USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 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 772 SER OG : rot 16:sc= 0.586 USER MOD Set 1.2: A 781 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -1.75 X(o=-2.4,f=-2.8!) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -0.618 K(o=-2.4,f=-3.2) USER MOD Set 3.1: A 737 MET CE :methyl -172:sc= -0.591 (180deg=-0.511) USER MOD Set 3.2: A 784 LYS NZ :NH3+ 172:sc= 1.45 (180deg=1.02) USER MOD Single : A 728 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=-0.082) USER MOD Single : A 732 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 739 SER OG : rot 180:sc= -0.027 USER MOD Single : A 740 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0833) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 164:sc= -0.725 (180deg=-0.981) USER MOD Single : A 743 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0947 USER MOD Single : A 751 ASN : amide:sc=-0.00104 X(o=-0.001,f=-0.001) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.019) USER MOD Single : A 760 GLN : amide:sc= -0.119 K(o=-0.12,f=-4.8!) USER MOD Single : A 765 HIS : no HE2:sc= -0.463 X(o=-0.46,f=-0.24) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.106 6.989 -14.636 1.00 1.00 N ATOM 2 CA GLY A 725 -1.289 5.816 -14.320 1.00 1.00 C ATOM 3 C GLY A 725 -0.553 5.998 -13.006 1.00 1.00 C ATOM 4 O GLY A 725 -0.303 7.123 -12.569 1.00 1.00 O ATOM 0 HA2 GLY A 725 -1.924 4.932 -14.265 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -0.571 5.643 -15.121 1.00 1.00 H new ATOM 8 N VAL A 726 -0.233 4.880 -12.356 1.00 1.00 N ATOM 9 CA VAL A 726 0.381 4.782 -11.029 1.00 1.00 C ATOM 10 C VAL A 726 1.345 3.568 -11.047 1.00 1.00 C ATOM 11 O VAL A 726 1.584 2.899 -10.041 1.00 1.00 O ATOM 12 CB VAL A 726 -0.730 4.699 -9.963 1.00 1.00 C ATOM 13 CG1 VAL A 726 -0.243 5.084 -8.560 1.00 1.00 C ATOM 14 CG2 VAL A 726 -1.976 5.563 -10.229 1.00 1.00 C ATOM 0 H VAL A 726 -0.405 3.962 -12.765 1.00 1.00 H new ATOM 0 HA VAL A 726 0.972 5.661 -10.771 1.00 1.00 H new ATOM 0 HB VAL A 726 -1.008 3.647 -10.024 1.00 1.00 H new ATOM 0 HG11 VAL A 726 -1.070 5.006 -7.854 1.00 1.00 H new ATOM 0 HG12 VAL A 726 0.559 4.411 -8.256 1.00 1.00 H new ATOM 0 HG13 VAL A 726 0.128 6.109 -8.572 1.00 1.00 H new ATOM 0 HG21 VAL A 726 -2.692 5.428 -9.418 1.00 1.00 H new ATOM 0 HG22 VAL A 726 -1.686 6.612 -10.286 1.00 1.00 H new ATOM 0 HG23 VAL A 726 -2.434 5.261 -11.171 1.00 1.00 H new ATOM 24 N ASP A 727 1.894 3.285 -12.231 1.00 1.00 N ATOM 25 CA ASP A 727 2.743 2.153 -12.603 1.00 1.00 C ATOM 26 C ASP A 727 3.900 1.880 -11.638 1.00 1.00 C ATOM 27 O ASP A 727 4.154 0.725 -11.291 1.00 1.00 O ATOM 28 CB ASP A 727 3.243 2.415 -14.031 1.00 1.00 C ATOM 29 CG ASP A 727 3.707 1.176 -14.798 1.00 1.00 C ATOM 30 OD1 ASP A 727 3.276 0.050 -14.467 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.368 1.356 -15.848 1.00 1.00 O ATOM 0 H ASP A 727 1.740 3.902 -13.028 1.00 1.00 H new ATOM 0 HA ASP A 727 2.147 1.242 -12.549 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.443 2.894 -14.596 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.069 3.124 -13.985 1.00 1.00 H new ATOM 36 N HIS A 728 4.562 2.935 -11.151 1.00 1.00 N ATOM 37 CA HIS A 728 5.680 2.837 -10.215 1.00 1.00 C ATOM 38 C HIS A 728 5.266 2.077 -8.952 1.00 1.00 C ATOM 39 O HIS A 728 5.875 1.069 -8.569 1.00 1.00 O ATOM 40 CB HIS A 728 6.175 4.244 -9.845 1.00 1.00 C ATOM 41 CG HIS A 728 6.486 5.124 -11.023 1.00 1.00 C ATOM 42 ND1 HIS A 728 5.745 6.210 -11.433 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.555 5.000 -11.865 1.00 1.00 C ATOM 44 CE1 HIS A 728 6.359 6.741 -12.501 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.464 6.036 -12.807 1.00 1.00 N ATOM 0 H HIS A 728 4.330 3.896 -11.402 1.00 1.00 H new ATOM 0 HA HIS A 728 6.488 2.286 -10.697 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.417 4.733 -9.232 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.070 4.151 -9.231 1.00 1.00 H new ATOM 0 HD2 HIS A 728 8.326 4.245 -11.815 1.00 1.00 H new ATOM 0 HE1 HIS A 728 6.015 7.612 -13.040 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.110 6.219 -13.575 1.00 1.00 H new ATOM 53 N PHE A 729 4.187 2.548 -8.322 1.00 1.00 N ATOM 54 CA PHE A 729 3.652 1.949 -7.115 1.00 1.00 C ATOM 55 C PHE A 729 3.220 0.538 -7.407 1.00 1.00 C ATOM 56 O PHE A 729 3.524 -0.343 -6.618 1.00 1.00 O ATOM 57 CB PHE A 729 2.450 2.725 -6.588 1.00 1.00 C ATOM 58 CG PHE A 729 2.828 4.120 -6.188 1.00 1.00 C ATOM 59 CD1 PHE A 729 2.786 5.164 -7.129 1.00 1.00 C ATOM 60 CD2 PHE A 729 3.324 4.344 -4.894 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.189 6.452 -6.762 1.00 1.00 C ATOM 62 CE2 PHE A 729 3.779 5.622 -4.547 1.00 1.00 C ATOM 63 CZ PHE A 729 3.690 6.679 -5.474 1.00 1.00 C ATOM 0 H PHE A 729 3.663 3.361 -8.644 1.00 1.00 H new ATOM 0 HA PHE A 729 4.437 1.967 -6.359 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.676 2.762 -7.354 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.026 2.202 -5.731 1.00 1.00 H new ATOM 0 HD1 PHE A 729 2.443 4.971 -8.135 1.00 1.00 H new ATOM 0 HD2 PHE A 729 3.354 3.540 -4.174 1.00 1.00 H new ATOM 0 HE1 PHE A 729 3.114 7.266 -7.467 1.00 1.00 H new ATOM 0 HE2 PHE A 729 4.199 5.798 -3.567 1.00 1.00 H new ATOM 0 HZ PHE A 729 4.010 7.671 -5.190 1.00 1.00 H new ATOM 73 N ARG A 730 2.534 0.308 -8.528 1.00 1.00 N ATOM 74 CA ARG A 730 2.113 -1.037 -8.881 1.00 1.00 C ATOM 75 C ARG A 730 3.323 -1.969 -8.886 1.00 1.00 C ATOM 76 O ARG A 730 3.243 -3.015 -8.262 1.00 1.00 O ATOM 77 CB ARG A 730 1.342 -1.005 -10.202 1.00 1.00 C ATOM 78 CG ARG A 730 0.597 -2.318 -10.470 1.00 1.00 C ATOM 79 CD ARG A 730 -0.111 -2.165 -11.813 1.00 1.00 C ATOM 80 NE ARG A 730 -0.915 -3.340 -12.168 1.00 1.00 N ATOM 81 CZ ARG A 730 -1.257 -3.658 -13.423 1.00 1.00 C ATOM 82 NH1 ARG A 730 -0.850 -2.913 -14.441 1.00 1.00 N ATOM 83 NH2 ARG A 730 -2.034 -4.701 -13.679 1.00 1.00 N ATOM 0 H ARG A 730 2.264 1.030 -9.196 1.00 1.00 H new ATOM 0 HA ARG A 730 1.424 -1.438 -8.138 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.628 -0.181 -10.184 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.035 -0.809 -11.020 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.292 -3.157 -10.494 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.122 -2.522 -9.676 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.755 -1.286 -11.781 1.00 1.00 H new ATOM 0 HD3 ARG A 730 0.631 -1.989 -12.592 1.00 1.00 H new ATOM 0 HE ARG A 730 -1.232 -3.950 -11.415 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -0.272 -2.090 -14.272 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -1.115 -3.163 -15.394 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -2.382 -5.278 -12.913 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -2.283 -4.927 -14.642 1.00 1.00 H new ATOM 97 N ALA A 731 4.460 -1.578 -9.472 1.00 1.00 N ATOM 98 CA ALA A 731 5.665 -2.400 -9.443 1.00 1.00 C ATOM 99 C ALA A 731 6.175 -2.623 -8.013 1.00 1.00 C ATOM 100 O ALA A 731 6.610 -3.733 -7.690 1.00 1.00 O ATOM 101 CB ALA A 731 6.754 -1.781 -10.324 1.00 1.00 C ATOM 0 H ALA A 731 4.566 -0.695 -9.972 1.00 1.00 H new ATOM 0 HA ALA A 731 5.406 -3.380 -9.844 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.647 -2.406 -10.292 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.396 -1.712 -11.351 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.996 -0.784 -9.957 1.00 1.00 H new ATOM 107 N MET A 732 6.131 -1.604 -7.147 1.00 1.00 N ATOM 108 CA MET A 732 6.494 -1.766 -5.741 1.00 1.00 C ATOM 109 C MET A 732 5.589 -2.802 -5.064 1.00 1.00 C ATOM 110 O MET A 732 6.074 -3.690 -4.359 1.00 1.00 O ATOM 111 CB MET A 732 6.393 -0.436 -4.991 1.00 1.00 C ATOM 112 CG MET A 732 7.402 0.633 -5.424 1.00 1.00 C ATOM 113 SD MET A 732 7.176 2.221 -4.571 1.00 1.00 S ATOM 114 CE MET A 732 8.225 1.963 -3.115 1.00 1.00 C ATOM 0 H MET A 732 5.846 -0.658 -7.399 1.00 1.00 H new ATOM 0 HA MET A 732 7.527 -2.113 -5.706 