USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 947 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 68 SER OG : rot 180:sc= 0.399 USER MOD Set 1.2: A 110 GLN : amide:sc= 0.739 K(o=1.1,f=-7.8!) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= -0.672 USER MOD Set 3.1: A 35 SER OG : rot 155:sc= 2.31 USER MOD Set 3.2: A 39 LYS NZ :NH3+ -173:sc= 2.13 (180deg=0.983) USER MOD Set 4.1: A 12 GLN : amide:sc= -0.0328 K(o=-0.42,f=-3.8) USER MOD Set 4.2: A 44 TYR OH : rot 0:sc= -0.391 USER MOD Set 4.3: A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 2.13 (180deg=1.34) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 14 SER OG : rot 116:sc= 1.21 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0678 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 58:sc= 1.12 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0377) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= -1.31 (180deg=-3.63!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= 0.208 F(o=-0.62,f=0.21) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.988 (180deg=-1.85!) USER MOD Single : A 58 GLN : amide:sc=-0.00435 K(o=-0.0043,f=-0.98) USER MOD Single : A 59 ASN : amide:sc= 1 K(o=1,f=-0.17) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.565 F(o=-1.3,f=-0.57) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.15) USER MOD Single : A 77 GLN : amide:sc= -1.26 K(o=-1.3,f=-6!) USER MOD Single : A 78 SER OG : rot 31:sc= 0.602 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0127) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.5!) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.942) USER MOD Single : A 102 SER OG : rot -74:sc= 0.568 USER MOD Single : A 105 THR OG1 : rot -115:sc= 1 USER MOD Single : A 107 MET CE :methyl 146:sc= -0.273 (180deg=-1.14) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.0119 K(o=-0.012,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.676 15.356 0.774 1.00 0.00 N ATOM 2 CA MET A 1 -5.321 16.663 0.986 1.00 0.00 C ATOM 3 C MET A 1 -5.478 17.406 -0.343 1.00 0.00 C ATOM 4 O MET A 1 -5.618 18.636 -0.378 1.00 0.00 O ATOM 5 CB MET A 1 -4.516 17.508 1.997 1.00 0.00 C ATOM 6 CG MET A 1 -4.519 16.970 3.429 1.00 0.00 C ATOM 7 SD MET A 1 -3.801 15.312 3.583 1.00 0.00 S ATOM 8 CE MET A 1 -4.042 14.993 5.332 1.00 0.00 C ATOM 0 H1 MET A 1 -4.318 14.994 1.681 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.369 14.686 0.384 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.885 15.463 0.107 1.00 0.00 H new ATOM 0 HA MET A 1 -6.315 16.494 1.401 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.484 17.577 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.918 18.521 2.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.965 17.658 4.068 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.544 16.949 3.798 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.649 14.007 5.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.517 15.749 5.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.106 15.029 5.565 1.00 0.00 H new ATOM 20 N ALA A 2 -5.523 16.656 -1.434 1.00 0.00 N ATOM 21 CA ALA A 2 -5.605 17.226 -2.768 1.00 0.00 C ATOM 22 C ALA A 2 -6.362 16.264 -3.657 1.00 0.00 C ATOM 23 O ALA A 2 -6.134 16.188 -4.864 1.00 0.00 O ATOM 24 CB ALA A 2 -4.204 17.434 -3.305 1.00 0.00 C ATOM 0 H ALA A 2 -5.504 15.636 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.123 18.185 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.258 17.862 -4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.660 18.114 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.685 16.477 -3.347 1.00 0.00 H new ATOM 30 N GLU A 3 -7.283 15.571 -3.039 1.00 0.00 N ATOM 31 CA GLU A 3 -8.061 14.510 -3.662 1.00 0.00 C ATOM 32 C GLU A 3 -8.904 15.023 -4.822 1.00 0.00 C ATOM 33 O GLU A 3 -9.880 15.753 -4.628 1.00 0.00 O ATOM 34 CB GLU A 3 -8.957 13.772 -2.635 1.00 0.00 C ATOM 35 CG GLU A 3 -8.213 12.990 -1.534 1.00 0.00 C ATOM 36 CD GLU A 3 -7.380 13.864 -0.628 1.00 0.00 C ATOM 37 OE1 GLU A 3 -7.918 14.469 0.310 1.00 0.00 O ATOM 38 OE2 GLU A 3 -6.173 14.018 -0.883 1.00 0.00 O ATOM 0 H GLU A 3 -7.526 15.727 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.339 13.797 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.608 14.504 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.600 13.078 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.941 12.446 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.567 12.247 -2.002 1.00 0.00 H new ATOM 45 N GLY A 4 -8.494 14.672 -6.015 1.00 0.00 N ATOM 46 CA GLY A 4 -9.213 15.053 -7.203 1.00 0.00 C ATOM 47 C GLY A 4 -9.091 13.998 -8.276 1.00 0.00 C ATOM 48 O GLY A 4 -9.543 14.187 -9.412 1.00 0.00 O ATOM 0 H GLY A 4 -7.656 14.117 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.264 15.209 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.827 16.002 -7.576 1.00 0.00 H new ATOM 52 N GLY A 5 -8.489 12.886 -7.919 1.00 0.00 N ATOM 53 CA GLY A 5 -8.298 11.815 -8.847 1.00 0.00 C ATOM 54 C GLY A 5 -8.235 10.512 -8.143 1.00 0.00 C ATOM 55 O GLY A 5 -7.221 9.798 -8.200 1.00 0.00 O ATOM 0 H GLY A 5 -8.124 12.707 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.114 11.804 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.378 11.975 -9.409 1.00 0.00 H new ATOM 59 N ALA A 6 -9.292 10.206 -7.451 1.00 0.00 N ATOM 60 CA ALA A 6 -9.363 8.991 -6.721 1.00 0.00 C ATOM 61 C ALA A 6 -10.531 8.144 -7.130 1.00 0.00 C ATOM 62 O ALA A 6 -11.610 8.649 -7.494 1.00 0.00 O ATOM 63 CB ALA A 6 -9.336 9.229 -5.228 1.00 0.00 C ATOM 0 H ALA A 6 -10.123 10.794 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.466 8.425 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.392 8.274 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.410 9.736 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.186 9.849 -4.943 1.00 0.00 H new ATOM 69 N ALA A 7 -10.294 6.861 -7.098 1.00 0.00 N ATOM 70 CA ALA A 7 -11.267 5.859 -7.426 1.00 0.00 C ATOM 71 C ALA A 7 -12.299 5.737 -6.334 1.00 0.00 C ATOM 72 O ALA A 7 -12.111 6.257 -5.228 1.00 0.00 O ATOM 73 CB ALA A 7 -10.561 4.546 -7.580 1.00 0.00 C ATOM 0 H ALA A 7 -9.388 6.473 -6.834 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.772 6.140 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.285 3.771 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.821 4.622 -8.377 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.062 4.289 -6.645 1.00 0.00 H new ATOM 79 N ASP A 8 -13.382 5.058 -6.639 1.00 0.00 N ATOM 80 CA ASP A 8 -14.413 4.757 -5.652 1.00 0.00 C ATOM 81 C ASP A 8 -13.862 3.766 -4.724 1.00 0.00 C ATOM 82 O ASP A 8 -13.110 2.951 -5.166 1.00 0.00 O ATOM 83 CB ASP A 8 -15.624 4.160 -6.310 1.00 0.00 C ATOM 84 CG ASP A 8 -16.776 3.956 -5.350 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.507 4.916 -5.064 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.977 2.827 -4.874 1.00 0.00 O ATOM 0 H ASP A 8 -13.579 4.697 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.706 5.675 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.946 4.810 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.354 3.202 -6.755 1.00 0.00 H new ATOM 91 N LEU A 9 -14.227 3.802 -3.455 1.00 0.00 N ATOM 92 CA LEU A 9 -13.669 2.866 -2.478 1.00 0.00 C ATOM 93 C LEU A 9 -13.838 1.458 -2.926 1.00 0.00 C ATOM 94 O LEU A 9 -12.900 0.668 -2.904 1.00 0.00 O ATOM 95 CB LEU A 9 -14.362 2.953 -1.178 1.00 0.00 C ATOM 96 CG LEU A 9 -14.464 4.275 -0.515 1.00 0.00 C ATOM 97 CD1 LEU A 9 -14.977 4.009 0.815 1.00 0.00 C ATOM 98 CD2 LEU A 9 -13.144 4.969 -0.423 1.00 0.00 C ATOM 0 H LEU A 9 -14.903 4.463 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.617 3.137 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.374 2.573 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.859 2.275 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.112 4.936 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.077 4.947 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.952 3.528 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.288 3.352 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.273 5.932 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.450 