USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 64 SER OG : rot 180:sc= 1.11 USER MOD Set 1.2: A 67 SER OG : rot 56:sc= 1.23 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.92 K(o=3,f=-3.2!) USER MOD Set 2.2: A 36 ASN : amide:sc= 1.09 K(o=3,f=0.97) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.87 (180deg=1.7) USER MOD Single : A 3 GLN : amide:sc= 2.11 K(o=2.1,f=-5.8!) USER MOD Single : A 4 TYR OH : rot -37:sc= 0.733 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.85 F(o=-2.6!,f=-1.9) USER MOD Single : A 23 MET CE :methyl -172:sc= 0 (180deg=-0.0687) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.803 (180deg=0.778) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 1.96 (180deg=1.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.739 K(o=0.74,f=-3.2!) USER MOD Single : A 54 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 55 SER OG : rot 77:sc= 1.8 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0537 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 12:sc= 0.494 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.526 K(o=0.53,f=-1.9!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.017) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.841 -0.248 -2.093 1.00 0.00 N ATOM 2 CA MET A 1 0.628 -0.149 -2.258 1.00 0.00 C ATOM 3 C MET A 1 1.221 -1.546 -2.419 1.00 0.00 C ATOM 4 O MET A 1 0.680 -2.517 -1.884 1.00 0.00 O ATOM 5 CB MET A 1 1.306 0.597 -1.089 1.00 0.00 C ATOM 6 CG MET A 1 1.255 2.125 -1.220 1.00 0.00 C ATOM 7 SD MET A 1 -0.387 2.879 -1.404 1.00 0.00 S ATOM 8 CE MET A 1 0.089 4.629 -1.393 1.00 0.00 C ATOM 0 H1 MET A 1 -1.216 0.666 -1.767 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.277 -0.496 -3.004 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.063 -0.984 -1.392 1.00 0.00 H new ATOM 0 HA MET A 1 0.821 0.438 -3.156 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.825 0.305 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.347 0.281 -1.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.730 2.557 -0.339 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.859 2.412 -2.081 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.801 5.249 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.587 4.865 -0.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.768 4.827 -2.223 1.00 0.00 H new ATOM 20 N LEU A 2 2.345 -1.655 -3.129 1.00 0.00 N ATOM 21 CA LEU A 2 3.125 -2.870 -3.348 1.00 0.00 C ATOM 22 C LEU A 2 4.600 -2.446 -3.492 1.00 0.00 C ATOM 23 O LEU A 2 4.922 -1.256 -3.397 1.00 0.00 O ATOM 24 CB LEU A 2 2.549 -3.593 -4.592 1.00 0.00 C ATOM 25 CG LEU A 2 3.129 -4.976 -4.961 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.056 -5.991 -3.811 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.379 -5.537 -6.173 1.00 0.00 C ATOM 0 H LEU A 2 2.759 -0.847 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 2 3.068 -3.579 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.476 -3.710 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.681 -2.936 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 2 4.184 -4.824 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.480 -6.941 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.621 -5.615 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.016 -6.138 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.788 -6.513 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.321 -5.640 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.493 -4.858 -7.018 1.00 0.00 H new ATOM 39 N GLN A 3 5.502 -3.405 -3.702 1.00 0.00 N ATOM 40 CA GLN A 3 6.938 -3.225 -3.855 1.00 0.00 C ATOM 41 C GLN A 3 7.421 -4.280 -4.859 1.00 0.00 C ATOM 42 O GLN A 3 6.864 -5.380 -4.918 1.00 0.00 O ATOM 43 CB GLN A 3 7.561 -3.412 -2.459 1.00 0.00 C ATOM 44 CG GLN A 3 9.092 -3.550 -2.349 1.00 0.00 C ATOM 45 CD GLN A 3 9.470 -4.102 -0.971 1.00 0.00 C ATOM 46 OE1 GLN A 3 8.828 -5.017 -0.462 1.00 0.00 O ATOM 47 NE2 GLN A 3 10.470 -3.573 -0.291 1.00 0.00 N ATOM 0 H GLN A 3 5.229 -4.385 -3.773 1.00 0.00 H new ATOM 0 HA GLN A 3 7.220 -2.242 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.260 -2.563 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.115 -4.301 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.463 -4.214 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.565 -2.580 -2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.016 -2.812 -0.696 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.697 -3.925 0.639 1.00 0.00 H new ATOM 56 N TYR A 4 8.463 -3.974 -5.634 1.00 0.00 N ATOM 57 CA TYR A 4 9.155 -4.947 -6.469 1.00 0.00 C ATOM 58 C TYR A 4 10.649 -4.645 -6.550 1.00 0.00 C ATOM 59 O TYR A 4 11.095 -3.542 -6.220 1.00 0.00 O ATOM 60 CB TYR A 4 8.504 -5.064 -7.864 1.00 0.00 C ATOM 61 CG TYR A 4 8.427 -3.840 -8.771 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.566 -3.070 -9.099 1.00 0.00 C ATOM 63 CD2 TYR A 4 7.208 -3.569 -9.425 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.501 -2.075 -10.088 1.00 0.00 C ATOM 65 CE2 TYR A 4 7.141 -2.588 -10.427 1.00 0.00 C ATOM 66 CZ TYR A 4 8.294 -1.858 -10.785 1.00 0.00 C ATOM 67 OH TYR A 4 8.249 -1.008 -11.846 1.00 0.00 O ATOM 0 H TYR A 4 8.851 -3.033 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 4 9.053 -5.923 -5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.042 -5.839 -8.410 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.486 -5.425 -7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.498 -3.249 -8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.320 -4.120 -9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.372 -1.478 -10.314 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.203 -2.391 -10.926 1.00 0.00 H new ATOM 0 HH TYR A 4 8.835 -0.241 -11.676 1.00 0.00 H new ATOM 77 N ARG A 5 11.403 -5.607 -7.081 1.00 0.00 N ATOM 78 CA ARG A 5 12.777 -5.458 -7.546 1.00 0.00 C ATOM 79 C ARG A 5 12.802 -6.041 -8.958 1.00 0.00 C ATOM 80 O ARG A 5 12.136 -7.046 -9.217 1.00 0.00 O ATOM 81 CB ARG A 5 13.717 -6.180 -6.565 1.00 0.00 C ATOM 82 CG ARG A 5 15.194 -5.753 -6.660 1.00 0.00 C ATOM 83 CD ARG A 5 15.960 -6.393 -5.490 1.00 0.00 C ATOM 84 NE ARG A 5 17.299 -5.812 -5.284 1.00 0.00 N ATOM 85 CZ ARG A 5 18.183 -6.202 -4.357 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.914 -7.207 -3.525 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.343 -5.566 -4.281 1.00 0.00 N ATOM 0 H ARG A 5 11.053 -6.557 -7.203 1.00 0.00 H new ATOM 0 HA ARG A 5 13.119 -4.424 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.366 -6.002 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.651 -7.253 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.620 -6.071 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.278 -4.667 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.377 -6.278 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.060 -7.463 -5.672 1.00 0.00 H new ATOM 0 HE ARG A 5 17.576 -5.048 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.021 -7.695 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.601 -7.488 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.546 -4.798 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.033 -5.845 -3.583 1.00 0.00 H new ATOM 101 N ILE A 6 13.506 -5.394 -9.879 1.00 0.00 N ATOM 102 CA ILE A 6 13.542 -5.726 -11.299 1.00 0.00 C ATOM 103 C ILE A 6 15.006 -5.695 -11.716 1.00 0.00 C ATOM 104 O ILE A 6 15.766 -4.849 -11.242 1.00 0.00 O ATOM 105 CB ILE A 6 12.647 -4.747 -12.110 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.172 -4.978 -11.719 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.826 -4.871 -13.638 1.00 0.00 C ATOM 108 CD1 ILE A 6 10.123 -4.209 -12.532 1.00 0.00 C ATOM 0 H ILE A 6 14.091 -4.591 -9.648 1.00 0.00 H new ATOM 0 HA ILE A 6 13.134 -6.717 -11.500 1.00 0.00 H new ATOM 0 HB ILE A 6 12.958 -3.734 -11.857 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.958 -6.043 -11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.051 -4.713 -10.668 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.171 -4.159 -14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.862 -4.659 -13.901 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.571 -5.883 -13.953 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.127 -4.454 -12.164 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.295 -3.138 -12.428 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.201 -4.488 -13.583 1.00 0.00 H new ATOM 120 N ILE A 7 15.392 -6.584 -12.626 1.00 0.00 N ATOM 121 CA ILE A 7 16.730 -6.670 -13.192 1.00 0.00 C ATOM 122 C ILE A 7 16.543 -6.583 -14.706 1.00 0.00 C ATOM 123 O ILE A 7 15.570 -7.134 -15.229 1.00 0.00 O ATOM 124 CB ILE A 7 17.429 -7.989 -12.775 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.281 -8.376 -11.282 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.914 -7.949 -13.172 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.937 -7.417 -10.283 1.00 0.00 C ATOM 0 H ILE A 7 14.757 -7.289 -13.002 1.00 0.00 H new ATOM 0 HA ILE A 7 17.374 -5.869 -12.829 1.00 0.00 H new ATOM 0 HB ILE A 7 16.905 -8.773 -13.321 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.219 -8.447 -11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.706 -9.369 -11.138 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.395 -8.881 -12.874 1.00 0.00 H new ATOM 0 HG22 ILE A 7 18.999 -7.826 -14.252 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.402 -7.112 -12.672 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.774 -7.781 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 7 19.007 -7.362 -10.481 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.497 -6.425 -10.388 1.00 0.00 H new ATOM 139 N VAL A 8 17.452 -5.916 -15.415 1.00 0.00 N ATOM 140 CA VAL A 8 17.349 -5.687 -16.852 1.00 0.00 C ATOM 141 C VAL A 8 18.727 -5.941 -17.465 1.00 0.00 C ATOM 142 O VAL A 8 19.746 -5.545 -16.890 1.00 0.00 O ATOM 143 CB VAL A 8 16.836 -4.252 -17.143 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.306 -4.155 -18.579 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.706 -3.773 -16.212 1.00 0.00 C ATOM 0 H VAL A 8 18.293 -5.514 -15.000 1.00 0.00 H new ATOM 0 HA VAL A 8 16.625 -6.367 -17.300 1.00 0.00 H new ATOM 0 HB VAL A 8 17.704 -3.614 -16.976 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.950 -3.142 -18.768 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.106 -4.395 -19.279 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.485 -4.859 -18.712 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.411 -2.761 -16.489 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.849 -4.440 -16.307 