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.387 -0.038 -5.122 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.524 -0.627 -3.926 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.411 0.268 -5.236 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.315 0.790 -6.499 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.196 2.851 -2.484 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.860 1.105 -2.551 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.251 1.777 -3.434 1.00 1.00 H new ATOM 124 N ILE A 733 4.274 -2.697 -5.264 1.00 1.00 N ATOM 125 CA ILE A 733 3.318 -3.648 -4.707 1.00 1.00 C ATOM 126 C ILE A 733 3.545 -5.045 -5.293 1.00 1.00 C ATOM 127 O ILE A 733 3.491 -6.016 -4.546 1.00 1.00 O ATOM 128 CB ILE A 733 1.843 -3.162 -4.785 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.688 -1.695 -4.315 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.995 -4.062 -3.880 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.358 -1.228 -3.715 1.00 1.00 C ATOM 0 H ILE A 733 3.846 -1.953 -5.815 1.00 1.00 H new ATOM 0 HA ILE A 733 3.509 -3.717 -3.636 1.00 1.00 H new ATOM 0 HB ILE A 733 1.518 -3.214 -5.824 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.464 -1.507 -3.573 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.902 -1.054 -5.170 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.046 -3.740 -3.918 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.068 -5.094 -4.222 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.359 -3.993 -2.855 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.431 -0.175 -3.443 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.438 -1.358 -4.448 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.133 -1.818 -2.826 1.00 1.00 H new ATOM 143 N VAL A 734 3.893 -5.169 -6.569 1.00 1.00 N ATOM 144 CA VAL A 734 4.159 -6.457 -7.209 1.00 1.00 C ATOM 145 C VAL A 734 5.404 -7.102 -6.580 1.00 1.00 C ATOM 146 O VAL A 734 5.463 -8.325 -6.394 1.00 1.00 O ATOM 147 CB VAL A 734 4.215 -6.256 -8.738 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.742 -7.483 -9.489 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.811 -5.930 -9.280 1.00 1.00 C ATOM 0 H VAL A 734 4.000 -4.372 -7.196 1.00 1.00 H new ATOM 0 HA VAL A 734 3.355 -7.172 -7.035 1.00 1.00 H new ATOM 0 HB VAL A 734 4.907 -5.431 -8.908 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.756 -7.276 -10.559 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.753 -7.711 -9.150 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.093 -8.336 -9.293 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.861 -5.790 -10.360 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.133 -6.752 -9.052 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.444 -5.017 -8.812 1.00 1.00 H new ATOM 159 N GLU A 735 6.399 -6.297 -6.200 1.00 1.00 N ATOM 160 CA GLU A 735 7.567 -6.791 -5.490 1.00 1.00 C ATOM 161 C GLU A 735 7.132 -7.338 -4.131 1.00 1.00 C ATOM 162 O GLU A 735 7.515 -8.453 -3.764 1.00 1.00 O ATOM 163 CB GLU A 735 8.580 -5.656 -5.339 1.00 1.00 C ATOM 164 CG GLU A 735 9.823 -6.109 -4.580 1.00 1.00 C ATOM 165 CD GLU A 735 10.768 -4.941 -4.361 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.586 -4.660 -5.269 1.00 1.00 O ATOM 167 OE2 GLU A 735 10.674 -4.326 -3.274 1.00 1.00 O ATOM 0 H GLU A 735 6.412 -5.293 -6.377 1.00 1.00 H new ATOM 0 HA GLU A 735 8.042 -7.599 -6.047 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.868 -5.291 -6.325 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.116 -4.821 -4.813 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.534 -6.536 -3.619 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.331 -6.895 -5.138 1.00 1.00 H new ATOM 174 N PHE A 736 6.326 -6.562 -3.401 1.00 1.00 N ATOM 175 CA PHE A 736 5.803 -6.927 -2.094 1.00 1.00 C ATOM 176 C PHE A 736 4.950 -8.191 -2.182 1.00 1.00 C ATOM 177 O PHE A 736 5.076 -9.057 -1.322 1.00 1.00 O ATOM 178 CB PHE A 736 5.006 -5.747 -1.526 1.00 1.00 C ATOM 179 CG PHE A 736 4.386 -5.948 -0.152 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.135 -6.488 0.914 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.053 -5.551 0.072 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.549 -6.641 2.183 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.470 -5.696 1.343 1.00 1.00 C ATOM 184 CZ PHE A 736 3.217 -6.251 2.394 1.00 1.00 C ATOM 0 H PHE A 736 6.016 -5.643 -3.715 1.00 1.00 H new ATOM 0 HA PHE A 736 6.630 -7.149 -1.420 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.665 -4.880 -1.480 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.209 -5.504 -2.228 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.161 -6.785 0.755 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.475 -5.132 -0.738 1.00 1.00 H new ATOM 0 HE1 PHE A 736 5.124 -7.059 2.996 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.450 -5.381 1.510 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.766 -6.378 3.367 1.00 1.00 H new ATOM 194 N MET A 737 4.122 -8.329 -3.221 1.00 1.00 N ATOM 195 CA MET A 737 3.310 -9.503 -3.508 1.00 1.00 C ATOM 196 C MET A 737 4.189 -10.735 -3.618 1.00 1.00 C ATOM 197 O MET A 737 3.946 -11.708 -2.898 1.00 1.00 O ATOM 198 CB MET A 737 2.435 -9.294 -4.751 1.00 1.00 C ATOM 199 CG MET A 737 1.168 -8.486 -4.435 1.00 1.00 C ATOM 200 SD MET A 737 -0.043 -9.267 -3.331 1.00 1.00 S ATOM 201 CE MET A 737 -0.596 -10.656 -4.359 1.00 1.00 C ATOM 0 H MET A 737 3.998 -7.590 -3.913 1.00 1.00 H new ATOM 0 HA MET A 737 2.623 -9.661 -2.677 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.012 -8.777 -5.518 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.153 -10.263 -5.163 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.471 -7.538 -3.991 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.670 -8.253 -5.376 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.442 -11.149 -3.880 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.899 -10.286 -5.338 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.220 -11.369 -4.477 1.00 1.00 H new ATOM 211 N ALA A 738 5.219 -10.686 -4.466 1.00 1.00 N ATOM 212 CA ALA A 738 6.119 -11.815 -4.632 1.00 1.00 C ATOM 213 C ALA A 738 6.926 -12.098 -3.360 1.00 1.00 C ATOM 214 O ALA A 738 7.237 -13.256 -3.085 1.00 1.00 O ATOM 215 CB ALA A 738 7.055 -11.536 -5.799 1.00 1.00 C ATOM 0 H ALA A 738 5.445 -9.876 -5.044 1.00 1.00 H new ATOM 0 HA ALA A 738 5.521 -12.703 -4.835 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.734 -12.379 -5.930 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.471 -11.395 -6.708 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.632 -10.634 -5.595 1.00 1.00 H new ATOM 221 N SER A 739 7.282 -11.074 -2.588 1.00 1.00 N ATOM 222 CA SER A 739 8.084 -11.238 -1.386 1.00 1.00 C ATOM 223 C SER A 739 7.249 -11.812 -0.230 1.00 1.00 C ATOM 224 O SER A 739 7.709 -12.720 0.460 1.00 1.00 O ATOM 225 CB SER A 739 8.710 -9.877 -1.042 1.00 1.00 C ATOM 226 OG SER A 739 9.606 -9.974 0.041 1.00 1.00 O ATOM 0 H SER A 739 7.020 -10.107 -2.782 1.00 1.00 H new ATOM 0 HA SER A 739 8.880 -11.962 -1.559 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.234 -9.487 -1.914 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.921 -9.165 -0.799 1.00 1.00 H new ATOM 0 HG SER A 739 9.986 -9.091 0.231 1.00 1.00 H new ATOM 232 N LYS A 740 6.027 -11.308 -0.023 1.00 1.00 N ATOM 233 CA LYS A 740 5.110 -11.621 1.075 1.00 1.00 C ATOM 234 C LYS A 740 5.829 -11.673 2.419 1.00 1.00 C ATOM 235 O LYS A 740 5.795 -12.693 3.101 1.00 1.00 O ATOM 236 CB LYS A 740 4.075 -12.737 0.796 1.00 1.00 C ATOM 237 CG LYS A 740 4.582 -14.156 0.497 1.00 1.00 C ATOM 238 CD LYS A 740 4.487 -14.518 -0.995 1.00 1.00 C ATOM 239 CE LYS A 740 4.636 -16.029 -1.200 1.00 1.00 C ATOM 240 NZ LYS A 740 3.426 -16.767 -0.787 1.00 1.00 N ATOM 0 H LYS A 740 5.627 -10.623 -0.664 1.00 1.00 H new ATOM 0 HA LYS A 740 4.435 -10.769 1.152 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.414 -12.798 1.660 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.466 -12.419 -0.050 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.619 -14.243 0.823 1.00 1.00 H new ATOM 0 HG3 LYS A 740 4.004 -14.874 1.078 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.529 -14.185 -1.394 1.00 1.00 H new ATOM 0 HD3 LYS A 740 5.264 -13.993 -1.551 1.00 1.00 H new ATOM 0 HE2 LYS A 740 4.844 -16.233 -2.250 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.492 -16.389 -0.