4.356 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.744 5.125 -1.425 1.00 0.00 H new ATOM 110 N ASP A 10 -15.012 1.176 -3.420 1.00 0.00 N ATOM 111 CA ASP A 10 -15.339 -0.200 -3.825 1.00 0.00 C ATOM 112 C ASP A 10 -14.525 -0.592 -5.033 1.00 0.00 C ATOM 113 O ASP A 10 -14.225 -1.760 -5.268 1.00 0.00 O ATOM 114 CB ASP A 10 -16.823 -0.381 -4.078 1.00 0.00 C ATOM 115 CG ASP A 10 -17.165 -1.780 -4.535 1.00 0.00 C ATOM 116 OD1 ASP A 10 -17.095 -2.729 -3.723 1.00 0.00 O ATOM 117 OD2 ASP A 10 -17.539 -1.948 -5.724 1.00 0.00 O ATOM 0 H ASP A 10 -15.760 1.855 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.080 -0.863 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.374 -0.155 -3.165 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.150 0.334 -4.833 1.00 0.00 H new ATOM 122 N THR A 11 -14.118 0.402 -5.750 1.00 0.00 N ATOM 123 CA THR A 11 -13.280 0.255 -6.837 1.00 0.00 C ATOM 124 C THR A 11 -11.828 0.072 -6.346 1.00 0.00 C ATOM 125 O THR A 11 -11.193 -0.871 -6.719 1.00 0.00 O ATOM 126 CB THR A 11 -13.415 1.502 -7.703 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.649 1.500 -8.446 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.228 1.720 -8.571 1.00 0.00 C ATOM 0 H THR A 11 -14.385 1.369 -5.566 1.00 0.00 H new ATOM 0 HA THR A 11 -13.547 -0.624 -7.423 1.00 0.00 H new ATOM 0 HB THR A 11 -13.454 2.357 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.705 2.314 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.374 2.620 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.340 1.836 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.099 0.863 -9.233 1.00 0.00 H new ATOM 136 N GLN A 12 -11.363 0.970 -5.463 1.00 0.00 N ATOM 137 CA GLN A 12 -9.975 0.997 -4.970 1.00 0.00 C ATOM 138 C GLN A 12 -9.502 -0.374 -4.497 1.00 0.00 C ATOM 139 O GLN A 12 -8.549 -0.920 -5.042 1.00 0.00 O ATOM 140 CB GLN A 12 -9.846 1.940 -3.811 1.00 0.00 C ATOM 141 CG GLN A 12 -10.495 3.286 -3.995 1.00 0.00 C ATOM 142 CD GLN A 12 -10.327 4.227 -2.825 1.00 0.00 C ATOM 143 OE1 GLN A 12 -10.109 3.817 -1.693 1.00 0.00 O ATOM 144 NE2 GLN A 12 -10.555 5.474 -3.065 1.00 0.00 N ATOM 0 H GLN A 12 -11.946 1.707 -5.066 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.361 1.321 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.277 1.466 -2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.786 2.092 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.080 3.757 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.560 3.140 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.733 5.785 -4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.557 6.149 -2.300 1.00 0.00 H new ATOM 153 N ARG A 13 -10.183 -0.919 -3.480 1.00 0.00 N ATOM 154 CA ARG A 13 -9.886 -2.259 -2.939 1.00 0.00 C ATOM 155 C ARG A 13 -9.774 -3.317 -4.036 1.00 0.00 C ATOM 156 O ARG A 13 -8.864 -4.137 -4.049 1.00 0.00 O ATOM 157 CB ARG A 13 -10.972 -2.679 -1.945 1.00 0.00 C ATOM 158 CG ARG A 13 -12.366 -2.296 -2.384 1.00 0.00 C ATOM 159 CD ARG A 13 -13.472 -3.069 -1.688 1.00 0.00 C ATOM 160 NE ARG A 13 -13.368 -4.528 -1.883 1.00 0.00 N ATOM 161 CZ ARG A 13 -14.412 -5.357 -2.035 1.00 0.00 C ATOM 162 NH1 ARG A 13 -15.616 -4.882 -2.370 1.00 0.00 N ATOM 163 NH2 ARG A 13 -14.228 -6.680 -1.934 1.00 0.00 N ATOM 0 H ARG A 13 -10.954 -0.447 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.921 -2.192 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.927 -3.759 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.765 -2.222 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.512 -1.231 -2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.451 -2.450 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.446 -2.848 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.437 -2.726 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.434 -4.936 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.748 -3.881 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.403 -5.521 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.298 -7.052 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.018 -7.315 -2.049 1.00 0.00 H new ATOM 177 N SER A 14 -10.676 -3.244 -4.938 1.00 0.00 N ATOM 178 CA SER A 14 -10.807 -4.169 -6.025 1.00 0.00 C ATOM 179 C SER A 14 -9.742 -3.948 -7.120 1.00 0.00 C ATOM 180 O SER A 14 -9.260 -4.894 -7.745 1.00 0.00 O ATOM 181 CB SER A 14 -12.183 -3.951 -6.576 1.00 0.00 C ATOM 182 OG SER A 14 -13.173 -4.271 -5.599 1.00 0.00 O ATOM 0 H SER A 14 -11.382 -2.508 -4.950 1.00 0.00 H new ATOM 0 HA SER A 14 -10.657 -5.191 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.295 -2.913 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.327 -4.568 -7.463 1.00 0.00 H new ATOM 0 HG SER A 14 -13.675 -3.462 -5.365 1.00 0.00 H new ATOM 188 N ASP A 15 -9.389 -2.714 -7.324 1.00 0.00 N ATOM 189 CA ASP A 15 -8.447 -2.301 -8.355 1.00 0.00 C ATOM 190 C ASP A 15 -7.036 -2.612 -7.908 1.00 0.00 C ATOM 191 O ASP A 15 -6.217 -3.039 -8.689 1.00 0.00 O ATOM 192 CB ASP A 15 -8.635 -0.798 -8.623 1.00 0.00 C ATOM 193 CG ASP A 15 -7.939 -0.285 -9.851 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.759 -1.051 -10.819 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.613 0.918 -9.903 1.00 0.00 O ATOM 0 H ASP A 15 -9.750 -1.937 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.630 -2.846 -9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.701 -0.590 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.274 -0.241 -7.758 1.00 0.00 H new ATOM 200 N ILE A 16 -6.788 -2.447 -6.635 1.00 0.00 N ATOM 201 CA ILE A 16 -5.515 -2.756 -6.031 1.00 0.00 C ATOM 202 C ILE A 16 -5.329 -4.241 -5.930 1.00 0.00 C ATOM 203 O ILE A 16 -4.217 -4.730 -6.135 1.00 0.00 O ATOM 204 CB ILE A 16 -5.389 -2.085 -4.637 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.298 -0.573 -4.776 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.232 -2.621 -3.823 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.145 -0.100 -5.635 1.00 0.00 C ATOM 0 H ILE A 16 -7.477 -2.087 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.726 -2.356 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.295 -2.338 -4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.230 -0.201 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.202 -0.133 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.198 -2.112 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.364 -3.691 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.299 -2.447 -4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.150 0.989 -5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.205 -0.439 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.249 -0.509 -6.640 1.00 0.00 H new ATOM 219 N ALA A 17 -6.438 -4.967 -5.722 1.00 0.00 N ATOM 220 CA ALA A 17 -6.398 -6.412 -5.562 1.00 0.00 C ATOM 221 C ALA A 17 -5.757 -7.023 -6.775 1.00 0.00 C ATOM 222 O ALA A 17 -4.974 -7.950 -6.666 1.00 0.00 O ATOM 223 CB ALA A 17 -7.795 -6.974 -5.354 1.00 0.00 C ATOM 0 H ALA A 17 -7.374 -4.566 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.810 -6.658 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.738 -8.056 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.234 -6.535 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.416 -6.735 -6.217 1.00 0.00 H new ATOM 229 N THR A 18 -6.048 -6.419 -7.912 1.00 0.00 N ATOM 230 CA THR A 18 -5.543 -6.763 -9.177 1.00 0.00 C ATOM 231 C THR A 18 -4.023 -6.792 -9.170 1.00 0.00 C ATOM 232 O THR A 18 -3.406 -7.802 -9.491 1.00 0.00 O ATOM 233 CB THR A 18 -5.992 -5.676 -10.122 1.00 0.00 C ATOM 234 OG1 THR A 18 -7.404 -5.473 -9.987 1.00 0.00 O ATOM 235 CG2 THR A 18 -5.686 -5.990 -11.523 1.00 0.00 C ATOM 0 H THR A 18 -6.688 -5.626 -7.951 1.00 0.00 H new ATOM 0 HA THR A 18 -5.901 -7.751 -9.468 1.00 0.00 H new ATOM 0 HB THR A 18 -5.445 -4.772 -9.855 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.693 -4.765 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.029 -5.176 -12.162 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.610 -6.115 -11.641 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.191 -6.913 -11.808 1.00 0.00 H new ATOM 243 N LEU A 19 -3.427 -5.710 -8.810 1.00 0.00 N ATOM 244 CA LEU