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.057 -3.779 -15.180 1.00 0.00 H new ATOM 155 N ASP A 9 18.758 -6.583 -18.634 1.00 0.00 N ATOM 156 CA ASP A 9 19.956 -6.875 -19.416 1.00 0.00 C ATOM 157 C ASP A 9 19.778 -6.292 -20.824 1.00 0.00 C ATOM 158 O ASP A 9 18.641 -6.121 -21.282 1.00 0.00 O ATOM 159 CB ASP A 9 20.161 -8.389 -19.557 1.00 0.00 C ATOM 160 CG ASP A 9 21.491 -8.716 -20.262 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.455 -7.925 -20.115 1.00 0.00 O ATOM 162 OD2 ASP A 9 21.594 -9.785 -20.903 1.00 0.00 O ATOM 0 H ASP A 9 17.908 -6.929 -19.080 1.00 0.00 H new ATOM 0 HA ASP A 9 20.816 -6.439 -18.908 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.148 -8.852 -18.570 1.00 0.00 H new ATOM 0 HB3 ASP A 9 19.334 -8.818 -20.122 1.00 0.00 H new ATOM 167 N GLY A 10 20.879 -6.009 -21.519 1.00 0.00 N ATOM 168 CA GLY A 10 20.890 -5.571 -22.908 1.00 0.00 C ATOM 169 C GLY A 10 21.844 -4.403 -23.103 1.00 0.00 C ATOM 170 O GLY A 10 22.718 -4.156 -22.266 1.00 0.00 O ATOM 0 H GLY A 10 21.813 -6.081 -21.116 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.187 -6.399 -23.552 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.884 -5.278 -23.209 1.00 0.00 H new ATOM 174 N ARG A 11 21.655 -3.641 -24.185 1.00 0.00 N ATOM 175 CA ARG A 11 22.191 -2.284 -24.258 1.00 0.00 C ATOM 176 C ARG A 11 21.328 -1.439 -23.330 1.00 0.00 C ATOM 177 O ARG A 11 20.399 -0.781 -23.787 1.00 0.00 O ATOM 178 CB ARG A 11 22.221 -1.756 -25.708 1.00 0.00 C ATOM 179 CG ARG A 11 22.921 -0.384 -25.774 1.00 0.00 C ATOM 180 CD ARG A 11 22.981 0.195 -27.192 1.00 0.00 C ATOM 181 NE ARG A 11 21.653 0.619 -27.681 1.00 0.00 N ATOM 182 CZ ARG A 11 20.996 0.146 -28.748 1.00 0.00 C ATOM 183 NH1 ARG A 11 21.471 -0.871 -29.462 1.00 0.00 N ATOM 184 NH2 ARG A 11 19.847 0.718 -29.084 1.00 0.00 N ATOM 0 H ARG A 11 21.140 -3.939 -25.013 1.00 0.00 H new ATOM 0 HA ARG A 11 23.233 -2.247 -23.939 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.743 -2.467 -26.349 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.204 -1.670 -26.090 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.396 0.316 -25.124 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.935 -0.481 -25.385 1.00 0.00 H new ATOM 0 HD2 ARG A 11 23.660 1.048 -27.205 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.394 -0.552 -27.870 1.00 0.00 H new ATOM 0 HE ARG A 11 21.185 1.352 -27.148 1.00 0.00 H new ATOM 0 HH11 ARG A 11 22.354 -1.309 -29.201 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.952 -1.213 -30.271 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.485 1.497 -28.534 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.325 0.378 -29.892 1.00 0.00 H new ATOM 198 N VAL A 12 21.587 -1.512 -22.030 1.00 0.00 N ATOM 199 CA VAL A 12 20.853 -0.783 -20.996 1.00 0.00 C ATOM 200 C VAL A 12 21.836 -0.041 -20.075 1.00 0.00 C ATOM 201 O VAL A 12 21.426 0.583 -19.100 1.00 0.00 O ATOM 202 CB VAL A 12 19.894 -1.740 -20.251 1.00 0.00 C ATOM 203 CG1 VAL A 12 18.817 -2.298 -21.194 1.00 0.00 C ATOM 204 CG2 VAL A 12 20.605 -2.920 -19.569 1.00 0.00 C ATOM 0 H VAL A 12 22.334 -2.095 -21.653 1.00 0.00 H new ATOM 0 HA VAL A 12 20.224 -0.016 -21.448 1.00 0.00 H new ATOM 0 HB VAL A 12 19.438 -1.129 -19.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.159 -2.967 -20.639 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.233 -1.475 -21.607 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.293 -2.848 -22.006 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.869 -3.548 -19.067 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.133 -3.509 -20.319 1.00 0.00 H new ATOM 0 HG23 VAL A 12 21.318 -2.541 -18.837 1.00 0.00 H new ATOM 214 N GLN A 13 23.134 -0.088 -20.394 1.00 0.00 N ATOM 215 CA GLN A 13 24.216 0.657 -19.764 1.00 0.00 C ATOM 216 C GLN A 13 25.134 1.101 -20.910 1.00 0.00 C ATOM 217 O GLN A 13 25.090 0.523 -22.001 1.00 0.00 O ATOM 218 CB GLN A 13 24.953 -0.212 -18.724 1.00 0.00 C ATOM 219 CG GLN A 13 23.992 -0.690 -17.626 1.00 0.00 C ATOM 220 CD GLN A 13 24.672 -1.393 -16.459 1.00 0.00 C ATOM 221 OE1 GLN A 13 24.981 -0.770 -15.444 1.00 0.00 O ATOM 222 NE2 GLN A 13 24.893 -2.694 -16.548 1.00 0.00 N ATOM 0 H GLN A 13 23.472 -0.687 -21.147 1.00 0.00 H new ATOM 0 HA GLN A 13 23.849 1.520 -19.208 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.404 -1.073 -19.218 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.766 0.360 -18.277 1.00 0.00 H new ATOM 0 HG2 GLN A 13 23.439 0.168 -17.245 1.00 0.00 H new ATOM 0 HG3 GLN A 13 23.263 -1.369 -18.068 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.632 -3.199 -17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.324 -3.192 -15.770 1.00 0.00 H new ATOM 231 N GLY A 14 25.913 2.165 -20.700 1.00 0.00 N ATOM 232 CA GLY A 14 26.505 2.918 -21.808 1.00 0.00 C ATOM 233 C GLY A 14 25.446 3.724 -22.580 1.00 0.00 C ATOM 234 O GLY A 14 25.711 4.193 -23.689 1.00 0.00 O ATOM 0 H GLY A 14 26.148 2.524 -19.775 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.267 3.595 -21.422 1.00 0.00 H new ATOM 0 HA3 GLY A 14 27.006 2.230 -22.489 1.00 0.00 H new ATOM 238 N VAL A 15 24.258 3.891 -21.992 1.00 0.00 N ATOM 239 CA VAL A 15 23.129 4.694 -22.452 1.00 0.00 C ATOM 240 C VAL A 15 22.519 5.309 -21.183 1.00 0.00 C ATOM 241 O VAL A 15 22.736 4.791 -20.082 1.00 0.00 O ATOM 242 CB VAL A 15 22.106 3.835 -23.241 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.609 3.496 -24.651 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.720 2.521 -22.538 1.00 0.00 C ATOM 0 H VAL A 15 24.047 3.428 -21.108 1.00 0.00 H new ATOM 0 HA VAL A 15 23.441 5.471 -23.150 1.00 0.00 H new ATOM 0 HB VAL A 15 21.217 4.464 -23.297 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.862 2.894 -25.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.781 4.417 -25.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.541 2.936 -24.580 1.00 0.00 H new ATOM 0 HG21 VAL A 15 21.002 1.977 -23.152 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.611 1.910 -22.395 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.273 2.744 -21.569 1.00 0.00 H new ATOM 254 N GLY A 16 21.742 6.388 -21.310 1.00 0.00 N ATOM 255 CA GLY A 16 21.226 7.161 -20.178 1.00 0.00 C ATOM 256 C GLY A 16 20.070 6.489 -19.431 1.00 0.00 C ATOM 257 O GLY A 16 19.258 7.182 -18.817 1.00 0.00 O ATOM 0 H GLY A 16 21.450 6.754 -22.216 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.040 7.343 -19.476 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.893 8.134 -20.539 1.00 0.00 H new ATOM 261 N PHE A 17 19.947 5.161 -19.496 1.00 0.00 N ATOM 262 CA PHE A 17 18.788 4.439 -18.987 1.00 0.00 C ATOM 263 C PHE A 17 18.584 4.647 -17.486 1.00 0.00 C ATOM 264 O PHE A 17 17.444 4.772 -17.052 1.00 0.00 O ATOM 265 CB PHE A 17 18.904 2.949 -19.327 1.00 0.00 C ATOM 266 CG PHE A 17 17.706 2.102 -18.921 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.395 2.536 -19.194 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.899 0.875 -18.259 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.292 1.761 -18.807 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.797 0.082 -17.893 1.00 0.00 C ATOM 271 CZ PHE A 17 15.490 0.522 -18.171 1.00 0.00 C ATOM 0 H PHE A 17 20.657 4.555 -19.908 1.00 0.00 H new ATOM 0 HA PHE A 17 17.905 4.847 -19.479 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.054 2.848 -20.402 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.794 2.549 -18.841 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.237 3.474 -19.706 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.900 0.540 -18.031 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.290 2.116 -18.997 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.954 -0.865 -17.398 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.642 -0.089 -17.897 1.00 0.00 H new ATOM 281 N ARG A 18 19.651 4.759 -16.684 1.00 0.00 N ATOM 282 CA ARG A 18 19.493 5.000 -15.243 1.00 0.00 C ATOM 283 C ARG A 18 18.733 6.308 -15.000 1.00 0.00 C ATOM 284 O ARG A 18 17.859 6.355 -14.135 1.00 0.00 O ATOM 285 CB ARG A 18 20.849 5.000 -14.514 1.00 0.00 C ATOM 286 CG ARG A 18 21.662 3.712 -14.741 1.00 0.00 C ATOM 287 CD ARG A 18 22.926 3.692 -13.870 1.00 0.00 C ATOM 288 NE ARG A 18 23.891 2.675 -14.345 1.00 0.00 N ATOM 289 CZ ARG A 18 25.129 2.905 -14.813 1.00 0.00 C ATOM 290 NH1 ARG A 18 25.626 4.139 -14.870 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.875 1.890 -15.233 1.00 0.00 N ATOM 0 H ARG A 18 20.618 4.688 -17.001 1.00 0.00 H new ATOM 0 HA ARG A 18 18.907 4.179 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.435 5.855 -14.851 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.679 5.131 -13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.045 2.844 -14.510 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.940 3.635 -15.792 1.00 0.00 H new ATOM 0 HD2 ARG A 18 23.395 4.676 -13.884 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.654 3.483 -12.835 1.00 0.00 H new ATOM 0 HE ARG A 18 23.585 1.702 -14.314 1.00 0.00 H new ATOM 0 HH11 ARG A 18 25.064 4.930 -14.555 1.00 0.00 H new ATOM 0 HH12 ARG A 18 26.568 4.293 -15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.508 0.939 -15.200 1.00 0.00 H new ATOM 0 HH22 ARG A 18 26.815 2.061 -15.589 1.00 0.00 H new ATOM 305 N TYR A 19 19.010 7.348 -15.790 1.00 0.00 N ATOM 306 CA TYR A 19 18.300 8.619 -15.702 1.00 0.00 C ATOM 307 C TYR A 19 16.876 8.482 -16.246 1.00 0.00 C ATOM 308 O TYR A 19 15.958 9.060 -15.667 1.00 0.00 O ATOM 309 CB TYR A 19 19.068 9.717 -16.452 1.00 0.00 C ATOM 310 CG TYR A 19 20.497 9.901 -15.971 1.00 0.00 C ATOM 311 CD1 TYR A 19 20.750 10.562 -14.754 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.570 9.388 -16.725 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.069 10.704 -14.285 1.00 0.00 C ATOM 314 CE2 TYR A 19 22.892 9.524 -16.263 1.00 0.00 C ATOM 315 CZ TYR A 19 23.147 10.182 -15.037 1.00 0.00 C ATOM 316 OH TYR A 19 24.420 10.323 -14.570 1.00 0.00 O ATOM 0 H TYR A 19 19.734 7.329 -16.508 1.00 0.00 H new ATOM 0 HA TYR A 19 18.234 8.905 -14.652 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.080 9.478 -17.515 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.533 10.661 -16.344 1.00 0.00 H new ATOM 0 HD1 TYR A 19 19.928 10.962 -14.178 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.377 8.888 -17.663 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.258 11.212 -13.351 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.711 9.126 -16.844 1.00 0.00 H new ATOM 0 HH TYR A 19 25.047 9.910 -15.200 1.00 0.00 H new ATOM 326 N PHE A 20 16.661 7.695 -17.310 1.00 