USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 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 775 HIS : no HD1:sc= -0.168 X(o=-0.34,f=-0.25) USER MOD Set 1.2: A 779 GLN : amide:sc= -0.173 K(o=-0.34,f=-2.1!) USER MOD Single : A 708 MET CE :methyl -161:sc= -0.17 (180deg=-0.788) USER MOD Single : A 709 MET CE :methyl 158:sc= -0.179 (180deg=-0.813) USER MOD Single : A 711 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 715 LYS NZ :NH3+ -165:sc= 0.828 (180deg=0.255) USER MOD Single : A 722 TYR OH : rot -96:sc= 2.34 USER MOD Single : A 724 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 725 THR OG1 : rot 76:sc= 1.01 USER MOD Single : A 726 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc= -0.254 F(o=-1.2!,f=-0.25) USER MOD Single : A 750 SER OG : rot -15:sc= 0.464 USER MOD Single : A 754 HIS : no HD1:sc= -0.488 K(o=-0.49,f=-1.9) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 180:sc= -0.0898 USER MOD Single : A 761 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.8) USER MOD Single : A 763 LYS NZ :NH3+ -156:sc= 2.51 (180deg=1.56) USER MOD Single : A 773 CYS SG : rot 36:sc= 0.00309 USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 LYS NZ :NH3+ 162:sc= -0.0591 (180deg=-0.314) USER MOD Single : A 781 LYS NZ :NH3+ 169:sc= -0.0133 (180deg=-0.138) USER MOD Single : A 782 GLN :FLIP amide:sc= -0.243 F(o=-0.91,f=-0.24) USER MOD Single : A 796 ASN :FLIP amide:sc= -2.25! C(o=-4.5!,f=-2.3!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 708 4.531 26.322 8.764 1.00 41.52 N ATOM 2 CA MET A 708 3.255 25.850 8.186 1.00 0.41 C ATOM 3 C MET A 708 2.248 26.988 8.120 1.00 13.44 C ATOM 4 O MET A 708 1.980 27.655 9.119 1.00 61.13 O ATOM 5 CB MET A 708 2.677 24.703 9.017 1.00 65.05 C ATOM 6 CG MET A 708 3.559 23.467 9.061 1.00 71.54 C ATOM 7 SD MET A 708 2.846 22.143 10.056 1.00 15.13 S ATOM 8 CE MET A 708 2.706 22.951 11.649 1.00 55.43 C ATOM 0 HA MET A 708 3.455 25.490 7.177 1.00 0.41 H new ATOM 0 HB2 MET A 708 2.510 25.054 10.035 1.00 65.05 H new ATOM 0 HB3 MET A 708 1.704 24.428 8.611 1.00 65.05 H new ATOM 0 HG2 MET A 708 3.723 23.106 8.046 1.00 71.54 H new ATOM 0 HG3 MET A 708 4.535 23.736 9.465 1.00 71.54 H new ATOM 0 HE1 MET A 708 2.608 22.198 12.431 1.00 55.43 H new ATOM 0 HE2 MET A 708 3.597 23.551 11.832 1.00 55.43 H new ATOM 0 HE3 MET A 708 1.827 23.596 11.654 1.00 55.43 H new ATOM 18 N MET A 709 1.715 27.225 6.931 1.00 13.54 N ATOM 19 CA MET A 709 0.665 28.213 6.745 1.00 55.25 C ATOM 20 C MET A 709 -0.681 27.512 6.613 1.00 31.23 C ATOM 21 O MET A 709 -0.744 26.400 6.085 1.00 4.03 O ATOM 22 CB MET A 709 0.940 29.065 5.501 1.00 12.41 C ATOM 23 CG MET A 709 2.200 29.910 5.605 1.00 55.31 C ATOM 24 SD MET A 709 2.476 30.926 4.139 1.00 41.30 S ATOM 25 CE MET A 709 0.988 31.924 4.136 1.00 60.02 C ATOM 0 H MET A 709 1.995 26.743 6.077 1.00 13.54 H new ATOM 0 HA MET A 709 0.645 28.871 7.614 1.00 55.25 H new ATOM 0 HB2 MET A 709 1.023 28.410 4.634 1.00 12.41 H new ATOM 0 HB3 MET A 709 0.087 29.720 5.325 1.00 12.41 H new ATOM 0 HG2 MET A 709 2.130 30.554 6.481 1.00 55.31 H new ATOM 0 HG3 MET A 709 3.059 29.257 5.757 1.00 55.31 H new ATOM 0 HE1 MET A 709 1.162 32.836 3.564 1.00 60.02 H new ATOM 0 HE2 MET A 709 0.173 31.361 3.681 1.00 60.02 H new ATOM 0 HE3 MET A 709 0.722 32.184 5.161 1.00 60.02 H new ATOM 35 N PRO A 710 -1.766 28.141 7.109 1.00 73.21 N ATOM 36 CA PRO A 710 -3.120 27.566 7.065 1.00 70.42 C ATOM 37 C PRO A 710 -3.602 27.290 5.639 1.00 72.33 C ATOM 38 O PRO A 710 -4.270 28.123 5.020 1.00 74.20 O ATOM 39 CB PRO A 710 -3.994 28.630 7.737 1.00 22.44 C ATOM 40 CG PRO A 710 -3.048 29.457 8.537 1.00 42.23 C ATOM 41 CD PRO A 710 -1.755 29.455 7.772 1.00 12.00 C ATOM 0 HA PRO A 710 -3.157 26.596 7.562 1.00 70.42 H new ATOM 0 HB2 PRO A 710 -4.518 29.235 6.997 1.00 22.44 H new ATOM 0 HB3 PRO A 710 -4.753 28.174 8.372 1.00 22.44 H new ATOM 0 HG2 PRO A 710 -3.426 30.472 8.663 1.00 42.23 H new ATOM 0 HG3 PRO A 710 -2.912 29.041 9.535 1.00 42.23 H new ATOM 0 HD2 PRO A 710 -1.711 30.271 7.051 1.00 12.00 H new ATOM 0 HD3 PRO A 710 -0.895 29.567 8.432 1.00 12.00 H new ATOM 49 N ASN A 711 -3.215 26.122 5.138 1.00 42.22 N ATOM 50 CA ASN A 711 -3.549 25.637 3.798 1.00 43.32 C ATOM 51 C ASN A 711 -2.643 24.459 3.495 1.00 40.03 C ATOM 52 O ASN A 711 -3.038 23.491 2.845 1.00 42.13 O ATOM 53 CB ASN A 711 -3.363 26.708 2.714 1.00 44.45 C ATOM 54 CG ASN A 711 -3.670 26.183 1.321 1.00 33.13 C ATOM 55 OD1 ASN A 711 -2.790 25.665 0.633 1.00 73.45 O ATOM 56 ND2 ASN A 711 -4.914 26.314 0.893 1.00 3.42 N ATOM 0 H ASN A 711 -2.643 25.464 5.667 1.00 42.22 H new ATOM 0 HA ASN A 711 -4.602 25.356 3.787 1.00 43.32 H new ATOM 0 HB2 ASN A 711 -4.012 27.557 2.931 1.00 44.45 H new ATOM 0 HB3 ASN A 711 -2.337 27.076 2.743 1.00 44.45 H new ATOM 0 HD21 ASN A 711 -5.172 25.980 -0.036 1.00 3.42 H new ATOM 0 HD22 ASN A 711 -5.616 26.749 1.492 1.00 3.42 H new ATOM 63 N LYS A 712 -1.420 24.548 4.001 1.00 24.02 N ATOM 64 CA LYS A 712 -0.444 23.480 3.865 1.00 4.03 C ATOM 65 C LYS A 712 0.064 23.049 5.233 1.00 40.21 C ATOM 66 O LYS A 712 1.255 22.791 5.414 1.00 44.50 O ATOM 67 CB LYS A 712 0.732 23.921 2.993 1.00 64.20 C ATOM 68 CG LYS A 712 0.393 24.048 1.519 1.00 43.45 C ATOM 69 CD LYS A 712 1.651 24.227 0.688 1.00 50.44 C ATOM 70 CE LYS A 712 1.350 24.208 -0.800 1.00 72.10 C ATOM 71 NZ LYS A 712 2.596 24.206 -1.608 1.00 42.31 N ATOM 0 H LYS A 712 -1.079 25.360 4.515 1.00 24.02 H new ATOM 0 HA LYS A 712 -0.936 22.635 3.383 1.00 4.03 H new ATOM 0 HB2 LYS A 712 1.100 24.881 3.355 1.00 64.20 H new ATOM 0 HB3 LYS A 712 1.545 23.204 3.108 1.00 64.20 H new ATOM 0 HG2 LYS A 712 -0.144 23.159 1.187 1.00 43.45 H new ATOM 0 HG3 LYS A 712 -0.273 24.898 1.367 1.00 43.45 H new ATOM 0 HD2 LYS A 712 2.129 25.171 0.950 1.00 50.44 H new ATOM 0 HD3 LYS A 712 2.360 23.434 0.926 1.00 50.44 H new ATOM 0 HE2 LYS A 712 0.758 23.325 -1.041 1.00 72.10 H new ATOM 0 HE3 LYS A 712 0.747 25.078 -1.061 1.00 72.10 H new ATOM 0 HZ1 LYS A 712 2.354 24.193 -2.619 1.00 42.31 H new ATOM 0 HZ2 LYS A 712 3.149 25.061 -1.395 1.00 42.31 H new ATOM 0 HZ3 LYS A 712 3.159 23.363 -1.376 1.00 42.31 H new ATOM 85 N VAL A 713 -0.846 22.972 6.197 1.00 33.14 N ATOM 86 CA VAL A 713 -0.502 22.492 7.525 1.00 5.30 C ATOM 87 C VAL A 713 -0.158 21.012 7.439 1.00 3.13 C ATOM 88 O VAL A 713 -0.920 20.233 6.860 1.00 63.53 O ATOM 89 CB VAL A 713 -1.662 22.694 8.526 1.00 12.43 C ATOM 90 CG1 VAL A 713 -1.255 22.253 9.924 1.00 64.44 C ATOM 91 CG2 VAL A 713 -2.119 24.147 8.534 1.00 21.10 C ATOM 0 H VAL A 713 -1.825 23.236 6.082 1.00 33.14 H new ATOM 0 HA VAL A 713 0.351 23.065 7.887 1.00 5.30 H new ATOM 0 HB VAL A 713 -2.498 22.073 8.204 1.00 12.43 H new ATOM 0 HG11 VAL A 713 -2.088 22.405 10.610 1.00 64.44 H new ATOM 0 HG12 VAL A 713 -0.986 21.197 9.908 1.00 64.44 H new ATOM 0 HG13 VAL A 713 -0.399 22.841 10.256 1.00 64.44 H new ATOM 0 HG21 VAL A 713 -2.936 24.267 9.245 1.00 21.10 H new ATOM 0 HG22 VAL A 713 -1.287 24.788 8.825 1.00 21.10 H new ATOM 0 HG23 VAL A 713 -2.461 24.426 7.538 1.00 21.10 H new ATOM 101 N ARG A 714 0.988 20.629 7.988 1.00 2.24 N ATOM 102 CA ARG A 714 1.464 19.259 7.874 1.00 12.03 C ATOM 103 C ARG A 714 0.575 18.310 8.666 1.00 62.41 C ATOM 104 O ARG A 714 0.747 18.135 9.873 1.00 5.33 O ATOM 105 CB ARG A 714 2.916 19.145 8.347 1.00 14.03 C ATOM 106 CG ARG A 714 3.525 17.776 8.094 1.00 65.31 C ATOM 107 CD ARG A 714 4.977 17.714 8.534 1.00 44.53 C ATOM 108 NE ARG A 714 5.127 17.785 9.985 1.00 13.44 N ATOM 109 CZ ARG A 714 6.291 17.661 10.616 1.00 41.11 C ATOM 110 NH1 ARG A 714 7.409 17.489 9.920 1.00 20.21 N ATOM 111 NH2 ARG A 714 6.340 17.710 11.941 1.00 54.13 N ATOM 0 H ARG A 714 1.603 21.248 8.516 1.00 2.24 H new ATOM 0 HA ARG A 714 1.421 18.976 6.822 1.00 12.03 H new ATOM 0 HB2 ARG A 714 3.516 19.901 7.841 1.00 14.03 H new ATOM 0 HB3 ARG A 714 2.962 19.364 9.414 1.00 14.03 H new ATOM 0 HG2 ARG A 714 2.951 17.019 8.628 1.00 65.31 H new ATOM 0 HG3 ARG A 714 3.457 17.538 7.032 1.00 65.31 H new ATOM 0 HD2 ARG A 714 5.424 16.788 8.171 1.00 44.53 H new ATOM 0 HD3 ARG A 714 5.527 18.535 8.075 1.00 44.53 H new ATOM 0 HE ARG A 714 4.290 17.939 10.547 1.00 13.44 H new ATOM 0 HH11 ARG A 714 7.375 17.452 8.901 1.00 20.21 H new ATOM 0 HH12 ARG A 714 8.302 17.394 10.404 1.00 20.21 H new ATOM 0 HH21 ARG A 714 5.483 17.843 12.478 1.00 54.13 H new ATOM 0 HH22 ARG A 714 7.234 17.615 12.422 1.00 54.13 H new ATOM 125 N LYS A 715 -0.383 17.709 7.976 1.00 44.03 N ATOM 126 CA LYS A 715 -1.297 16.766 8.595 1.00 44.14 C ATOM 127 C LYS A 715 -0.899 15.354 8.193 1.00 45.04 C ATOM 128 O LYS A 715 -1.695 14.421 8.232 1.00 23.24 O ATOM 129 CB LYS A 715 -2.737 17.058 8.170 1.00 41.11 C ATOM 130 CG LYS A 715 -3.753 16.812 9.272 1.00 3.12 C ATOM 131 CD LYS A 715 -3.644 17.861 10.367 1.00 70.12 C ATOM 132 CE LYS A 715 -4.592 17.571 11.519 1.00 74.11 C ATOM 133 NZ LYS A 715 -4.117 16.442 12.364 1.00 2.44 N ATOM 0 H LYS A 715 -0.546 17.860 6.981 1.00 44.03 H new ATOM 0 HA LYS A 715 -1.241 16.864 9.679 1.00 44.14 H new ATOM 0 HB2 LYS A 715 -2.809 18.096 7.845 1.00 41.11 H new ATOM 0 HB3 LYS A 715 -2.987 16.437 7.310 1.00 41.11 H new ATOM 0 HG2 LYS A 715 -4.759 16.825 8.852 1.00 3.12 H new ATOM 0 HG3 LYS A 715 -3.598 15.821 9.698 1.00 3.12 H new ATOM 0 HD2 LYS A 715 -2.620 17.895 10.738 1.00 70.12 H new ATOM 0 HD3 LYS A 715 -3.865 18.844 9.952 1.00 70.12 H new ATOM 0 HE2 LYS A 715 -4.698 18.464 12.134 1.00 74.11 H new ATOM 0 HE3 LYS A 715 -5.581 17.337 11.124 1.00 74.11 H new ATOM 0 HZ1 LYS A 715 -4.894 16.112 12.971 1.00 2.44 H new ATOM 0 HZ2 LYS A 715 -3.799 15.662 11.754 1.00 2.44 H new ATOM 0 HZ3 LYS A 715 -3.326 16.762 12.958 1.00 2.44 H new ATOM 147 N ILE A 716 0.365 15.213 7.820 1.00 13.34 N ATOM 148 CA ILE A 716 0.918 13.937 7.391 1.00 62.42 C ATOM 149 C ILE A 716 0.997 12.965 8.573 1.00 51.43 C ATOM 150 O ILE A 716 1.163 11.754 8.396 1.00 22.44 O ATOM 151 CB ILE A 716 2.317 14.140 6.766 1.00 73.53 C ATOM 152 CG1 ILE A 716 2.249 15.187 5.649 1.00 33.44 C ATOM 153 CG2 ILE A 716 2.872 12.833 6.222 1.00 30.44 C ATOM 154 CD1 ILE A 716 1.335 14.803 4.500 1.00 54.13 C ATOM 0 H ILE A 716 1.036 15.981 7.806 1.00 13.34 H new ATOM 0 HA ILE A 716 0.259 13.510 6.635 1.00 62.42 H new ATOM 0 HB ILE A 716 2.988 14.493 7.549 1.00 73.53 H new ATOM 0 HG12 ILE A 716 1.908 16.132 6.071 1.00 33.44 H new ATOM 0 HG13 ILE A 716 3.253 15.355 5.261 1.00 33.44 H new ATOM 0 HG21 ILE A 716 3.857 13.008 5.789 1.00 30.44 H new ATOM 0 HG22 ILE A 716 2.955 12.108 7.032 1.00 30.44 H new ATOM 0 HG23 ILE A 716 2.202 12.445 5.455 1.00 30.44 H new ATOM 0 HD11 ILE A 716 1.341 15.594 3.750 1.00 54.13 H new ATOM 0 HD12 ILE A 716 1.687 13.875 4.050 1.00 54.13 H new ATOM 0 HD13 