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 3.486 -17.749 -1.126 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 3.354 -16.762 0.250 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 2.585 -16.311 -1.194 1.00 1.00 H new ATOM 253 N LYS A 741 6.454 -10.548 2.796 1.00 1.00 N ATOM 254 CA LYS A 741 7.112 -10.367 4.083 1.00 1.00 C ATOM 255 C LYS A 741 6.081 -10.550 5.194 1.00 1.00 C ATOM 256 O LYS A 741 5.949 -11.643 5.730 1.00 1.00 O ATOM 257 CB LYS A 741 7.766 -8.979 4.107 1.00 1.00 C ATOM 258 CG LYS A 741 9.104 -9.004 3.373 1.00 1.00 C ATOM 259 CD LYS A 741 10.238 -9.616 4.198 1.00 1.00 C ATOM 260 CE LYS A 741 11.517 -9.561 3.371 1.00 1.00 C ATOM 261 NZ LYS A 741 12.663 -10.118 4.109 1.00 1.00 N ATOM 0 H LYS A 741 6.513 -9.725 2.196 1.00 1.00 H new ATOM 0 HA LYS A 741 7.897 -11.107 4.240 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.103 -8.250 3.641 1.00 1.00 H new ATOM 0 HB3 LYS A 741 7.916 -8.659 5.138 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.992 -9.569 2.448 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.376 -7.986 3.094 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.366 -9.068 5.132 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.001 -10.647 4.463 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.376 -10.116 2.444 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.728 -8.528 3.095 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.516 -10.065 3.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.812 -9.572 4.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.471 -11.111 4.351 1.00 1.00 H new ATOM 274 N MET A 742 5.318 -9.492 5.467 1.00 1.00 N ATOM 275 CA MET A 742 4.188 -9.371 6.380 1.00 1.00 C ATOM 276 C MET A 742 3.507 -8.057 6.024 1.00 1.00 C ATOM 277 O MET A 742 2.383 -8.074 5.530 1.00 1.00 O ATOM 278 CB MET A 742 4.563 -9.408 7.874 1.00 1.00 C ATOM 279 CG MET A 742 4.783 -10.799 8.491 1.00 1.00 C ATOM 280 SD MET A 742 3.317 -11.880 8.531 1.00 1.00 S ATOM 281 CE MET A 742 3.494 -12.890 7.031 1.00 1.00 C ATOM 0 H MET A 742 5.499 -8.603 5.001 1.00 1.00 H new ATOM 0 HA MET A 742 3.535 -10.235 6.255 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.474 -8.826 8.012 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.776 -8.906 8.436 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.571 -11.305 7.932 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.147 -10.672 9.511 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.835 -13.756 7.096 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.226 -12.295 6.158 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.527 -13.226 6.938 1.00 1.00 H new ATOM 291 N GLN A 743 4.200 -6.928 6.209 1.00 1.00 N ATOM 292 CA GLN A 743 3.663 -5.585 6.010 1.00 1.00 C ATOM 293 C GLN A 743 4.612 -4.719 5.180 1.00 1.00 C ATOM 294 O GLN A 743 5.776 -5.076 4.989 1.00 1.00 O ATOM 295 CB GLN A 743 3.330 -4.951 7.375 1.00 1.00 C ATOM 296 CG GLN A 743 4.493 -4.845 8.385 1.00 1.00 C ATOM 297 CD GLN A 743 5.619 -3.908 7.955 1.00 1.00 C ATOM 298 OE1 GLN A 743 6.769 -4.317 7.809 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.321 -2.644 7.718 1.00 1.00 N ATOM 0 H GLN A 743 5.175 -6.927 6.509 1.00 1.00 H new ATOM 0 HA GLN A 743 2.739 -5.654 5.436 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.937 -3.949 7.200 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.530 -5.531 7.835 1.00 1.00 H new ATOM 0 HG2 GLN A 743 4.097 -4.503 9.341 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.907 -5.840 8.549 1.00 1.00 H new ATOM 0 HE21 GLN A 743 4.364 -2.314 7.842 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.048 -1.998 7.411 1.00 1.00 H new ATOM 308 N LEU A 744 4.093 -3.611 4.656 1.00 1.00 N ATOM 309 CA LEU A 744 4.798 -2.568 3.930 1.00 1.00 C ATOM 310 C LEU A 744 4.070 -1.275 4.297 1.00 1.00 C ATOM 311 O LEU A 744 2.860 -1.161 4.081 1.00 1.00 O ATOM 312 CB LEU A 744 4.782 -2.859 2.423 1.00 1.00 C ATOM 313 CG LEU A 744 5.701 -1.974 1.555 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.605 -2.476 0.114 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.380 -0.479 1.578 1.00 1.00 C ATOM 0 H LEU A 744 3.097 -3.408 4.736 1.00 1.00 H new ATOM 0 HA LEU A 744 5.854 -2.501 4.193 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.064 -3.901 2.271 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.759 -2.750 2.063 1.00 1.00 H new ATOM 0 HG LEU A 744 6.703 -2.061 1.976 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.245 -1.869 -0.526 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.928 -3.516 0.069 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.573 -2.401 -0.229 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.082 0.054 0.937 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.365 -0.319 1.215 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.464 -0.104 2.598 1.00 1.00 H new ATOM 327 N GLU A 745 4.766 -0.327 4.911 1.00 1.00 N ATOM 328 CA GLU A 745 4.261 0.986 5.232 1.00 1.00 C ATOM 329 C GLU A 745 4.653 1.920 4.091 1.00 1.00 C ATOM 330 O GLU A 745 5.837 2.195 3.887 1.00 1.00 O ATOM 331 CB GLU A 745 4.863 1.406 6.575 1.00 1.00 C ATOM 332 CG GLU A 745 4.076 0.763 7.722 1.00 1.00 C ATOM 333 CD GLU A 745 4.812 0.854 9.057 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.710 0.026 9.320 1.00 1.00 O ATOM 335 OE2 GLU A 745 4.493 1.725 9.895 1.00 1.00 O ATOM 0 H GLU A 745 5.732 -0.464 5.207 1.00 1.00 H new ATOM 0 HA GLU A 745 3.176 1.011 5.333 1.00 1.00 H new ATOM 0 HB2 GLU A 745 5.909 1.103 6.625 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.840 2.492 6.670 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.106 1.251 7.811 1.00 1.00 H new ATOM 0 HG3 GLU A 745 3.886 -0.284 7.486 1.00 1.00 H new ATOM 342 N PHE A 746 3.661 2.432 3.364 1.00 1.00 N ATOM 343 CA PHE A 746 3.852 3.408 2.304 1.00 1.00 C ATOM 344 C PHE A 746 3.675 4.792 2.966 1.00 1.00 C ATOM 345 O PHE A 746 2.866 4.959 3.887 1.00 1.00 O ATOM 346 CB PHE A 746 2.864 3.155 1.143 1.00 1.00 C ATOM 347 CG PHE A 746 3.229 2.070 0.137 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.366 2.225 -0.681 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.393 0.950 -0.065 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.674 1.277 -1.671 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.702 0.003 -1.057 1.00 1.00 C ATOM 352 CZ PHE A 746 3.841 0.166 -1.860 1.00 1.00 C ATOM 0 H PHE A 746 2.684 2.172 3.502 1.00 1.00 H new ATOM 0 HA PHE A 746 4.841 3.340 1.850 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.895 2.903 1.574 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.737 4.091 0.598 1.00 1.00 H new ATOM 0 HD1 PHE A 746 5.008 3.083 -0.545 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.512 0.820 0.546 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.552 1.404 -2.286 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.060 -0.853 -1.202 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.075 -0.563 -2.622 1.00 1.00 H new ATOM 362 N PRO A 747 4.429 5.807 2.522 1.00 1.00 N ATOM 363 CA PRO A 747 4.425 7.116 3.161 1.00 1.00 C ATOM 364 C PRO A 747 3.146 7.946 2.963 1.00 1.00 C ATOM 365 O PRO A 747 2.371 7.709 2.038 1.00 1.00 O ATOM 366 CB PRO A 747 5.648 7.825 2.579 1.00 1.00 C ATOM 367 CG PRO A 747 5.835 7.192 1.202 1.00 1.00 C ATOM 368 CD PRO A 747 5.386 5.755 1.428 1.00 1.00 C ATOM 0 HA PRO A 747 4.458 6.996 4.244 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.485 