0.00 N ATOM 327 CA PHE A 20 15.321 7.421 -17.831 1.00 0.00 C ATOM 328 C PHE A 20 14.448 6.826 -16.725 1.00 0.00 C ATOM 329 O PHE A 20 13.383 7.361 -16.418 1.00 0.00 O ATOM 330 CB PHE A 20 15.393 6.482 -19.048 1.00 0.00 C ATOM 331 CG PHE A 20 14.078 6.298 -19.779 1.00 0.00 C ATOM 332 CD1 PHE A 20 13.663 7.242 -20.739 1.00 0.00 C ATOM 333 CD2 PHE A 20 13.277 5.167 -19.521 1.00 0.00 C ATOM 334 CE1 PHE A 20 12.456 7.054 -21.436 1.00 0.00 C ATOM 335 CE2 PHE A 20 12.075 4.978 -20.225 1.00 0.00 C ATOM 336 CZ PHE A 20 11.664 5.920 -21.183 1.00 0.00 C ATOM 0 H PHE A 20 17.409 7.234 -17.829 1.00 0.00 H new ATOM 0 HA PHE A 20 14.870 8.356 -18.163 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.132 6.872 -19.748 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.750 5.507 -18.718 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.272 8.111 -20.940 1.00 0.00 H new ATOM 0 HD2 PHE A 20 13.587 4.444 -18.781 1.00 0.00 H new ATOM 0 HE1 PHE A 20 12.137 7.782 -22.167 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.467 4.107 -20.029 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.741 5.773 -21.724 1.00 0.00 H new ATOM 346 N VAL A 21 14.930 5.767 -16.071 1.00 0.00 N ATOM 347 CA VAL A 21 14.241 5.114 -14.967 1.00 0.00 C ATOM 348 C VAL A 21 14.027 6.113 -13.822 1.00 0.00 C ATOM 349 O VAL A 21 12.930 6.163 -13.268 1.00 0.00 O ATOM 350 CB VAL A 21 15.045 3.867 -14.538 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.433 3.157 -13.330 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.112 2.824 -15.663 1.00 0.00 C ATOM 0 H VAL A 21 15.825 5.336 -16.301 1.00 0.00 H new ATOM 0 HA VAL A 21 13.252 4.776 -15.275 1.00 0.00 H new ATOM 0 HB VAL A 21 16.036 4.247 -14.289 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.039 2.288 -13.073 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.402 3.842 -12.483 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.421 2.834 -13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.685 1.961 -15.325 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.103 2.508 -15.927 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.596 3.261 -16.536 1.00 0.00 H new ATOM 362 N GLN A 22 15.032 6.935 -13.489 1.00 0.00 N ATOM 363 CA GLN A 22 14.921 7.924 -12.422 1.00 0.00 C ATOM 364 C GLN A 22 13.735 8.859 -12.666 1.00 0.00 C ATOM 365 O GLN A 22 12.919 9.083 -11.772 1.00 0.00 O ATOM 366 CB GLN A 22 16.237 8.725 -12.309 1.00 0.00 C ATOM 367 CG GLN A 22 16.317 9.573 -11.025 1.00 0.00 C ATOM 368 CD GLN A 22 16.442 8.745 -9.749 1.00 0.00 C ATOM 369 OE1 GLN A 22 16.842 7.489 -9.863 1.00 0.00 O flip ATOM 370 NE2 GLN A 22 16.162 9.219 -8.657 1.00 0.00 N flip ATOM 0 H GLN A 22 15.940 6.929 -13.954 1.00 0.00 H new ATOM 0 HA GLN A 22 14.745 7.404 -11.481 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.080 8.034 -12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.334 9.378 -13.176 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.172 10.245 -11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.426 10.197 -10.957 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.855 10.189 -8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.235 8.644 -7.818 1.00 0.00 H new ATOM 379 N MET A 23 13.639 9.398 -13.878 1.00 0.00 N ATOM 380 CA MET A 23 12.650 10.411 -14.203 1.00 0.00 C ATOM 381 C MET A 23 11.270 9.776 -14.365 1.00 0.00 C ATOM 382 O MET A 23 10.277 10.373 -13.950 1.00 0.00 O ATOM 383 CB MET A 23 13.107 11.167 -15.456 1.00 0.00 C ATOM 384 CG MET A 23 14.405 11.947 -15.170 1.00 0.00 C ATOM 385 SD MET A 23 14.261 13.338 -14.007 1.00 0.00 S ATOM 386 CE MET A 23 13.257 14.497 -14.978 1.00 0.00 C ATOM 0 H MET A 23 14.245 9.143 -14.658 1.00 0.00 H new ATOM 0 HA MET A 23 12.562 11.132 -13.390 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.270 10.464 -16.273 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.325 11.855 -15.779 1.00 0.00 H new ATOM 0 HG2 MET A 23 15.146 11.249 -14.780 1.00 0.00 H new ATOM 0 HG3 MET A 23 14.792 12.328 -16.115 1.00 0.00 H new ATOM 0 HE1 MET A 23 13.202 15.454 -14.459 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.713 14.641 -15.957 1.00 0.00 H new ATOM 0 HE3 MET A 23 12.252 14.093 -15.102 1.00 0.00 H new ATOM 396 N GLU A 24 11.192 8.550 -14.892 1.00 0.00 N ATOM 397 CA GLU A 24 9.936 7.815 -14.992 1.00 0.00 C ATOM 398 C GLU A 24 9.398 7.430 -13.607 1.00 0.00 C ATOM 399 O GLU A 24 8.180 7.398 -13.428 1.00 0.00 O ATOM 400 CB GLU A 24 10.102 6.586 -15.904 1.00 0.00 C ATOM 401 CG GLU A 24 10.227 6.948 -17.395 1.00 0.00 C ATOM 402 CD GLU A 24 8.948 7.603 -17.936 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.000 6.885 -18.324 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.845 8.851 -17.922 1.00 0.00 O ATOM 0 H GLU A 24 11.998 8.044 -15.259 1.00 0.00 H new ATOM 0 HA GLU A 24 9.193 8.470 -15.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.988 6.031 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.247 5.923 -15.768 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.069 7.626 -17.534 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.445 6.048 -17.970 1.00 0.00 H new ATOM 411 N ALA A 25 10.264 7.190 -12.615 1.00 0.00 N ATOM 412 CA ALA A 25 9.835 6.983 -11.236 1.00 0.00 C ATOM 413 C ALA A 25 9.353 8.297 -10.623 1.00 0.00 C ATOM 414 O ALA A 25 8.318 8.323 -9.957 1.00 0.00 O ATOM 415 CB ALA A 25 10.989 6.438 -10.393 1.00 0.00 C ATOM 0 H ALA A 25 11.274 7.135 -12.749 1.00 0.00 H new ATOM 0 HA ALA A 25 9.017 6.263 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.652 6.289 -9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.324 5.487 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.815 7.149 -10.404 1.00 0.00 H new ATOM 421 N ASP A 26 10.101 9.385 -10.842 1.00 0.00 N ATOM 422 CA ASP A 26 9.825 10.689 -10.243 1.00 0.00 C ATOM 423 C ASP A 26 8.513 11.281 -10.753 1.00 0.00 C ATOM 424 O ASP A 26 7.709 11.757 -9.949 1.00 0.00 O ATOM 425 CB ASP A 26 10.975 11.666 -10.513 1.00 0.00 C ATOM 426 CG ASP A 26 10.614 13.075 -10.017 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.348 13.246 -8.806 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.568 14.014 -10.840 1.00 0.00 O ATOM 0 H ASP A 26 10.922 9.381 -11.447 1.00 0.00 H new ATOM 0 HA ASP A 26 9.732 10.534 -9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.879 11.319 -10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.192 11.695 -11.581 1.00 0.00 H new ATOM 433 N LYS A 27 8.229 11.201 -12.058 1.00 0.00 N ATOM 434 CA LYS A 27 6.948 11.670 -12.596 1.00 0.00 C ATOM 435 C LYS A 27 5.763 10.868 -12.051 1.00 0.00 C ATOM 436 O LYS A 27 4.628 11.340 -12.117 1.00 0.00 O ATOM 437 CB LYS A 27 6.984 11.755 -14.136 1.00 0.00 C ATOM 438 CG LYS A 27 7.014 10.421 -14.904 1.00 0.00 C ATOM 439 CD LYS A 27 5.626 9.816 -15.187 1.00 0.00 C ATOM 440 CE LYS A 27 5.718 8.523 -16.011 1.00 0.00 C ATOM 441 NZ LYS A 27 6.125 8.763 -17.416 1.00 0.00 N ATOM 0 H LYS A 27 8.865 10.818 -12.757 1.00 0.00 H new ATOM 0 HA LYS A 27 6.789 12.688 -12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.110 12.317 -14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.862 12.333 -14.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.530 10.573 -15.852 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.601 9.701 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.122 9.609 -14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.016 10.544 -15.722 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.434 7.848 -15.541 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.751 8.021 -15.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.203 7.854 -17.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.413 9.356 -17.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.045 9.248 -17.433 1.00 0.00 H new ATOM 455 N ARG A 28 6.013 9.676 -11.497 1.00 0.00 N ATOM 456 CA ARG A 28 5.008 8.812 -10.881 1.00 0.00 C ATOM 457 C ARG A 28 5.110 8.839 -9.347 1.00 0.00 C ATOM 458 O ARG A 28 4.370 8.114 -8.686 1.00 0.00 O ATOM 459 CB ARG A 28 5.177 7.389 -11.461 1.00 0.00 C ATOM 460 CG ARG A 28 3.852 6.651 -11.696 1.00 0.00 C ATOM 461 CD ARG A 28 3.072 7.236 -12.884 1.00 0.00 C ATOM 462 NE ARG A 28 1.944 6.371 -13.286 1.00 0.00 N ATOM 463 CZ ARG A 28 0.772 6.211 -12.656 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.463 6.926 -11.577 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.081 5.300 -13.106 1.00 0.00 N ATOM 0 H ARG A 28 6.951 9.277 -11.466 1.00 0.00 H new ATOM 0 HA ARG A 28 4.007 9.174 -11.114 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.718 7.454 -12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.793 6.801 -10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.052 5.595 -11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.240 6.709 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.695 8.224 -12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.746 7.369 -13.730 1.00 0.00 H new ATOM 0 HE ARG A 28 2.072 5.833 -14.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.124 7.612 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.435 6.788 -11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.160 4.734 -13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.977 5.165 -12.638 1.00 0.00 H new ATOM 479 N LYS A 29 6.006 9.666 -8.783 1.00 0.00 N ATOM 480 CA LYS A 29 6.347 9.766 -7.360 1.00 0.00 C ATOM 481 C LYS A 29 6.458 8.396 -6.677 1.00 0.00 C ATOM 482 O LYS A 29 5.988 8.213 -5.551 1.00 0.00 O ATOM 483 CB LYS A 29 5.401 10.763 -6.655 1.00 0.00 C ATOM 484 CG LYS A 29 5.588 12.216 -7.132 1.00 0.00 C ATOM 485 CD LYS A 29 6.865 12.867 -6.569 1.00 0.00 C ATOM 486 CE LYS A 29 7.103 14.255 -7.176 1.00 0.00 C ATOM 487 NZ LYS A 29 7.742 14.181 -8.511 1.00 0.00 N ATOM 0 H LYS A 29 6.544 10.323 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 29 7.353 10.176 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.369 10.460 -6.829 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.570 10.716 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.626 12.234 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.722 12.806 -6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.784 12.952 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.723 12.227 -6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.152 14.781 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.733 14.840 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.524 15.044 -9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.772 14.094 -8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.379 13.353 -9.024 1.00 0.00 H new