIS A 773 6.539 -3.529 -9.040 1.00 0.00 C ATOM 754 ND1 HIS A 773 7.543 -3.462 -9.976 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.053 -4.220 -8.000 1.00 0.00 C ATOM 756 CE1 HIS A 773 8.610 -4.086 -9.518 1.00 0.00 C ATOM 757 NE2 HIS A 773 8.336 -4.550 -8.326 1.00 0.00 N ATOM 0 H HIS A 773 4.782 -2.929 -6.721 1.00 0.00 H new ATOM 0 HA HIS A 773 5.805 -1.017 -8.563 1.00 0.00 H new ATOM 0 HB2 HIS A 773 4.424 -3.661 -9.016 1.00 0.00 H new ATOM 0 HB3 HIS A 773 5.073 -2.666 -10.304 1.00 0.00 H new ATOM 0 HD2 HIS A 773 6.543 -4.466 -7.080 1.00 0.00 H new ATOM 0 HE1 HIS A 773 9.550 -4.195 -10.038 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.980 -5.075 -7.734 1.00 0.00 H new ATOM 765 N GLU A 774 2.561 -1.230 -8.252 1.00 0.00 N ATOM 766 CA GLU A 774 1.332 -0.528 -8.649 1.00 0.00 C ATOM 767 C GLU A 774 1.308 0.876 -8.045 1.00 0.00 C ATOM 768 O GLU A 774 0.928 1.855 -8.701 1.00 0.00 O ATOM 769 CB GLU A 774 0.094 -1.284 -8.234 1.00 0.00 C ATOM 770 CG GLU A 774 0.083 -2.728 -8.672 1.00 0.00 C ATOM 771 CD GLU A 774 -1.083 -3.458 -8.093 1.00 0.00 C ATOM 772 OE1 GLU A 774 -0.994 -3.935 -6.948 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.140 -3.535 -8.750 1.00 0.00 O ATOM 0 H GLU A 774 2.451 -1.926 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 774 1.332 -0.458 -9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 774 0.002 -1.243 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.781 -0.783 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 774 0.045 -2.781 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 774 1.009 -3.212 -8.362 1.00 0.00 H new ATOM 780 N HIS A 775 1.773 0.959 -6.815 1.00 0.00 N ATOM 781 CA HIS A 775 1.856 2.184 -6.031 1.00 0.00 C ATOM 782 C HIS A 775 2.828 3.142 -6.686 1.00 0.00 C ATOM 783 O HIS A 775 2.662 4.352 -6.622 1.00 0.00 O ATOM 784 CB HIS A 775 2.289 1.805 -4.602 1.00 0.00 C ATOM 785 CG HIS A 775 2.501 2.940 -3.656 1.00 0.00 C ATOM 786 ND1 HIS A 775 1.629 4.002 -3.529 1.00 0.00 N ATOM 787 CD2 HIS A 775 3.513 3.177 -2.803 1.00 0.00 C ATOM 788 CE1 HIS A 775 2.112 4.848 -2.635 1.00 0.00 C ATOM 789 NE2 HIS A 775 3.247 4.373 -2.184 1.00 0.00 N ATOM 0 H HIS A 775 2.119 0.143 -6.310 1.00 0.00 H new ATOM 0 HA HIS A 775 0.892 2.690 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.534 1.143 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 775 3.215 1.233 -4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 775 4.373 2.545 -2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 775 1.649 5.774 -2.328 1.00 0.00 H new ATOM 0 HE2 HIS A 775 3.839 4.821 -1.484 1.00 0.00 H new ATOM 797 N GLN A 776 3.816 2.578 -7.333 1.00 0.00 N ATOM 798 CA GLN A 776 4.812 3.324 -8.058 1.00 0.00 C ATOM 799 C GLN A 776 4.181 4.088 -9.228 1.00 0.00 C ATOM 800 O GLN A 776 4.635 5.172 -9.608 1.00 0.00 O ATOM 801 CB GLN A 776 5.893 2.356 -8.562 1.00 0.00 C ATOM 802 CG GLN A 776 7.178 3.004 -9.045 1.00 0.00 C ATOM 803 CD GLN A 776 7.826 3.870 -7.978 1.00 0.00 C ATOM 804 OE1 GLN A 776 7.581 5.073 -7.905 1.00 0.00 O ATOM 805 NE2 GLN A 776 8.579 3.267 -7.104 1.00 0.00 N ATOM 0 H GLN A 776 3.953 1.568 -7.371 1.00 0.00 H new ATOM 0 HA GLN A 776 5.264 4.060 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 776 6.137 1.661 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 