8.900 2.503 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.528 7.679 3.206 1.00 1.00 H new ATOM 0 HG2 PRO A 747 5.232 7.690 0.443 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.872 7.244 0.870 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.930 5.342 0.528 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.232 5.116 1.679 1.00 1.00 H new ATOM 376 N PRO A 748 2.949 8.985 3.795 1.00 1.00 N ATOM 377 CA PRO A 748 1.850 9.939 3.675 1.00 1.00 C ATOM 378 C PRO A 748 1.948 10.785 2.410 1.00 1.00 C ATOM 379 O PRO A 748 0.935 11.346 2.001 1.00 1.00 O ATOM 380 CB PRO A 748 1.893 10.823 4.917 1.00 1.00 C ATOM 381 CG PRO A 748 3.356 10.742 5.339 1.00 1.00 C ATOM 382 CD PRO A 748 3.782 9.339 4.935 1.00 1.00 C ATOM 0 HA PRO A 748 0.905 9.401 3.600 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.592 11.847 4.695 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.226 10.457 5.697 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.958 11.501 4.839 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.471 10.900 6.411 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.839 9.312 4.670 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.641 8.636 5.756 1.00 1.00 H new ATOM 390 N SER A 749 3.147 10.940 1.838 1.00 1.00 N ATOM 391 CA SER A 749 3.444 11.720 0.644 1.00 1.00 C ATOM 392 C SER A 749 2.372 11.561 -0.440 1.00 1.00 C ATOM 393 O SER A 749 2.005 12.540 -1.091 1.00 1.00 O ATOM 394 CB SER A 749 4.815 11.287 0.107 1.00 1.00 C ATOM 395 OG SER A 749 5.733 11.053 1.161 1.00 1.00 O ATOM 0 H SER A 749 3.981 10.496 2.223 1.00 1.00 H new ATOM 0 HA SER A 749 3.455 12.775 0.916 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.704 10.381 -0.489 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.208 12.058 -0.555 1.00 1.00 H new ATOM 0 HG SER A 749 6.596 10.777 0.788 1.00 1.00 H new ATOM 401 N LEU A 750 1.833 10.344 -0.587 1.00 1.00 N ATOM 402 CA LEU A 750 0.749 10.003 -1.496 1.00 1.00 C ATOM 403 C LEU A 750 -0.432 10.859 -1.089 1.00 1.00 C ATOM 404 O LEU A 750 -1.016 10.635 -0.030 1.00 1.00 O ATOM 405 CB LEU A 750 0.511 8.486 -1.398 1.00 1.00 C ATOM 406 CG LEU A 750 1.621 7.623 -2.058 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.602 8.402 -2.946 1.00 1.00 C ATOM 408 CD2 LEU A 750 2.426 6.865 -0.998 1.00 1.00 C ATOM 0 H LEU A 750 2.160 9.541 -0.049 1.00 1.00 H new ATOM 0 HA LEU A 750 0.957 10.207 -2.546 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.429 8.210 -0.347 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.444 8.249 -1.866 1.00 1.00 H new ATOM 0 HG LEU A 750 1.078 6.937 -2.708 1.00 1.00 H new ATOM 0 HD11 LEU A 750 3.340 7.716 -3.362 1.00 1.00 H new ATOM 0 HD12 LEU A 750 2.055 8.883 -3.757 1.00 1.00 H new ATOM 0 HD13 LEU A 750 3.108 9.161 -2.350 1.00 1.00 H new ATOM 0 HD21 LEU A 750 3.197 6.268 -1.485 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.894 7.577 -0.318 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.761 6.210 -0.436 1.00 1.00 H new ATOM 420 N ASN A 751 -0.818 11.784 -1.971 1.00 1.00 N ATOM 421 CA ASN A 751 -1.853 12.766 -1.657 1.00 1.00 C ATOM 422 C ASN A 751 -3.238 12.160 -1.523 1.00 1.00 C ATOM 423 O ASN A 751 -3.766 12.055 -0.416 1.00 1.00 O ATOM 424 CB ASN A 751 -1.864 13.928 -2.661 1.00 1.00 C ATOM 425 CG ASN A 751 -0.493 14.534 -2.913 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.134 14.221 -3.921 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.002 15.370 -2.021 1.00 1.00 N ATOM 0 H ASN A 751 -0.427 11.872 -2.909 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.588 13.162 -0.677 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -2.274 13.575 -3.607 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.533 14.706 -2.294 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.928 15.774 -2.160 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.541 15.612 -1.193 1.00 1.00 H new ATOM 434 N SER A 752 -3.816 11.750 -2.648 1.00 1.00 N ATOM 435 CA SER A 752 -5.169 11.234 -2.723 1.00 1.00 C ATOM 436 C SER A 752 -5.197 10.171 -3.803 1.00 1.00 C ATOM 437 O SER A 752 -5.353 9.009 -3.463 1.00 1.00 O ATOM 438 CB SER A 752 -6.177 12.365 -2.957 1.00 1.00 C ATOM 439 OG SER A 752 -6.175 13.239 -1.845 1.00 1.00 O ATOM 0 H SER A 752 -3.341 11.770 -3.551 1.00 1.00 H new ATOM 0 HA SER A 752 -5.467 10.779 -1.779 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.920 12.913 -3.864 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.175 11.952 -3.106 1.00 1.00 H new ATOM 0 HG SER A 752 -6.818 13.962 -1.996 1.00 1.00 H new ATOM 445 N HIS A 753 -4.958 10.528 -5.069 1.00 1.00 N ATOM 446 CA HIS A 753 -4.969 9.569 -6.168 1.00 1.00 C ATOM 447 C HIS A 753 -3.997 8.415 -5.919 1.00 1.00 C ATOM 448 O HIS A 753 -4.381 7.256 -6.046 1.00 1.00 O ATOM 449 CB HIS A 753 -4.642 10.282 -7.488 1.00 1.00 C ATOM 450 CG HIS A 753 -5.599 11.391 -7.855 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.965 11.392 -7.663 1.00 1.00 N ATOM 452 CD2 HIS A 753 -5.273 12.557 -8.496 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.448 12.532 -8.174 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.462 13.268 -8.709 1.00 1.00 N ATOM 0 H HIS A 753 -4.753 11.485 -5.355 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.969 9.140 -6.234 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.635 10.695 -7.424 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.634 9.546 -8.292 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -4.281 12.871 -8.785 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.489 12.819 -8.158 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -6.559 14.168 -9.179 1.00 1.00 H new ATOM 462 N ASP A 754 -2.758 8.712 -5.518 1.00 1.00 N ATOM 463 CA ASP A 754 -1.711 7.732 -5.285 1.00 1.00 C ATOM 464 C ASP A 754 -2.145 6.795 -4.155 1.00 1.00 C ATOM 465 O ASP A 754 -2.055 5.577 -4.257 1.00 1.00 O ATOM 466 CB ASP A 754 -0.429 8.482 -4.885 1.00 1.00 C ATOM 467 CG ASP A 754 -0.146 9.741 -5.688 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.784 10.763 -5.336 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.677 9.709 -6.626 1.00 1.00 O ATOM 0 H ASP A 754 -2.454 9.670 -5.344 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.528 7.142 -6.183 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.496 8.749 -3.830 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.418 7.804 -4.989 1.00 1.00 H new ATOM 474 N ARG A 755 -2.663 7.381 -3.072 1.00 1.00 N ATOM 475 CA ARG A 755 -3.109 6.717 -1.852 1.00 1.00 C ATOM 476 C ARG A 755 -4.271 5.778 -2.168 1.00 1.00 C ATOM 477 O ARG A 755 -4.234 4.599 -1.818 1.00 1.00 O ATOM 478 CB ARG A 755 -3.480 7.831 -0.865 1.00 1.00 C ATOM 479 CG ARG A 755 -3.763 7.311 0.539 1.00 1.00 C ATOM 480 CD ARG A 755 -4.070 8.490 1.480 1.00 1.00 C ATOM 481 NE ARG A 755 -2.943 9.421 1.693 1.00 1.00 N ATOM 482 CZ ARG A 755 -2.890 10.423 2.585 1.00 1.00 C ATOM 483 NH1 ARG A 755 -3.938 10.731 3.345 1.00 1.00 N ATOM 484 NH2 ARG A 755 -1.768 11.117 2.714 1.00 1.00 N ATOM 0 H ARG A 755 -2.788 8.392 -3.024 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.336 6.089 -1.409 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.667 8.556 -0.821 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.359 8.359 -1.235 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.607 6.621 0.518 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -2.904 6.752 0.910 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.914 9.049 1.076 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.383 8.094 2.446 1.00 1.00 H new ATOM 0 HE ARG A 755 -2.122 9.289 1.102 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -4.805 10.201 3.257 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -3.874 11.497 4.016 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -0.957 10.887 2.139 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -1.715 11.881 3.388 1.00 1.00 H new ATOM 498 N LEU A 756 -5.290 6.305 -2.846 1.00 