ATOM 501 N LEU A 30 7.084 7.427 -7.353 1.00 0.00 N ATOM 502 CA LEU A 30 7.506 6.181 -6.711 1.00 0.00 C ATOM 503 C LEU A 30 8.722 6.461 -5.821 1.00 0.00 C ATOM 504 O LEU A 30 9.375 7.499 -5.965 1.00 0.00 O ATOM 505 CB LEU A 30 7.826 5.118 -7.776 1.00 0.00 C ATOM 506 CG LEU A 30 6.571 4.571 -8.486 1.00 0.00 C ATOM 507 CD1 LEU A 30 6.996 3.647 -9.625 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.644 3.800 -7.540 1.00 0.00 C ATOM 0 H LEU A 30 7.309 7.483 -8.346 1.00 0.00 H new ATOM 0 HA LEU A 30 6.699 5.793 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.497 5.548 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.359 4.291 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 30 6.016 5.430 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.111 3.259 -10.128 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.604 4.204 -10.338 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.577 2.817 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.778 3.438 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.182 2.953 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.312 4.460 -6.738 1.00 0.00 H new ATOM 520 N ALA A 31 9.058 5.523 -4.931 1.00 0.00 N ATOM 521 CA ALA A 31 10.221 5.606 -4.052 1.00 0.00 C ATOM 522 C ALA A 31 11.028 4.312 -4.162 1.00 0.00 C ATOM 523 O ALA A 31 10.439 3.256 -4.398 1.00 0.00 O ATOM 524 CB ALA A 31 9.759 5.853 -2.613 1.00 0.00 C ATOM 0 H ALA A 31 8.516 4.669 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 31 10.860 6.437 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.628 5.915 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.201 6.788 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.119 5.032 -2.290 1.00 0.00 H new ATOM 530 N GLY A 32 12.359 4.388 -4.040 1.00 0.00 N ATOM 531 CA GLY A 32 13.242 3.257 -4.327 1.00 0.00 C ATOM 532 C GLY A 32 14.554 3.691 -4.990 1.00 0.00 C ATOM 533 O GLY A 32 14.992 4.830 -4.804 1.00 0.00 O ATOM 0 H GLY A 32 12.849 5.231 -3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.464 2.729 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.725 2.553 -4.979 1.00 0.00 H new ATOM 537 N TRP A 33 15.193 2.804 -5.759 1.00 0.00 N ATOM 538 CA TRP A 33 16.461 3.090 -6.426 1.00 0.00 C ATOM 539 C TRP A 33 16.536 2.495 -7.832 1.00 0.00 C ATOM 540 O TRP A 33 15.806 1.564 -8.174 1.00 0.00 O ATOM 541 CB TRP A 33 17.657 2.616 -5.574 1.00 0.00 C ATOM 542 CG TRP A 33 17.805 1.147 -5.254 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.161 0.156 -6.112 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.746 0.505 -3.939 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.286 -1.041 -5.432 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.103 -0.870 -4.083 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.479 0.957 -2.628 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.221 -1.739 -2.991 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.576 0.088 -1.523 1.00 0.00 C ATOM 550 CH2 TRP A 33 17.953 -1.256 -1.699 1.00 0.00 C ATOM 0 H TRP A 33 14.841 1.863 -5.935 1.00 0.00 H new ATOM 0 HA TRP A 33 16.514 4.173 -6.534 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.567 2.933 -6.083 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.618 3.154 -4.627 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.323 0.285 -7.172 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.488 -1.937 -5.876 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.195 1.987 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.514 -2.768 -3.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.359 0.457 -0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 33 18.036 -1.913 -0.846 1.00 0.00 H new ATOM 561 N VAL A 34 17.507 2.976 -8.609 1.00 0.00 N ATOM 562 CA VAL A 34 18.031 2.294 -9.790 1.00 0.00 C ATOM 563 C VAL A 34 19.556 2.320 -9.695 1.00 0.00 C ATOM 564 O VAL A 34 20.132 3.285 -9.185 1.00 0.00 O ATOM 565 CB VAL A 34 17.460 2.911 -11.087 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.640 4.434 -11.181 1.00 0.00 C ATOM 567 CG2 VAL A 34 18.054 2.266 -12.349 1.00 0.00 C ATOM 0 H VAL A 34 17.961 3.872 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 34 17.713 1.252 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 34 16.392 2.700 -11.034 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.215 4.794 -12.118 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.131 4.913 -10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.702 4.678 -11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.622 2.733 -13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.135 2.407 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.827 1.200 -12.354 1.00 0.00 H new ATOM 577 N LYS A 35 20.219 1.251 -10.138 1.00 0.00 N ATOM 578 CA LYS A 35 21.660 1.093 -9.990 1.00 0.00 C ATOM 579 C LYS A 35 22.240 0.142 -11.028 1.00 0.00 C ATOM 580 O LYS A 35 21.526 -0.690 -11.589 1.00 0.00 O ATOM 581 CB LYS A 35 21.963 0.603 -8.563 1.00 0.00 C ATOM 582 CG LYS A 35 21.369 -0.774 -8.196 1.00 0.00 C ATOM 583 CD LYS A 35 21.525 -1.113 -6.706 1.00 0.00 C ATOM 584 CE LYS A 35 22.964 -0.923 -6.226 1.00 0.00 C ATOM 585 NZ LYS A 35 23.173 -1.352 -4.823 1.00 0.00 N ATOM 0 H LYS A 35 19.766 0.469 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 35 22.136 2.059 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.044 0.559 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.587 1.342 -7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.311 -0.790 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.857 -1.545 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.860 -0.481 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.218 -2.145 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.634 -1.487 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.236 0.128 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.167 -1.198 -4.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.557 -0.797 -4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.942 -2.362 -4.731 1.00 0.00 H new ATOM 599 N ASN A 36 23.556 0.225 -11.236 1.00 0.00 N ATOM 600 CA ASN A 36 24.327 -0.872 -11.822 1.00 0.00 C ATOM 601 C ASN A 36 24.285 -2.063 -10.859 1.00 0.00 C ATOM 602 O ASN A 36 24.318 -1.865 -9.642 1.00 0.00 O ATOM 603 CB ASN A 36 25.788 -0.431 -12.022 1.00 0.00 C ATOM 604 CG ASN A 36 26.695 -1.615 -12.356 1.00 0.00 C ATOM 605 OD1 ASN A 36 27.425 -2.113 -11.506 1.00 0.00 O ATOM 606 ND2 ASN A 36 26.641 -2.112 -13.578 1.00 0.00 N ATOM 0 H ASN A 36 24.113 1.048 -11.005 1.00 0.00 H new ATOM 0 HA ASN A 36 23.903 -1.150 -12.787 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.839 0.305 -12.825 1.00 0.00 H new ATOM 0 HB3 ASN A 36 26.147 0.059 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 36 27.211 -2.921 -13.825 1.00 0.00 H new ATOM 0 HD22 ASN A 36 26.029 -1.687 -14.275 1.00 0.00 H new ATOM 668 N ARG A 41 24.256 -5.948 -15.064 1.00 0.00 N ATOM 669 CA ARG A 41 22.850 -5.636 -15.314 1.00 0.00 C ATOM 670 C ARG A 41 22.534 -4.247 -14.779 1.00 0.00 C ATOM 671 O ARG A 41 23.363 -3.636 -14.096 1.00 0.00 O ATOM 672 CB ARG A 41 21.955 -6.670 -14.602 1.00 0.00 C ATOM 673 CG ARG A 41 22.223 -8.150 -14.901 1.00 0.00 C ATOM 674 CD ARG A 41 21.784 -8.653 -16.275 1.00 0.00 C ATOM 675 NE ARG A 41 22.790 -8.466 -17.331 1.00 0.00 N ATOM 676 CZ ARG A 41 23.893 -9.194 -17.539 1.00 0.00 C ATOM 677 NH1 ARG A 41 24.349 -10.063 -16.644 1.00 0.00 N ATOM 678 NH2 ARG A 41 24.531 -9.040 -18.690 1.00 0.00 N ATOM 0 HA ARG A 41 22.661 -5.667 -16.387 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.053 -6.519 -13.527 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.918 -6.455 -14.861 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.292 -8.332 -14.796 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.721 -8.749 -14.141 1.00 0.00 H new ATOM 0 HD2 ARG A 41 21.542 -9.713 -16.202 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.869 -8.136 -16.564 1.00 0.00 H new ATOM 0 HE ARG A 41 22.629 -7.694 -17.978 1.00 0.00 H new ATOM 0 HH11 ARG A 41 23.854 -10.193 -15.762 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.194 -10.600 -16.839 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.178 -8.382 -19.385 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.375 -9.579 -18.881 1.00 0.00 H new ATOM 692 N VAL A 42 21.313 -3.790 -15.024 1.00 0.00 N ATOM 693 CA VAL A 42 20.715 -2.719 -14.241 1.00 0.00 C ATOM 694 C VAL A 42 19.796 -3.418 -13.248 1.00 0.00 C ATOM 695 O VAL A 42 19.187 -4.441 -13.571 1.00 0.00 O ATOM 696 CB VAL A 42 19.984 -1.719 -15.161 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.267 -0.596 -14.395 1.00 0.00 C ATOM 698 CG2 VAL A 42 20.998 -1.059 -16.099 1.00 0.00 C ATOM 0 H VAL A 42 20.713 -4.149 -15.767 1.00 0.00 H new ATOM 0 HA VAL A 42 21.450 -2.116 -13.709 1.00 0.00 H new ATOM 0 HB VAL A 42 19.233 -2.295 -15.702 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.774 0.070 -15.103 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.523 -1.029 -13.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 19.994 -0.032 -13.811 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.484 -0.352 -16.750 1.00 0.00 H new ATOM 0 HG22 VAL A 42 21.748 -0.531 -15.510 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.484 -1.823 -16.705 1.00 0.00 H new ATOM 708 N GLU A 43 19.681 -2.856 -12.053 1.00 0.00 N ATOM 709 CA GLU A 43 18.740 -3.264 -11.031 1.00 0.00 C ATOM 710 C GLU A 43 17.913 -2.032 -10.697 1.00 0.00 C ATOM 711 O GLU A 43 18.440 -0.923 -10.602 1.00 0.00 O ATOM 712 CB GLU A 43 19.506 -3.782 -9.808 1.00 0.00 C ATOM 713 CG GLU A 43 18.602 -4.021 -8.589 1.00 0.00 C ATOM 714 CD GLU A 43 19.402 -4.292 -7.320 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.320 -5.140 -7.328 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.043 -3.701 -6.275 1.00 0.00 O ATOM 0 H GLU A 43 20.266 -2.073 -11.762 1.00 0.00 H new ATOM 0 HA GLU A 43 18.090 -4.073 -11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.008 -4.714 -10.069 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.283 -3.065 -9.542 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.965 -3.150 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.943 -4.866 -8.788 1.00 0.00 H new ATOM 723 N ILE A 44 16.617 -2.238 -10.503 1.00 0.00 N ATOM 724 CA ILE A 44 15.647 -1.227 -10.143 1.00 0.00 C ATOM 725 C ILE A 44 14.888 -1.821 -8.958 1.00 0.00 C ATOM 726 O ILE A 44 14.651 -3.030 -8.909 1.00 0.00 O ATOM 727 CB ILE A 44 14.728 -0.960 -11.357 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.516 -0.690 -12.665 