776 5.476 1.766 -9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 776 7.879 2.229 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 776 6.967 3.613 -9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 776 8.763 2.268 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 776 8.985 3.794 -6.331 1.00 0.00 H new ATOM 814 N GLN A 777 3.176 3.493 -9.813 1.00 0.00 N ATOM 815 CA GLN A 777 2.514 4.048 -10.985 1.00 0.00 C ATOM 816 C GLN A 777 1.359 5.015 -10.638 1.00 0.00 C ATOM 817 O GLN A 777 1.183 6.038 -11.292 1.00 0.00 O ATOM 818 CB GLN A 777 1.971 2.912 -11.854 1.00 0.00 C ATOM 819 CG GLN A 777 2.974 1.812 -12.156 1.00 0.00 C ATOM 820 CD GLN A 777 2.320 0.454 -12.459 1.00 0.00 C ATOM 821 OE1 GLN A 777 1.182 0.175 -11.830 1.00 0.00 O flip ATOM 822 NE2 GLN A 777 2.854 -0.345 -13.230 1.00 0.00 N flip ATOM 0 H GLN A 777 2.785 2.606 -9.496 1.00 0.00 H new ATOM 0 HA GLN A 777 3.266 4.627 -11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 777 1.108 2.472 -11.355 1.00 0.00 H new ATOM 0 HB3 GLN A 777 1.616 3.330 -12.796 1.00 0.00 H new ATOM 0 HG2 GLN A 777 3.584 2.111 -13.008 1.00 0.00 H new ATOM 0 HG3 GLN A 777 3.647 1.701 -11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 777 3.727 -0.098 -13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 777 2.423 -1.253 -13.402 1.00 0.00 H new ATOM 831 N MET A 778 0.564 4.644 -9.655 1.00 0.00 N ATOM 832 CA MET A 778 -0.716 5.330 -9.389 1.00 0.00 C ATOM 833 C MET A 778 -0.629 6.641 -8.574 1.00 0.00 C ATOM 834 O MET A 778 -0.525 7.712 -9.171 1.00 0.00 O ATOM 835 CB MET A 778 -1.769 4.326 -8.879 1.00 0.00 C ATOM 836 CG MET A 778 -2.186 3.293 -9.946 1.00 0.00 C ATOM 837 SD MET A 778 -2.995 1.823 -9.265 1.00 0.00 S ATOM 838 CE MET A 778 -4.433 2.544 -8.473 1.00 0.00 C ATOM 0 H MET A 778 0.768 3.873 -9.019 1.00 0.00 H new ATOM 0 HA MET A 778 -1.057 5.711 -10.352 1.00 0.00 H new ATOM 0 HB2 MET A 778 -1.372 3.802 -8.010 1.00 0.00 H new ATOM 0 HB3 MET A 778 -2.652 4.872 -8.546 1.00 0.00 H new ATOM 0 HG2 MET A 778 -2.860 3.771 -10.657 1.00 0.00 H new ATOM 0 HG3 MET A 778 -1.302 2.984 -10.504 1.00 0.00 H new ATOM 0 HE1 MET A 778 -5.063 1.751 -8.071 1.00 0.00 H new ATOM 0 HE2 MET A 778 -4.112 3.198 -7.662 1.00 0.00 H new ATOM 0 HE3 MET A 778 -4.999 3.122 -9.203 1.00 0.00 H new ATOM 848 N ARG A 779 -0.634 6.585 -7.239 1.00 0.00 N ATOM 849 CA ARG A 779 -0.652 7.811 -6.479 1.00 0.00 C ATOM 850 C ARG A 779 0.697 8.386 -6.235 1.00 0.00 C ATOM 851 O ARG A 779 1.733 7.817 -6.606 1.00 0.00 O ATOM 852 CB ARG A 779 -1.450 7.739 -5.193 1.00 0.00 C ATOM 853 CG ARG A 779 -2.949 7.839 -5.394 1.00 0.00 C ATOM 854 CD ARG A 779 -3.664 7.874 -4.069 1.00 0.00 C ATOM 855 NE ARG A 779 -3.361 6.687 -3.312 1.00 0.00 N ATOM 856 CZ ARG A 779 -3.145 6.627 -2.005 1.00 0.00 C ATOM 857 NH1 ARG A 779 -2.970 7.733 -1.283 1.00 0.00 N ATOM 858 NH2 ARG A 779 -3.077 5.456 -1.424 1.00 0.00 N ATOM 0 H ARG A 779 -0.626 5.727 -6.688 1.00 0.00 H new ATOM 0 HA ARG A 779 -1.183 8.500 -7.135 1.00 0.00 H new ATOM 0 HB2 ARG A 779 -1.223 6.800 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 779 -1.128 8.543 -4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 779 -3.185 8.738 -5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 779 -3.300 6.989 