1.00 N ATOM 499 CA LEU A 756 -6.441 5.572 -3.348 1.00 1.00 C ATOM 500 C LEU A 756 -5.954 4.392 -4.164 1.00 1.00 C ATOM 501 O LEU A 756 -6.461 3.285 -4.012 1.00 1.00 O ATOM 502 CB LEU A 756 -7.337 6.521 -4.136 1.00 1.00 C ATOM 503 CG LEU A 756 -8.302 5.868 -5.150 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.581 6.693 -5.234 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.683 5.809 -6.558 1.00 1.00 C ATOM 0 H LEU A 756 -5.333 7.300 -3.068 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.044 5.173 -2.533 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.927 7.102 -3.427 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.701 7.225 -4.673 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.508 4.854 -4.807 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.264 6.234 -5.949 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -10.055 6.731 -4.253 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.340 7.705 -5.560 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.389 5.344 -7.246 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.456 6.819 -6.898 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -6.765 5.222 -6.528 1.00 1.00 H new ATOM 517 N ARG A 757 -4.962 4.606 -5.027 1.00 1.00 N ATOM 518 CA ARG A 757 -4.522 3.538 -5.889 1.00 1.00 C ATOM 519 C ARG A 757 -3.811 2.479 -5.059 1.00 1.00 C ATOM 520 O ARG A 757 -4.075 1.307 -5.298 1.00 1.00 O ATOM 521 CB ARG A 757 -3.649 4.088 -7.007 1.00 1.00 C ATOM 522 CG ARG A 757 -3.628 3.105 -8.178 1.00 1.00 C ATOM 523 CD ARG A 757 -4.809 3.319 -9.136 1.00 1.00 C ATOM 524 NE ARG A 757 -4.825 2.261 -10.154 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.176 0.989 -9.941 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.913 0.667 -8.886 1.00 1.00 N ATOM 527 NH2 ARG A 757 -4.766 0.046 -10.780 1.00 1.00 N ATOM 0 H ARG A 757 -4.465 5.490 -5.139 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.380 3.064 -6.366 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -4.031 5.054 -7.338 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.636 4.254 -6.641 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.693 3.216 -8.727 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.654 2.085 -7.794 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.746 3.314 -8.579 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.728 4.295 -9.615 1.00 1.00 H new ATOM 0 HE ARG A 757 -4.546 2.518 -11.101 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -6.214 1.391 -8.234 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -6.179 -0.305 -8.727 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -4.186 0.294 -11.582 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.030 -0.927 -10.623 1.00 1.00 H new ATOM 541 N VAL A 758 -2.971 2.844 -4.082 1.00 1.00 N ATOM 542 CA VAL A 758 -2.327 1.855 -3.219 1.00 1.00 C ATOM 543 C VAL A 758 -3.416 0.964 -2.589 1.00 1.00 C ATOM 544 O VAL A 758 -3.299 -0.263 -2.652 1.00 1.00 O ATOM 545 CB VAL A 758 -1.412 2.547 -2.181 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.922 1.594 -1.080 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.158 3.128 -2.861 1.00 1.00 C ATOM 0 H VAL A 758 -2.725 3.812 -3.873 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.669 1.208 -3.799 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.025 3.329 -1.733 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.285 2.139 -0.384 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.779 1.186 -0.544 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.354 0.780 -1.530 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.471 3.610 -2.113 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.400 2.325 -3.342 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.457 3.861 -3.610 1.00 1.00 H new ATOM 557 N HIS A 759 -4.488 1.563 -2.041 1.00 1.00 N ATOM 558 CA HIS A 759 -5.633 0.827 -1.498 1.00 1.00 C ATOM 559 C HIS A 759 -6.229 -0.130 -2.542 1.00 1.00 C ATOM 560 O HIS A 759 -6.378 -1.320 -2.271 1.00 1.00 O ATOM 561 CB HIS A 759 -6.735 1.779 -0.993 1.00 1.00 C ATOM 562 CG HIS A 759 -6.410 2.604 0.230 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.177 2.118 1.497 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.437 3.971 0.315 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.042 3.168 2.324 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.200 4.319 1.649 1.00 1.00 N ATOM 0 H HIS A 759 -4.580 2.576 -1.964 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.258 0.247 -0.655 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.994 2.460 -1.804 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.624 1.187 -0.777 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.610 4.657 -0.501 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.836 3.097 3.382 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.156 5.262 2.034 1.00 1.00 H new ATOM 574 N GLN A 760 -6.574 0.381 -3.724 1.00 1.00 N ATOM 575 CA GLN A 760 -7.241 -0.359 -4.784 1.00 1.00 C ATOM 576 C GLN A 760 -6.426 -1.563 -5.258 1.00 1.00 C ATOM 577 O GLN A 760 -6.980 -2.659 -5.309 1.00 1.00 O ATOM 578 CB GLN A 760 -7.514 0.590 -5.952 1.00 1.00 C ATOM 579 CG GLN A 760 -8.680 1.560 -5.715 1.00 1.00 C ATOM 580 CD GLN A 760 -8.847 2.532 -6.881 1.00 1.00 C ATOM 581 OE1 GLN A 760 -8.033 2.576 -7.810 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.916 3.315 -6.875 1.00 1.00 N ATOM 0 H GLN A 760 -6.389 1.353 -3.973 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.177 -0.752 -4.387 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.612 1.167 -6.155 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.723 -0.000 -6.844 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.602 0.995 -5.576 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.508 2.120 -4.796 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.579 3.267 -6.101 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.076 3.966 -7.644 1.00 1.00 H new ATOM 591 N ILE A 761 -5.149 -1.385 -5.627 1.00 1.00 N ATOM 592 CA ILE A 761 -4.221 -2.444 -5.999 1.00 1.00 C ATOM 593 C ILE A 761 -4.209 -3.494 -4.889 1.00 1.00 C ATOM 594 O ILE A 761 -4.411 -4.682 -5.151 1.00 1.00 O ATOM 595 CB ILE A 761 -2.829 -1.806 -6.234 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.919 -0.755 -7.358 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.762 -2.862 -6.582 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.627 0.047 -7.576 1.00 1.00 C ATOM 0 H ILE A 761 -4.725 -0.459 -5.674 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.520 -2.945 -6.920 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.523 -1.326 -5.305 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -3.183 -1.257 -8.289 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.729 -0.062 -7.128 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.802 -2.371 -6.739 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.675 -3.575 -5.763 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.053 -3.388 -7.491 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.776 0.764 -8.384 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.371 0.580 -6.660 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.817 -0.633 -7.839 1.00 1.00 H new ATOM 610 N ALA A 762 -4.003 -3.062 -3.642 1.00 1.00 N ATOM 611 CA ALA A 762 -3.988 -3.967 -2.505 1.00 1.00 C ATOM 612 C ALA A 762 -5.265 -4.812 -2.435 1.00 1.00 C ATOM 613 O ALA A 762 -5.184 -6.018 -2.189 1.00 1.00 O ATOM 614 CB ALA A 762 -3.729 -3.157 -1.228 1.00 1.00 C ATOM 0 H ALA A 762 -3.844 -2.084 -3.400 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.178 -4.687 -2.620 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.716 -3.827 -0.368 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.767 -2.650 -1.308 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.520 -2.418 -1.100 1.00 1.00 H new ATOM 620 N GLU A 763 -6.422 -4.201 -2.684 1.00 1.00 N ATOM 621 