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.764 0.206 -11.073 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.692 -1.040 -13.894 1.00 0.00 C ATOM 0 H ILE A 44 16.199 -3.163 -10.599 1.00 0.00 H new ATOM 0 HA ILE A 44 16.088 -0.268 -9.872 1.00 0.00 H new ATOM 0 HB ILE A 44 14.154 -1.874 -11.509 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.805 0.360 -12.707 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.436 -1.274 -12.664 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.129 0.373 -11.943 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.143 -0.037 -10.211 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.337 1.109 -10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.275 -0.838 -14.793 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.425 -2.096 -13.864 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.784 -0.437 -13.907 1.00 0.00 H new ATOM 742 N LEU A 45 14.485 -0.996 -8.004 1.00 0.00 N ATOM 743 CA LEU A 45 13.689 -1.403 -6.858 1.00 0.00 C ATOM 744 C LEU A 45 12.737 -0.248 -6.621 1.00 0.00 C ATOM 745 O LEU A 45 13.189 0.895 -6.570 1.00 0.00 O ATOM 746 CB LEU A 45 14.624 -1.673 -5.666 1.00 0.00 C ATOM 747 CG LEU A 45 14.007 -2.542 -4.554 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.115 -2.919 -3.569 1.00 0.00 C ATOM 749 CD2 LEU A 45 12.875 -1.862 -3.775 1.00 0.00 C ATOM 0 H LEU A 45 14.708 -0.001 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 45 13.128 -2.325 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.527 -2.161 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.929 -0.719 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 45 13.566 -3.410 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.699 -3.535 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.892 -3.477 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.545 -2.013 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.498 -2.543 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.253 -0.957 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.068 -1.601 -4.460 1.00 0.00 H new ATOM 761 N ALA A 46 11.436 -0.516 -6.525 1.00 0.00 N ATOM 762 CA ALA A 46 10.431 0.520 -6.366 1.00 0.00 C ATOM 763 C ALA A 46 9.342 0.042 -5.417 1.00 0.00 C ATOM 764 O ALA A 46 9.079 -1.156 -5.297 1.00 0.00 O ATOM 765 CB ALA A 46 9.845 0.892 -7.730 1.00 0.00 C ATOM 0 H ALA A 46 11.054 -1.461 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 46 10.892 1.410 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.092 1.670 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.640 1.259 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.386 0.012 -8.181 1.00 0.00 H new ATOM 771 N GLU A 47 8.700 1.000 -4.763 1.00 0.00 N ATOM 772 CA GLU A 47 7.628 0.814 -3.808 1.00 0.00 C ATOM 773 C GLU A 47 6.650 1.970 -4.013 1.00 0.00 C ATOM 774 O GLU A 47 7.081 3.104 -4.268 1.00 0.00 O ATOM 775 CB GLU A 47 8.257 0.780 -2.406 1.00 0.00 C ATOM 776 CG GLU A 47 7.267 0.478 -1.277 1.00 0.00 C ATOM 777 CD GLU A 47 6.935 1.710 -0.423 1.00 0.00 C ATOM 778 OE1 GLU A 47 5.990 2.457 -0.758 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.618 1.903 0.607 1.00 0.00 O ATOM 0 H GLU A 47 8.931 1.985 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 47 7.077 -0.118 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.045 0.028 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.731 1.742 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.347 0.081 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.682 -0.300 -0.636 1.00 0.00 H new ATOM 786 N GLY A 48 5.346 1.685 -3.961 1.00 0.00 N ATOM 787 CA GLY A 48 4.314 2.689 -4.192 1.00 0.00 C ATOM 788 C GLY A 48 2.979 2.050 -4.563 1.00 0.00 C ATOM 789 O GLY A 48 2.811 0.844 -4.366 1.00 0.00 O ATOM 0 H GLY A 48 4.981 0.754 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.190 3.297 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.631 3.360 -4.991 1.00 0.00 H new ATOM 793 N PRO A 49 2.000 2.831 -5.052 1.00 0.00 N ATOM 794 CA PRO A 49 0.749 2.304 -5.585 1.00 0.00 C ATOM 795 C PRO A 49 1.012 1.239 -6.652 1.00 0.00 C ATOM 796 O PRO A 49 1.848 1.434 -7.534 1.00 0.00 O ATOM 797 CB PRO A 49 0.001 3.509 -6.172 1.00 0.00 C ATOM 798 CG PRO A 49 0.597 4.706 -5.433 1.00 0.00 C ATOM 799 CD PRO A 49 2.042 4.280 -5.180 1.00 0.00 C ATOM 0 HA PRO A 49 0.160 1.815 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.153 3.588 -7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.074 3.432 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.545 5.615 -6.032 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.068 4.907 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.691 4.583 -6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.436 4.743 -4.275 1.00 0.00 H new ATOM 807 N GLU A 50 0.271 0.133 -6.620 1.00 0.00 N ATOM 808 CA GLU A 50 0.413 -0.948 -7.588 1.00 0.00 C ATOM 809 C GLU A 50 0.124 -0.472 -9.020 1.00 0.00 C ATOM 810 O GLU A 50 0.791 -0.918 -9.949 1.00 0.00 O ATOM 811 CB GLU A 50 -0.430 -2.176 -7.191 1.00 0.00 C ATOM 812 CG GLU A 50 -1.902 -1.905 -6.828 1.00 0.00 C ATOM 813 CD GLU A 50 -2.125 -1.716 -5.315 1.00 0.00 C ATOM 814 OE1 GLU A 50 -1.506 -0.808 -4.713 1.00 0.00 O ATOM 815 OE2 GLU A 50 -2.930 -2.469 -4.719 1.00 0.00 O ATOM 0 H GLU A 50 -0.448 -0.037 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 50 1.455 -1.267 -7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.407 -2.888 -8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.049 -2.659 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.242 -1.013 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.516 -2.735 -7.179 1.00 0.00 H new ATOM 822 N ASN A 51 -0.799 0.479 -9.217 1.00 0.00 N ATOM 823 CA ASN A 51 -1.063 1.059 -10.539 1.00 0.00 C ATOM 824 C ASN A 51 0.150 1.842 -11.055 1.00 0.00 C ATOM 825 O ASN A 51 0.536 1.708 -12.221 1.00 0.00 O ATOM 826 CB ASN A 51 -2.294 1.976 -10.473 1.00 0.00 C ATOM 827 CG ASN A 51 -2.490 2.738 -11.780 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.177 3.922 -11.869 1.00 0.00 O ATOM 829 ND2 ASN A 51 -2.986 2.087 -12.818 1.00 0.00 N ATOM 0 H ASN A 51 -1.378 0.865 -8.471 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.258 0.243 -11.235 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.182 1.381 -10.260 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.180 2.683 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.113 2.568 -13.708 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.241 1.104 -12.729 1.00 0.00 H new ATOM 836 N ALA A 52 0.771 2.639 -10.180 1.00 0.00 N ATOM 837 CA ALA A 52 1.979 3.385 -10.505 1.00 0.00 C ATOM 838 C ALA A 52 3.113 2.416 -10.835 1.00 0.00 C ATOM 839 O ALA A 52 3.821 2.618 -11.817 1.00 0.00 O ATOM 840 CB ALA A 52 2.357 4.304 -9.336 1.00 0.00 C ATOM 0 H ALA A 52 0.445 2.782 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 52 1.798 4.008 -11.381 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.261 4.858 -9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.543 5.004 -9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.535 3.703 -8.444 1.00 0.00 H new ATOM 846 N LEU A 53 3.256 1.347 -10.050 1.00 0.00 N ATOM 847 CA LEU A 53 4.273 0.331 -10.264 1.00 0.00 C ATOM 848 C LEU A 53 4.057 -0.385 -11.593 1.00 0.00 C ATOM 849 O LEU A 53 5.012 -0.514 -12.347 1.00 0.00 O ATOM 850 CB LEU A 53 4.276 -0.654 -9.086 1.00 0.00 C ATOM 851 CG LEU A 53 4.932 -0.078 -7.818 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.623 -0.978 -6.626 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.456 0.048 -7.938 1.00 0.00 C ATOM 0 H LEU A 53 2.661 1.166 -9.242 1.00 0.00 H new ATOM 0 HA LEU A 53 5.251 0.811 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.250 -0.942 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.803 -1.561 -9.380 1.00 0.00 H new ATOM 0 HG LEU A 53 4.519 0.921 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.089 -0.568 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.544 -1.033 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.015 -1.978 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.861 0.460 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.889 -0.936 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.702 0.710 -8.768 1.00 0.00 H new ATOM 865 N GLN A 54 2.837 -0.805 -11.939 1.00 0.00 N ATOM 866 CA GLN A 54 2.576 -1.449 -13.228 1.00 0.00 C ATOM 867 C GLN A 54 2.922 -0.503 -14.385 1.00 0.00 C ATOM 868 O GLN A 54 3.601 -0.910 -15.333 1.00 0.00 O ATOM 869 CB GLN A 54 1.111 -1.911 -13.313 1.00 0.00 C ATOM 870 CG GLN A 54 0.814 -3.154 -12.456 1.00 0.00 C ATOM 871 CD GLN A 54 1.517 -4.407 -12.982 1.00 0.00 C ATOM 872 OE1 GLN A 54 2.562 -4.813 -12.483 1.00 0.00 O ATOM 873 NE2 GLN A 54 0.973 -5.043 -14.009 1.00 0.00 N ATOM 0 H GLN A 54 2.014 -0.710 -11.344 1.00 0.00 H new ATOM 0 HA GLN A 54 3.214 -2.329 -13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.461 -1.096 -12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.865 -2.128 -14.353 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.129 -2.968 -11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.262 -3.327 -12.433 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.104 -4.700 -14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.423 -5.876 -14.390 1.00 0.00 H new ATOM 882 N SER A 55 2.529 0.771 -14.274 1.00 0.00 N ATOM 883 CA SER A 55 2.893 1.787 -15.258 1.00 0.00 C ATOM 884 C SER A 55 4.421 1.894 -15.381 1.00 0.00 C ATOM 885 O SER A 55 4.962 2.029 -16.480 1.00 0.00 O ATOM 886 CB SER A 55 2.301 3.144 -14.858 1.00 0.00 C ATOM 887 OG SER A 55 0.905 3.073 -14.603 1.00 0.00 O ATOM 0 H SER A 55 1.956 1.121 -13.506 1.00 0.00 H new ATOM 0 HA SER A 55 2.486 1.494 -16.226 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.812 3.512 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.486 3.866 -15.653 1.00 0.00 H new ATOM 0 HG SER A 55 0.753 2.663 -13.726 1.00 0.00 H new ATOM 893 N PHE A 56 5.127 1.805 -14.254 1.00 0.00 N ATOM 894 CA PHE A 56 6.571 1.870 -14.217 1.00 0.00 C ATOM 895 C PHE A 56 7.204 0.618 -14.835 1.00 0.00 C ATOM 896 O PHE A 56 8.204 0.776 -15.526 1.00 0.00 O ATOM 897 CB PHE A 56 7.024 2.159 -12.780 1.00 0.00 C ATOM 898 CG PHE A 56 8.486 2.512 -12.591 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.103 3.479 -13.410 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.212 1.938 -11.527 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.442 3.838 -13.184 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.547 2.302 -11.301 1.00 0.00 C ATOM 903 CZ PHE A 56 11.158 3.255 -12.126 1.00 0.00 C ATOM 0 H PHE A 56 4.699 1.685 -13.336 1.00 0.00 H new