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 779 -3.364 8.759 -3.508 1.00 0.00 H new ATOM 0 HD3 ARG A 779 -4.740 7.948 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 779 -3.307 5.810 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 779 -3.001 8.647 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 779 -2.805 7.666 -0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 779 -3.190 4.606 -1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 779 -2.911 5.394 -0.419 1.00 0.00 H new ATOM 872 N ASP A 780 0.676 9.505 -5.580 1.00 0.00 N ATOM 873 CA ASP A 780 1.804 10.324 -5.424 1.00 0.00 C ATOM 874 C ASP A 780 1.870 10.854 -3.988 1.00 0.00 C ATOM 875 O ASP A 780 1.128 11.774 -3.638 1.00 0.00 O ATOM 876 CB ASP A 780 1.650 11.518 -6.358 1.00 0.00 C ATOM 877 CG ASP A 780 1.377 11.187 -7.797 1.00 0.00 C ATOM 878 OD1 ASP A 780 2.330 10.920 -8.551 1.00 0.00 O ATOM 879 OD2 ASP A 780 0.194 11.231 -8.212 1.00 0.00 O ATOM 0 H ASP A 780 -0.162 9.872 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 780 2.706 9.753 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 780 0.838 12.143 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 780 2.560 12.115 -6.308 1.00 0.00 H new ATOM 884 N ASP A 781 2.689 10.258 -3.148 1.00 0.00 N ATOM 885 CA ASP A 781 2.831 10.745 -1.753 1.00 0.00 C ATOM 886 C ASP A 781 3.853 11.849 -1.647 1.00 0.00 C ATOM 887 O ASP A 781 3.555 12.931 -1.154 1.00 0.00 O ATOM 888 CB ASP A 781 3.184 9.607 -0.784 1.00 0.00 C ATOM 889 CG ASP A 781 3.112 10.030 0.665 1.00 0.00 C ATOM 890 OD1 ASP A 781 1.985 10.283 1.177 1.00 0.00 O ATOM 891 OD2 ASP A 781 4.171 10.071 1.328 1.00 0.00 O ATOM 0 H ASP A 781 3.265 9.449 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 781 1.859 11.148 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 781 2.504 8.771 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 781 4.189 9.247 -1.004 1.00 0.00 H new ATOM 896 N LEU A 782 5.015 11.600 -2.186 1.00 0.00 N ATOM 897 CA LEU A 782 6.168 12.538 -2.077 1.00 0.00 C ATOM 898 C LEU A 782 5.956 13.736 -3.003 1.00 0.00 C ATOM 899 O LEU A 782 6.573 14.789 -2.825 1.00 0.00 O ATOM 900 CB LEU A 782 7.463 11.824 -2.485 1.00 0.00 C ATOM 901 CG LEU A 782 8.776 12.531 -2.150 1.00 0.00 C ATOM 902 CD1 LEU A 782 9.013 12.585 -0.647 1.00 0.00 C ATOM 903 CD2 LEU A 782 9.920 11.845 -2.853 1.00 0.00 C ATOM 0 H LEU A 782 5.219 10.753 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 782 6.242 12.878 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 782 7.474 10.843 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 782 7.433 11.656 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 782 8.711 13.561 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.955 13.094 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 782 8.197 13.128 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.056 11.571 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.853 12.353 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 782 9.977 10.806 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 782 9.758 11.879 -3.930 1.00 0.00 H new ATOM 915 N GLU A 783 5.060 13.562 -3.999 1.00 0.00 N ATOM 916 CA GLU A 783 4.726 14.637 -4.958 1.00 0.00 C ATOM 917 C GLU A 783 4.236 15.843 -4.217 1.00 0.00 