CA GLU A 763 -7.701 -4.889 -2.686 1.00 1.00 C ATOM 622 C GLU A 763 -7.867 -5.829 -3.882 1.00 1.00 C ATOM 623 O GLU A 763 -8.540 -6.853 -3.759 1.00 1.00 O ATOM 624 CB GLU A 763 -8.839 -3.864 -2.704 1.00 1.00 C ATOM 625 CG GLU A 763 -10.042 -4.461 -1.975 1.00 1.00 C ATOM 626 CD GLU A 763 -11.323 -3.674 -2.212 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.332 -2.440 -1.985 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.329 -4.303 -2.606 1.00 1.00 O ATOM 0 H GLU A 763 -6.493 -3.205 -2.891 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.734 -5.494 -1.780 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.524 -2.940 -2.220 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.105 -3.612 -3.730 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.187 -5.490 -2.304 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -9.834 -4.494 -0.906 1.00 1.00 H new ATOM 635 N GLU A 764 -7.305 -5.485 -5.045 1.00 1.00 N ATOM 636 CA GLU A 764 -7.318 -6.281 -6.252 1.00 1.00 C ATOM 637 C GLU A 764 -6.625 -7.616 -5.983 1.00 1.00 C ATOM 638 O GLU A 764 -7.121 -8.684 -6.365 1.00 1.00 O ATOM 639 CB GLU A 764 -6.597 -5.497 -7.358 1.00 1.00 C ATOM 640 CG GLU A 764 -6.997 -6.061 -8.710 1.00 1.00 C ATOM 641 CD GLU A 764 -6.093 -5.554 -9.829 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.067 -4.330 -10.092 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.429 -6.388 -10.489 1.00 1.00 O ATOM 0 H GLU A 764 -6.809 -4.602 -5.164 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.340 -6.486 -6.571 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.857 -4.440 -7.300 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.517 -5.567 -7.226 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -6.956 -7.150 -8.676 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.030 -5.788 -8.926 1.00 1.00 H new ATOM 650 N HIS A 765 -5.478 -7.528 -5.310 1.00 1.00 N ATOM 651 CA HIS A 765 -4.664 -8.612 -4.829 1.00 1.00 C ATOM 652 C HIS A 765 -5.308 -9.181 -3.558 1.00 1.00 C ATOM 653 O HIS A 765 -6.529 -9.316 -3.451 1.00 1.00 O ATOM 654 CB HIS A 765 -3.229 -8.105 -4.650 1.00 1.00 C ATOM 655 CG HIS A 765 -2.624 -7.567 -5.921 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.502 -8.215 -7.130 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.152 -6.300 -6.086 1.00 1.00 C ATOM 658 CE1 HIS A 765 -1.984 -7.337 -8.005 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.770 -6.145 -7.423 1.00 1.00 N ATOM 0 H HIS A 765 -5.075 -6.621 -5.076 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.607 -9.439 -5.537 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.220 -7.322 -3.892 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.608 -8.919 -4.276 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -2.758 -9.183 -7.325 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -2.084 -5.545 -5.317 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.768 -7.560 -9.039 1.00 1.00 H new ATOM 667 N GLY A 766 -4.476 -9.674 -2.649 1.00 1.00 N ATOM 668 CA GLY A 766 -4.814 -10.226 -1.364 1.00 1.00 C ATOM 669 C GLY A 766 -4.105 -9.459 -0.257 1.00 1.00 C ATOM 670 O GLY A 766 -3.430 -10.068 0.578 1.00 1.00 O ATOM 0 H GLY A 766 -3.470 -9.695 -2.815 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.893 -10.181 -1.214 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.530 -11.278 -1.326 1.00 1.00 H new ATOM 674 N LEU A 767 -4.198 -8.124 -0.262 1.00 1.00 N ATOM 675 CA LEU A 767 -3.556 -7.302 0.750 1.00 1.00 C ATOM 676 C LEU A 767 -4.579 -6.578 1.611 1.00 1.00 C ATOM 677 O LEU A 767 -5.583 -6.058 1.116 1.00 1.00 O ATOM 678 CB LEU A 767 -2.670 -6.221 0.119 1.00 1.00 C ATOM 679 CG LEU A 767 -1.593 -6.647 -0.872 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.692 -5.470 -1.243 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.699 -7.714 -0.268 1.00 1.00 C ATOM 0 H LEU A 767 -4.717 -7.595 -0.963 1.00 1.00 H new ATOM 0 HA LEU A 767 -2.959 -7.987 1.352 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.324 -5.511 -0.388 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.180 -5.681 0.929 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.110 -7.026 -1.753 1.00 1.00 H new ATOM 0 HD11 LEU A 767 0.067 -5.802 -1.951 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.292 -4.682 -1.697 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.208 -5.086 -0.345 1.00 1.00 H new ATOM 0 HD21 LEU A 767 0.062 -8.003 -0.992 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.217 -7.321 0.627 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.299 -8.585 -0.005 1.00 1.00 H new ATOM 693 N ARG A 768 -4.303 -6.505 2.912 1.00 1.00 N ATOM 694 CA ARG A 768 -5.129 -5.735 3.823 1.00 1.00 C ATOM 695 C ARG A 768 -4.524 -4.346 3.775 1.00 1.00 C ATOM 696 O ARG A 768 -3.416 -4.172 4.277 1.00 1.00 O ATOM 697 CB ARG A 768 -5.071 -6.314 5.253 1.00 1.00 C ATOM 698 CG ARG A 768 -5.971 -5.498 6.192 1.00 1.00 C ATOM 699 CD ARG A 768 -6.057 -6.064 7.618 1.00 1.00 C ATOM 700 NE ARG A 768 -5.052 -5.478 8.523 1.00 1.00 N ATOM 701 CZ ARG A 768 -5.050 -5.602 9.858 1.00 1.00 C ATOM 702 NH1 ARG A 768 -5.987 -6.308 10.482 1.00 1.00 N ATOM 703 NH2 ARG A 768 -4.093 -5.024 10.575 1.00 1.00 N ATOM 0 H ARG A 768 -3.511 -6.973 3.354 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.183 -5.746 3.544 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.391 -7.356 5.245 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.044 -6.299 5.618 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.598 -4.475 6.239 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.974 -5.452 5.769 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -7.053 -5.878 8.019 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.923 -7.145 7.584 1.00 1.00 H new ATOM 0 HE ARG A 768 -4.299 -4.935 8.100 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -6.723 -6.766 9.945 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -5.970 -6.392 11.498 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -3.361 -4.487 10.110 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -4.090 -5.117 11.591 1.00 1.00 H new ATOM 717 N HIS A 769 -5.203 -3.384 3.159 1.00 1.00 N ATOM 718 CA HIS A 769 -4.765 -1.995 3.157 1.00 1.00 C ATOM 719 C HIS A 769 -5.461 -1.315 4.322 1.00 1.00 C ATOM 720 O HIS A 769 -6.648 -1.561 4.559 1.00 1.00 O ATOM 721 CB HIS A 769 -5.148 -1.279 1.851 1.00 1.00 C ATOM 722 CG HIS A 769 -6.569 -1.513 1.397 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.717 -0.835 1.781 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.953 -2.566 0.614 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.764 -1.478 1.240 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.344 -2.535 0.521 1.00 1.00 N ATOM 0 H HIS A 769 -6.071 -3.546 2.648 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.679 -1.952 3.244 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -4.994 -0.208 1.981 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.470 -1.605 1.062 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.758 -0.001 2.367 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.298 -3.290 0.152 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.797 -1.188 1.364 1.00 1.00 H new ATOM 734 N ASP A 770 -4.761 -0.436 5.021 1.00 1.00 N ATOM 735 CA ASP A 770 -5.320 0.372 6.094 1.00 1.00 C ATOM 736 C ASP A 770 -4.420 1.576 6.324 1.00 1.00 C ATOM 737 O ASP A 770 -3.257 1.572 5.926 1.00 1.00 O ATOM 738 CB ASP A 770 -5.428 -0.476 7.369 1.00 1.00 C ATOM 739 CG ASP A 770 -6.158 0.236 8.508 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.000 1.129 8.246 1.00 1.00 O ATOM 741 OD2 ASP A 770 -5.942 -0.155 9.676 1.00 1.00 O ATOM 0 H ASP A 770 -3.770 -0.261 4.856 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.317 0.720 5.825 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.950 -1.404 7.137 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.426 -0.748 7.702 1.00 1.00 H new