ILE A 716 0.320 14.664 4.873 1.00 54.13 H new ATOM 166 N GLY A 717 0.840 13.505 9.777 1.00 4.31 N ATOM 167 CA GLY A 717 0.836 12.686 10.972 1.00 14.12 C ATOM 168 C GLY A 717 -0.328 11.717 10.991 1.00 70.31 C ATOM 169 O GLY A 717 -0.286 10.699 11.687 1.00 51.42 O ATOM 0 H GLY A 717 0.715 14.503 9.945 1.00 4.31 H new ATOM 0 HA2 GLY A 717 1.772 12.130 11.034 1.00 14.12 H new ATOM 0 HA3 GLY A 717 0.788 13.328 11.852 1.00 14.12 H new ATOM 173 N GLU A 718 -1.369 12.021 10.216 1.00 71.15 N ATOM 174 CA GLU A 718 -2.515 11.129 10.104 1.00 64.14 C ATOM 175 C GLU A 718 -2.087 9.829 9.435 1.00 13.21 C ATOM 176 O GLU A 718 -2.481 8.746 9.849 1.00 54.21 O ATOM 177 CB GLU A 718 -3.651 11.769 9.296 1.00 62.13 C ATOM 178 CG GLU A 718 -4.030 13.169 9.749 1.00 4.32 C ATOM 179 CD GLU A 718 -4.229 13.282 11.245 1.00 64.10 C ATOM 180 OE1 GLU A 718 -5.255 12.795 11.761 1.00 2.01 O ATOM 181 OE2 GLU A 718 -3.365 13.889 11.913 1.00 63.34 O ATOM 0 H GLU A 718 -1.439 12.874 9.661 1.00 71.15 H new ATOM 0 HA GLU A 718 -2.885 10.930 11.110 1.00 64.14 H new ATOM 0 HB2 GLU A 718 -3.358 11.806 8.247 1.00 62.13 H new ATOM 0 HB3 GLU A 718 -4.531 11.129 9.359 1.00 62.13 H new ATOM 0 HG2 GLU A 718 -3.252 13.866 9.440 1.00 4.32 H new ATOM 0 HG3 GLU A 718 -4.948 13.471 9.244 1.00 4.32 H new ATOM 188 N LEU A 719 -1.247 9.944 8.415 1.00 23.45 N ATOM 189 CA LEU A 719 -0.762 8.773 7.697 1.00 70.55 C ATOM 190 C LEU A 719 0.097 7.921 8.627 1.00 34.34 C ATOM 191 O LEU A 719 0.103 6.693 8.539 1.00 61.40 O ATOM 192 CB LEU A 719 0.050 9.178 6.455 1.00 24.31 C ATOM 193 CG LEU A 719 -0.724 9.889 5.332 1.00 31.14 C ATOM 194 CD1 LEU A 719 -2.007 9.143 4.998 1.00 15.54 C ATOM 195 CD2 LEU A 719 -1.027 11.338 5.692 1.00 13.42 C ATOM 0 H LEU A 719 -0.888 10.833 8.067 1.00 23.45 H new ATOM 0 HA LEU A 719 -1.623 8.195 7.362 1.00 70.55 H new ATOM 0 HB2 LEU A 719 0.862 9.830 6.776 1.00 24.31 H new ATOM 0 HB3 LEU A 719 0.508 8.281 6.039 1.00 24.31 H new ATOM 0 HG LEU A 719 -0.086 9.891 4.448 1.00 31.14 H new ATOM 0 HD11 LEU A 719 -2.535 9.666 4.201 1.00 15.54 H new ATOM 0 HD12 LEU A 719 -1.765 8.132 4.670 1.00 15.54 H new ATOM 0 HD13 LEU A 719 -2.641 9.095 5.883 1.00 15.54 H new ATOM 0 HD21 LEU A 719 -1.575 11.809 4.876 1.00 13.42 H new ATOM 0 HD22 LEU A 719 -1.631 11.369 6.599 1.00 13.42 H new ATOM 0 HD23 LEU A 719 -0.093 11.874 5.859 1.00 13.42 H new ATOM 207 N VAL A 720 0.797 8.589 9.536 1.00 31.00 N ATOM 208 CA VAL A 720 1.642 7.917 10.518 1.00 24.20 C ATOM 209 C VAL A 720 0.796 7.081 11.483 1.00 51.11 C ATOM 210 O VAL A 720 1.184 5.974 11.865 1.00 70.43 O ATOM 211 CB VAL A 720 2.487 8.933 11.321 1.00 11.13 C ATOM 212 CG1 VAL A 720 3.377 8.229 12.334 1.00 25.43 C ATOM 213 CG2 VAL A 720 3.323 9.793 10.387 1.00 51.34 C ATOM 0 H VAL A 720 0.796 9.606 9.614 1.00 31.00 H new ATOM 0 HA VAL A 720 2.316 7.259 9.969 1.00 24.20 H new ATOM 0 HB VAL A 720 1.800 9.580 11.867 1.00 11.13 H new ATOM 0 HG11 VAL A 720 3.959 8.969 12.883 1.00 25.43 H new ATOM 0 HG12 VAL A 720 2.758 7.664 13.031 1.00 25.43 H new ATOM 0 HG13 VAL A 720 4.052 7.549 11.815 1.00 25.43 H new ATOM 0 HG21 VAL A 720 3.910 10.501 10.972 1.00 51.34 H new ATOM 0 HG22 VAL A 720 3.993 9.157 9.809 1.00 51.34 H new ATOM 0 HG23 VAL A 720 2.666 10.339 9.709 1.00 51.34 H new ATOM 223 N ARG A 721 -0.372 7.603 11.855 1.00 24.45 N ATOM 224 CA ARG A 721 -1.267 6.888 12.761 1.00 1.41 C ATOM 225 C ARG A 721 -1.779 5.618 12.086 1.00 33.24 C ATOM 226 O ARG A 721 -2.119 4.638 12.747 1.00 42.35 O ATOM 227 CB ARG A 721 -2.445 7.779 13.194 1.00 24.43 C ATOM 228 CG ARG A 721 -3.653 7.723 12.266 1.00 51.31 C ATOM 229 CD ARG A 721 -4.675 8.793 12.606 1.00 3.43 C ATOM 230 NE ARG A 721 -5.861 8.713 11.756 1.00 32.31 N ATOM 231 CZ ARG A 721 -6.949 9.464 11.925 1.00 32.03 C ATOM 232 NH1 ARG A 721 -6.998 10.350 12.908 1.00 2.34 N ATOM 233 NH2 ARG A 721 -7.982 9.331 11.105 1.00 2.10 N ATOM 0 H ARG A 721 -0.718 8.511 11.545 1.00 24.45 H new ATOM 0 HA ARG A 721 -0.708 6.617 13.656 1.00 1.41 H new ATOM 0 HB2 ARG A 721 -2.758 7.485 14.196 1.00 24.43 H new ATOM 0 HB3 ARG A 721 -2.099 8.811 13.258 1.00 24.43 H new ATOM 0 HG2 ARG A 721 -3.325 7.849 11.234 1.00 51.31 H new ATOM 0 HG3 ARG A 721 -4.119 6.740 12.335 1.00 51.31 H new ATOM 0 HD2 ARG A 721 -4.971 8.692 13.650 1.00 3.43 H new ATOM 0 HD3 ARG A 721 -4.218 9.777 12.498 1.00 3.43 H new ATOM 0 HE ARG A 721 -5.856 8.042 10.987 1.00 32.31 H new ATOM 0 HH11 ARG A 721 -6.202 10.458 13.537 1.00 2.34 H new ATOM 0 HH12 ARG A 721 -7.831 10.924 13.036 1.00 2.34 H new ATOM 0 HH21 ARG A 721 -7.945 8.653 10.344 1.00 2.10 H new ATOM 0 HH22 ARG A 721 -8.814 9.906 11.235 1.00 2.10 H new ATOM 247 N TYR A 722 -1.816 5.639 10.759 1.00 62.12 N ATOM 248 CA TYR A 722 -2.249 4.481 9.996 1.00 41.40 C ATOM 249 C TYR A 722 -1.129 3.467 9.865 1.00 4.01 C ATOM 250 O TYR A 722 -1.385 2.276 9.746 1.00 34.14 O ATOM 251 CB TYR A 722 -2.777 4.901 8.628 1.00 22.20 C ATOM 252 CG TYR A 722 -4.106 5.607 8.724 1.00 53.25 C ATOM 253 CD1 TYR A 722 -5.225 4.944 9.212 1.00 60.31 C ATOM 254 CD2 TYR A 722 -4.239 6.933 8.352 1.00 14.40 C ATOM 255 CE1 TYR A 722 -6.438 5.586 9.326 1.00 42.14 C ATOM 256 CE2 TYR A 722 -5.450 7.583 8.458 1.00 20.23 C ATOM 257 CZ TYR A 722 -6.548 6.904 8.950 1.00 51.23 C ATOM 258 OH TYR A 722 -7.757 7.547 9.070 1.00 50.42 O ATOM 0 H TYR A 722 -1.551 6.445 10.192 1.00 62.12 H new ATOM 0 HA TYR A 722 -3.065 4.003 10.538 1.00 41.40 H new ATOM 0 HB2 TYR A 722 -2.052 5.558 8.146 1.00 22.20 H new ATOM 0 HB3 TYR A 722 -2.880 4.020 7.994 1.00 22.20 H new ATOM 0 HD1 TYR A 722 -5.142 3.908 9.507 1.00 60.31 H new ATOM 0 HD2 TYR A 722 -3.380 7.467 7.973 1.00 14.40 H new ATOM 0 HE1 TYR A 722 -7.298 5.057 9.709 1.00 42.14 H new ATOM 0 HE2 TYR A 722 -5.540 8.617 8.158 1.00 20.23 H new ATOM 0 HH TYR A 722 -8.232 7.514 8.213 1.00 50.42 H new ATOM 268 N LEU A 723 0.110 3.935 9.918 1.00 24.43 N ATOM 269 CA LEU A 723 1.257 3.034 9.970 1.00 43.11 C ATOM 270 C LEU A 723 1.196 2.198 11.241 1.00 63.15 C ATOM 271 O LEU A 723 1.712 1.082 11.294 1.00 15.21 O ATOM 272 CB LEU A 723 2.569 3.820 9.934 1.00 25.13 C ATOM 273 CG LEU A 723 2.855 4.553 8.626 1.00 60.23 C ATOM 274 CD1 LEU A 723 4.159 5.324 8.733 1.00 74.02 C ATOM 275 CD2 LEU A 723 2.911 3.568 7.468 1.00 3.34 C ATOM 0 H LEU A 723 0.348 4.927 9.926 1.00 24.43 H new ATOM 0 HA LEU A 723 1.221 2.380 9.099 1.00 43.11 H new ATOM 0 HB2 LEU A 723 2.559 4.548 10.745 1.00 25.13 H new ATOM 0 HB3 LEU A 723 3.391 3.132 10.133 1.00 25.13 H new ATOM 0 HG LEU A 723 2.047 5.260 8.436 1.00 60.23 H new ATOM 0 HD11 LEU A 723 4.353 5.843 7.794 1.00 74.02 H new ATOM 0 HD12 LEU A 723 4.086 6.051 9.541 1.00 74.02 H new ATOM 0 HD13 LEU A 723 4.975 4.632 8.940 1.00 74.02 H new ATOM 0 HD21 LEU A 723 3.116 4.106 6.542 1.00 3.34 H new ATOM 0 HD22 LEU A 723 3.702 2.840 7.647 1.00 3.34 H new ATOM 0 HD23 LEU A 723 1.955 3.051 7.383 1.00 3.34 H new ATOM 287 N ASN A 724 0.557 2.758 12.258 1.00 60.14 N ATOM 288 CA ASN A 724 0.364 2.071 13.528 1.00 63.22 C ATOM 289 C ASN A 724 -0.939 1.268 13.523 1.00 32.32 C ATOM 290 O ASN A 724 -1.000 0.154 14.043 1.00 23.14 O ATOM 291 CB ASN A 724 0.339 3.095 14.667 1.00 25.42 C ATOM 292 CG ASN A 724 0.134 2.466 16.032 1.00 13.40 C ATOM 293 OD1 ASN A 724 0.576 1.347 16.293 1.00 3.24 O ATOM 294 ND2 ASN A 724 -0.541 3.186 16.913 1.00 71.40 N ATOM 0 H ASN A 724 0.159 3.697 12.227 1.00 60.14 H new ATOM 0 HA ASN A 724 1.192 1.378 13.676 1.00 63.22 H new ATOM 0 HB2 ASN A 724 1.276 3.651 14.668 1.00 25.42 H new ATOM 0 HB3 ASN A 724 -0.458 3.815 14.482 1.00 25.42 H new ATOM 0 HD21 ASN A 724 -0.712 2.818 17.849 1.00 71.40 H new ATOM 0 HD22 ASN A 724 -0.890 4.109 16.657 1.00 71.40 H new ATOM 301 N THR A 725 -1.979 1.833 12.923 1.00 55.21 N ATOM 302 CA THR A 725 -3.301 1.216 12.947 1.00 51.03 C ATOM 303 C THR A 725 -3.549 0.345 11.713 1.00 5.01 C ATOM 304 O THR A 725 -3.517 -0.885 11.796 1.00 24.15 O ATOM 305 CB THR A 725 -4.404 2.289 13.049 1.00 22.24 C ATOM 306 OG1 THR A 725 -4.089 3.207 14.107 1.00 13.13 O ATOM 307 CG2 THR A 725 -5.762 1.653 13.313 1.00 44.35 C ATOM 0 H THR A 725 -1.934 2.716 12.414 1.00 55.21 H new ATOM 0 HA THR A 725 -3.335 0.576 13.828 1.00 51.03 H new ATOM 0 HB THR A 725 -4.452 2.822 12.100 1.00 22.24 H new ATOM 0 HG1 THR A 725 -3.384 3.819 13.810 1.00 13.13 H new ATOM 0 HG21 THR A 725 -6.522 2.432 13.380 1.00 44.35 H new ATOM 0 HG22 THR A 725 -6.010 0.974 12.498 1.00 44.35 H new ATOM 0 HG23 THR A 725 -5.728 1.098 14.250 1.00 44.35 H new ATOM 315 N ASN A 726 -3.791 0.984 10.574 1.00 73.01 N ATOM 316 CA ASN A 726 -4.080 0.269 9.334 1.00 52.11 C ATOM 317 C ASN A 726 -3.677 1.110 8.132 1.00 64.23 C ATOM 318 O ASN A 726 -4.336 2.102 7.802 1.00 50.52 O ATOM 319 CB ASN A 726 -5.565 -0.096 9.238 1.00 42.13 C ATOM 320 CG ASN A 726 -5.900 -0.808 7.936 1.00 3.00 C ATOM 321 OD1 ASN A 726 -5.061 -1.498 7.353 1.00 2.22 O ATOM 322 ND2 ASN A 726 -7.127 -0.641 7.470 1.00 25.22 N ATOM 0 H ASN A 726 -3.793 2.000 10.483 1.00 73.01 H new ATOM 0 HA ASN A 726 -3.499 -0.653 9.338 1.00 52.11 H new ATOM 0 HB2 ASN A 726 -5.835 -0.735 10.079 1.00 42.13 H new ATOM 0 HB3 ASN A 726 -6.166 0.810 9.320 1.00 42.13 H new ATOM 0 HD21 ASN A 726 -7.407 -1.091 6.599 1.00 25.22 H new ATOM 0 HD22 ASN A 726 -7.793 -0.062 7.982 1.00 25.22 H new ATOM 329 N PRO A 727 -2.579 0.723 7.471 1.00 23.53 N ATOM 330 CA PRO A 727 -2.035 1.452 6.321 1.00 31.54 C ATOM 331 C PRO A 727 -3.017 1.550 5.161 1.00 74.34 C ATOM 332 O PRO A 727 -3.078 2.573 4.477 1.00 44.43 O ATOM 333 CB PRO A 727 -0.813 0.625 5.908 1.00 45.14 C ATOM 334 CG PRO A 727 -1.014 -0.712 6.530 1.00 23.01 C ATOM 335 CD PRO A 727 -1.765 -0.457 7.802 1.00 64.23 C ATOM 0 HA PRO A 727 -1.803 2.484 6.583 1.00 31.54 H new ATOM 0 HB2 PRO A 727 -0.739 0.547 4.823 1.00 45.14 H new ATOM 0 HB3 PRO A 727 0.110 1.086 6.258 1.00 45.14 H new ATOM 0 HG2 PRO A 727 -1.576 -1.371 5.869 1.00 23.01 H new ATOM 0 HG3 PRO A 727 -0.059 -1.199 6.729 1.00 23.01 H new ATOM 0 HD2 PRO A 727 -2.384 -1.309 8.084 1.00 64.23 H new ATOM 0 HD3 PRO A 727 -1.092 -0.262 8.637 1.00 64.23 H new ATOM 343 N VAL A 728 -3.792 0.486 4.950 1.00 61.22 N ATOM 344 CA VAL A 728 -4.731 0.430 3.836 1.00 24.42 C ATOM 345 C VAL A 728 -5.732 1.578 3.914 1.00 74.04 C ATOM 346 O VAL A 728 -5.919 2.313 2.946 1.00 14.00 O ATOM 347 CB VAL A 728 -5.489 -0.916 3.799 1.00 22.40 C ATOM 348 CG1 VAL A 728 -6.401 -0.993 2.582 1.00 0.23 C ATOM 349 CG2 VAL A 728 -4.511 -2.083 3.805 1.00 53.23 C ATOM 0 H VAL A 728 -3.786 -0.348 5.538 1.00 61.22 H new ATOM 0 HA VAL A 728 -4.148 0.523 2.919 1.00 24.42 H new ATOM 0 HB VAL A 728 -6.108 -0.979 4.694 1.00 22.40 H new ATOM 0 HG11 VAL A 728 -6.923 -1.950 2.579 1.00 0.23 H new ATOM 0 HG12 VAL A 728 -7.129 -0.182 2.621 1.00 0.23 H new