C ATOM 918 O GLU A 783 4.527 16.986 -4.567 1.00 0.00 O ATOM 919 CB GLU A 783 3.554 14.221 -5.822 1.00 0.00 C ATOM 920 CG GLU A 783 3.133 15.247 -6.901 1.00 0.00 C ATOM 921 CD GLU A 783 4.203 15.514 -7.936 1.00 0.00 C ATOM 922 OE1 GLU A 783 4.355 14.702 -8.890 1.00 0.00 O ATOM 923 OE2 GLU A 783 4.887 16.548 -7.837 1.00 0.00 O ATOM 0 H GLU A 783 4.556 12.690 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 783 5.622 14.838 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 783 3.802 13.281 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 783 2.698 14.026 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 783 2.236 14.885 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 783 2.869 16.186 -6.414 1.00 0.00 H new ATOM 930 N LYS A 784 3.559 15.575 -3.126 1.00 0.00 N ATOM 931 CA LYS A 784 2.947 16.569 -2.382 1.00 0.00 C ATOM 932 C LYS A 784 2.915 16.209 -0.908 1.00 0.00 C ATOM 933 O LYS A 784 1.883 15.754 -0.385 1.00 0.00 O ATOM 934 CB LYS A 784 1.559 16.841 -2.882 1.00 0.00 C ATOM 935 CG LYS A 784 1.513 17.922 -3.938 1.00 0.00 C ATOM 936 CD LYS A 784 0.224 18.671 -3.867 1.00 0.00 C ATOM 937 CE LYS A 784 0.143 19.530 -2.600 1.00 0.00 C ATOM 938 NZ LYS A 784 1.219 20.545 -2.532 1.00 0.00 N ATOM 0 H LYS A 784 3.435 14.634 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 784 3.538 17.477 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 784 1.140 15.922 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 784 0.927 17.133 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 784 2.347 18.609 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 784 1.628 17.477 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 784 0.123 19.307 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 784 -0.608 17.967 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 784 -0.825 20.029 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 784 0.201 18.885 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 0.967 21.272 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 2.110 20.088 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 1.337 20.989 -3.465 1.00 0.00 H new ATOM 952 N GLU A 785 4.063 16.322 -0.293 1.00 0.00 N ATOM 953 CA GLU A 785 4.297 16.050 1.126 1.00 0.00 C ATOM 954 C GLU A 785 5.761 16.305 1.352 1.00 0.00 C ATOM 955 O GLU A 785 6.595 15.864 0.562 1.00 0.00 O ATOM 956 CB GLU A 785 3.904 14.591 1.506 1.00 0.00 C ATOM 957 CG GLU A 785 3.821 14.242 3.002 1.00 0.00 C ATOM 958 CD GLU A 785 5.149 13.977 3.689 1.00 0.00 C ATOM 959 OE1 GLU A 785 5.758 12.905 3.439 1.00 0.00 O ATOM 960 OE2 GLU A 785 5.570 14.791 4.528 1.00 0.00 O ATOM 0 H GLU A 785 4.909 16.619 -0.779 1.00 0.00 H new ATOM 0 HA GLU A 785 3.680 16.688 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 785 2.934 14.377 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 785 4.626 13.917 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 785 3.321 15.060 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 785 3.191 13.360 3.116 1.00 0.00 H new ATOM 967 N ARG A 786 6.064 17.052 2.356 1.00 0.00 N ATOM 968 CA ARG A 786 7.427 17.415 2.632 1.00 0.00 C ATOM 969 C ARG A 786 7.838 16.985 4.024 1.00 0.00 C ATOM 970 O ARG A 786 7.228 17.398 5.020 1.00 0.00 O ATOM 971 CB ARG A 786 7.656 18.908 2.450 