ATOM 0 HA PHE A 56 6.926 2.693 -14.838 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.422 2.980 -12.391 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.803 1.284 -12.170 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.547 3.944 -14.211 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.737 1.214 -10.882 1.00 0.00 H new ATOM 0 HE1 PHE A 56 10.921 4.563 -13.825 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.103 1.849 -10.493 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.184 3.542 -11.948 1.00 0.00 H new ATOM 913 N VAL A 57 6.622 -0.587 -14.720 1.00 0.00 N ATOM 914 CA VAL A 57 7.106 -1.736 -15.491 1.00 0.00 C ATOM 915 C VAL A 57 6.944 -1.436 -16.980 1.00 0.00 C ATOM 916 O VAL A 57 7.882 -1.671 -17.740 1.00 0.00 O ATOM 917 CB VAL A 57 6.419 -3.078 -15.146 1.00 0.00 C ATOM 918 CG1 VAL A 57 7.178 -4.246 -15.804 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.369 -3.373 -13.646 1.00 0.00 C ATOM 0 H VAL A 57 5.829 -0.786 -14.110 1.00 0.00 H new ATOM 0 HA VAL A 57 8.154 -1.870 -15.222 1.00 0.00 H new ATOM 0 HB VAL A 57 5.399 -2.984 -15.519 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.686 -5.186 -15.555 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.182 -4.114 -16.886 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.204 -4.265 -15.438 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.874 -4.330 -13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.383 -3.416 -13.250 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.814 -2.584 -13.138 1.00 0.00 H new ATOM 929 N GLU A 58 5.796 -0.899 -17.410 1.00 0.00 N ATOM 930 CA GLU A 58 5.562 -0.594 -18.820 1.00 0.00 C ATOM 931 C GLU A 58 6.583 0.427 -19.345 1.00 0.00 C ATOM 932 O GLU A 58 7.016 0.322 -20.494 1.00 0.00 O ATOM 933 CB GLU A 58 4.118 -0.125 -19.058 1.00 0.00 C ATOM 934 CG GLU A 58 3.107 -1.267 -18.888 1.00 0.00 C ATOM 935 CD GLU A 58 1.676 -0.808 -19.218 1.00 0.00 C ATOM 936 OE1 GLU A 58 0.955 -0.328 -18.316 1.00 0.00 O ATOM 937 OE2 GLU A 58 1.247 -0.941 -20.389 1.00 0.00 O ATOM 0 H GLU A 58 5.014 -0.667 -16.797 1.00 0.00 H new ATOM 0 HA GLU A 58 5.701 -1.515 -19.386 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.878 0.678 -18.361 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.032 0.289 -20.063 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.383 -2.098 -19.538 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.144 -1.638 -17.864 1.00 0.00 H new ATOM 944 N ALA A 59 7.011 1.381 -18.510 1.00 0.00 N ATOM 945 CA ALA A 59 8.107 2.278 -18.840 1.00 0.00 C ATOM 946 C ALA A 59 9.444 1.524 -18.911 1.00 0.00 C ATOM 947 O ALA A 59 10.155 1.613 -19.911 1.00 0.00 O ATOM 948 CB ALA A 59 8.178 3.420 -17.819 1.00 0.00 C ATOM 0 H ALA A 59 6.603 1.547 -17.590 1.00 0.00 H new ATOM 0 HA ALA A 59 7.917 2.701 -19.827 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.002 4.086 -18.075 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.242 3.979 -17.832 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.340 3.008 -16.823 1.00 0.00 H new ATOM 954 N VAL A 60 9.793 0.776 -17.863 1.00 0.00 N ATOM 955 CA VAL A 60 11.082 0.110 -17.710 1.00 0.00 C ATOM 956 C VAL A 60 11.314 -0.902 -18.833 1.00 0.00 C ATOM 957 O VAL A 60 12.412 -0.946 -19.389 1.00 0.00 O ATOM 958 CB VAL A 60 11.143 -0.520 -16.299 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.228 -1.592 -16.135 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.387 0.572 -15.243 1.00 0.00 C ATOM 0 H VAL A 60 9.166 0.614 -17.075 1.00 0.00 H new ATOM 0 HA VAL A 60 11.896 0.830 -17.796 1.00 0.00 H new ATOM 0 HB VAL A 60 10.178 -1.008 -16.160 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.203 -1.982 -15.118 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.047 -2.404 -16.840 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.206 -1.153 -16.331 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.428 0.118 -14.253 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.331 1.075 -15.451 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.574 1.298 -15.276 1.00 0.00 H new ATOM 970 N LYS A 61 10.305 -1.699 -19.207 1.00 0.00 N ATOM 971 CA LYS A 61 10.468 -2.756 -20.205 1.00 0.00 C ATOM 972 C LYS A 61 10.799 -2.212 -21.599 1.00 0.00 C ATOM 973 O LYS A 61 11.311 -2.964 -22.427 1.00 0.00 O ATOM 974 CB LYS A 61 9.254 -3.704 -20.202 1.00 0.00 C ATOM 975 CG LYS A 61 7.968 -3.088 -20.778 1.00 0.00 C ATOM 976 CD LYS A 61 6.751 -4.010 -20.617 1.00 0.00 C ATOM 977 CE LYS A 61 6.885 -5.304 -21.436 1.00 0.00 C ATOM 978 NZ LYS A 61 5.678 -6.164 -21.331 1.00 0.00 N ATOM 0 H LYS A 61 9.361 -1.628 -18.828 1.00 0.00 H new ATOM 0 HA LYS A 61 11.339 -3.345 -19.918 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.504 -4.597 -20.775 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.062 -4.026 -19.179 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.769 -2.139 -20.280 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.116 -2.868 -21.835 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.625 -4.261 -19.564 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.852 -3.478 -20.927 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.060 -5.053 -22.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.757 -5.861 -21.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.814 -7.024 -21.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.524 -6.427 -20.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.849 -5.644 -21.684 1.00 0.00 H new ATOM 992 N ASN A 62 10.539 -0.925 -21.870 1.00 0.00 N ATOM 993 CA ASN A 62 10.968 -0.281 -23.112 1.00 0.00 C ATOM 994 C ASN A 62 12.495 -0.146 -23.180 1.00 0.00 C ATOM 995 O ASN A 62 13.056 -0.083 -24.274 1.00 0.00 O ATOM 996 CB ASN A 62 10.337 1.116 -23.233 1.00 0.00 C ATOM 997 CG ASN A 62 10.673 1.773 -24.570 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.125 1.412 -25.608 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.559 2.754 -24.571 1.00 0.00 N ATOM 0 H ASN A 62 10.029 -0.308 -21.237 1.00 0.00 H new ATOM 0 HA ASN A 62 10.637 -0.913 -23.936 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.255 1.037 -23.128 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.691 1.747 -22.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.798 3.225 -25.444 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.004 3.040 -23.699 1.00 0.00 H new ATOM 1006 N GLY A 63 13.171 -0.069 -22.028 1.00 0.00 N ATOM 1007 CA GLY A 63 14.462 0.597 -21.931 1.00 0.00 C ATOM 1008 C GLY A 63 14.261 2.107 -22.101 1.00 0.00 C ATOM 1009 O GLY A 63 13.125 2.578 -22.216 1.00 0.00 O ATOM 0 H GLY A 63 12.838 -0.464 -21.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.923 0.385 -20.966 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.139 0.219 -22.697 1.00 0.00 H new ATOM 1013 N SER A 64 15.337 2.892 -22.162 1.00 0.00 N ATOM 1014 CA SER A 64 15.214 4.199 -22.798 1.00 0.00 C ATOM 1015 C SER A 64 14.980 3.966 -24.299 1.00 0.00 C ATOM 1016 O SER A 64 15.326 2.898 -24.813 1.00 0.00 O ATOM 1017 CB SER A 64 16.464 5.045 -22.530 1.00 0.00 C ATOM 1018 OG SER A 64 17.610 4.471 -23.134 1.00 0.00 O ATOM 0 H SER A 64 16.261 2.660 -21.797 1.00 0.00 H new ATOM 0 HA SER A 64 14.373 4.757 -22.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.313 6.054 -22.915 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.622 5.134 -21.455 1.00 0.00 H new ATOM 0 HG SER A 64 18.393 5.031 -22.949 1.00 0.00 H new ATOM 1024 N PRO A 65 14.490 4.957 -25.058 1.00 0.00 N ATOM 1025 CA PRO A 65 14.495 4.894 -26.516 1.00 0.00 C ATOM 1026 C PRO A 65 15.906 4.714 -27.117 1.00 0.00 C ATOM 1027 O PRO A 65 16.016 4.308 -28.275 1.00 0.00 O ATOM 1028 CB PRO A 65 13.792 6.172 -26.992 1.00 0.00 C ATOM 1029 CG PRO A 65 13.823 7.104 -25.780 1.00 0.00 C ATOM 1030 CD PRO A 65 13.810 6.149 -24.588 1.00 0.00 C ATOM 0 HA PRO A 65 13.967 4.007 -26.866 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.307 6.614 -27.845 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.769 5.967 -27.309 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.714 7.732 -25.780 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.962 7.772 -25.767 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.321 6.583 -23.729 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.791 5.924 -24.273 1.00 0.00 H new ATOM 1038 N PHE A 66 16.980 4.976 -26.358 1.00 0.00 N ATOM 1039 CA PHE A 66 18.356 4.705 -26.775 1.00 0.00 C ATOM 1040 C PHE A 66 18.776 3.261 -26.461 1.00 0.00 C ATOM 1041 O PHE A 66 19.698 2.738 -27.090 1.00 0.00 O ATOM 1042 CB PHE A 66 19.309 5.682 -26.067 1.00 0.00 C ATOM 1043 CG PHE A 66 18.916 7.144 -26.196 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.100 7.818 -27.419 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.337 7.823 -25.106 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.709 9.163 -27.550 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.946 9.167 -25.238 1.00 0.00 C ATOM 1048 CZ PHE A 66 18.131 9.838 -26.460 1.00 0.00 C ATOM 0 H PHE A 66 16.912 5.387 -25.427 1.00 0.00 H new ATOM 0 HA PHE A 66 18.410 4.841 -27.855 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.356 5.423 -25.009 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.312 5.551 -26.473 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.542 7.301 -28.258 1.00 0.00 H new ATOM 0 HD2 PHE A 66 18.193 7.310 -24.167 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.853 9.678 -28.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.503 9.685 -24.400 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.830 10.870 -26.561 1.00 0.00 H new ATOM 1058 N SER A 67 18.130 2.611 -25.493 1.00 0.00 N ATOM 1059 CA SER A 67 18.465 1.264 -25.055 1.00 0.00 C ATOM 1060 C SER A 67 18.008 0.201 -26.063 1.00 0.00 C ATOM 1061 O SER A 67 17.243 0.474 -26.992 1.00 0.00 O ATOM 1062 CB SER A 67 17.786 0.995 -23.707 1.00 0.00 C ATOM 1063 OG SER A 67 18.210 1.890 -22.697 1.00 0.00 O ATOM 0 H SER A 67 17.345 3.017 -24.984 1.00 0.00 H new ATOM 0 HA SER A 67 19.550 1.200 -24.967 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.705 1.073 -23.827 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.999 -0.027 -23.394 1.00 0.00 H new ATOM 0 HG SER A 67 18.053 2.812 -22.990 1.00 0.00 H new ATOM 1069 N LYS A 68 18.415 -1.044 -25.806 1.00 0.00 N ATOM 1070 CA LYS A 68 17.786 -2.260 -26.306 1.00 0.00 C ATOM 1071 C LYS A 68 17.806 -3.235 -25.136 1.00 0.00 C ATOM 1072 O LYS A 68 18.859 -3.795 -24.832 1.00 0.00 O ATOM 1073 CB LYS A 68 18.530 -2.803 -27.543 1.00 0.00 C ATOM 1074 CG LYS A 68 17.918 -4.129 -28.035 1.00 0.00 C ATOM 1075 CD LYS A 68 18.668 -4.740 -29.229 1.00 0.00 C ATOM 1076 CE LYS A 68 18.548 -3.937 -30.535 1.00 0.00 C ATOM 1077 NZ LYS A 68 17.176 -3.960 -31.108 1.00 0.00 N ATOM 0 H LYS A 68 19.226 -1.236 -25.219 1.00 0.00 H new ATOM 0 HA LYS A 68 16.765 -2.086 -26.646 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.493 -2.065 -28.344 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.581 -2.955 -27.299 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.913 -4.845 -27.