ATOM 0 HG13 VAL A 728 -5.805 -0.902 1.674 1.00 0.23 H new ATOM 0 HG21 VAL A 728 -5.064 -3.022 3.779 1.00 53.23 H new ATOM 0 HG22 VAL A 728 -3.863 -2.019 2.931 1.00 53.23 H new ATOM 0 HG23 VAL A 728 -3.904 -2.045 4.710 1.00 53.23 H new ATOM 359 N GLY A 729 -6.340 1.749 5.084 1.00 4.32 N ATOM 360 CA GLY A 729 -7.307 2.814 5.273 1.00 12.21 C ATOM 361 C GLY A 729 -6.698 4.189 5.074 1.00 73.30 C ATOM 362 O GLY A 729 -7.348 5.096 4.554 1.00 63.34 O ATOM 0 H GLY A 729 -6.179 1.167 5.906 1.00 4.32 H new ATOM 0 HA2 GLY A 729 -8.132 2.680 4.574 1.00 12.21 H new ATOM 0 HA3 GLY A 729 -7.726 2.747 6.277 1.00 12.21 H new ATOM 366 N GLY A 730 -5.441 4.338 5.475 1.00 5.54 N ATOM 367 CA GLY A 730 -4.765 5.614 5.343 1.00 12.33 C ATOM 368 C GLY A 730 -4.425 5.952 3.908 1.00 53.15 C ATOM 369 O GLY A 730 -4.634 7.081 3.466 1.00 22.41 O ATOM 0 H GLY A 730 -4.877 3.596 5.890 1.00 5.54 H new ATOM 0 HA2 GLY A 730 -5.398 6.400 5.756 1.00 12.33 H new ATOM 0 HA3 GLY A 730 -3.849 5.598 5.934 1.00 12.33 H new ATOM 373 N LEU A 731 -3.911 4.971 3.177 1.00 73.23 N ATOM 374 CA LEU A 731 -3.537 5.171 1.783 1.00 50.52 C ATOM 375 C LEU A 731 -4.780 5.488 0.955 1.00 74.02 C ATOM 376 O LEU A 731 -4.754 6.355 0.077 1.00 22.11 O ATOM 377 CB LEU A 731 -2.810 3.920 1.257 1.00 53.44 C ATOM 378 CG LEU A 731 -2.069 4.066 -0.081 1.00 50.04 C ATOM 379 CD1 LEU A 731 -3.019 3.934 -1.260 1.00 65.43 C ATOM 380 CD2 LEU A 731 -1.335 5.397 -0.143 1.00 44.42 C ATOM 0 H LEU A 731 -3.743 4.028 3.527 1.00 73.23 H new ATOM 0 HA LEU A 731 -2.855 6.017 1.700 1.00 50.52 H new ATOM 0 HB2 LEU A 731 -2.091 3.602 2.012 1.00 53.44 H new ATOM 0 HB3 LEU A 731 -3.542 3.118 1.155 1.00 53.44 H new ATOM 0 HG LEU A 731 -1.340 3.258 -0.144 1.00 50.04 H new ATOM 0 HD11 LEU A 731 -2.462 4.042 -2.190 1.00 65.43 H new ATOM 0 HD12 LEU A 731 -3.496 2.954 -1.235 1.00 65.43 H new ATOM 0 HD13 LEU A 731 -3.782 4.711 -1.201 1.00 65.43 H new ATOM 0 HD21 LEU A 731 -0.816 5.482 -1.098 1.00 44.42 H new ATOM 0 HD22 LEU A 731 -2.052 6.213 -0.045 1.00 44.42 H new ATOM 0 HD23 LEU A 731 -0.611 5.451 0.670 1.00 44.42 H new ATOM 392 N LEU A 732 -5.874 4.801 1.265 1.00 2.20 N ATOM 393 CA LEU A 732 -7.132 5.013 0.569 1.00 53.32 C ATOM 394 C LEU A 732 -7.665 6.426 0.795 1.00 24.01 C ATOM 395 O LEU A 732 -8.123 7.080 -0.149 1.00 12.14 O ATOM 396 CB LEU A 732 -8.171 3.983 1.018 1.00 32.13 C ATOM 397 CG LEU A 732 -7.880 2.541 0.601 1.00 2.22 C ATOM 398 CD1 LEU A 732 -8.892 1.595 1.222 1.00 71.34 C ATOM 399 CD2 LEU A 732 -7.897 2.411 -0.916 1.00 71.14 C ATOM 0 H LEU A 732 -5.912 4.091 1.996 1.00 2.20 H new ATOM 0 HA LEU A 732 -6.944 4.890 -0.498 1.00 53.32 H new ATOM 0 HB2 LEU A 732 -8.251 4.021 2.104 1.00 32.13 H new ATOM 0 HB3 LEU A 732 -9.142 4.272 0.616 1.00 32.13 H new ATOM 0 HG LEU A 732 -6.887 2.273 0.961 1.00 2.22 H new ATOM 0 HD11 LEU A 732 -8.671 0.573 0.915 1.00 71.34 H new ATOM 0 HD12 LEU A 732 -8.839 1.667 2.308 1.00 71.34 H new ATOM 0 HD13 LEU A 732 -9.894 1.865 0.889 1.00 71.34 H new ATOM 0 HD21 LEU A 732 -7.688 1.378 -1.195 1.00 71.14 H new ATOM 0 HD22 LEU A 732 -8.878 2.698 -1.295 1.00 71.14 H new ATOM 0 HD23 LEU A 732 -7.137 3.064 -1.346 1.00 71.14 H new ATOM 411 N GLU A 733 -7.600 6.907 2.035 1.00 24.24 N ATOM 412 CA GLU A 733 -8.153 8.218 2.351 1.00 13.14 C ATOM 413 C GLU A 733 -7.226 9.336 1.884 1.00 43.52 C ATOM 414 O GLU A 733 -7.690 10.427 1.545 1.00 24.41 O ATOM 415 CB GLU A 733 -8.469 8.364 3.842 1.00 21.30 C ATOM 416 CG GLU A 733 -7.260 8.463 4.750 1.00 21.34 C ATOM 417 CD GLU A 733 -7.651 8.932 6.130 1.00 42.31 C ATOM 418 OE1 GLU A 733 -8.531 8.299 6.744 1.00 1.25 O ATOM 419 OE2 GLU A 733 -7.118 9.959 6.592 1.00 35.52 O ATOM 0 H GLU A 733 -7.177 6.417 2.824 1.00 24.24 H new ATOM 0 HA GLU A 733 -9.094 8.304 1.808 1.00 13.14 H new ATOM 0 HB2 GLU A 733 -9.082 9.254 3.982 1.00 21.30 H new ATOM 0 HB3 GLU A 733 -9.070 7.510 4.155 1.00 21.30 H new ATOM 0 HG2 GLU A 733 -6.772 7.490 4.818 1.00 21.34 H new ATOM 0 HG3 GLU A 733 -6.535 9.154 4.320 1.00 21.34 H new ATOM 426 N TYR A 734 -5.921 9.068 1.862 1.00 14.34 N ATOM 427 CA TYR A 734 -4.964 10.013 1.306 1.00 63.43 C ATOM 428 C TYR A 734 -5.353 10.359 -0.126 1.00 62.15 C ATOM 429 O TYR A 734 -5.437 11.532 -0.497 1.00 13.10 O ATOM 430 CB TYR A 734 -3.542 9.431 1.337 1.00 50.33 C ATOM 431 CG TYR A 734 -2.604 10.089 0.346 1.00 51.15 C ATOM 432 CD1 TYR A 734 -1.946 11.275 0.648 1.00 62.05 C ATOM 433 CD2 TYR A 734 -2.395 9.521 -0.904 1.00 61.11 C ATOM 434 CE1 TYR A 734 -1.103 11.872 -0.271 1.00 21.21 C ATOM 435 CE2 TYR A 734 -1.557 10.114 -1.827 1.00 20.31 C ATOM 436 CZ TYR A 734 -0.912 11.289 -1.506 1.00 60.10 C ATOM 437 OH TYR A 734 -0.072 11.884 -2.422 1.00 44.35 O ATOM 0 H TYR A 734 -5.507 8.208 2.222 1.00 14.34 H new ATOM 0 HA TYR A 734 -4.978 10.918 1.913 1.00 63.43 H new ATOM 0 HB2 TYR A 734 -3.134 9.541 2.342 1.00 50.33 H new ATOM 0 HB3 TYR A 734 -3.589 8.362 1.127 1.00 50.33 H new ATOM 0 HD1 TYR A 734 -2.095 11.736 1.613 1.00 62.05 H new ATOM 0 HD2 TYR A 734 -2.897 8.599 -1.158 1.00 61.11 H new ATOM 0 HE1 TYR A 734 -0.596 12.792 -0.022 1.00 21.21 H new ATOM 0 HE2 TYR A 734 -1.408 9.660 -2.795 1.00 20.31 H new ATOM 0 HH TYR A 734 -0.047 11.346 -3.241 1.00 44.35 H new ATOM 447 N ALA A 735 -5.612 9.328 -0.916 1.00 43.24 N ATOM 448 CA ALA A 735 -5.934 9.507 -2.318 1.00 45.00 C ATOM 449 C ALA A 735 -7.267 10.222 -2.485 1.00 32.01 C ATOM 450 O ALA A 735 -7.344 11.249 -3.155 1.00 34.25 O ATOM 451 CB ALA A 735 -5.953 8.162 -3.024 1.00 21.54 C ATOM 0 H ALA A 735 -5.605 8.356 -0.606 1.00 43.24 H new ATOM 0 HA ALA A 735 -5.164 10.130 -2.772 1.00 45.00 H new ATOM 0 HB1 ALA A 735 -6.196 8.307 -4.077 1.00 21.54 H new ATOM 0 HB2 ALA A 735 -4.973 7.693 -2.939 1.00 21.54 H new ATOM 0 HB3 ALA A 735 -6.704 7.520 -2.564 1.00 21.54 H new ATOM 457 N ARG A 736 -8.298 9.693 -1.835 1.00 55.14 N ATOM 458 CA ARG A 736 -9.663 10.194 -2.000 1.00 42.24 C ATOM 459 C ARG A 736 -9.763 11.675 -1.626 1.00 1.24 C ATOM 460 O ARG A 736 -10.502 12.438 -2.251 1.00 31.33 O ATOM 461 CB ARG A 736 -10.627 9.361 -1.149 1.00 34.03 C ATOM 462 CG ARG A 736 -10.618 9.715 0.329 1.00 62.05 C ATOM 463 CD ARG A 736 -11.555 8.834 1.135 1.00 2.11 C ATOM 464 NE ARG A 736 -11.559 9.208 2.549 1.00 12.23 N ATOM 465 CZ ARG A 736 -12.222 8.549 3.497 1.00 13.10 C ATOM 466 NH1 ARG A 736 -12.901 7.447 3.202 1.00 40.41 N ATOM 467 NH2 ARG A 736 -12.188 8.983 4.750 1.00 2.14 N ATOM 0 H ARG A 736 -8.216 8.912 -1.184 1.00 55.14 H new ATOM 0 HA ARG A 736 -9.937 10.100 -3.051 1.00 42.24 H new ATOM 0 HB2 ARG A 736 -11.638 9.489 -1.536 1.00 34.03 H new ATOM 0 HB3 ARG A 736 -10.374 8.307 -1.260 1.00 34.03 H new ATOM 0 HG2 ARG A 736 -9.605 9.617 0.718 1.00 62.05 H new ATOM 0 HG3 ARG A 736 -10.907 10.759 0.453 1.00 62.05 H new ATOM 0 HD2 ARG A 736 -12.565 8.913 0.734 1.00 2.11 H new ATOM 0 HD3 ARG A 736 -11.253 7.792 1.034 1.00 2.11 H new ATOM 0 HE ARG A 736 -11.019 10.027 2.827 1.00 12.23 H new ATOM 0 HH11 ARG A 736 -12.917 7.099 2.243 1.00 40.41 H new ATOM 0 HH12 ARG A 736 -13.406 6.948 3.934 1.00 40.41 H new ATOM 0 HH21 ARG A 736 -11.655 9.820 4.986 1.00 2.14 H new ATOM 0 HH22 ARG A 736 -12.695 8.480 5.478 1.00 2.14 H new ATOM 481 N SER A 737 -9.006 12.071 -0.612 1.00 5.34 N ATOM 482 CA SER A 737 -9.028 13.444 -0.126 1.00 42.21 C ATOM 483 C SER A 737 -8.258 14.366 -1.068 1.00 40.01 C ATOM 484 O SER A 737 -8.663 15.503 -1.310 1.00 41.40 O ATOM 485 CB SER A 737 -8.434 13.507 1.290 1.00 4.42 C ATOM 486 OG SER A 737 -8.621 14.782 1.880 1.00 44.02 O ATOM 0 H SER A 737 -8.366 11.457 -0.108 1.00 5.34 H new ATOM 0 HA SER A 737 -10.063 13.784 -0.092 1.00 42.21 H new ATOM 0 HB2 SER A 737 -8.900 12.745 1.915 1.00 4.42 H new ATOM 0 HB3 SER A 737 -7.369 13.278 1.249 1.00 4.42 H new ATOM 0 HG SER A 737 -8.233 14.786 2.780 1.00 44.02 H new ATOM 492 N HIS A 738 -7.161 13.863 -1.623 1.00 30.40 N ATOM 493 CA HIS A 738 -6.284 14.686 -2.453 1.00 65.23 C ATOM 494 C HIS A 738 -6.722 14.670 -3.917 1.00 1.44 C ATOM 495 O HIS A 738 -6.185 15.406 -4.741 1.00 20.11 O ATOM 496 CB HIS A 738 -4.826 14.225 -2.326 1.00 23.44 C ATOM 497 CG HIS A 738 -4.211 14.502 -0.981 1.00 10.24 C ATOM 498 ND1 HIS A 738 -2.877 14.803 -0.809 1.00 14.12 N ATOM 499 CD2 HIS A 738 -4.754 14.502 0.262 1.00 70.14 C ATOM 500 CE1 HIS A 738 -2.628 14.970 0.479 1.00 74.51 C ATOM 501 NE2 HIS A 738 -3.749 14.794 1.149 1.00 63.00 N ATOM 0 H HIS A 738 -6.857 12.895 -1.515 1.00 30.40 H new ATOM 0 HA HIS A 738 -6.358 15.712 -2.092 1.00 65.23 H new ATOM 0 HB2 HIS A 738 -4.776 13.154 -2.523 1.00 23.44 H new ATOM 0 HB3 HIS A 738 -4.231 14.719 -3.095 1.00 23.44 H new ATOM 0 HD2 HIS A 738 -5.787 14.308 0.508 1.00 70.14 H new ATOM 0 HE1 HIS A 738 -1.667 15.210 0.910 1.00 74.51 H new ATOM 0 HE2 HIS A 738 -3.853 14.863 2.161 1.00 63.00 H new ATOM 510 N GLY A 739 -7.691 13.822 -4.238 1.00 23.14 N ATOM 511 CA GLY A 739 -8.238 13.799 -5.583 1.00 72.41 C ATOM 512 C GLY A 739 -7.745 12.626 -6.405 1.00 34.03 C ATOM 513 O GLY A 739 -8.171 12.435 -7.544 1.00 21.15 O ATOM 0 H GLY A 739 -8.108 13.151 -3.593 1.00 23.14 H new ATOM 0 HA2 GLY A 739 -9.326 13.763 -5.526 1.00 72.41 H new ATOM 0 HA3 GLY A 739 -7.976 14.727 -6.091 1.00 72.41 H new ATOM 517 N PHE A 740 -6.850 11.833 -5.832 1.00 33.12 N ATOM 518 CA PHE A 740 -6.303 10.675 -6.524 1.00 2.14 C ATOM 519 C PHE A 740 -7.176 9.450 -6.282 1.00 41.24 C ATOM 520 O PHE A 740 -8.092 9.478 -5.459 1.00 5.32 O ATOM 521 CB PHE A 740 -4.876 10.384 -6.051 1.00 51.04 C ATOM 522 CG PHE A 740 -3.909 11.511 -6.276 1.00 12.03 C ATOM 523 CD1 PHE A 740 -3.359 11.730 -7.530 1.00 42.42 C ATOM 524 CD2 PHE A 740 -3.541 12.345 -5.233 1.00 23.11 C ATOM 525 CE1 PHE A 740 -2.464 12.762 -7.738 1.00 14.12 C ATOM 526 CE2 PHE A 740 -2.645 13.377 -5.435 1.00 13.44 C ATOM 527 CZ PHE A 740 -2.106 13.587 -6.689 1.00 53.13 C ATOM 0 H PHE A 740 -6.487 11.971 -4.889 1.00 33.12 H new ATOM 0 HA PHE A 740 -6.284 10.900 -7.590 1.00 2.14 H new ATOM 0 HB2 PHE A 740 -4.899 10.148 -4.987 1.00 51.04 H new ATOM 0 HB3 PHE A 740 -4.508 9.497 -6.567 1.00 51.04 H new ATOM 0 HD1 PHE A 740 -3.633 11.087 -8.353 1.00 42.42 H new ATOM 0 HD2 PHE A 740 -3.960 12.187 -4.250 1.00 23.11 H new ATOM 0 HE1 PHE A 740 -2.045 12.924 -8.720 1.00 14.12 H new ATOM 0 HE2 PHE A 740 -2.366 14.019 -4.613 1.00 13.44 H new ATOM 0 HZ PHE A 740 -1.406 14.394 -6.849 1.00 53.13 H new ATOM 537 N ALA A 741 -6.902 8.386 -7.012 1.00 73.14 N ATOM 538 CA ALA A 741 -7.557 7.114 -6.777 1.00 62.24 C ATOM 539 C ALA A 741 -6.530 6.091 -6.328 1.00 30.12 C ATOM 540 O ALA A 741 -5.468 5.973 -6.934 1.00 3.52 O ATOM 541 CB ALA A 741 -8.274 6.637 -8.030 1.00 23.02 C ATOM 0 H ALA A 741 -6.227 8.378 -7.776 1.00 73.14 H new ATOM 0 HA ALA A 741 -8.303 7.240 -5.993 1.00 62.24 H new ATOM 0 HB1 ALA