1.00 0.00 C ATOM 972 CG ARG A 786 9.101 19.319 2.670 1.00 0.00 C ATOM 973 CD ARG A 786 9.318 20.791 2.408 1.00 0.00 C ATOM 974 NE ARG A 786 9.066 21.167 1.013 1.00 0.00 N ATOM 975 CZ ARG A 786 9.593 22.232 0.404 1.00 0.00 C ATOM 976 NH1 ARG A 786 10.366 23.071 1.079 1.00 0.00 N ATOM 977 NH2 ARG A 786 9.323 22.467 -0.869 1.00 0.00 N ATOM 0 H ARG A 786 5.382 17.432 3.013 1.00 0.00 H new ATOM 0 HA ARG A 786 8.051 16.887 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 786 7.351 19.196 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 786 7.019 19.455 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 786 9.392 19.087 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 786 9.748 18.735 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 786 8.664 21.371 3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 786 10.343 21.054 2.670 1.00 0.00 H new ATOM 0 HE ARG A 786 8.443 20.571 0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 786 10.560 22.904 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 786 10.767 23.884 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 786 8.712 21.835 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 786 9.726 23.281 -1.334 1.00 0.00 H new ATOM 991 N GLU A 787 8.872 16.184 4.080 1.00 0.00 N ATOM 992 CA GLU A 787 9.410 15.647 5.296 1.00 0.00 C ATOM 993 C GLU A 787 10.001 16.764 6.145 1.00 0.00 C ATOM 994 O GLU A 787 10.468 17.785 5.607 1.00 0.00 O ATOM 995 CB GLU A 787 10.514 14.601 4.994 1.00 0.00 C ATOM 996 CG GLU A 787 10.185 13.597 3.889 1.00 0.00 C ATOM 997 CD GLU A 787 10.545 14.123 2.508 1.00 0.00 C ATOM 998 OE1 GLU A 787 9.851 14.985 1.975 1.00 0.00 O ATOM 999 OE2 GLU A 787 11.581 13.707 1.964 1.00 0.00 O ATOM 0 H GLU A 787 9.378 15.879 3.248 1.00 0.00 H new ATOM 0 HA GLU A 787 8.599 15.162 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 787 11.426 15.130 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 787 10.728 14.050 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 787 10.723 12.667 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 787 9.121 13.361 3.920 1.00 0.00 H new ATOM 1006 N ASP A 788 9.965 16.599 7.446 1.00 0.00 N ATOM 1007 CA ASP A 788 10.539 17.582 8.355 1.00 0.00 C ATOM 1008 C ASP A 788 12.050 17.428 8.398 1.00 0.00 C ATOM 1009 O ASP A 788 12.584 16.368 8.038 1.00 0.00 O ATOM 1010 CB ASP A 788 9.931 17.401 9.756 1.00 0.00 C ATOM 1011 CG ASP A 788 10.572 18.239 10.844 1.00 0.00 C ATOM 1012 OD1 ASP A 788 10.478 19.473 10.790 1.00 0.00 O ATOM 1013 OD2 ASP A 788 11.204 17.672 11.752 1.00 0.00 O ATOM 0 H ASP A 788 9.544 15.792 7.907 1.00 0.00 H new ATOM 0 HA ASP A 788 10.308 18.587 8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 788 8.869 17.643 9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 788 10.006 16.350 10.036 1.00 0.00 H new ATOM 1018 N LEU A 789 12.731 18.452 8.848 1.00 0.00 N ATOM 1019 CA LEU A 789 14.150 18.423 8.934 1.00 0.00 C ATOM 1020 C LEU A 789 14.522 17.971 10.336 1.00 0.00 C ATOM 1021 O LEU A 789 14.646 18.782 11.266 1.00 0.00 O ATOM 1022 CB LEU A 789 14.719 19.792 8.640 1.00 0.00 C ATOM 1023 CG LEU A 789 16.131 19.805 8.046 1.00 0.00 C ATOM 1024 CD1 LEU A 789 16.139 19.197 6.654 1.00 0.00 C ATOM 1025 CD2 LEU A 789 16.658 21.196 8.003 1.00 0.00 C ATOM 