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.879 -3.959 -28.316 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.723 -4.833 -28.970 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.291 -5.748 -29.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.840 -2.904 -30.348 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.248 -4.338 -31.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.157 -3.403 -31.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.903 -4.942 -31.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.507 -3.552 -30.424 1.00 0.00 H new ATOM 1091 N VAL A 69 16.675 -3.404 -24.453 1.00 0.00 N ATOM 1092 CA VAL A 69 16.500 -4.488 -23.489 1.00 0.00 C ATOM 1093 C VAL A 69 16.581 -5.801 -24.276 1.00 0.00 C ATOM 1094 O VAL A 69 15.960 -5.914 -25.336 1.00 0.00 O ATOM 1095 CB VAL A 69 15.145 -4.341 -22.755 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.918 -5.470 -21.736 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.039 -2.990 -22.030 1.00 0.00 C ATOM 0 H VAL A 69 15.860 -2.798 -24.551 1.00 0.00 H new ATOM 0 HA VAL A 69 17.273 -4.466 -22.720 1.00 0.00 H new ATOM 0 HB VAL A 69 14.376 -4.399 -23.526 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.956 -5.328 -21.244 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.924 -6.431 -22.250 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.713 -5.452 -20.990 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.075 -2.922 -21.526 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.839 -2.908 -21.295 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.127 -2.180 -22.754 1.00 0.00 H new ATOM 1107 N THR A 70 17.304 -6.792 -23.758 1.00 0.00 N ATOM 1108 CA THR A 70 17.363 -8.130 -24.337 1.00 0.00 C ATOM 1109 C THR A 70 16.761 -9.166 -23.376 1.00 0.00 C ATOM 1110 O THR A 70 16.278 -10.204 -23.834 1.00 0.00 O ATOM 1111 CB THR A 70 18.810 -8.467 -24.735 1.00 0.00 C ATOM 1112 OG1 THR A 70 19.656 -8.366 -23.608 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.334 -7.520 -25.825 1.00 0.00 C ATOM 0 H THR A 70 17.870 -6.686 -22.916 1.00 0.00 H new ATOM 0 HA THR A 70 16.759 -8.158 -25.244 1.00 0.00 H new ATOM 0 HB THR A 70 18.811 -9.485 -25.124 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.575 -8.583 -23.869 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.359 -7.790 -26.079 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.706 -7.603 -26.712 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.309 -6.494 -25.458 1.00 0.00 H new ATOM 1121 N ASP A 71 16.710 -8.877 -22.069 1.00 0.00 N ATOM 1122 CA ASP A 71 16.021 -9.690 -21.069 1.00 0.00 C ATOM 1123 C ASP A 71 15.673 -8.812 -19.866 1.00 0.00 C ATOM 1124 O ASP A 71 16.337 -7.804 -19.615 1.00 0.00 O ATOM 1125 CB ASP A 71 16.905 -10.869 -20.631 1.00 0.00 C ATOM 1126 CG ASP A 71 16.197 -11.780 -19.616 1.00 0.00 C ATOM 1127 OD1 ASP A 71 15.012 -12.120 -19.829 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.835 -12.183 -18.619 1.00 0.00 O ATOM 0 H ASP A 71 17.159 -8.051 -21.673 1.00 0.00 H new ATOM 0 HA ASP A 71 15.106 -10.096 -21.501 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.187 -11.454 -21.506 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.827 -10.487 -20.192 1.00 0.00 H new ATOM 1133 N ILE A 72 14.636 -9.190 -19.120 1.00 0.00 N ATOM 1134 CA ILE A 72 14.146 -8.497 -17.937 1.00 0.00 C ATOM 1135 C ILE A 72 13.578 -9.550 -16.972 1.00 0.00 C ATOM 1136 O ILE A 72 13.005 -10.553 -17.412 1.00 0.00 O ATOM 1137 CB ILE A 72 13.134 -7.394 -18.349 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.594 -6.640 -17.112 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.979 -7.922 -19.228 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.842 -5.345 -17.444 1.00 0.00 C ATOM 0 H ILE A 72 14.092 -10.026 -19.336 1.00 0.00 H new ATOM 0 HA ILE A 72 14.944 -7.972 -17.412 1.00 0.00 H new ATOM 0 HB ILE A 72 13.689 -6.690 -18.968 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.928 -7.302 -16.559 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.428 -6.403 -16.452 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.309 -7.100 -19.480 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.386 -8.352 -20.143 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.426 -8.687 -18.682 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.496 -4.878 -16.522 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.509 -4.661 -17.969 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.985 -5.574 -18.078 1.00 0.00 H new ATOM 1152 N SER A 73 13.718 -9.312 -15.668 1.00 0.00 N ATOM 1153 CA SER A 73 13.322 -10.211 -14.589 1.00 0.00 C ATOM 1154 C SER A 73 12.670 -9.376 -13.487 1.00 0.00 C ATOM 1155 O SER A 73 13.070 -8.230 -13.285 1.00 0.00 O ATOM 1156 CB SER A 73 14.570 -10.930 -14.047 1.00 0.00 C ATOM 1157 OG SER A 73 15.228 -11.665 -15.068 1.00 0.00 O ATOM 0 H SER A 73 14.130 -8.446 -15.321 1.00 0.00 H new ATOM 0 HA SER A 73 12.616 -10.960 -14.948 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.258 -10.199 -13.622 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.282 -11.603 -13.240 1.00 0.00 H new ATOM 0 HG SER A 73 16.018 -12.109 -14.694 1.00 0.00 H new ATOM 1163 N VAL A 74 11.687 -9.930 -12.771 1.00 0.00 N ATOM 1164 CA VAL A 74 10.876 -9.208 -11.788 1.00 0.00 C ATOM 1165 C VAL A 74 10.685 -10.108 -10.562 1.00 0.00 C ATOM 1166 O VAL A 74 10.497 -11.320 -10.702 1.00 0.00 O ATOM 1167 CB VAL A 74 9.509 -8.819 -12.414 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.636 -7.993 -11.449 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.657 -8.054 -13.743 1.00 0.00 C ATOM 0 H VAL A 74 11.428 -10.913 -12.861 1.00 0.00 H new ATOM 0 HA VAL A 74 11.376 -8.288 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 74 9.012 -9.768 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.691 -7.746 -11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.440 -8.574 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.158 -7.074 -11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.669 -7.809 -14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.219 -7.135 -13.573 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.188 -8.676 -14.464 1.00 0.00 H new ATOM 1179 N THR A 75 10.677 -9.501 -9.374 1.00 0.00 N ATOM 1180 CA THR A 75 10.334 -10.133 -8.109 1.00 0.00 C ATOM 1181 C THR A 75 9.452 -9.127 -7.363 1.00 0.00 C ATOM 1182 O THR A 75 9.922 -8.046 -7.005 1.00 0.00 O ATOM 1183 CB THR A 75 11.617 -10.475 -7.315 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.621 -11.038 -8.146 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.339 -11.476 -6.190 1.00 0.00 C ATOM 0 H THR A 75 10.920 -8.516 -9.268 1.00 0.00 H new ATOM 0 HA THR A 75 9.804 -11.075 -8.251 1.00 0.00 H new ATOM 0 HB THR A 75 11.964 -9.529 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.416 -11.239 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.265 -11.690 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.611 -11.053 -5.498 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.943 -12.399 -6.614 1.00 0.00 H new ATOM 1193 N GLU A 76 8.166 -9.432 -7.172 1.00 0.00 N ATOM 1194 CA GLU A 76 7.311 -8.667 -6.271 1.00 0.00 C ATOM 1195 C GLU A 76 7.732 -8.956 -4.824 1.00 0.00 C ATOM 1196 O GLU A 76 8.396 -9.956 -4.537 1.00 0.00 O ATOM 1197 CB GLU A 76 5.828 -8.991 -6.527 1.00 0.00 C ATOM 1198 CG GLU A 76 5.441 -10.453 -6.246 1.00 0.00 C ATOM 1199 CD GLU A 76 3.962 -10.721 -6.576 1.00 0.00 C ATOM 1200 OE1 GLU A 76 3.644 -11.068 -7.737 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.101 -10.612 -5.674 1.00 0.00 O ATOM 0 H GLU A 76 7.695 -10.209 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 76 7.430 -7.599 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.214 -8.339 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.591 -8.758 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.072 -11.117 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.628 -10.684 -5.197 1.00 0.00 H new ATOM 1208 N SER A 77 7.351 -8.084 -3.899 1.00 0.00 N ATOM 1209 CA SER A 77 7.602 -8.224 -2.468 1.00 0.00 C ATOM 1210 C SER A 77 6.568 -7.402 -1.689 1.00 0.00 C ATOM 1211 O SER A 77 5.899 -6.535 -2.255 1.00 0.00 O ATOM 1212 CB SER A 77 9.032 -7.749 -2.162 1.00 0.00 C ATOM 1213 OG SER A 77 9.979 -8.633 -2.736 1.00 0.00 O ATOM 0 H SER A 77 6.842 -7.231 -4.131 1.00 0.00 H new ATOM 0 HA SER A 77 7.509 -9.267 -2.165 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.180 -6.743 -2.554 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.182 -7.696 -1.084 1.00 0.00 H new ATOM 0 HG SER A 77 9.525 -9.239 -3.358 1.00 0.00 H new ATOM 1219 N ARG A 78 6.439 -7.667 -0.384 1.00 0.00 N ATOM 1220 CA ARG A 78 5.587 -6.898 0.521 1.00 0.00 C ATOM 1221 C ARG A 78 6.327 -6.738 1.856 1.00 0.00 C ATOM 1222 O ARG A 78 5.864 -7.172 2.911 1.00 0.00 O ATOM 1223 CB ARG A 78 4.170 -7.505 0.589 1.00 0.00 C ATOM 1224 CG ARG A 78 3.196 -6.585 1.345 1.00 0.00 C ATOM 1225 CD ARG A 78 1.728 -7.027 1.250 1.00 0.00 C ATOM 1226 NE ARG A 78 1.125 -6.743 -0.068 1.00 0.00 N ATOM 1227 CZ ARG A 78 0.790 -5.531 -0.538 1.00 0.00 C ATOM 1228 NH1 ARG A 78 1.011 -4.429 0.173 1.00 0.00 N ATOM 1229 NH2 ARG A 78 0.231 -5.402 -1.734 1.00 0.00 N ATOM 0 H ARG A 78 6.931 -8.433 0.076 1.00 0.00 H new ATOM 0 HA ARG A 78 5.405 -5.887 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.799 -7.678 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.213 -8.476 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.487 -6.547 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.287 -5.573 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.662 -8.096 1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.151 -6.521 2.024 1.00 0.00 H new ATOM 0 HE ARG A 78 0.947 -7.541 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.443 -4.495 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.749 -3.518 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.052 -6.228 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.020 -4.477 -2.083 1.00 0.00 H new ATOM 1243 N SER A 79 7.505 -6.127 1.775 1.00 0.00 N ATOM 1244 CA SER A 79 8.412 -5.818 