A 741 -8.758 5.681 -7.831 1.00 23.02 H new ATOM 0 HB2 ALA A 741 -9.026 7.371 -8.321 1.00 23.02 H new ATOM 0 HB3 ALA A 741 -7.553 6.517 -8.838 1.00 23.02 H new ATOM 547 N ALA A 742 -6.835 5.380 -5.255 1.00 64.32 N ATOM 548 CA ALA A 742 -5.927 4.376 -4.726 1.00 51.11 C ATOM 549 C ALA A 742 -6.339 2.987 -5.189 1.00 24.33 C ATOM 550 O ALA A 742 -7.375 2.466 -4.774 1.00 63.31 O ATOM 551 CB ALA A 742 -5.892 4.442 -3.208 1.00 43.40 C ATOM 0 H ALA A 742 -7.705 5.480 -4.733 1.00 64.32 H new ATOM 0 HA ALA A 742 -4.926 4.581 -5.105 1.00 51.11 H new ATOM 0 HB1 ALA A 742 -5.208 3.684 -2.827 1.00 43.40 H new ATOM 0 HB2 ALA A 742 -5.552 5.429 -2.894 1.00 43.40 H new ATOM 0 HB3 ALA A 742 -6.891 4.260 -2.813 1.00 43.40 H new ATOM 557 N GLU A 743 -5.535 2.402 -6.060 1.00 31.13 N ATOM 558 CA GLU A 743 -5.838 1.092 -6.616 1.00 12.13 C ATOM 559 C GLU A 743 -4.804 0.060 -6.182 1.00 11.13 C ATOM 560 O GLU A 743 -3.602 0.304 -6.251 1.00 11.01 O ATOM 561 CB GLU A 743 -5.885 1.158 -8.143 1.00 15.43 C ATOM 562 CG GLU A 743 -7.002 2.030 -8.691 1.00 53.52 C ATOM 563 CD GLU A 743 -7.024 2.047 -10.205 1.00 21.30 C ATOM 564 OE1 GLU A 743 -7.381 1.010 -10.809 1.00 11.23 O ATOM 565 OE2 GLU A 743 -6.672 3.090 -10.798 1.00 52.32 O ATOM 0 H GLU A 743 -4.665 2.813 -6.399 1.00 31.13 H new ATOM 0 HA GLU A 743 -6.814 0.788 -6.238 1.00 12.13 H new ATOM 0 HB2 GLU A 743 -4.930 1.536 -8.509 1.00 15.43 H new ATOM 0 HB3 GLU A 743 -6.000 0.148 -8.536 1.00 15.43 H new ATOM 0 HG2 GLU A 743 -7.960 1.666 -8.319 1.00 53.52 H new ATOM 0 HG3 GLU A 743 -6.882 3.048 -8.320 1.00 53.52 H new ATOM 572 N PHE A 744 -5.282 -1.088 -5.732 1.00 21.24 N ATOM 573 CA PHE A 744 -4.404 -2.192 -5.367 1.00 33.41 C ATOM 574 C PHE A 744 -4.604 -3.349 -6.332 1.00 42.23 C ATOM 575 O PHE A 744 -5.648 -3.997 -6.316 1.00 42.31 O ATOM 576 CB PHE A 744 -4.685 -2.667 -3.939 1.00 32.22 C ATOM 577 CG PHE A 744 -4.371 -1.654 -2.875 1.00 71.44 C ATOM 578 CD1 PHE A 744 -5.322 -0.730 -2.472 1.00 75.11 C ATOM 579 CD2 PHE A 744 -3.125 -1.636 -2.270 1.00 24.34 C ATOM 580 CE1 PHE A 744 -5.034 0.194 -1.486 1.00 32.12 C ATOM 581 CE2 PHE A 744 -2.832 -0.716 -1.284 1.00 14.01 C ATOM 582 CZ PHE A 744 -3.788 0.203 -0.892 1.00 11.54 C ATOM 0 H PHE A 744 -6.276 -1.282 -5.610 1.00 21.24 H new ATOM 0 HA PHE A 744 -3.374 -1.840 -5.420 1.00 33.41 H new ATOM 0 HB2 PHE A 744 -5.736 -2.943 -3.861 1.00 32.22 H new ATOM 0 HB3 PHE A 744 -4.103 -3.569 -3.748 1.00 32.22 H new ATOM 0 HD1 PHE A 744 -6.298 -0.732 -2.933 1.00 75.11 H new ATOM 0 HD2 PHE A 744 -2.374 -2.350 -2.574 1.00 24.34 H new ATOM 0 HE1 PHE A 744 -5.783 0.909 -1.180 1.00 32.12 H new ATOM 0 HE2 PHE A 744 -1.857 -0.714 -0.819 1.00 14.01 H new ATOM 0 HZ PHE A 744 -3.560 0.926 -0.123 1.00 11.54 H new ATOM 592 N LYS A 745 -3.618 -3.607 -7.175 1.00 63.14 N ATOM 593 CA LYS A 745 -3.732 -4.691 -8.137 1.00 13.20 C ATOM 594 C LYS A 745 -2.602 -5.697 -7.976 1.00 75.23 C ATOM 595 O LYS A 745 -1.511 -5.360 -7.509 1.00 15.24 O ATOM 596 CB LYS A 745 -3.743 -4.165 -9.575 1.00 72.42 C ATOM 597 CG LYS A 745 -2.476 -3.425 -9.979 1.00 10.10 C ATOM 598 CD LYS A 745 -2.253 -3.487 -11.483 1.00 13.52 C ATOM 599 CE LYS A 745 -3.421 -2.897 -12.255 1.00 33.43 C ATOM 600 NZ LYS A 745 -3.289 -3.135 -13.717 1.00 43.11 N ATOM 0 H LYS A 745 -2.740 -3.089 -7.214 1.00 63.14 H new ATOM 0 HA LYS A 745 -4.680 -5.190 -7.937 1.00 13.20 H new ATOM 0 HB2 LYS A 745 -3.893 -5.003 -10.255 1.00 72.42 H new ATOM 0 HB3 LYS A 745 -4.595 -3.497 -9.699 1.00 72.42 H new ATOM 0 HG2 LYS A 745 -2.544 -2.384 -9.662 1.00 10.10 H new ATOM 0 HG3 LYS A 745 -1.619 -3.860 -9.464 1.00 10.10 H new ATOM 0 HD2 LYS A 745 -1.341 -2.947 -11.737 1.00 13.52 H new ATOM 0 HD3 LYS A 745 -2.105 -4.524 -11.785 1.00 13.52 H new ATOM 0 HE2 LYS A 745 -4.353 -3.336 -11.897 1.00 33.43 H new ATOM 0 HE3 LYS A 745 -3.479 -1.825 -12.064 1.00 33.43 H new ATOM 0 HZ1 LYS A 745 -4.104 -2.719 -14.211 1.00 43.11 H new ATOM 0 HZ2 LYS A 745 -2.412 -2.695 -14.063 1.00 43.11 H new ATOM 0 HZ3 LYS A 745 -3.259 -4.158 -13.901 1.00 43.11 H new ATOM 614 N LEU A 746 -2.881 -6.933 -8.359 1.00 30.41 N ATOM 615 CA LEU A 746 -1.876 -7.983 -8.364 1.00 64.21 C ATOM 616 C LEU A 746 -1.067 -7.884 -9.653 1.00 34.52 C ATOM 617 O LEU A 746 -1.597 -8.083 -10.746 1.00 24.34 O ATOM 618 CB LEU A 746 -2.560 -9.356 -8.238 1.00 53.11 C ATOM 619 CG LEU A 746 -1.659 -10.539 -7.851 1.00 14.22 C ATOM 620 CD1 LEU A 746 -2.506 -11.696 -7.344 1.00 55.54 C ATOM 621 CD2 LEU A 746 -0.818 -11.003 -9.030 1.00 75.20 C ATOM 0 H LEU A 746 -3.803 -7.235 -8.673 1.00 30.41 H new ATOM 0 HA LEU A 746 -1.201 -7.866 -7.516 1.00 64.21 H new ATOM 0 HB2 LEU A 746 -3.354 -9.275 -7.495 1.00 53.11 H new ATOM 0 HB3 LEU A 746 -3.037 -9.588 -9.190 1.00 53.11 H new ATOM 0 HG LEU A 746 -0.987 -10.202 -7.061 1.00 14.22 H new ATOM 0 HD11 LEU A 746 -1.858 -12.529 -7.072 1.00 55.54 H new ATOM 0 HD12 LEU A 746 -3.072 -11.376 -6.469 1.00 55.54 H new ATOM 0 HD13 LEU A 746 -3.195 -12.013 -8.127 1.00 55.54 H new ATOM 0 HD21 LEU A 746 -0.192 -11.841 -8.723 1.00 75.20 H new ATOM 0 HD22 LEU A 746 -1.473 -11.318 -9.842 1.00 75.20 H new ATOM 0 HD23 LEU A 746 -0.186 -10.183 -9.371 1.00 75.20 H new ATOM 633 N VAL A 747 0.206 -7.554 -9.519 1.00 73.33 N ATOM 634 CA VAL A 747 1.075 -7.360 -10.670 1.00 13.14 C ATOM 635 C VAL A 747 1.603 -8.697 -11.177 1.00 64.21 C ATOM 636 O VAL A 747 1.525 -9.004 -12.370 1.00 21.24 O ATOM 637 CB VAL A 747 2.261 -6.439 -10.316 1.00 73.51 C ATOM 638 CG1 VAL A 747 3.145 -6.191 -11.526 1.00 54.15 C ATOM 639 CG2 VAL A 747 1.762 -5.126 -9.741 1.00 33.51 C ATOM 0 H VAL A 747 0.664 -7.414 -8.619 1.00 73.33 H new ATOM 0 HA VAL A 747 0.484 -6.888 -11.455 1.00 13.14 H new ATOM 0 HB VAL A 747 2.863 -6.943 -9.560 1.00 73.51 H new ATOM 0 HG11 VAL A 747 3.972 -5.539 -11.245 1.00 54.15 H new ATOM 0 HG12 VAL A 747 3.539 -7.140 -11.889 1.00 54.15 H new ATOM 0 HG13 VAL A 747 2.559 -5.716 -12.313 1.00 54.15 H new ATOM 0 HG21 VAL A 747 2.612 -4.489 -9.497 1.00 33.51 H new ATOM 0 HG22 VAL A 747 1.131 -4.624 -10.475 1.00 33.51 H new ATOM 0 HG23 VAL A 747 1.184 -5.321 -8.838 1.00 33.51 H new ATOM 649 N ASP A 748 2.140 -9.487 -10.261 1.00 71.21 N ATOM 650 CA ASP A 748 2.674 -10.802 -10.588 1.00 62.14 C ATOM 651 C ASP A 748 2.656 -11.677 -9.351 1.00 72.31 C ATOM 652 O ASP A 748 2.795 -11.181 -8.237 1.00 1.44 O ATOM 653 CB ASP A 748 4.109 -10.684 -11.120 1.00 53.14 C ATOM 654 CG ASP A 748 4.711 -12.030 -11.488 1.00 52.30 C ATOM 655 OD1 ASP A 748 4.456 -12.514 -12.611 1.00 45.04 O ATOM 656 OD2 ASP A 748 5.447 -12.611 -10.663 1.00 45.32 O ATOM 0 H ASP A 748 2.218 -9.238 -9.275 1.00 71.21 H new ATOM 0 HA ASP A 748 2.053 -11.251 -11.363 1.00 62.14 H new ATOM 0 HB2 ASP A 748 4.115 -10.036 -11.997 1.00 53.14 H new ATOM 0 HB3 ASP A 748 4.734 -10.205 -10.366 1.00 53.14 H new ATOM 661 N GLN A 749 2.452 -12.962 -9.528 1.00 45.31 N ATOM 662 CA GLN A 749 2.522 -13.882 -8.415 1.00 41.52 C ATOM 663 C GLN A 749 3.758 -14.763 -8.539 1.00 41.33 C ATOM 664 O GLN A 749 3.869 -15.591 -9.445 1.00 64.44 O ATOM 665 CB GLN A 749 1.229 -14.709 -8.294 1.00 71.03 C ATOM 666 CG GLN A 749 0.869 -15.519 -9.535 1.00 72.20 C ATOM 667 CD GLN A 749 1.191 -17.000 -9.410 1.00 14.30 C ATOM 668 OE1 GLN A 749 0.993 -17.564 -8.228 1.00 44.50 O flip ATOM 669 NE2 GLN A 749 1.569 -17.644 -10.386 1.00 53.41 N flip ATOM 0 H GLN A 749 2.237 -13.393 -10.427 1.00 45.31 H new ATOM 0 HA GLN A 749 2.614 -13.309 -7.492 1.00 41.52 H new ATOM 0 HB2 GLN A 749 1.328 -15.390 -7.449 1.00 71.03 H new ATOM 0 HB3 GLN A 749 0.403 -14.035 -8.065 1.00 71.03 H new ATOM 0 HG2 GLN A 749 -0.196 -15.403 -9.738 1.00 72.20 H new ATOM 0 HG3 GLN A 749 1.403 -15.111 -10.393 1.00 72.20 H new ATOM 0 HE21 GLN A 749 1.711 -17.177 -11.281 1.00 53.41 H new ATOM 0 HE22 GLN A 749 1.740 -18.646 -10.301 1.00 53.41 H new ATOM 678 N SER A 750 4.713 -14.531 -7.657 1.00 14.23 N ATOM 679 CA SER A 750 5.923 -15.330 -7.605 1.00 1.34 C ATOM 680 C SER A 750 5.885 -16.196 -6.356 1.00 3.13 C ATOM 681 O SER A 750 6.478 -15.853 -5.331 1.00 41.24 O ATOM 682 CB SER A 750 7.156 -14.425 -7.581 1.00 73.12 C ATOM 683 OG SER A 750 7.069 -13.406 -8.567 1.00 41.24 O ATOM 0 H SER A 750 4.672 -13.787 -6.960 1.00 14.23 H new ATOM 0 HA SER A 750 5.981 -15.963 -8.491 1.00 1.34 H new ATOM 0 HB2 SER A 750 7.258 -13.972 -6.595 1.00 73.12 H new ATOM 0 HB3 SER A 750 8.052 -15.023 -7.751 1.00 73.12 H new ATOM 0 HG SER A 750 6.360 -13.628 -9.206 1.00 41.24 H new ATOM 689 N GLY A 751 5.166 -17.305 -6.426 1.00 40.12 N ATOM 690 CA GLY A 751 4.908 -18.069 -5.234 1.00 23.32 C ATOM 691 C GLY A 751 5.181 -19.547 -5.377 1.00 55.11 C ATOM 692 O GLY A 751 4.504 -20.239 -6.140 1.00 62.24 O ATOM 0 H GLY A 751 4.761 -17.684 -7.282 1.00 40.12 H new ATOM 0 HA2 GLY A 751 5.520 -17.674 -4.423 1.00 23.32 H new ATOM 0 HA3 GLY A 751 3.867 -17.929 -4.944 1.00 23.32 H new ATOM 696 N PRO A 752 6.191 -20.053 -4.659 1.00 31.20 N ATOM 697 CA PRO A 752 6.408 -21.491 -4.487 1.00 55.12 C ATOM 698 C PRO A 752 5.210 -22.149 -3.792 1.00 4.03 C ATOM 699 O PRO A 752 4.321 -21.455 -3.293 1.00 54.31 O ATOM 700 CB PRO A 752 7.659 -21.559 -3.595 1.00 34.30 C ATOM 701 CG PRO A 752 7.756 -20.214 -2.961 1.00 53.53 C ATOM 702 CD PRO A 752 7.219 -19.257 -3.976 1.00 43.02 C ATOM 0 HA PRO A 752 6.528 -22.017 -5.434 1.00 55.12 H new ATOM 0 HB2 PRO A 752 7.566 -22.343 -2.844 1.00 34.30 H new ATOM 0 HB3 PRO A 752 8.550 -21.784 -4.181 1.00 34.30 H new ATOM 0 HG2 PRO A 752 7.178 -20.172 -2.038 1.00 53.53 H new ATOM 0 HG3 PRO A 752 8.788 -19.975 -2.703 1.00 53.53 H new ATOM 0 HD2 PRO A 752 6.798 -18.366 -3.510 1.00 43.02 H new ATOM 0 HD3 PRO A 752 7.994 -18.920 -4.665 1.00 43.02 H new ATOM 710 N PRO A 753 5.159 -23.489 -3.743 1.00 64.45 N ATOM 711 CA PRO A 753 4.041 -24.206 -3.120 1.00 33.33 C ATOM 712 C PRO A 753 3.891 -23.890 -1.632 1.00 71.24 C ATOM 713 O PRO A 753 2.775 -23.814 -1.117 1.00 53.40 O ATOM 714 CB PRO A 753 4.392 -25.684 -3.314 1.00 0.51 C ATOM 715 CG PRO A 753 5.850 -25.710 -3.624 1.00 75.21 C ATOM 716 CD PRO A 753 6.156 -24.410 -4.307 1.00 51.10 C ATOM 0 HA PRO A 753 3.090 -23.919 -3.569 1.00 33.33 H new ATOM 0 HB2 PRO A 753 4.171 -26.261 -2.416 1.00 0.51 H new ATOM 0 HB3 PRO A 753 3.810 -26.122 -4.125 1.00 0.51 H new ATOM 0 HG2 PRO A 753 6.440 -25.820 -2.714 1.00 75.21 H new ATOM 0 HG3 PRO A 753 6.096 -26.555 -4.267 1.00 75.21 H new ATOM 0 HD2 PRO A 753 7.173 -24.077 -4.101 1.00 51.10 H new ATOM 0 HD3 PRO A 753 6.061 -24.492 -5.390 1.00 51.10 H new ATOM 724 N HIS A 754 5.011 -23.692 -0.949 1.00 25.53 N ATOM 725 CA HIS A 754 4.988 -23.428 0.485 1.00 23.50 C ATOM 726 C HIS A 754 4.728 -21.953 0.774 1.00 32.34 C ATOM 727 O HIS A 754 4.276 -21.595 1.861 1.00 50.22 O ATOM 728 CB HIS A 754 6.304 -23.875 1.135 1.00 22.33 