0 H LEU A 789 12.307 19.325 9.163 1.00 0.00 H new ATOM 0 HA LEU A 789 14.564 17.732 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 789 14.049 20.305 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 789 14.727 20.369 9.565 1.00 0.00 H new ATOM 0 HG LEU A 789 16.776 19.202 8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 789 17.153 19.218 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 789 15.790 18.166 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 789 15.480 19.771 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 789 17.662 21.192 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 789 16.006 21.813 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 789 16.693 21.603 9.013 1.00 0.00 H new ATOM 1037 N ASP A 790 14.610 16.686 10.490 1.00 0.00 N ATOM 1038 CA ASP A 790 14.866 16.050 11.788 1.00 0.00 C ATOM 1039 C ASP A 790 16.362 15.758 11.881 1.00 0.00 C ATOM 1040 O ASP A 790 17.110 16.108 10.966 1.00 0.00 O ATOM 1041 CB ASP A 790 14.046 14.737 11.890 1.00 0.00 C ATOM 1042 CG ASP A 790 13.803 14.287 13.324 1.00 0.00 C ATOM 1043 OD1 ASP A 790 14.693 13.660 13.937 1.00 0.00 O ATOM 1044 OD2 ASP A 790 12.689 14.551 13.855 1.00 0.00 O ATOM 0 H ASP A 790 14.508 16.023 9.721 1.00 0.00 H new ATOM 0 HA ASP A 790 14.567 16.704 12.607 1.00 0.00 H new ATOM 0 HB2 ASP A 790 13.086 14.877 11.393 1.00 0.00 H new ATOM 0 HB3 ASP A 790 14.571 13.947 11.353 1.00 0.00 H new ATOM 1049 N LEU A 791 16.811 15.156 12.945 1.00 0.00 N ATOM 1050 CA LEU A 791 18.222 14.851 13.077 1.00 0.00 C ATOM 1051 C LEU A 791 18.458 13.337 13.176 1.00 0.00 C ATOM 1052 O LEU A 791 19.239 12.763 12.401 1.00 0.00 O ATOM 1053 CB LEU A 791 18.854 15.660 14.247 1.00 0.00 C ATOM 1054 CG LEU A 791 20.398 15.809 14.356 1.00 0.00 C ATOM 1055 CD1 LEU A 791 20.728 16.690 15.526 1.00 0.00 C ATOM 1056 CD2 LEU A 791 21.151 14.487 14.498 1.00 0.00 C ATOM 0 H LEU A 791 16.232 14.865 13.733 1.00 0.00 H new ATOM 0 HA LEU A 791 18.738 15.170 12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 791 18.435 16.666 14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 791 18.507 15.207 15.176 1.00 0.00 H new ATOM 0 HG LEU A 791 20.727 16.248 13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 791 21.810 16.798 15.607 1.00 0.00 H new ATOM 0 HD12 LEU A 791 20.275 17.671 15.382 1.00 0.00 H new ATOM 0 HD13 LEU A 791 20.339 16.242 16.440 1.00 0.00 H new ATOM 0 HD21 LEU A 791 22.221 14.683 14.568 1.00 0.00 H new ATOM 0 HD22 LEU A 791 20.817 13.973 15.399 1.00 0.00 H new ATOM 0 HD23 LEU A 791 20.953 13.860 13.628 1.00 0.00 H new ATOM 1068 N ASP A 792 17.783 12.689 14.089 1.00 0.00 N ATOM 1069 CA ASP A 792 17.990 11.223 14.289 1.00 0.00 C ATOM 1070 C ASP A 792 16.776 10.547 14.925 1.00 0.00 C ATOM 1071 O ASP A 792 16.077 9.764 14.292 1.00 0.00 O ATOM 1072 CB ASP A 792 19.240 10.996 15.118 1.00 0.00 C ATOM 1073 CG ASP A 792 19.586 9.536 15.254 1.00 0.00 C ATOM 1074 OD1 ASP A 792 20.171 8.968 14.315 1.00 0.00 O ATOM 1075 OD2 ASP A 792 19.274 8.932 16.297 1.00 0.00 O ATOM 0 H ASP A 792 17.093 13.114 14.708 1.00 0.00 H new ATOM 0 HA ASP A 792 18.119 10.763 13.309 1.00 0.00 H new ATOM 0 HB2 ASP A 792 20.077 11.523 14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 792 19.097 11.426 16.109 1.00 0.00 H new