2.874 1.00 0.00 C ATOM 1245 C SER A 79 8.873 -4.367 2.659 1.00 0.00 C ATOM 1246 O SER A 79 10.058 -4.098 2.455 1.00 0.00 O ATOM 1247 CB SER A 79 9.565 -6.836 2.879 1.00 0.00 C ATOM 1248 OG SER A 79 9.075 -8.170 2.942 1.00 0.00 O ATOM 0 H SER A 79 7.876 -5.813 0.878 1.00 0.00 H new ATOM 0 HA SER A 79 7.941 -5.895 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.169 -6.710 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.218 -6.645 3.731 1.00 0.00 H new ATOM 0 HG SER A 79 9.829 -8.796 2.942 1.00 0.00 H new ATOM 1254 N LEU A 80 7.882 -3.468 2.558 1.00 0.00 N ATOM 1255 CA LEU A 80 7.948 -2.159 1.901 1.00 0.00 C ATOM 1256 C LEU A 80 9.126 -1.303 2.382 1.00 0.00 C ATOM 1257 O LEU A 80 9.517 -1.347 3.551 1.00 0.00 O ATOM 1258 CB LEU A 80 6.612 -1.406 2.092 1.00 0.00 C ATOM 1259 CG LEU A 80 5.514 -1.738 1.059 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.154 -3.226 0.986 1.00 0.00 C ATOM 1261 CD2 LEU A 80 4.250 -0.930 1.365 1.00 0.00 C ATOM 0 H LEU A 80 6.961 -3.648 2.957 1.00 0.00 H new ATOM 0 HA LEU A 80 8.117 -2.342 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.229 -1.626 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.809 -0.335 2.056 1.00 0.00 H new ATOM 0 HG LEU A 80 5.927 -1.468 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.376 -3.376 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.038 -3.801 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.792 -3.561 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.479 -1.169 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.891 -1.180 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.478 0.135 1.317 1.00 0.00 H new ATOM 1273 N GLU A 81 9.658 -0.488 1.465 1.00 0.00 N ATOM 1274 CA GLU A 81 10.830 0.357 1.684 1.00 0.00 C ATOM 1275 C GLU A 81 10.574 1.435 2.743 1.00 0.00 C ATOM 1276 O GLU A 81 11.502 1.828 3.454 1.00 0.00 O ATOM 1277 CB GLU A 81 11.234 1.038 0.360 1.00 0.00 C ATOM 1278 CG GLU A 81 11.689 0.075 -0.745 1.00 0.00 C ATOM 1279 CD GLU A 81 12.907 -0.767 -0.329 1.00 0.00 C ATOM 1280 OE1 GLU A 81 13.984 -0.200 -0.043 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.771 -2.008 -0.283 1.00 0.00 O ATOM 0 H GLU A 81 9.272 -0.398 0.525 1.00 0.00 H new ATOM 0 HA GLU A 81 11.633 -0.286 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.387 1.617 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.039 1.744 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.865 -0.589 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.935 0.645 -1.641 1.00 0.00 H new ATOM 1288 N GLY A 82 9.344 1.957 2.827 1.00 0.00 N ATOM 1289 CA GLY A 82 8.998 3.089 3.685 1.00 0.00 C ATOM 1290 C GLY A 82 9.722 4.381 3.282 1.00 0.00 C ATOM 1291 O GLY A 82 9.772 5.328 4.069 1.00 0.00 O ATOM 0 H GLY A 82 8.553 1.598 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.921 3.253 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.246 2.846 4.718 1.00 0.00 H new ATOM 1295 N HIS A 83 10.320 4.413 2.086 1.00 0.00 N ATOM 1296 CA HIS A 83 11.044 5.558 1.551 1.00 0.00 C ATOM 1297 C HIS A 83 10.050 6.587 0.993 1.00 0.00 C ATOM 1298 O HIS A 83 8.878 6.275 0.762 1.00 0.00 O ATOM 1299 CB HIS A 83 12.022 5.069 0.467 1.00 0.00 C ATOM 1300 CG HIS A 83 13.280 4.420 1.002 1.00 0.00 C ATOM 1301 ND1 HIS A 83 13.400 3.592 2.100 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.535 4.556 0.468 1.00 0.00 C ATOM 1303 CE1 HIS A 83 14.690 3.243 2.221 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.430 3.813 1.250 1.00 0.00 N ATOM 0 H HIS A 83 10.310 3.616 1.449 1.00 0.00 H new ATOM 0 HA HIS A 83 11.617 6.046 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.505 4.356 -0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.303 5.916 -0.159 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.640 3.297 2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.791 5.137 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.081 2.594 2.991 1.00 0.00 H new ATOM 1312 N HIS A 84 10.537 7.804 0.730 1.00 0.00 N ATOM 1313 CA HIS A 84 9.738 8.922 0.221 1.00 0.00 C ATOM 1314 C HIS A 84 10.471 9.660 -0.918 1.00 0.00 C ATOM 1315 O HIS A 84 10.168 10.816 -1.217 1.00 0.00 O ATOM 1316 CB HIS A 84 9.369 9.836 1.406 1.00 0.00 C ATOM 1317 CG HIS A 84 8.208 10.764 1.134 1.00 0.00 C ATOM 1318 ND1 HIS A 84 6.880 10.404 1.033 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.270 12.122 0.962 1.00 0.00 C ATOM 1320 CE1 HIS A 84 6.163 11.517 0.801 1.00 0.00 C ATOM 1321 NE2 HIS A 84 6.967 12.596 0.749 1.00 0.00 N ATOM 0 H HIS A 84 11.519 8.044 0.868 1.00 0.00 H new ATOM 0 HA HIS A 84 8.813 8.557 -0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.129 9.215 2.269 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.241 10.432 1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.167 12.723 0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.091 11.542 0.674 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.685 13.563 0.587 1.00 0.00 H new ATOM 1329 N ARG A 85 11.460 9.013 -1.553 1.00 0.00 N ATOM 1330 CA ARG A 85 12.209 9.545 -2.691 1.00 0.00 C ATOM 1331 C ARG A 85 12.702 8.386 -3.550 1.00 0.00 C ATOM 1332 O ARG A 85 12.767 7.252 -3.065 1.00 0.00 O ATOM 1333 CB ARG A 85 13.373 10.454 -2.226 1.00 0.00 C ATOM 1334 CG ARG A 85 14.647 9.782 -1.677 1.00 0.00 C ATOM 1335 CD ARG A 85 14.445 8.960 -0.400 1.00 0.00 C ATOM 1336 NE ARG A 85 13.923 9.771 0.719 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.694 9.340 1.966 1.00 0.00 C ATOM 1338 NH1 ARG A 85 13.944 8.076 2.303 1.00 0.00 N ATOM 1339 NH2 ARG A 85 13.186 10.173 2.867 1.00 0.00 N ATOM 0 H ARG A 85 11.766 8.080 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 85 11.551 10.172 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.664 11.080 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.988 11.119 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.058 9.131 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.391 10.554 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.755 8.142 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.394 8.511 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 85 13.718 10.751 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.313 7.427 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.766 7.757 3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.972 11.136 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.010 9.850 3.818 1.00 0.00 H new ATOM 1353 N PHE A 86 13.077 8.672 -4.792 1.00 0.00 N ATOM 1354 CA PHE A 86 13.753 7.729 -5.671 1.00 0.00 C ATOM 1355 C PHE A 86 15.228 8.151 -5.770 1.00 0.00 C ATOM 1356 O PHE A 86 15.525 9.340 -5.608 1.00 0.00 O ATOM 1357 CB PHE A 86 13.043 7.693 -7.037 1.00 0.00 C ATOM 1358 CG PHE A 86 13.148 6.351 -7.736 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.385 5.259 -7.286 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.988 6.188 -8.846 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.518 3.999 -7.892 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.125 4.930 -9.460 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.401 3.829 -8.972 1.00 0.00 C ATOM 0 H PHE A 86 12.916 9.583 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 86 13.715 6.713 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.991 7.940 -6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.469 8.463 -7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.692 5.390 -6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.535 7.035 -9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 86 11.942 3.161 -7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.786 4.810 -10.306 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.523 2.856 -9.425 1.00 0.00 H new ATOM 1373 N SER A 87 16.138 7.206 -6.032 1.00 0.00 N ATOM 1374 CA SER A 87 17.582 7.463 -6.034 1.00 0.00 C ATOM 1375 C SER A 87 18.281 6.761 -7.205 1.00 0.00 C ATOM 1376 O SER A 87 17.782 5.757 -7.724 1.00 0.00 O ATOM 1377 CB SER A 87 18.174 6.986 -4.698 1.00 0.00 C ATOM 1378 OG SER A 87 17.521 7.592 -3.591 1.00 0.00 O ATOM 0 H SER A 87 15.893 6.240 -6.249 1.00 0.00 H new ATOM 0 HA SER A 87 17.745 8.534 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 87 18.084 5.902 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.238 7.220 -4.666 1.00 0.00 H new ATOM 0 HG SER A 87 17.920 7.266 -2.757 1.00 0.00 H new ATOM 1384 N ILE A 88 19.447 7.268 -7.619 1.00 0.00 N ATOM 1385 CA ILE A 88 20.402 6.521 -8.440 1.00 0.00 C ATOM 1386 C ILE A 88 21.515 6.119 -7.465 1.00 0.00 C ATOM 1387 O ILE A 88 21.933 6.938 -6.641 1.00 0.00 O ATOM 1388 CB ILE A 88 20.961 7.336 -9.640 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.872 8.085 -10.439 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.689 6.374 -10.600 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.377 8.968 -11.588 1.00 0.00 C ATOM 0 H ILE A 88 19.755 8.213 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 88 19.921 5.664 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 88 21.632 8.087 -9.223 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.178 7.351 -10.848 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.305 8.709 -9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.085 6.935 -11.446 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.508 5.885 -10.073 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.989 5.621 -10.961 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.529 9.445 -12.080 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.045 9.733 -11.192 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.916 8.354 -12.309 1.00 0.00 H new ATOM 1403 N VAL A 89 21.982 4.874 -7.537 1.00 0.00 N ATOM 1404 CA VAL A 89 22.986 4.318 -6.632 1.00 0.00 C ATOM 1405 C VAL A 89 24.040 3.611 -7.499 1.00 0.00 C ATOM 1406 O VAL A 89 23.747 3.194 -8.623 1.00 0.00 O ATOM 1407 CB VAL A 89 22.291 3.411 -5.580 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.268 2.886 -4.517 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.150 4.137 -4.840 1.00 0.00 C ATOM 0 H VAL A 89 21.666 4.209 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 89 23.502 5.081 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 89 21.890 2.578 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.730 2.258 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 89 24.050 2.300 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.718 3.727 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.697 3.460 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.549 5.008 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.396 4.457 -5.559 1.00 0.00 H new