C ATOM 729 CG HIS A 754 7.515 -23.120 0.674 1.00 45.45 C ATOM 730 ND1 HIS A 754 8.102 -23.377 -0.542 1.00 33.24 N ATOM 731 CD2 HIS A 754 8.208 -22.141 1.302 1.00 43.41 C ATOM 732 CE1 HIS A 754 9.133 -22.554 -0.622 1.00 73.14 C ATOM 733 NE2 HIS A 754 9.236 -21.785 0.469 1.00 24.53 N ATOM 0 H HIS A 754 5.943 -23.709 -1.362 1.00 25.53 H new ATOM 0 HA HIS A 754 4.169 -24.004 0.916 1.00 23.50 H new ATOM 0 HB2 HIS A 754 6.215 -23.768 2.216 1.00 22.33 H new ATOM 0 HB3 HIS A 754 6.453 -24.935 0.931 1.00 22.33 H new ATOM 0 HD2 HIS A 754 7.992 -21.721 2.273 1.00 43.41 H new ATOM 0 HE1 HIS A 754 9.809 -22.508 -1.463 1.00 73.14 H new ATOM 0 HE2 HIS A 754 9.943 -21.072 0.646 1.00 24.53 H new ATOM 741 N GLU A 755 4.990 -21.102 -0.210 1.00 34.14 N ATOM 742 CA GLU A 755 4.859 -19.665 -0.029 1.00 4.45 C ATOM 743 C GLU A 755 4.307 -18.983 -1.274 1.00 40.21 C ATOM 744 O GLU A 755 5.057 -18.362 -2.025 1.00 24.53 O ATOM 745 CB GLU A 755 6.206 -19.036 0.329 1.00 41.23 C ATOM 746 CG GLU A 755 6.530 -19.065 1.810 1.00 72.11 C ATOM 747 CD GLU A 755 7.801 -18.312 2.129 1.00 34.23 C ATOM 748 OE1 GLU A 755 8.884 -18.922 2.083 1.00 34.33 O ATOM 749 OE2 GLU A 755 7.725 -17.101 2.421 1.00 70.34 O ATOM 0 H GLU A 755 5.295 -21.384 -1.142 1.00 34.14 H new ATOM 0 HA GLU A 755 4.155 -19.516 0.790 1.00 4.45 H new ATOM 0 HB2 GLU A 755 6.994 -19.557 -0.214 1.00 41.23 H new ATOM 0 HB3 GLU A 755 6.214 -18.001 -0.013 1.00 41.23 H new ATOM 0 HG2 GLU A 755 5.702 -18.631 2.370 1.00 72.11 H new ATOM 0 HG3 GLU A 755 6.630 -20.099 2.139 1.00 72.11 H new ATOM 756 N PRO A 756 3.000 -19.126 -1.535 1.00 14.13 N ATOM 757 CA PRO A 756 2.326 -18.352 -2.579 1.00 61.24 C ATOM 758 C PRO A 756 2.466 -16.851 -2.331 1.00 41.55 C ATOM 759 O PRO A 756 1.681 -16.255 -1.592 1.00 13.41 O ATOM 760 CB PRO A 756 0.859 -18.778 -2.471 1.00 51.01 C ATOM 761 CG PRO A 756 0.877 -20.086 -1.752 1.00 75.35 C ATOM 762 CD PRO A 756 2.092 -20.070 -0.864 1.00 61.50 C ATOM 0 HA PRO A 756 2.750 -18.535 -3.566 1.00 61.24 H new ATOM 0 HB2 PRO A 756 0.274 -18.038 -1.925 1.00 51.01 H new ATOM 0 HB3 PRO A 756 0.406 -18.878 -3.457 1.00 51.01 H new ATOM 0 HG2 PRO A 756 -0.031 -20.218 -1.164 1.00 75.35 H new ATOM 0 HG3 PRO A 756 0.923 -20.916 -2.457 1.00 75.35 H new ATOM 0 HD2 PRO A 756 1.846 -19.741 0.146 1.00 61.50 H new ATOM 0 HD3 PRO A 756 2.537 -21.061 -0.776 1.00 61.50 H new ATOM 770 N LYS A 757 3.491 -16.257 -2.925 1.00 71.12 N ATOM 771 CA LYS A 757 3.806 -14.858 -2.700 1.00 62.21 C ATOM 772 C LYS A 757 3.307 -14.010 -3.860 1.00 52.12 C ATOM 773 O LYS A 757 3.561 -14.318 -5.025 1.00 43.54 O ATOM 774 CB LYS A 757 5.316 -14.693 -2.505 1.00 52.21 C ATOM 775 CG LYS A 757 5.751 -13.272 -2.183 1.00 12.03 C ATOM 776 CD LYS A 757 7.185 -13.235 -1.676 1.00 75.20 C ATOM 777 CE LYS A 757 8.169 -13.740 -2.719 1.00 45.25 C ATOM 778 NZ LYS A 757 9.539 -13.882 -2.163 1.00 65.52 N ATOM 0 H LYS A 757 4.123 -16.729 -3.572 1.00 71.12 H new ATOM 0 HA LYS A 757 3.302 -14.517 -1.796 1.00 62.21 H new ATOM 0 HB2 LYS A 757 5.641 -15.352 -1.700 1.00 52.21 H new ATOM 0 HB3 LYS A 757 5.826 -15.021 -3.411 1.00 52.21 H new ATOM 0 HG2 LYS A 757 5.662 -12.651 -3.075 1.00 12.03 H new ATOM 0 HG3 LYS A 757 5.086 -12.847 -1.431 1.00 12.03 H new ATOM 0 HD2 LYS A 757 7.445 -12.214 -1.396 1.00 75.20 H new ATOM 0 HD3 LYS A 757 7.267 -13.843 -0.775 1.00 75.20 H new ATOM 0 HE2 LYS A 757 7.831 -14.703 -3.102 1.00 45.25 H new ATOM 0 HE3 LYS A 757 8.189 -13.051 -3.563 1.00 45.25 H new ATOM 0 HZ1 LYS A 757 10.180 -14.228 -2.905 1.00 65.52 H new ATOM 0 HZ2 LYS A 757 9.872 -12.958 -1.821 1.00 65.52 H new ATOM 0 HZ3 LYS A 757 9.525 -14.559 -1.374 1.00 65.52 H new ATOM 792 N PHE A 758 2.591 -12.949 -3.534 1.00 31.12 N ATOM 793 CA PHE A 758 1.963 -12.112 -4.540 1.00 1.24 C ATOM 794 C PHE A 758 2.592 -10.725 -4.553 1.00 42.04 C ATOM 795 O PHE A 758 2.830 -10.129 -3.499 1.00 43.25 O ATOM 796 CB PHE A 758 0.462 -12.003 -4.268 1.00 42.50 C ATOM 797 CG PHE A 758 -0.232 -13.334 -4.206 1.00 25.55 C ATOM 798 CD1 PHE A 758 -0.669 -13.953 -5.364 1.00 2.05 C ATOM 799 CD2 PHE A 758 -0.446 -13.967 -2.992 1.00 52.11 C ATOM 800 CE1 PHE A 758 -1.305 -15.178 -5.316 1.00 52.03 C ATOM 801 CE2 PHE A 758 -1.082 -15.192 -2.936 1.00 60.11 C ATOM 802 CZ PHE A 758 -1.513 -15.798 -4.100 1.00 41.12 C ATOM 0 H PHE A 758 2.429 -12.645 -2.574 1.00 31.12 H new ATOM 0 HA PHE A 758 2.117 -12.571 -5.517 1.00 1.24 H new ATOM 0 HB2 PHE A 758 0.308 -11.477 -3.326 1.00 42.50 H new ATOM 0 HB3 PHE A 758 0.002 -11.398 -5.049 1.00 42.50 H new ATOM 0 HD1 PHE A 758 -0.511 -13.472 -6.318 1.00 2.05 H new ATOM 0 HD2 PHE A 758 -0.112 -13.497 -2.079 1.00 52.11 H new ATOM 0 HE1 PHE A 758 -1.639 -15.650 -6.228 1.00 52.03 H new ATOM 0 HE2 PHE A 758 -1.242 -15.675 -1.983 1.00 60.11 H new ATOM 0 HZ PHE A 758 -2.012 -16.755 -4.059 1.00 41.12 H new ATOM 812 N VAL A 759 2.872 -10.230 -5.749 1.00 45.45 N ATOM 813 CA VAL A 759 3.431 -8.901 -5.924 1.00 61.14 C ATOM 814 C VAL A 759 2.312 -7.897 -6.174 1.00 61.21 C ATOM 815 O VAL A 759 1.638 -7.944 -7.206 1.00 14.44 O ATOM 816 CB VAL A 759 4.428 -8.853 -7.103 1.00 44.25 C ATOM 817 CG1 VAL A 759 5.122 -7.500 -7.172 1.00 1.23 C ATOM 818 CG2 VAL A 759 5.443 -9.982 -7.001 1.00 5.22 C ATOM 0 H VAL A 759 2.719 -10.737 -6.621 1.00 45.45 H new ATOM 0 HA VAL A 759 3.968 -8.646 -5.010 1.00 61.14 H new ATOM 0 HB VAL A 759 3.866 -8.989 -8.027 1.00 44.25 H new ATOM 0 HG11 VAL A 759 5.819 -7.491 -8.010 1.00 1.23 H new ATOM 0 HG12 VAL A 759 4.378 -6.716 -7.311 1.00 1.23 H new ATOM 0 HG13 VAL A 759 5.667 -7.323 -6.245 1.00 1.23 H new ATOM 0 HG21 VAL A 759 6.134 -9.927 -7.842 1.00 5.22 H new ATOM 0 HG22 VAL A 759 5.999 -9.888 -6.068 1.00 5.22 H new ATOM 0 HG23 VAL A 759 4.924 -10.940 -7.020 1.00 5.22 H new ATOM 828 N TYR A 760 2.114 -7.004 -5.221 1.00 55.22 N ATOM 829 CA TYR A 760 1.081 -5.989 -5.317 1.00 3.12 C ATOM 830 C TYR A 760 1.699 -4.614 -5.484 1.00 25.40 C ATOM 831 O TYR A 760 2.743 -4.316 -4.903 1.00 3.03 O ATOM 832 CB TYR A 760 0.184 -6.010 -4.078 1.00 14.52 C ATOM 833 CG TYR A 760 -0.995 -6.943 -4.200 1.00 12.34 C ATOM 834 CD1 TYR A 760 -0.835 -8.321 -4.120 1.00 35.13 C ATOM 835 CD2 TYR A 760 -2.272 -6.441 -4.406 1.00 43.23 C ATOM 836 CE1 TYR A 760 -1.918 -9.169 -4.243 1.00 2.31 C ATOM 837 CE2 TYR A 760 -3.358 -7.280 -4.527 1.00 33.33 C ATOM 838 CZ TYR A 760 -3.177 -8.642 -4.447 1.00 34.11 C ATOM 839 OH TYR A 760 -4.257 -9.480 -4.573 1.00 51.10 O ATOM 0 H TYR A 760 2.662 -6.962 -4.362 1.00 55.22 H new ATOM 0 HA TYR A 760 0.472 -6.210 -6.193 1.00 3.12 H new ATOM 0 HB2 TYR A 760 0.780 -6.303 -3.214 1.00 14.52 H new ATOM 0 HB3 TYR A 760 -0.181 -5.001 -3.887 1.00 14.52 H new ATOM 0 HD1 TYR A 760 0.150 -8.734 -3.959 1.00 35.13 H new ATOM 0 HD2 TYR A 760 -2.417 -5.373 -4.473 1.00 43.23 H new ATOM 0 HE1 TYR A 760 -1.780 -10.238 -4.180 1.00 2.31 H new ATOM 0 HE2 TYR A 760 -4.345 -6.871 -4.684 1.00 33.33 H new ATOM 0 HH TYR A 760 -5.069 -8.949 -4.711 1.00 51.10 H new ATOM 849 N GLN A 761 1.056 -3.783 -6.281 1.00 25.23 N ATOM 850 CA GLN A 761 1.521 -2.430 -6.492 1.00 35.13 C ATOM 851 C GLN A 761 0.361 -1.462 -6.323 1.00 62.34 C ATOM 852 O GLN A 761 -0.721 -1.676 -6.880 1.00 73.52 O ATOM 853 CB GLN A 761 2.148 -2.291 -7.880 1.00 74.00 C ATOM 854 CG GLN A 761 2.943 -1.011 -8.073 1.00 14.43 C ATOM 855 CD GLN A 761 3.695 -0.990 -9.387 1.00 23.51 C ATOM 856 OE1 GLN A 761 3.253 -1.563 -10.384 1.00 74.31 O ATOM 857 NE2 GLN A 761 4.849 -0.337 -9.398 1.00 4.33 N ATOM 0 H GLN A 761 0.208 -4.024 -6.794 1.00 25.23 H new ATOM 0 HA GLN A 761 2.287 -2.194 -5.753 1.00 35.13 H new ATOM 0 HB2 GLN A 761 2.803 -3.144 -8.059 1.00 74.00 H new ATOM 0 HB3 GLN A 761 1.358 -2.333 -8.630 1.00 74.00 H new ATOM 0 HG2 GLN A 761 2.267 -0.157 -8.031 1.00 14.43 H new ATOM 0 HG3 GLN A 761 3.650 -0.899 -7.251 1.00 14.43 H new ATOM 0 HE21 GLN A 761 5.182 0.125 -8.552 1.00 4.33 H new ATOM 0 HE22 GLN A 761 5.404 -0.297 -10.253 1.00 4.33 H new ATOM 866 N ALA A 762 0.580 -0.423 -5.536 1.00 12.24 N ATOM 867 CA ALA A 762 -0.454 0.562 -5.277 1.00 22.42 C ATOM 868 C ALA A 762 -0.432 1.653 -6.336 1.00 12.23 C ATOM 869 O ALA A 762 0.528 2.408 -6.455 1.00 71.10 O ATOM 870 CB ALA A 762 -0.292 1.155 -3.886 1.00 2.30 C ATOM 0 H ALA A 762 1.466 -0.240 -5.065 1.00 12.24 H new ATOM 0 HA ALA A 762 -1.422 0.064 -5.323 1.00 22.42 H new ATOM 0 HB1 ALA A 762 -1.076 1.891 -3.711 1.00 2.30 H new ATOM 0 HB2 ALA A 762 -0.366 0.362 -3.142 1.00 2.30 H new ATOM 0 HB3 ALA A 762 0.682 1.637 -3.807 1.00 2.30 H new ATOM 876 N LYS A 763 -1.483 1.709 -7.120 1.00 33.33 N ATOM 877 CA LYS A 763 -1.614 2.720 -8.146 1.00 12.14 C ATOM 878 C LYS A 763 -2.382 3.909 -7.593 1.00 23.51 C ATOM 879 O LYS A 763 -3.595 3.840 -7.401 1.00 55.14 O ATOM 880 CB LYS A 763 -2.329 2.134 -9.363 1.00 32.32 C ATOM 881 CG LYS A 763 -2.667 3.149 -10.442 1.00 51.30 C ATOM 882 CD LYS A 763 -3.417 2.488 -11.583 1.00 31.04 C ATOM 883 CE LYS A 763 -3.837 3.484 -12.647 1.00 52.52 C ATOM 884 NZ LYS A 763 -4.818 4.473 -12.129 1.00 3.00 N ATOM 0 H LYS A 763 -2.268 1.060 -7.066 1.00 33.33 H new ATOM 0 HA LYS A 763 -0.625 3.056 -8.456 1.00 12.14 H new ATOM 0 HB2 LYS A 763 -1.702 1.355 -9.797 1.00 32.32 H new ATOM 0 HB3 LYS A 763 -3.250 1.654 -9.032 1.00 32.32 H new ATOM 0 HG2 LYS A 763 -3.272 3.950 -10.018 1.00 51.30 H new ATOM 0 HG3 LYS A 763 -1.752 3.606 -10.818 1.00 51.30 H new ATOM 0 HD2 LYS A 763 -2.787 1.722 -12.034 1.00 31.04 H new ATOM 0 HD3 LYS A 763 -4.300 1.984 -11.191 1.00 31.04 H new ATOM 0 HE2 LYS A 763 -2.957 4.008 -13.020 1.00 52.52 H new ATOM 0 HE3 LYS A 763 -4.272 2.950 -13.492 1.00 52.52 H new ATOM 0 HZ1 LYS A 763 -5.375 4.856 -12.919 1.00 3.00 H new ATOM 0 HZ2 LYS A 763 -5.455 4.008 -11.451 1.00 3.00 H new ATOM 0 HZ3 LYS A 763 -4.312 5.248 -11.654 1.00 3.00 H new ATOM 898 N VAL A 764 -1.671 4.988 -7.309 1.00 73.11 N ATOM 899 CA VAL A 764 -2.294 6.182 -6.775 1.00 23.13 C ATOM 900 C VAL A 764 -2.311 7.257 -7.843 1.00 3.04 C ATOM 901 O VAL A 764 -1.284 7.866 -8.152 1.00 35.10 O ATOM 902 CB VAL A 764 -1.571 6.689 -5.510 1.00 33.20 C ATOM 903 CG1 VAL A 764 -2.247 7.935 -4.957 1.00 34.32 C ATOM 904 CG2 VAL A 764 -1.527 5.590 -4.457 1.00 43.12 C ATOM 0 H VAL A 764 -0.662 5.059 -7.440 1.00 73.11 H new ATOM 0 HA VAL A 764 -3.315 5.936 -6.483 1.00 23.13 H new ATOM 0 HB VAL A 764 -0.550 6.956 -5.781 1.00 33.20 H new ATOM 0 HG11 VAL A 764 -1.717 8.271 -4.066 1.00 34.32 H new ATOM 0 HG12 VAL A 764 -2.228 8.723 -5.709 1.00 34.32 H new ATOM 0 HG13 VAL A 764 -3.281 7.704 -4.699 1.00 34.32 H new ATOM 0 HG21 VAL A 764 -1.015 5.958 -3.568 1.00 43.12 H new ATOM 0 HG22 VAL A 764 -2.543 5.297 -4.195 1.00 43.12 H new ATOM 0 HG23 VAL A 764 -0.991 4.727 -4.853 1.00 43.12 H new ATOM 914 N GLY A 765 -3.478 7.456 -8.430 1.00 0.54 N