ATOM 1080 N HIS A 793 16.526 10.913 16.132 1.00 0.00 N ATOM 1081 CA HIS A 793 15.365 10.546 16.917 1.00 0.00 C ATOM 1082 C HIS A 793 14.994 11.866 17.582 1.00 0.00 C ATOM 1083 O HIS A 793 15.832 12.786 17.602 1.00 0.00 O ATOM 1084 CB HIS A 793 15.811 9.545 18.006 1.00 0.00 C ATOM 1085 CG HIS A 793 14.698 8.881 18.768 1.00 0.00 C ATOM 1086 ND1 HIS A 793 14.279 9.312 20.015 1.00 0.00 N ATOM 1087 CD2 HIS A 793 13.954 7.792 18.485 1.00 0.00 C ATOM 1088 CE1 HIS A 793 13.332 8.505 20.457 1.00 0.00 C ATOM 1089 NE2 HIS A 793 13.112 7.584 19.553 1.00 0.00 N ATOM 0 H HIS A 793 17.163 11.520 16.648 1.00 0.00 H new ATOM 0 HA HIS A 793 14.555 10.095 16.344 1.00 0.00 H new ATOM 0 HB2 HIS A 793 16.419 8.771 17.537 1.00 0.00 H new ATOM 0 HB3 HIS A 793 16.452 10.068 18.715 1.00 0.00 H new ATOM 0 HD2 HIS A 793 14.009 7.194 17.587 1.00 0.00 H new ATOM 0 HE1 HIS A 793 12.824 8.590 21.406 1.00 0.00 H new ATOM 0 HE2 HIS A 793 12.426 6.833 19.628 1.00 0.00 H new ATOM 1097 N SER A 794 13.813 11.990 18.122 1.00 0.00 N ATOM 1098 CA SER A 794 13.345 13.282 18.628 1.00 0.00 C ATOM 1099 C SER A 794 12.100 13.146 19.482 1.00 0.00 C ATOM 1100 O SER A 794 11.220 14.005 19.484 1.00 0.00 O ATOM 1101 CB SER A 794 13.057 14.191 17.425 1.00 0.00 C ATOM 1102 OG SER A 794 12.376 13.498 16.365 1.00 0.00 O ATOM 0 H SER A 794 13.148 11.224 18.230 1.00 0.00 H new ATOM 0 HA SER A 794 14.120 13.709 19.264 1.00 0.00 H new ATOM 0 HB2 SER A 794 12.452 15.038 17.749 1.00 0.00 H new ATOM 0 HB3 SER A 794 13.995 14.596 17.046 1.00 0.00 H new ATOM 0 HG SER A 794 12.549 13.951 15.514 1.00 0.00 H new ATOM 1108 N SER A 795 12.072 12.108 20.261 1.00 0.00 N ATOM 1109 CA SER A 795 11.000 11.918 21.192 1.00 0.00 C ATOM 1110 C SER A 795 11.517 12.271 22.586 1.00 0.00 C ATOM 1111 O SER A 795 12.585 11.797 22.999 1.00 0.00 O ATOM 1112 CB SER A 795 10.426 10.487 21.161 1.00 0.00 C ATOM 1113 OG SER A 795 9.314 10.340 22.027 1.00 0.00 O ATOM 0 H SER A 795 12.782 11.376 20.271 1.00 0.00 H new ATOM 0 HA SER A 795 10.173 12.571 20.912 1.00 0.00 H new ATOM 0 HB2 SER A 795 10.127 10.239 20.143 1.00 0.00 H new ATOM 0 HB3 SER A 795 11.204 9.779 21.447 1.00 0.00 H new ATOM 0 HG SER A 795 8.979 9.420 21.976 1.00 0.00 H new ATOM 1119 N LEU A 796 10.789 13.095 23.273 1.00 0.00 N ATOM 1120 CA LEU A 796 11.162 13.578 24.582 1.00 0.00 C ATOM 1121 C LEU A 796 10.481 12.777 25.646 1.00 0.00 C ATOM 1122 CB LEU A 796 10.861 15.077 24.733 1.00 0.00 C ATOM 1123 CG LEU A 796 11.661 16.057 23.844 1.00 0.00 C ATOM 1124 CD1 LEU A 796 13.152 15.762 23.897 1.00 0.00 C ATOM 1125 CD2 LEU A 796 11.145 16.089 22.406 1.00 0.00 C ATOM 0 H LEU A 796 9.898 13.463 22.939 1.00 0.00 H new ATOM 0 HA LEU A 796 12.239 13.453 24.697 1.00 0.00 H new ATOM 0 HB2 LEU A 796 9.801 15.229 24.532 1.00 0.00 H new ATOM 0 HB3 LEU A 796 11.031 15.351 25.774 1.00 0.00 H new ATOM 0 HG LEU A 796 11.506 17.055 24.254 1.00 0.00 H new ATOM 0 HD11 LEU A 796 13.686 16.469 23.261 1.00 0.00 H new ATOM 0 HD12 LEU A 796 13.506 15.859 24.923 1.00 0.00 H new ATOM 0 HD13 LEU A 796 13.335 14.747 23.544 1.00 0.00 H new ATOM 0 HD21 LEU A 796 11.739 16.792 21.822 1.00 0.00 H new ATOM 0 HD22 LEU A 796 11.226 15.094 21.968 1.00 0.00 H new ATOM 0 HD23 LEU A 796 10.102 16.404 22.401 1.00 0.00 H new TER 1137 LEU A 796