ATOM 746 N SER A 771 -4.934 2.616 6.959 1.00 1.00 N ATOM 747 CA SER A 771 -4.141 3.772 7.333 1.00 1.00 C ATOM 748 C SER A 771 -3.665 3.544 8.764 1.00 1.00 C ATOM 749 O SER A 771 -4.237 2.741 9.510 1.00 1.00 O ATOM 750 CB SER A 771 -4.981 5.034 7.199 1.00 1.00 C ATOM 751 OG SER A 771 -5.561 5.096 5.905 1.00 1.00 O ATOM 0 H SER A 771 -5.915 2.681 7.230 1.00 1.00 H new ATOM 0 HA SER A 771 -3.276 3.901 6.682 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.763 5.042 7.958 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.361 5.914 7.371 1.00 1.00 H new ATOM 0 HG SER A 771 -6.101 5.910 5.827 1.00 1.00 H new ATOM 757 N SER A 772 -2.573 4.182 9.147 1.00 1.00 N ATOM 758 CA SER A 772 -2.002 4.080 10.483 1.00 1.00 C ATOM 759 C SER A 772 -1.357 5.404 10.886 1.00 1.00 C ATOM 760 O SER A 772 -1.211 6.317 10.064 1.00 1.00 O ATOM 761 CB SER A 772 -1.059 2.875 10.534 1.00 1.00 C ATOM 762 OG SER A 772 -1.822 1.679 10.529 1.00 1.00 O ATOM 0 H SER A 772 -2.046 4.798 8.528 1.00 1.00 H new ATOM 0 HA SER A 772 -2.778 3.900 11.227 1.00 1.00 H new ATOM 0 HB2 SER A 772 -0.383 2.892 9.679 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.440 2.921 11.430 1.00 1.00 H new ATOM 0 HG SER A 772 -2.737 1.876 10.239 1.00 1.00 H new ATOM 768 N GLY A 773 -1.047 5.537 12.171 1.00 1.00 N ATOM 769 CA GLY A 773 -0.348 6.661 12.767 1.00 1.00 C ATOM 770 C GLY A 773 -1.044 7.099 14.049 1.00 1.00 C ATOM 771 O GLY A 773 -2.122 6.595 14.381 1.00 1.00 O ATOM 0 H GLY A 773 -1.291 4.824 12.858 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.684 6.383 12.982 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.314 7.492 12.062 1.00 1.00 H new ATOM 775 N GLU A 774 -0.438 8.021 14.793 1.00 1.00 N ATOM 776 CA GLU A 774 -1.031 8.605 15.988 1.00 1.00 C ATOM 777 C GLU A 774 -1.038 10.132 15.911 1.00 1.00 C ATOM 778 O GLU A 774 -2.118 10.722 15.821 1.00 1.00 O ATOM 779 CB GLU A 774 -0.300 8.049 17.207 1.00 1.00 C ATOM 780 CG GLU A 774 -0.893 8.531 18.534 1.00 1.00 C ATOM 781 CD GLU A 774 -0.049 7.996 19.684 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.103 6.755 19.772 1.00 1.00 O ATOM 783 OE2 GLU A 774 0.537 8.812 20.433 1.00 1.00 O ATOM 0 H GLU A 774 0.490 8.386 14.578 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.081 8.327 16.074 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.331 6.960 17.176 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.749 8.340 17.158 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -0.917 9.620 18.561 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -1.923 8.187 18.632 1.00 1.00 H new ATOM 790 N GLY A 775 0.135 10.771 15.921 1.00 1.00 N ATOM 791 CA GLY A 775 0.262 12.225 15.881 1.00 1.00 C ATOM 792 C GLY A 775 0.307 12.711 14.435 1.00 1.00 C ATOM 793 O GLY A 775 -0.345 12.136 13.559 1.00 1.00 O ATOM 0 H GLY A 775 1.031 10.285 15.958 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.578 12.685 16.401 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.167 12.533 16.404 1.00 1.00 H new ATOM 797 N LYS A 776 1.093 13.753 14.152 1.00 1.00 N ATOM 798 CA LYS A 776 1.336 14.275 12.801 1.00 1.00 C ATOM 799 C LYS A 776 2.248 13.335 11.995 1.00 1.00 C ATOM 800 O LYS A 776 3.148 13.785 11.282 1.00 1.00 O ATOM 801 CB LYS A 776 1.971 15.669 12.887 1.00 1.00 C ATOM 802 CG LYS A 776 1.103 16.758 13.521 1.00 1.00 C ATOM 803 CD LYS A 776 1.963 18.023 13.562 1.00 1.00 C ATOM 804 CE LYS A 776 1.132 19.269 13.835 1.00 1.00 C ATOM 805 NZ LYS A 776 2.009 20.427 14.084 1.00 1.00 N ATOM 0 H LYS A 776 1.592 14.272 14.874 1.00 1.00 H new ATOM 0 HA LYS A 776 0.377 14.341 12.286 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.897 15.591 13.457 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.242 15.987 11.880 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.197 16.922 12.937 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.788 16.469 14.524 1.00 1.00 H new ATOM 0 HD2 LYS A 776 2.725 17.919 14.335 1.00 1.00 H new ATOM 0 HD3 LYS A 776 2.486 18.137 12.612 1.00 1.00 H new ATOM 0 HE2 LYS A 776 0.482 19.474 12.985 1.00 1.00 H new ATOM 0 HE3 LYS A 776 0.486 19.102 14.697 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 1.428 21.269 14.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 2.612 20.235 14.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 2.607 20.595 13.250 1.00 1.00 H new ATOM 818 N ARG A 777 2.069 12.024 12.129 1.00 1.00 N ATOM 819 CA ARG A 777 2.786 10.984 11.421 1.00 1.00 C ATOM 820 C ARG A 777 1.788 9.946 10.931 1.00 1.00 C ATOM 821 O ARG A 777 1.848 8.789 11.350 1.00 1.00 O ATOM 822 CB ARG A 777 3.899 10.413 12.305 1.00 1.00 C ATOM 823 CG ARG A 777 5.083 11.379 12.430 1.00 1.00 C ATOM 824 CD ARG A 777 6.414 10.633 12.575 1.00 1.00 C ATOM 825 NE ARG A 777 6.774 9.898 11.344 1.00 1.00 N ATOM 826 CZ ARG A 777 7.998 9.742 10.830 1.00 1.00 C ATOM 827 NH1 ARG A 777 9.078 10.114 11.508 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.152 9.244 9.612 1.00 1.00 N ATOM 0 H ARG A 777 1.377 11.643 12.775 1.00 1.00 H new ATOM 0 HA ARG A 777 3.289 11.383 10.540 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.500 10.197 13.296 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.245 9.467 11.888 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.121 12.023 11.551 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.934 12.027 13.294 1.00 1.00 H new ATOM 0 HD2 ARG A 777 7.204 11.344 12.817 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.349 9.934 13.409 1.00 1.00 H new ATOM 0 HE ARG A 777 6.006 9.463 10.832 1.00 1.00 H new ATOM 0 HH11 ARG A 777 8.981 10.526 12.436 1.00 1.00 H new ATOM 0 HH12 ARG A 777 10.005 9.988 11.101 1.00 1.00 H new ATOM 0 HH21 ARG A 777 7.335 8.978 9.063 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.088 9.127 9.224 1.00 1.00 H new ATOM 842 N ARG A 778 0.818 10.372 10.121 1.00 1.00 N ATOM 843 CA ARG A 778 -0.125 9.457 9.485 1.00 1.00 C ATOM 844 C ARG A 778 0.629 8.833 8.315 1.00 1.00 C ATOM 845 O ARG A 778 1.558 9.456 7.795 1.00 1.00 O ATOM 846 CB ARG A 778 -1.389 10.216 9.034 1.00 1.00 C ATOM 847 CG ARG A 778 -2.361 9.381 8.176 1.00 1.00 C ATOM 848 CD ARG A 778 -3.757 10.016 8.166 1.00 1.00 C ATOM 849 NE ARG A 778 -4.613 9.486 7.090 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.854 9.913 6.819 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.505 10.738 7.627 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.462 9.508 5.718 1.00 1.00 N ATOM 0 H ARG A 778 0.666 11.354 9.890 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.475 8.682 10.166 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.918 10.573 9.917 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.087 11.096 8.466 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.982 9.307 7.157 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.420 8.366 8.569 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.239 9.841 9.128 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.660 11.095 8.050 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.233 8.739 6.509 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -6.062 11.067 8.485 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -7.449 11.044 7.391 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.987 8.872 5.077 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.407 9.831 5.509 1.00 1.00 H new ATOM 866 N PHE A 779 0.272 7.620 7.913 1.00 1.00 N ATOM 867 CA PHE A 779 0.810 6.925 6.750 1.00 1.00 C ATOM 868 C PHE A 779 -0.217 5.884 6.291 1.00 1.00 C ATOM 869 O PHE A 779 -1.291 5.739 6.890 1.00 1.00 O ATOM 870 CB PHE A 779 2.192 6.322 7.066 1.00 1.00 C ATOM 871 CG PHE A 779 2.251 5.541 8.355 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.502 6.224 9.554 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.024 4.156 8.367 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.487 5.539 10.775 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.033 3.468 