ATOM 915 CA GLY A 765 -3.586 8.346 -9.560 1.00 42.13 C ATOM 916 C GLY A 765 -2.938 7.738 -10.782 1.00 31.54 C ATOM 917 O GLY A 765 -3.358 6.678 -11.252 1.00 53.14 O ATOM 0 H GLY A 765 -4.352 7.016 -8.143 1.00 0.54 H new ATOM 0 HA2 GLY A 765 -4.636 8.556 -9.765 1.00 42.13 H new ATOM 0 HA3 GLY A 765 -3.111 9.298 -9.326 1.00 42.13 H new ATOM 921 N GLY A 766 -1.901 8.387 -11.281 1.00 35.31 N ATOM 922 CA GLY A 766 -1.168 7.850 -12.405 1.00 13.52 C ATOM 923 C GLY A 766 0.215 7.378 -12.009 1.00 65.12 C ATOM 924 O GLY A 766 1.073 7.167 -12.868 1.00 43.33 O ATOM 0 H GLY A 766 -1.553 9.278 -10.927 1.00 35.31 H new ATOM 0 HA2 GLY A 766 -1.725 7.018 -12.837 1.00 13.52 H new ATOM 0 HA3 GLY A 766 -1.083 8.612 -13.179 1.00 13.52 H new ATOM 928 N ARG A 767 0.437 7.214 -10.709 1.00 43.23 N ATOM 929 CA ARG A 767 1.735 6.787 -10.207 1.00 11.13 C ATOM 930 C ARG A 767 1.619 5.422 -9.542 1.00 63.14 C ATOM 931 O ARG A 767 0.768 5.211 -8.678 1.00 74.04 O ATOM 932 CB ARG A 767 2.287 7.821 -9.219 1.00 62.04 C ATOM 933 CG ARG A 767 3.809 7.943 -9.240 1.00 2.12 C ATOM 934 CD ARG A 767 4.481 6.770 -8.547 1.00 51.14 C ATOM 935 NE ARG A 767 5.925 6.724 -8.789 1.00 53.42 N ATOM 936 CZ ARG A 767 6.846 7.172 -7.933 1.00 53.42 C ATOM 937 NH1 ARG A 767 6.478 7.807 -6.824 1.00 53.40 N ATOM 938 NH2 ARG A 767 8.137 7.010 -8.205 1.00 72.31 N ATOM 0 H ARG A 767 -0.265 7.370 -9.986 1.00 43.23 H new ATOM 0 HA ARG A 767 2.427 6.706 -11.045 1.00 11.13 H new ATOM 0 HB2 ARG A 767 1.851 8.794 -9.445 1.00 62.04 H new ATOM 0 HB3 ARG A 767 1.967 7.554 -8.212 1.00 62.04 H new ATOM 0 HG2 ARG A 767 4.154 8.001 -10.272 1.00 2.12 H new ATOM 0 HG3 ARG A 767 4.106 8.871 -8.752 1.00 2.12 H new ATOM 0 HD2 ARG A 767 4.298 6.833 -7.474 1.00 51.14 H new ATOM 0 HD3 ARG A 767 4.029 5.841 -8.893 1.00 51.14 H new ATOM 0 HE ARG A 767 6.248 6.323 -9.670 1.00 53.42 H new ATOM 0 HH11 ARG A 767 5.488 7.953 -6.625 1.00 53.40 H new ATOM 0 HH12 ARG A 767 7.185 8.148 -6.173 1.00 53.40 H new ATOM 0 HH21 ARG A 767 8.422 6.544 -9.066 1.00 72.31 H new ATOM 0 HH22 ARG A 767 8.842 7.352 -7.552 1.00 72.31 H new ATOM 952 N TRP A 768 2.474 4.500 -9.954 1.00 64.14 N ATOM 953 CA TRP A 768 2.466 3.145 -9.420 1.00 12.22 C ATOM 954 C TRP A 768 3.520 3.009 -8.324 1.00 30.21 C ATOM 955 O TRP A 768 4.711 2.908 -8.619 1.00 15.12 O ATOM 956 CB TRP A 768 2.763 2.136 -10.535 1.00 64.25 C ATOM 957 CG TRP A 768 1.893 2.276 -11.747 1.00 20.41 C ATOM 958 CD1 TRP A 768 2.033 3.188 -12.755 1.00 65.25 C ATOM 959 CD2 TRP A 768 0.763 1.468 -12.094 1.00 73.54 C ATOM 960 NE1 TRP A 768 1.055 3.005 -13.698 1.00 51.45 N ATOM 961 CE2 TRP A 768 0.264 1.953 -13.318 1.00 20.43 C ATOM 962 CE3 TRP A 768 0.124 0.383 -11.489 1.00 22.42 C ATOM 963 CZ2 TRP A 768 -0.842 1.390 -13.947 1.00 13.42 C ATOM 964 CZ3 TRP A 768 -0.976 -0.173 -12.115 1.00 11.23 C ATOM 965 CH2 TRP A 768 -1.448 0.330 -13.332 1.00 32.21 C ATOM 0 H TRP A 768 3.189 4.666 -10.663 1.00 64.14 H new ATOM 0 HA TRP A 768 1.480 2.942 -9.003 1.00 12.22 H new ATOM 0 HB2 TRP A 768 3.805 2.243 -10.837 1.00 64.25 H new ATOM 0 HB3 TRP A 768 2.649 1.128 -10.136 1.00 64.25 H new ATOM 0 HD1 TRP A 768 2.803 3.944 -12.802 1.00 65.25 H new ATOM 0 HE1 TRP A 768 0.936 3.561 -14.545 1.00 51.45 H new ATOM 0 HE3 TRP A 768 0.482 -0.014 -10.551 1.00 22.42 H new ATOM 0 HZ2 TRP A 768 -1.208 1.776 -14.887 1.00 13.42 H new ATOM 0 HZ3 TRP A 768 -1.480 -1.011 -11.656 1.00 11.23 H new ATOM 0 HH2 TRP A 768 -2.309 -0.129 -13.795 1.00 32.21 H new ATOM 976 N PHE A 769 3.096 3.012 -7.066 1.00 73.32 N ATOM 977 CA PHE A 769 4.036 2.924 -5.955 1.00 54.41 C ATOM 978 C PHE A 769 3.326 2.508 -4.667 1.00 43.54 C ATOM 979 O PHE A 769 2.243 3.000 -4.357 1.00 31.14 O ATOM 980 CB PHE A 769 4.747 4.268 -5.742 1.00 32.32 C ATOM 981 CG PHE A 769 3.893 5.313 -5.077 1.00 14.52 C ATOM 982 CD1 PHE A 769 2.894 5.971 -5.777 1.00 31.42 C ATOM 983 CD2 PHE A 769 4.086 5.625 -3.743 1.00 21.43 C ATOM 984 CE1 PHE A 769 2.108 6.924 -5.162 1.00 23.41 C ATOM 985 CE2 PHE A 769 3.304 6.576 -3.120 1.00 45.32 C ATOM 986 CZ PHE A 769 2.312 7.227 -3.829 1.00 5.40 C ATOM 0 H PHE A 769 2.116 3.074 -6.791 1.00 73.32 H new ATOM 0 HA PHE A 769 4.776 2.164 -6.206 1.00 54.41 H new ATOM 0 HB2 PHE A 769 5.639 4.104 -5.137 1.00 32.32 H new ATOM 0 HB3 PHE A 769 5.082 4.647 -6.707 1.00 32.32 H new ATOM 0 HD1 PHE A 769 2.728 5.735 -6.818 1.00 31.42 H new ATOM 0 HD2 PHE A 769 4.858 5.118 -3.183 1.00 21.43 H new ATOM 0 HE1 PHE A 769 1.336 7.432 -5.721 1.00 23.41 H new ATOM 0 HE2 PHE A 769 3.467 6.812 -2.079 1.00 45.32 H new ATOM 0 HZ PHE A 769 1.698 7.970 -3.343 1.00 5.40 H new ATOM 996 N PRO A 770 3.922 1.591 -3.906 1.00 50.24 N ATOM 997 CA PRO A 770 5.132 0.892 -4.289 1.00 21.43 C ATOM 998 C PRO A 770 4.824 -0.498 -4.843 1.00 0.10 C ATOM 999 O PRO A 770 3.659 -0.883 -4.955 1.00 31.21 O ATOM 1000 CB PRO A 770 5.856 0.782 -2.953 1.00 23.14 C ATOM 1001 CG PRO A 770 4.759 0.636 -1.940 1.00 31.23 C ATOM 1002 CD PRO A 770 3.492 1.184 -2.566 1.00 61.45 C ATOM 0 HA PRO A 770 5.698 1.395 -5.073 1.00 21.43 H new ATOM 0 HB2 PRO A 770 6.528 -0.076 -2.936 1.00 23.14 H new ATOM 0 HB3 PRO A 770 6.462 1.666 -2.756 1.00 23.14 H new ATOM 0 HG2 PRO A 770 4.629 -0.410 -1.662 1.00 31.23 H new ATOM 0 HG3 PRO A 770 5.003 1.180 -1.028 1.00 31.23 H new ATOM 0 HD2 PRO A 770 2.706 0.430 -2.608 1.00 61.45 H new ATOM 0 HD3 PRO A 770 3.095 2.026 -1.999 1.00 61.45 H new ATOM 1010 N ALA A 771 5.860 -1.247 -5.185 1.00 1.23 N ATOM 1011 CA ALA A 771 5.695 -2.623 -5.621 1.00 35.40 C ATOM 1012 C ALA A 771 6.262 -3.570 -4.574 1.00 3.34 C ATOM 1013 O ALA A 771 7.478 -3.667 -4.402 1.00 61.41 O ATOM 1014 CB ALA A 771 6.364 -2.846 -6.967 1.00 75.45 C ATOM 0 H ALA A 771 6.827 -0.923 -5.169 1.00 1.23 H new ATOM 0 HA ALA A 771 4.631 -2.827 -5.739 1.00 35.40 H new ATOM 0 HB1 ALA A 771 6.228 -3.883 -7.274 1.00 75.45 H new ATOM 0 HB2 ALA A 771 5.916 -2.186 -7.710 1.00 75.45 H new ATOM 0 HB3 ALA A 771 7.429 -2.629 -6.884 1.00 75.45 H new ATOM 1020 N VAL A 772 5.380 -4.250 -3.864 1.00 20.13 N ATOM 1021 CA VAL A 772 5.789 -5.137 -2.785 1.00 34.43 C ATOM 1022 C VAL A 772 5.353 -6.565 -3.070 1.00 2.05 C ATOM 1023 O VAL A 772 4.516 -6.804 -3.936 1.00 33.41 O ATOM 1024 CB VAL A 772 5.199 -4.696 -1.427 1.00 32.55 C ATOM 1025 CG1 VAL A 772 5.673 -3.299 -1.055 1.00 4.01 C ATOM 1026 CG2 VAL A 772 3.679 -4.760 -1.461 1.00 74.55 C ATOM 0 H VAL A 772 4.372 -4.206 -4.014 1.00 20.13 H new ATOM 0 HA VAL A 772 6.876 -5.086 -2.728 1.00 34.43 H new ATOM 0 HB VAL A 772 5.555 -5.385 -0.661 1.00 32.55 H new ATOM 0 HG11 VAL A 772 5.243 -3.013 -0.095 1.00 4.01 H new ATOM 0 HG12 VAL A 772 6.761 -3.291 -0.983 1.00 4.01 H new ATOM 0 HG13 VAL A 772 5.355 -2.591 -1.820 1.00 4.01 H new ATOM 0 HG21 VAL A 772 3.280 -4.446 -0.496 1.00 74.55 H new ATOM 0 HG22 VAL A 772 3.304 -4.098 -2.242 1.00 74.55 H new ATOM 0 HG23 VAL A 772 3.362 -5.782 -1.669 1.00 74.55 H new ATOM 1036 N CYS A 773 5.917 -7.507 -2.339 1.00 72.02 N ATOM 1037 CA CYS A 773 5.552 -8.903 -2.483 1.00 43.20 C ATOM 1038 C CYS A 773 5.405 -9.554 -1.114 1.00 50.32 C ATOM 1039 O CYS A 773 6.323 -9.517 -0.296 1.00 22.25 O ATOM 1040 CB CYS A 773 6.596 -9.641 -3.324 1.00 52.03 C ATOM 1041 SG CYS A 773 8.302 -9.356 -2.801 1.00 2.55 S ATOM 0 H CYS A 773 6.634 -7.329 -1.635 1.00 72.02 H new ATOM 0 HA CYS A 773 4.593 -8.964 -2.997 1.00 43.20 H new ATOM 0 HB2 CYS A 773 6.389 -10.710 -3.284 1.00 52.03 H new ATOM 0 HB3 CYS A 773 6.491 -9.335 -4.365 1.00 52.03 H new ATOM 0 HG CYS A 773 8.348 -9.255 -1.506 1.00 2.55 H new ATOM 1047 N ALA A 774 4.243 -10.133 -0.863 1.00 12.42 N ATOM 1048 CA ALA A 774 3.975 -10.780 0.410 1.00 13.32 C ATOM 1049 C ALA A 774 3.430 -12.181 0.182 1.00 3.45 C ATOM 1050 O ALA A 774 2.801 -12.447 -0.842 1.00 14.23 O ATOM 1051 CB ALA A 774 2.999 -9.955 1.232 1.00 31.54 C ATOM 0 H ALA A 774 3.468 -10.168 -1.526 1.00 12.42 H new ATOM 0 HA ALA A 774 4.910 -10.857 0.966 1.00 13.32 H new ATOM 0 HB1 ALA A 774 2.810 -10.455 2.182 1.00 31.54 H new ATOM 0 HB2 ALA A 774 3.424 -8.969 1.419 1.00 31.54 H new ATOM 0 HB3 ALA A 774 2.062 -9.849 0.685 1.00 31.54 H new ATOM 1057 N HIS A 775 3.659 -13.072 1.141 1.00 33.24 N ATOM 1058 CA HIS A 775 3.249 -14.474 1.006 1.00 60.24 C ATOM 1059 C HIS A 775 1.754 -14.653 1.267 1.00 21.54 C ATOM 1060 O HIS A 775 1.283 -15.766 1.505 1.00 23.33 O ATOM 1061 CB HIS A 775 4.060 -15.379 1.947 1.00 32.34 C ATOM 1062 CG HIS A 775 3.831 -15.123 3.412 1.00 52.42 C ATOM 1063 ND1 HIS A 775 3.046 -15.932 4.205 1.00 64.33 N ATOM 1064 CD2 HIS A 775 4.299 -14.149 4.226 1.00 1.24 C ATOM 1065 CE1 HIS A 775 3.045 -15.466 5.439 1.00 2.22 C ATOM 1066 NE2 HIS A 775 3.796 -14.387 5.479 1.00 52.31 N ATOM 0 H HIS A 775 4.126 -12.853 2.021 1.00 33.24 H new ATOM 0 HA HIS A 775 3.450 -14.768 -0.024 1.00 60.24 H new ATOM 0 HB2 HIS A 775 3.815 -16.419 1.730 1.00 32.34 H new ATOM 0 HB3 HIS A 775 5.120 -15.249 1.730 1.00 32.34 H new ATOM 0 HD2 HIS A 775 4.949 -13.335 3.941 1.00 1.24 H new ATOM 0 HE1 HIS A 775 2.516 -15.898 6.276 1.00 2.22 H new ATOM 0 HE2 HIS A 775 3.975 -13.820 6.307 1.00 52.31 H new ATOM 1075 N SER A 776 1.013 -13.562 1.211 1.00 3.31 N ATOM 1076 CA SER A 776 -0.422 -13.597 1.386 1.00 24.14 C ATOM 1077 C SER A 776 -1.053 -12.423 0.647 1.00 3.22 C ATOM 1078 O SER A 776 -0.510 -11.314 0.658 1.00 45.14 O ATOM 1079 CB SER A 776 -0.772 -13.550 2.877 1.00 40.42 C ATOM 1080 OG SER A 776 -2.148 -13.807 3.094 1.00 23.43 O ATOM 0 H SER A 776 1.391 -12.629 1.043 1.00 3.31 H new ATOM 0 HA SER A 776 -0.816 -14.526 0.973 1.00 24.14 H new ATOM 0 HB2 SER A 776 -0.174 -14.285 3.416 1.00 40.42 H new ATOM 0 HB3 SER A 776 -0.515 -12.571 3.282 1.00 40.42 H new ATOM 0 HG SER A 776 -2.340 -13.772 4.054 1.00 23.43 H new ATOM 1086 N LYS A 777 -2.187 -12.670 0.004 1.00 31.44 N ATOM 1087 CA LYS A 777 -2.870 -11.654 -0.788 1.00 10.21 C ATOM 1088 C LYS A 777 -3.277 -10.462 0.078 1.00 63.34 C ATOM 1089 O LYS A 777 -3.147 -9.308 -0.339 1.00 64.24 O ATOM 1090 CB LYS A 777 -4.087 -12.281 -1.482 1.00 12.13 C ATOM 1091 CG LYS A 777 -5.036 -11.290 -2.134 1.00 63.25 C ATOM 1092 CD LYS A 777 -6.283 -11.088 -1.290 1.00 24.44 C ATOM 1093 CE LYS A 777 -7.286 -10.177 -1.976 1.00 3.32 C ATOM 1094 NZ LYS A 777 -8.577 -10.141 -1.242 1.00 32.05 N ATOM 0 H LYS A 777 -2.658 -13.575 0.016 1.00 31.44 H new ATOM 0 HA LYS A 777 -2.186 -11.277 -1.549 1.00 10.21 H new ATOM 0 HB2 LYS A 777 -3.734 -12.977 -2.243 1.00 12.13 H new ATOM 0 HB3 LYS A 777 -4.643 -12.865 -0.749 1.00 12.13 H new ATOM 0 HG2 LYS A 777 -4.529 -10.335 -2.274 1.00 63.25 H new ATOM 0 HG3 LYS A 777 -5.318 -11.649 -3.124 1.00 63.25 H new ATOM 0 HD2 LYS A 777 -6.747 -12.054 -1.090 1.00 24.44 H new ATOM 0 HD3 LYS A 777 -6.005 -10.662 -0.326 1.00 24.44 H new ATOM 0 HE2 LYS A 777 -6.877 -9.169 -2.045 1.00 3.32 H new ATOM 0 HE3 LYS A 777 -7.455 -10.522 -2.996 1.00 3.32 H new ATOM 0 HZ1 LYS A 777 -9.240 -9.510 -1.736 1.00 32.05 H new ATOM 0 HZ2 LYS A 777 -8.978 -11.099 -1.198 1.00 32.05 H new ATOM 0 HZ3 LYS A 777 -8.418 -9.788 -0.277 1.00 32.05 H new ATOM 1108 N LYS A 778 -3.750 -10.741 1.286 1.00 41.12 N ATOM 1109 CA LYS A 778 -4.153 -9.684 2.203 1.00 21.40 C ATOM 1110 C LYS A 778 -2.939 -8.880 2.659 1.00 12.43 C ATOM 1111 O LYS A 778 -3.012 -7.661 2.817 1.00 52.23 O ATOM 1112 CB LYS A 778 -4.863 -10.272 3.422 1.00 54.30 C ATOM 1113 CG LYS A 778 -5.467 -9.217 4.333 1.00 1.13 C ATOM 1114 CD LYS A 778 -5.986 -9.819 5.624 1.00 45.14 C ATOM 1115 CE LYS A 778 -6.736 -8.788 6.451 1.00 22.03 C ATOM 1116 NZ LYS A 778 -7.976 -8.330 5.770 1.00 60.10 N ATOM 0 H LYS A 778 -3.863 -11.686 1.652 1.00 41.12 H new ATOM 0 HA LYS A 778 -4.841 -9.024 1.675 1.00 21.40 H new ATOM 0 HB2 LYS A 778 -5.651 -10.945 3.085 1.00 54.30 H new ATOM 0 HB3 LYS A 778 -4.154 -10.872 3.993 1.00 54.30 H new ATOM 0 HG2 LYS A 778 -4.716 -8.460 4.561 1.00 1.13 H new ATOM 0 HG3 LYS A 778 -6.282 -8.712 3.814 1.00 1.13 H new ATOM 0 HD2 LYS A 778 -6.646 -10.657 5.398 1.00 45.14 H new ATOM 0 HD3 LYS A 778 -5.153 -10.217 6.203 1.00 45.14 H new ATOM 0 HE2 LYS A 778 -6.991 -9.215 7.421 1.00 22.03 H new ATOM 0 HE3 LYS A 778 -6.088 -7.932 6.640 1.00 22.03 H new ATOM 0 HZ1 LYS A 778 -8.606 -7.878 6.463 1.00 60.10 H new ATOM 0 HZ2 LYS A 778 -7.731 -7.645 5.027 1.00 60.10 H new ATOM 0 HZ3 LYS A 778 -8.459 -9.146 5.343 1.00 60.10 H new ATOM 1130 N GLN A 779 -1.823 -9.569 2.859 1.00 35.23 N ATOM 1131 CA GLN A 779 -0.601 -8.922 3.324 1.00 51.20 C ATOM 1132 C GLN A 779 -0.013 -8.036 2.236 1.00 35.41 C ATOM 1133 O GLN A 779 0.497 -6.960 2.522 1.00 34.41 O ATOM 1134 CB GLN A 779 0.427 -9.961 3.772 1.00 52.21 C ATOM 1135 CG GLN A 779 -0.023 -10.785 4.965 1.00 73.34 C ATOM 1136 CD GLN A 779 1.003 -11.819 5.380 1.00 5.34 C ATOM 1137 OE1 GLN A 779 1.770 -12.314 4.554 1.00 1.44 O ATOM 1138 NE2 GLN A 779 1.013 -12.163 6.657 1.00 51.41 N ATOM 0 H GLN A 779 -1.738 -10.574 2.707 1.00 35.23 H new ATOM 0 HA GLN A 779 -0.857 -8.297 4.180 1.00 51.20 H new ATOM 0 HB2 GLN A 779 0.642 -10.630 2.939 1.00 52.21 H new ATOM 0 HB3 GLN A 779 1.359 -9.454 4.022 1.00 52.21 H new ATOM 0 HG2 GLN A 779 -0.224 -10.121 5.805 1.00 73.34 H new ATOM 0 HG3 GLN A 779 -0.960 -11.286 4.723 1.00 73.34 H new ATOM 0 HE21 GLN A 779 0.359 -11.727 7.308 1.00 51.41 H new ATOM 0 HE22 GLN A 779 1.674 -12.864 6.991 1.00 51.41 H new ATOM 1147 N GLY A 780 -0.105 -8.490 0.989 1.00 72.11 N ATOM 1148 CA GLY A 780 0.408 -7.715 -0.129 1.00 64.01 C ATOM 1149 C GLY A 780 -0.221 -6.340 -0.211 1.00 54.32 C ATOM 1150 O GLY A 780 0.463 -5.347 -0.454 1.00 74.44 O ATOM 0 H GLY A 780 -0.526 -9.383 0.732 1.00 72.11 H new ATOM 0 HA2 GLY A 780 1.489 -7.613 -0.032 1.00 64.01 H new ATOM 0 HA3 GLY A 780 0.221 -8.254 -1.058 1.00 64.01 H new ATOM 1154 N LYS A 781 -1.530 -6.286 0.011 1.00 71.02 N ATOM 1155 CA LYS A 781 -2.261 -5.023 0.014 1.00 64.23 C ATOM 1156 C LYS A 781 -1.777 -4.124 1.150 1.00 25.11 C ATOM 1157 O LYS A 781 -1.548 -2.929 0.959 1.00 44.13 O ATOM 1158 CB LYS A 781 -3.760 -5.290 0.167 1.00 72.45 C ATOM 1159 CG LYS A 781 -4.342 -6.158 -0.936 1.00 43.34 C ATOM 1160 CD LYS A 781 -5.754 -6.619 -0.601 1.00 60.14 C ATOM 1161 CE LYS A 781 -6.727 -5.454 -0.491 1.00 72.23 C ATOM 1162 NZ LYS A 781 -6.874 -4.721 -1.775 1.00 1.32 N ATOM 0 H LYS A 781 -2.109 -7.106 0.192 1.00 71.02 H new ATOM 0 HA LYS A 781 -2.079 -4.515 -0.933 1.00 64.23 H new ATOM 0 HB2 LYS A 781 -3.938 -5.772 1.128 1.00 72.45 H new ATOM 0 HB3 LYS A 781 -4.290 -4.337 0.185 1.00 72.45 H new ATOM 0 HG2 LYS A 781 -4.354 -5.599 -1.872 1.00 43.34 H new ATOM 0 HG3 LYS A 781 -3.702 -7.027 -1.092 1.00 43.34 H new ATOM 0 HD2 LYS A 781 -6.101 -7.309 -1.370 1.00 60.14 H new ATOM 0 HD3 LYS A 781 -5.741 -7.170 0.339 1.00 60.14 H new ATOM 0 HE2 LYS A 781 -7.701 -5.826 -0.173 1.00 72.23 H new ATOM 0 HE3 LYS A 781 -6.381 -4.766 0.280 1.00 72.23 H new ATOM 0 HZ1 LYS A 781 -7.675 -4.061 -1.708 1.00 1.32 H new ATOM 0 HZ2 LYS A 781 -6.003 -4.189 -1.973 1.00 1.32 H new ATOM 0 HZ3 LYS A 781 -7.047 -5.399 -2.544 1.00 1.32 H new ATOM 1176 N GLN A 782 -1.607 -4.716 2.324 1.00 34.15 N ATOM 1177 CA GLN A 782 -1.192 -3.977 3.508 1.00 11.23 C ATOM 1178 C GLN A 782 0.256 -3.506 3.390 1.00 4.40 C ATOM 1179 O GLN A 782 0.577 -2.380 3.763 1.00 33.41 O ATOM 1180 CB GLN A 782 -1.370 -4.843 4.752 1.00 1.40 C ATOM 1181 CG GLN A 782 -2.819 -5.202 5.034 1.00 51.04 C ATOM 1182 CD GLN A 782 -2.966 -6.172 6.185 1.00 2.32 C ATOM 1183 OE1 GLN A 782 -2.969 -7.455 5.876 1.00 50.44 O flip ATOM 1184 NE2 GLN A 782 -3.082 -5.771 7.342 1.00 74.44 N flip ATOM 0 H GLN A 782 -1.751 -5.713 2.482 1.00 34.15 H new ATOM 0 HA GLN A 782 -1.823 -3.092 3.595 1.00 11.23 H new ATOM 0 HB2 GLN A 782 -0.793 -5.760 4.633 1.00 1.40 H new ATOM 0 HB3 GLN A 782 -0.959 -4.317 5.614 1.00 1.40 H new ATOM 0 HG2 GLN A 782 -3.378 -4.293 5.257 1.00 51.04 H new ATOM 0 HG3 GLN A 782 -3.262 -5.637 4.138 1.00 51.04 H new ATOM 0 HE21 GLN A 782 -3.075 -4.770 7.538 1.00 74.44 H new ATOM 0 HE22 GLN A 782 -3.185 -6.439 8.105 1.00 74.44 H new ATOM 1193 N GLU A 783 1.122 -4.369 2.869 1.00 21.15 N ATOM 1194 CA GLU A 783 2.522 -4.018 2.654 1.00 63.11 C ATOM 1195 C GLU A 783 2.645 -2.852 1.683 1.00 62.43 C ATOM 1196 O GLU A 783 3.436 -1.932 1.899 1.00 2.22 O ATOM 1197 CB GLU A 783 3.306 -5.219 2.120 1.00 73.13 C ATOM 1198 CG GLU A 783 3.545 -6.309 3.151 1.00 45.00 C ATOM 1199 CD GLU A 783 4.369 -5.821 4.323 1.00 44.43 C ATOM 1200 OE1 GLU A 783 5.526 -5.406 4.107 1.00 23.02 O ATOM 1201 OE2 GLU A 783 3.868 -5.861 5.464 1.00 54.32 O ATOM 0 H GLU A 783 0.879 -5.319 2.587 1.00 21.15 H new ATOM 0 HA GLU A 783 2.941 -3.721 3.615 1.00 63.11 H new ATOM 0 HB2 GLU A 783 2.766 -5.645 1.274 1.00 73.13 H new ATOM 0 HB3 GLU A 783 4.268 -4.873 1.742 1.00 73.13 H new ATOM 0 HG2 GLU A 783 2.586 -6.680 3.513 1.00 45.00 H new ATOM 0 HG3 GLU A 783 4.053 -7.149 2.677 1.00 45.00 H new ATOM 1208 N ALA A 784 1.851 -2.900 0.618 1.00 2.13 N ATOM 1209 CA ALA A 784 1.847 -1.841 -0.379 1.00 35.53 C ATOM 1210 C ALA A 784 1.398 -0.524 0.239 1.00 20.14 C ATOM 1211 O ALA A 784 2.073 0.493 0.102 1.00 40.34 O ATOM 1212 CB ALA A 784 0.949 -2.211 -1.550 1.00 70.50 C ATOM 0 H ALA A 784 1.202 -3.663 0.425 1.00 2.13 H new ATOM 0 HA ALA A 784 2.865 -1.718 -0.750 1.00 35.53 H new ATOM 0 HB1 ALA A 784 0.959 -1.406 -2.285 1.00 70.50 H new ATOM 0 HB2 ALA A 784 1.313 -3.129 -2.012 1.00 70.50 H new ATOM 0 HB3 ALA A 784 -0.070 -2.363 -1.193 1.00 70.50 H new ATOM 1218 N ALA A 785 0.275 -0.558 0.942 1.00 13.25 N ATOM 1219 CA ALA A 785 -0.275 0.635 1.563 1.00 61.21 C ATOM 1220 C ALA A 785 0.676 1.193 2.616 1.00 70.01 C ATOM 1221 O ALA A 785 0.844 2.407 2.730 1.00 35.12 O ATOM 1222 CB ALA A 785 -1.628 0.329 2.177 1.00 74.31 C ATOM 0 H ALA A 785 -0.274 -1.404 1.096 1.00 13.25 H new ATOM 0 HA ALA A 785 -0.403 1.394 0.791 1.00 61.21 H new ATOM 0 HB1 ALA A 785 -2.030 1.231 2.639 1.00 74.31 H new ATOM 0 HB2 ALA A 785 -2.310 -0.016 1.400 1.00 74.31 H new ATOM 0 HB3 ALA A 785 -1.517 -0.448 2.933 1.00 74.31 H new ATOM 1228 N ASP A 786 1.300 0.299 3.375 1.00 35.14 N ATOM 1229 CA ASP A 786 2.253 0.694 4.410 1.00 13.12 C ATOM 1230 C ASP A 786 3.418 1.454 3.797 1.00 60.54 C ATOM 1231 O ASP A 786 3.680 2.603 4.154 1.00 54.31 O ATOM 1232 CB ASP A 786 2.775 -0.536 5.157 1.00 15.35 C ATOM 1233 CG ASP A 786 3.744 -0.185 6.272 1.00 21.24 C ATOM 1234 OD1 ASP A 786 4.936 0.053 5.980 1.00 2.02 O ATOM 1235 OD2 ASP A 786 3.321 -0.170 7.449 1.00 22.44 O ATOM 0 H ASP A 786 1.163 -0.709 3.294 1.00 35.14 H new ATOM 0 HA ASP A 786 1.737 1.344 5.117 1.00 13.12 H new ATOM 0 HB2 ASP A 786 1.932 -1.085 5.575 1.00 15.35 H new ATOM 0 HB3 ASP A 786 3.269 -1.202 4.449 1.00 15.35 H new ATOM 1240 N ALA A 787 4.094 0.811 2.851 1.00 1.01 N ATOM 1241 CA ALA A 787 5.255 1.401 2.204 1.00 2.45 C ATOM 1242 C ALA A 787 4.873 2.668 1.446 1.00 23.55 C ATOM 1243 O ALA A 787 5.659 3.608 1.360 1.00 63.55 O ATOM 1244 CB ALA A 787 5.917 0.395 1.274 1.00 61.52 C ATOM 0 H ALA A 787 3.855 -0.122 2.516 1.00 1.01 H new ATOM 0 HA ALA A 787 5.971 1.677 2.978 1.00 2.45 H new ATOM 0 HB1 ALA A 787 6.784 0.854 0.799 1.00 61.52 H new ATOM 0 HB2 ALA A 787 6.236 -0.475 1.847 1.00 61.52 H new ATOM 0 HB3 ALA A 787 5.206 0.084 0.509 1.00 61.52 H new ATOM 1250 N ALA A 788 3.654 2.694 0.916 1.00 14.42 N ATOM 1251 CA ALA A 788 3.152 3.863 0.207 1.00 21.22 C ATOM 1252 C ALA A 788 3.083 5.067 1.136 1.00 24.15 C ATOM 1253 O ALA A 788 3.481 6.170 0.761 1.00 43.20 O ATOM 1254 CB ALA A 788 1.787 3.582 -0.399 1.00 10.43 C ATOM 0 H ALA A 788 2.996 1.917 0.965 1.00 14.42 H new ATOM 0 HA ALA A 788 3.846 4.091 -0.602 1.00 21.22 H new ATOM 0 HB1 ALA A 788 1.432 4.469 -0.923 1.00 10.43 H new ATOM 0 HB2 ALA A 788 1.865 2.752 -1.101 1.00 10.43 H new ATOM 0 HB3 ALA A 788 1.084 3.323 0.393 1.00 10.43 H new ATOM 1260 N LEU A 789 2.594 4.853 2.353 1.00 65.52 N ATOM 1261 CA LEU A 789 2.512 5.920 3.336 1.00 13.21 C ATOM 1262 C LEU A 789 3.914 6.395 3.700 1.00 31.15 C ATOM 1263 O LEU A 789 4.141 7.588 3.880 1.00 21.21 O ATOM 1264 CB LEU A 789 1.766 5.454 4.590 1.00 54.21 C ATOM 1265 CG LEU A 789 0.328 4.985 4.356 1.00 13.24 C ATOM 1266 CD1 LEU A 789 -0.331 4.603 5.671 1.00 11.53 C ATOM 1267 CD2 LEU A 789 -0.476 6.064 3.652 1.00 72.21 C ATOM 0 H LEU A 789 2.249 3.950 2.679 1.00 65.52 H new ATOM 0 HA LEU A 789 1.954 6.749 2.901 1.00 13.21 H new ATOM 0 HB2 LEU A 789 2.328 4.638 5.045 1.00 54.21 H new ATOM 0 HB3 LEU A 789 1.752 6.272 5.310 1.00 54.21 H new ATOM 0 HG LEU A 789 0.355 4.103 3.717 1.00 13.24 H new ATOM 0 HD11 LEU A 789 -1.353 4.272 5.483 1.00 11.53 H new ATOM 0 HD12 LEU A 789 0.232 3.795 6.139 1.00 11.53 H new ATOM 0 HD13 LEU A 789 -0.346 5.467 6.335 1.00 11.53 H new ATOM 0 HD21 LEU A 789 -1.496 5.713 3.494 1.00 72.21 H new ATOM 0 HD22 LEU A 789 -0.493 6.964 4.266 1.00 72.21 H new ATOM 0 HD23 LEU A 789 -0.017 6.290 2.690 1.00 72.21 H new ATOM 1279 N ARG A 790 4.856 5.454 3.773 1.00 13.31 N ATOM 1280 CA ARG A 790 6.254 5.783 4.056 1.00 3.32 C ATOM 1281 C ARG A 790 6.791 6.723 2.976 1.00 14.22 C ATOM 1282 O ARG A 790 7.517 7.674 3.267 1.00 74.15 O ATOM 1283 CB ARG A 790 7.121 4.517 4.109 1.00 2.41 C ATOM 1284 CG ARG A 790 6.506 3.367 4.894 1.00 32.30 C ATOM 1285 CD ARG A 790 6.362 3.673 6.377 1.00 41.41 C ATOM 1286 NE ARG A 790 7.633 3.581 7.094 1.00 70.50 N ATOM 1287 CZ ARG A 790 7.752 3.131 8.345 1.00 40.02 C ATOM 1288 NH1 ARG A 790 6.689 2.673 8.996 1.00 51.00 N ATOM 1289 NH2 ARG A 790 8.941 3.116 8.934 1.00 21.15 N ATOM 0 H ARG A 790 4.677 4.459 3.640 1.00 13.31 H new ATOM 0 HA ARG A 790 6.298 6.272 5.029 1.00 3.32 H new ATOM 0 