9.589 1.00 1.00 C ATOM 876 CZ PHE A 779 2.245 4.158 10.796 1.00 1.00 C ATOM 0 H PHE A 779 -0.430 7.070 8.409 1.00 1.00 H new ATOM 0 HA PHE A 779 0.976 7.620 5.927 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.486 5.668 6.245 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.925 7.128 7.110 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.708 7.284 9.535 1.00 1.00 H new ATOM 0 HD2 PHE A 779 1.844 3.625 7.444 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.661 6.073 11.698 1.00 1.00 H new ATOM 0 HE2 PHE A 779 1.876 2.400 9.603 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.221 3.626 11.736 1.00 1.00 H new ATOM 886 N ILE A 780 0.119 5.164 5.225 1.00 1.00 N ATOM 887 CA ILE A 780 -0.620 4.059 4.638 1.00 1.00 C ATOM 888 C ILE A 780 0.143 2.768 4.915 1.00 1.00 C ATOM 889 O ILE A 780 1.370 2.738 4.966 1.00 1.00 O ATOM 890 CB ILE A 780 -0.973 4.385 3.159 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.500 3.200 2.311 1.00 1.00 C ATOM 892 CG2 ILE A 780 0.070 5.194 2.390 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.963 2.897 2.575 1.00 1.00 C ATOM 0 H ILE A 780 0.980 5.355 4.713 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.597 3.905 5.095 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.824 5.050 3.308 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.365 3.427 1.253 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -0.905 2.312 2.525 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.279 5.363 1.371 1.00 1.00 H new ATOM 0 HG22 ILE A 780 0.224 6.153 2.885 1.00 1.00 H new ATOM 0 HG23 ILE A 780 1.011 4.644 2.364 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.279 2.059 1.954 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.098 2.641 3.626 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.565 3.773 2.335 1.00 1.00 H new ATOM 905 N THR A 781 -0.586 1.686 5.127 1.00 1.00 N ATOM 906 CA THR A 781 -0.063 0.391 5.491 1.00 1.00 C ATOM 907 C THR A 781 -0.790 -0.628 4.636 1.00 1.00 C ATOM 908 O THR A 781 -1.993 -0.523 4.396 1.00 1.00 O ATOM 909 CB THR A 781 -0.327 0.158 6.991 1.00 1.00 C ATOM 910 OG1 THR A 781 0.383 1.107 7.766 1.00 1.00 O ATOM 911 CG2 THR A 781 0.060 -1.250 7.456 1.00 1.00 C ATOM 0 H THR A 781 -1.603 1.692 5.045 1.00 1.00 H new ATOM 0 HA THR A 781 1.011 0.313 5.324 1.00 1.00 H new ATOM 0 HB THR A 781 -1.402 0.271 7.134 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.206 0.950 8.717 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.150 -1.352 8.521 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.518 -1.988 6.900 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.123 -1.412 7.278 1.00 1.00 H new ATOM 919 N VAL A 782 -0.057 -1.619 4.156 1.00 1.00 N ATOM 920 CA VAL A 782 -0.618 -2.730 3.427 1.00 1.00 C ATOM 921 C VAL A 782 0.076 -3.960 3.992 1.00 1.00 C ATOM 922 O VAL A 782 1.280 -3.940 4.249 1.00 1.00 O ATOM 923 CB VAL A 782 -0.494 -2.570 1.900 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.519 -1.587 1.337 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.862 -2.067 1.438 1.00 1.00 C ATOM 0 H VAL A 782 0.956 -1.669 4.266 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.697 -2.806 3.560 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.659 -3.582 1.530 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.392 -1.508 0.257 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.525 -1.943 1.559 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.372 -0.608 1.792 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.868 -1.982 0.351 1.00 1.00 H new ATOM 0 HG22 VAL A 782 1.057 -1.090 1.880 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.636 -2.768 1.751 1.00 1.00 H new ATOM 935 N SER A 783 -0.681 -5.021 4.239 1.00 1.00 N ATOM 936 CA SER A 783 -0.138 -6.291 4.698 1.00 1.00 C ATOM 937 C SER A 783 -0.515 -7.378 3.719 1.00 1.00 C ATOM 938 O SER A 783 -1.587 -7.334 3.121 1.00 1.00 O ATOM 939 CB SER A 783 -0.620 -6.637 6.103 1.00 1.00 C ATOM 940 OG SER A 783 -0.334 -5.585 7.005 1.00 1.00 O ATOM 0 H SER A 783 -1.695 -5.024 4.126 1.00 1.00 H new ATOM 0 HA SER A 783 0.948 -6.206 4.747 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.693 -6.827 6.088 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.138 -7.554 6.442 1.00 1.00 H new ATOM 0 HG SER A 783 -0.653 -5.826 7.900 1.00 1.00 H new ATOM 946 N LYS A 784 0.366 -8.355 3.572 1.00 1.00 N ATOM 947 CA LYS A 784 0.202 -9.516 2.715 1.00 1.00 C ATOM 948 C LYS A 784 -0.593 -10.531 3.483 1.00 1.00 C ATOM 949 O LYS A 784 -0.086 -11.016 4.494 1.00 1.00 O ATOM 950 CB LYS A 784 1.580 -10.068 2.349 1.00 1.00 C ATOM 951 CG LYS A 784 2.191 -9.266 1.193 1.00 1.00 C ATOM 952 CD LYS A 784 2.108 -9.913 -0.199 1.00 1.00 C ATOM 953 CE LYS A 784 1.108 -11.063 -0.424 1.00 1.00 C ATOM 954 NZ LYS A 784 1.296 -11.709 -1.740 1.00 1.00 N ATOM 0 H LYS A 784 1.256 -8.359 4.071 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.317 -9.261 1.791 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.238 -10.025 3.217 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.494 -11.117 2.066 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.696 -8.296 1.150 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.240 -9.079 1.422 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.873 -9.126 -0.915 1.00 1.00 H new ATOM 0 HD3 LYS A 784 3.101 -10.285 -0.450 1.00 1.00 H new ATOM 0 HE2 LYS A 784 1.226 -11.806 0.365 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.091 -10.679 -0.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.699 -12.559 -1.798 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.027 -11.045 -2.494 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 2.294 -11.978 -1.855 1.00 1.00 H new ATOM 967 N ARG A 785 -1.815 -10.833 3.043 1.00 1.00 N ATOM 968 CA ARG A 785 -2.549 -11.892 3.703 1.00 1.00 C ATOM 969 C ARG A 785 -1.886 -13.169 3.205 1.00 1.00 C ATOM 970 O ARG A 785 -1.939 -13.427 2.000 1.00 1.00 O ATOM 971 CB ARG A 785 -4.040 -11.855 3.307 1.00 1.00 C ATOM 972 CG ARG A 785 -4.774 -10.524 3.554 1.00 1.00 C ATOM 973 CD ARG A 785 -6.057 -10.409 2.705 1.00 1.00 C ATOM 974 NE ARG A 785 -7.278 -10.879 3.382 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.746 -12.127 3.501 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.052 -13.191 3.104 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.950 -12.296 4.027 1.00 1.00 N ATOM 0 H ARG A 785 -2.294 -10.378 2.266 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.524 -11.805 4.789 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.120 -12.099 2.248 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.560 -12.640 3.855 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.029 -10.441 4.610 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.108 -9.693 3.320 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.195 -9.367 2.416 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -5.923 -10.980 1.786 1.00 1.00 H new ATOM 0 HE ARG A 785 -7.845 -10.153 3.820 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -6.127 -13.072 2.691 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -7.445 -14.126 3.213 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -9.493 -11.487 4.328 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.334 -13.235 4.131 1.00 1.00 H new ATOM 991 N ALA A 786 -1.210 -13.915 4.078 1.00 1.00 N ATOM 992 CA ALA A 786 -0.652 -15.206 3.720 1.00 1.00 C ATOM 993 C ALA A 786 -1.797 -16.178 3.958 1.00 1.00 C ATOM 994 O ALA A 786 -1.740 -16.981 4.916 1.00 1.00 O ATOM 995 CB ALA A 786 0.615 -15.496 4.541 1.00 1.00 C ATOM 0 H ALA A 786 -1.038 -13.639 5.045 1.00 1.00 H new ATOM 0 HA ALA A 786 -0.307 -15.274 2.688 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.018 -16.468 4.257 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.359 -14.724 4.346 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.367 -15.501 5.602 1.00 1.00 H new TER 1001 ALA A 786