HB2 ARG A 790 7.316 4.182 3.090 1.00 2.41 H new ATOM 0 HB3 ARG A 790 8.084 4.769 4.552 1.00 2.41 H new ATOM 0 HG2 ARG A 790 5.525 3.134 4.479 1.00 32.30 H new ATOM 0 HG3 ARG A 790 7.124 2.478 4.770 1.00 32.30 H new ATOM 0 HD2 ARG A 790 5.951 4.675 6.500 1.00 41.41 H new ATOM 0 HD3 ARG A 790 5.648 2.979 6.820 1.00 41.41 H new ATOM 0 HE ARG A 790 8.480 3.879 6.609 1.00 70.50 H new ATOM 0 HH11 ARG A 790 5.777 2.664 8.540 1.00 51.00 H new ATOM 0 HH12 ARG A 790 6.785 2.330 9.952 1.00 51.00 H new ATOM 0 HH21 ARG A 790 9.764 3.448 8.431 1.00 21.15 H new ATOM 0 HH22 ARG A 790 9.032 2.772 9.890 1.00 21.15 H new ATOM 1303 N VAL A 791 6.416 6.447 1.728 1.00 40.42 N ATOM 1304 CA VAL A 791 6.790 7.296 0.602 1.00 64.21 C ATOM 1305 C VAL A 791 6.209 8.694 0.770 1.00 12.31 C ATOM 1306 O VAL A 791 6.923 9.688 0.673 1.00 55.12 O ATOM 1307 CB VAL A 791 6.294 6.715 -0.744 1.00 75.03 C ATOM 1308 CG1 VAL A 791 6.719 7.596 -1.909 1.00 24.43 C ATOM 1309 CG2 VAL A 791 6.796 5.298 -0.945 1.00 42.41 C ATOM 0 H VAL A 791 5.851 5.637 1.472 1.00 40.42 H new ATOM 0 HA VAL A 791 7.879 7.341 0.588 1.00 64.21 H new ATOM 0 HB VAL A 791 5.205 6.691 -0.710 1.00 75.03 H new ATOM 0 HG11 VAL A 791 6.357 7.164 -2.842 1.00 24.43 H new ATOM 0 HG12 VAL A 791 6.298 8.594 -1.783 1.00 24.43 H new ATOM 0 HG13 VAL A 791 7.807 7.662 -1.937 1.00 24.43 H new ATOM 0 HG21 VAL A 791 6.432 4.915 -1.898 1.00 42.41 H new ATOM 0 HG22 VAL A 791 7.886 5.295 -0.945 1.00 42.41 H new ATOM 0 HG23 VAL A 791 6.431 4.665 -0.137 1.00 42.41 H new ATOM 1319 N LEU A 792 4.911 8.749 1.037 1.00 22.54 N ATOM 1320 CA LEU A 792 4.196 10.016 1.170 1.00 75.50 C ATOM 1321 C LEU A 792 4.777 10.854 2.302 1.00 32.10 C ATOM 1322 O LEU A 792 5.115 12.025 2.113 1.00 22.13 O ATOM 1323 CB LEU A 792 2.714 9.748 1.436 1.00 2.12 C ATOM 1324 CG LEU A 792 2.050 8.784 0.456 1.00 44.10 C ATOM 1325 CD1 LEU A 792 0.606 8.533 0.850 1.00 20.13 C ATOM 1326 CD2 LEU A 792 2.137 9.319 -0.964 1.00 65.01 C ATOM 0 H LEU A 792 4.325 7.924 1.167 1.00 22.54 H new ATOM 0 HA LEU A 792 4.307 10.571 0.239 1.00 75.50 H new ATOM 0 HB2 LEU A 792 2.607 9.349 2.445 1.00 2.12 H new ATOM 0 HB3 LEU A 792 2.178 10.697 1.410 1.00 2.12 H new ATOM 0 HG LEU A 792 2.583 7.834 0.494 1.00 44.10 H new ATOM 0 HD11 LEU A 792 0.150 7.844 0.140 1.00 20.13 H new ATOM 0 HD12 LEU A 792 0.572 8.100 1.850 1.00 20.13 H new ATOM 0 HD13 LEU A 792 0.058 9.475 0.844 1.00 20.13 H new ATOM 0 HD21 LEU A 792 1.658 8.617 -1.647 1.00 65.01 H new ATOM 0 HD22 LEU A 792 1.632 10.283 -1.021 1.00 65.01 H new ATOM 0 HD23 LEU A 792 3.184 9.441 -1.244 1.00 65.01 H new ATOM 1338 N ILE A 793 4.888 10.243 3.472 1.00 75.14 N ATOM 1339 CA ILE A 793 5.436 10.910 4.644 1.00 1.04 C ATOM 1340 C ILE A 793 6.868 11.375 4.382 1.00 70.31 C ATOM 1341 O ILE A 793 7.204 12.535 4.625 1.00 44.44 O ATOM 1342 CB ILE A 793 5.397 9.980 5.877 1.00 12.11 C ATOM 1343 CG1 ILE A 793 3.953 9.543 6.150 1.00 52.05 C ATOM 1344 CG2 ILE A 793 5.981 10.681 7.098 1.00 11.33 C ATOM 1345 CD1 ILE A 793 3.829 8.396 7.127 1.00 21.02 C ATOM 0 H ILE A 793 4.603 9.277 3.636 1.00 75.14 H new ATOM 0 HA ILE A 793 4.817 11.783 4.850 1.00 1.04 H new ATOM 0 HB ILE A 793 6.003 9.098 5.671 1.00 12.11 H new ATOM 0 HG12 ILE A 793 3.393 10.396 6.534 1.00 52.05 H new ATOM 0 HG13 ILE A 793 3.488 9.255 5.207 1.00 52.05 H new ATOM 0 HG21 ILE A 793 5.944 10.009 7.956 1.00 11.33 H new ATOM 0 HG22 ILE A 793 7.016 10.958 6.898 1.00 11.33 H new ATOM 0 HG23 ILE A 793 5.401 11.578 7.315 1.00 11.33 H new ATOM 0 HD11 ILE A 793 2.777 8.148 7.265 1.00 21.02 H new ATOM 0 HD12 ILE A 793 4.358 7.527 6.737 1.00 21.02 H new ATOM 0 HD13 ILE A 793 4.263 8.685 8.084 1.00 21.02 H new ATOM 1357 N GLY A 794 7.691 10.473 3.857 1.00 60.12 N ATOM 1358 CA GLY A 794 9.075 10.801 3.567 1.00 63.42 C ATOM 1359 C GLY A 794 9.213 11.918 2.551 1.00 72.51 C ATOM 1360 O GLY A 794 10.019 12.833 2.732 1.00 11.25 O ATOM 0 H GLY A 794 7.423 9.516 3.626 1.00 60.12 H new ATOM 0 HA2 GLY A 794 9.576 11.092 4.490 1.00 63.42 H new ATOM 0 HA3 GLY A 794 9.584 9.912 3.194 1.00 63.42 H new ATOM 1364 N GLU A 795 8.416 11.846 1.491 1.00 52.31 N ATOM 1365 CA GLU A 795 8.418 12.864 0.448 1.00 14.24 C ATOM 1366 C GLU A 795 8.111 14.231 1.048 1.00 43.30 C ATOM 1367 O GLU A 795 8.735 15.232 0.699 1.00 14.14 O ATOM 1368 CB GLU A 795 7.381 12.511 -0.624 1.00 54.22 C ATOM 1369 CG GLU A 795 7.456 13.371 -1.875 1.00 3.34 C ATOM 1370 CD GLU A 795 8.788 13.248 -2.583 1.00 51.43 C ATOM 1371 OE1 GLU A 795 9.133 12.134 -3.031 1.00 32.40 O ATOM 1372 OE2 GLU A 795 9.497 14.267 -2.702 1.00 51.25 O ATOM 0 H GLU A 795 7.755 11.086 1.331 1.00 52.31 H new ATOM 0 HA GLU A 795 9.405 12.900 -0.012 1.00 14.24 H new ATOM 0 HB2 GLU A 795 7.510 11.466 -0.907 1.00 54.22 H new ATOM 0 HB3 GLU A 795 6.384 12.604 -0.193 1.00 54.22 H new ATOM 0 HG2 GLU A 795 6.657 13.083 -2.558 1.00 3.34 H new ATOM 0 HG3 GLU A 795 7.286 14.414 -1.606 1.00 3.34 H new ATOM 1379 N ASN A 796 7.163 14.255 1.974 1.00 44.44 N ATOM 1380 CA ASN A 796 6.783 15.483 2.661 1.00 24.55 C ATOM 1381 C ASN A 796 7.906 15.986 3.569 1.00 24.23 C ATOM 1382 O ASN A 796 8.215 17.179 3.580 1.00 3.15 O ATOM 1383 CB ASN A 796 5.507 15.254 3.475 1.00 62.51 C ATOM 1384 CG ASN A 796 5.265 16.346 4.498 1.00 23.21 C ATOM 1385 OD1 ASN A 796 5.677 16.100 5.731 1.00 50.04 O flip ATOM 1386 ND2 ASN A 796 4.696 17.390 4.189 1.00 24.32 N flip ATOM 0 H ASN A 796 6.639 13.431 2.269 1.00 44.44 H new ATOM 0 HA ASN A 796 6.597 16.248 1.907 1.00 24.55 H new ATOM 0 HB2 ASN A 796 4.654 15.199 2.799 1.00 62.51 H new ATOM 0 HB3 ASN A 796 5.573 14.292 3.984 1.00 62.51 H new ATOM 0 HD21 ASN A 796 4.394 17.541 3.226 1.00 24.32 H new ATOM 0 HD22 ASN A 796 4.526 18.106 4.895 1.00 24.32 H new ATOM 1393 N GLU A 797 8.515 15.078 4.322 1.00 5.41 N ATOM 1394 CA GLU A 797 9.565 15.445 5.267 1.00 41.40 C ATOM 1395 C GLU A 797 10.769 16.048 4.556 1.00 51.11 C ATOM 1396 O GLU A 797 11.299 17.083 4.966 1.00 45.30 O ATOM 1397 CB GLU A 797 10.022 14.229 6.065 1.00 15.14 C ATOM 1398 CG GLU A 797 8.938 13.604 6.918 1.00 54.04 C ATOM 1399 CD GLU A 797 9.473 12.479 7.773 1.00 1.05 C ATOM 1400 OE1 GLU A 797 9.684 11.368 7.245 1.00 52.12 O ATOM 1401 OE2 GLU A 797 9.714 12.709 8.975 1.00 2.15 O ATOM 0 H GLU A 797 8.300 14.081 4.297 1.00 5.41 H new ATOM 0 HA GLU A 797 9.142 16.190 5.941 1.00 41.40 H new ATOM 0 HB2 GLU A 797 10.404 13.477 5.374 1.00 15.14 H new ATOM 0 HB3 GLU A 797 10.852 14.521 6.708 1.00 15.14 H new ATOM 0 HG2 GLU A 797 8.494 14.367 7.558 1.00 54.04 H new ATOM 0 HG3 GLU A 797 8.143 13.225 6.275 1.00 54.04 H new ATOM 1408 N LYS A 798 11.184 15.401 3.479 1.00 64.51 N ATOM 1409 CA LYS A 798 12.392 15.794 2.768 1.00 44.12 C ATOM 1410 C LYS A 798 12.131 16.966 1.828 1.00 22.43 C ATOM 1411 O LYS A 798 13.043 17.458 1.168 1.00 40.21 O ATOM 1412 CB LYS A 798 12.940 14.599 1.987 1.00 33.13 C ATOM 1413 CG LYS A 798 13.231 13.396 2.867 1.00 64.42 C ATOM 1414 CD LYS A 798 13.657 12.191 2.048 1.00 63.54 C ATOM 1415 CE LYS A 798 13.868 10.973 2.932 1.00 53.40 C ATOM 1416 NZ LYS A 798 14.258 9.776 2.144 1.00 54.32 N ATOM 0 H LYS A 798 10.701 14.598 3.076 1.00 64.51 H new ATOM 0 HA LYS A 798 13.130 16.119 3.502 1.00 44.12 H new ATOM 0 HB2 LYS A 798 12.221 14.314 1.218 1.00 33.13 H new ATOM 0 HB3 LYS A 798 13.855 14.896 1.474 1.00 33.13 H new ATOM 0 HG2 LYS A 798 14.017 13.648 3.579 1.00 64.42 H new ATOM 0 HG3 LYS A 798 12.343 13.146 3.447 1.00 64.42 H new ATOM 0 HD2 LYS A 798 12.898 11.972 1.297 1.00 63.54 H new ATOM 0 HD3 LYS A 798 14.579 12.419 1.513 1.00 63.54 H new ATOM 0 HE2 LYS A 798 14.641 11.189 3.669 1.00 53.40 H new ATOM 0 HE3 LYS A 798 12.952 10.762 3.483 1.00 53.40 H new ATOM 0 HZ1 LYS A 798 14.392 8.967 2.784 1.00 54.32 H new ATOM 0 HZ2 LYS A 798 13.509 9.553 1.457 1.00 54.32 H new ATOM 0 HZ3 LYS A 798 15.146 9.968 1.638 1.00 54.32 H new ATOM 1430 N ALA A 799 10.888 17.423 1.783 1.00 2.01 N ATOM 1431 CA ALA A 799 10.513 18.517 0.899 1.00 14.42 C ATOM 1432 C ALA A 799 10.798 19.872 1.537 1.00 23.10 C ATOM 1433 O ALA A 799 10.931 20.875 0.839 1.00 34.43 O ATOM 1434 CB ALA A 799 9.042 18.413 0.522 1.00 71.32 C ATOM 0 H ALA A 799 10.123 17.054 2.347 1.00 2.01 H new ATOM 0 HA ALA A 799 11.119 18.437 -0.004 1.00 14.42 H new ATOM 0 HB1 ALA A 799 8.777 19.238 -0.139 1.00 71.32 H new ATOM 0 HB2 ALA A 799 8.863 17.467 0.011 1.00 71.32 H new ATOM 0 HB3 ALA A 799 8.431 18.460 1.424 1.00 71.32 H new ATOM 1440 N GLU A 800 10.906 19.905 2.860 1.00 74.40 N ATOM 1441 CA GLU A 800 11.088 21.170 3.562 1.00 53.44 C ATOM 1442 C GLU A 800 12.532 21.366 4.015 1.00 74.55 C ATOM 1443 O GLU A 800 12.840 22.329 4.721 1.00 23.24 O ATOM 1444 CB GLU A 800 10.159 21.261 4.774 1.00 51.51 C ATOM 1445 CG GLU A 800 10.467 20.243 5.858 1.00 42.44 C ATOM 1446 CD GLU A 800 9.847 20.614 7.188 1.00 12.23 C ATOM 1447 OE1 GLU A 800 10.428 21.461 7.899 1.00 24.15 O ATOM 1448 OE2 GLU A 800 8.782 20.065 7.531 1.00 51.23 O ATOM 0 H GLU A 800 10.871 19.082 3.462 1.00 74.40 H new ATOM 0 HA GLU A 800 10.839 21.961 2.855 1.00 53.44 H new ATOM 0 HB2 GLU A 800 10.228 22.263 5.199 1.00 51.51 H new ATOM 0 HB3 GLU A 800 9.130 21.125 4.442 1.00 51.51 H new ATOM 0 HG2 GLU A 800 10.100 19.264 5.549 1.00 42.44 H new ATOM 0 HG3 GLU A 800 11.547 20.156 5.975 1.00 42.44 H new ATOM 1455 N ARG A 801 13.417 20.467 3.617 1.00 30.54 N ATOM 1456 CA ARG A 801 14.812 20.561 4.026 1.00 12.44 C ATOM 1457 C ARG A 801 15.686 21.028 2.861 1.00 73.53 C ATOM 1458 O ARG A 801 16.149 20.188 2.067 1.00 37.15 O ATOM 1459 CB ARG A 801 15.312 19.231 4.619 1.00 51.21 C ATOM 1460 CG ARG A 801 15.227 18.033 3.685 1.00 63.53 C ATOM 1461 CD ARG A 801 15.839 16.797 4.323 1.00 63.45 C ATOM 1462 NE ARG A 801 16.078 15.734 3.349 1.00 23.34 N ATOM 1463 CZ ARG A 801 16.715 14.599 3.630 1.00 20.34 C ATOM 1464 NH1 ARG A 801 17.125 14.346 4.866 1.00 23.50 N ATOM 1465 NH2 ARG A 801 16.937 13.704 2.674 1.00 55.14 N ATOM 1466 OXT ARG A 801 15.890 22.252 2.732 1.00 37.15 O ATOM 0 H ARG A 801 13.200 19.671 3.017 1.00 30.54 H new ATOM 0 HA ARG A 801 14.886 21.309 4.815 1.00 12.44 H new ATOM 0 HB2 ARG A 801 16.349 19.357 4.929 1.00 51.21 H new ATOM 0 HB3 ARG A 801 14.735 19.013 5.518 1.00 51.21 H new ATOM 0 HG2 ARG A 801 14.185 17.838 3.433 1.00 63.53 H new ATOM 0 HG3 ARG A 801 15.744 18.258 2.752 1.00 63.53 H new ATOM 0 HD2 ARG A 801 16.780 17.066 4.803 1.00 63.45 H new ATOM 0 HD3 ARG A 801 15.176 16.428 5.106 1.00 63.45 H new ATOM 0 HE ARG A 801 15.737 15.870 2.397 1.00 23.34 H new ATOM 0 HH11 ARG A 801 16.953 15.023 5.609 1.00 23.50 H new ATOM 0 HH12 ARG A 801 17.612 13.474 5.073 1.00 23.50 H new ATOM 0 HH21 ARG A 801 16.619 13.885 1.722 1.00 55.14 H new ATOM 0 HH22 ARG A 801 17.425 12.835 2.892 1.00 55.14 H new TER 1480 ARG A 801