A 19 -2.053 -5.619 -8.804 1.00 0.00 C ATOM 245 C LEU A 19 -1.355 -6.514 -7.763 1.00 0.00 C ATOM 246 O LEU A 19 -0.182 -6.813 -7.894 1.00 0.00 O ATOM 247 CB LEU A 19 -1.725 -4.192 -8.678 1.00 0.00 C ATOM 248 CG LEU A 19 -2.094 -3.338 -9.880 1.00 0.00 C ATOM 249 CD1 LEU A 19 -1.781 -3.942 -11.233 1.00 0.00 C ATOM 250 CD2 LEU A 19 -3.419 -2.659 -9.845 1.00 0.00 C ATOM 0 H LEU A 19 -3.910 -4.863 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.657 -6.018 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.233 -3.794 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.654 -4.096 -8.498 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.382 -2.522 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.084 -3.250 -12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.710 -4.130 -11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.323 -4.881 -11.347 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.557 -2.084 -10.760 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.209 -3.406 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.462 -1.990 -8.986 1.00 0.00 H new ATOM 262 N LEU A 20 -2.083 -6.972 -6.778 1.00 0.00 N ATOM 263 CA LEU A 20 -1.505 -7.861 -5.753 1.00 0.00 C ATOM 264 C LEU A 20 -1.534 -9.284 -6.249 1.00 0.00 C ATOM 265 O LEU A 20 -0.708 -10.126 -5.861 1.00 0.00 O ATOM 266 CB LEU A 20 -2.338 -7.807 -4.489 1.00 0.00 C ATOM 267 CG LEU A 20 -2.847 -6.439 -4.137 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.680 -6.483 -2.873 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.715 -5.428 -3.999 1.00 0.00 C ATOM 0 H LEU A 20 -3.072 -6.757 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.484 -7.536 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.188 -8.480 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.740 -8.183 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.481 -6.109 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.038 -5.481 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.532 -7.147 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.071 -6.853 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.128 -4.452 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.033 -5.750 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.173 -5.357 -4.942 1.00 0.00 H new ATOM 281 N LYS A 21 -2.470 -9.537 -7.129 1.00 0.00 N ATOM 282 CA LYS A 21 -2.737 -10.856 -7.612 1.00 0.00 C ATOM 283 C LYS A 21 -1.943 -11.140 -8.862 1.00 0.00 C ATOM 284 O LYS A 21 -1.901 -12.257 -9.379 1.00 0.00 O ATOM 285 CB LYS A 21 -4.243 -11.044 -7.771 1.00 0.00 C ATOM 286 CG LYS A 21 -4.965 -10.154 -8.701 1.00 0.00 C ATOM 287 CD LYS A 21 -4.793 -10.591 -10.158 1.00 0.00 C ATOM 288 CE LYS A 21 -5.640 -9.793 -11.122 1.00 0.00 C ATOM 289 NZ LYS A 21 -5.518 -10.319 -12.488 1.00 0.00 N ATOM 0 H LYS A 21 -3.072 -8.819 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.404 -11.599 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.418 -12.071 -8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.697 -10.935 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.025 -10.146 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.601 -9.133 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.744 -10.493 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.050 -11.647 -10.247 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.683 -9.825 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.333 -8.747 -11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.109 -9.755 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.525 -10.266 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.834 -11.310 -12.508 1.00 0.00 H new ATOM 303 N THR A 22 -1.318 -10.101 -9.321 1.00 0.00 N ATOM 304 CA THR A 22 -0.481 -10.084 -10.435 1.00 0.00 C ATOM 305 C THR A 22 0.818 -10.804 -10.152 1.00 0.00 C ATOM 306 O THR A 22 1.409 -10.693 -9.066 1.00 0.00 O ATOM 307 CB THR A 22 -0.211 -8.623 -10.785 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.413 -7.976 -11.215 1.00 0.00 O ATOM 309 CG2 THR A 22 0.812 -8.513 -11.832 1.00 0.00 C ATOM 0 H THR A 22 -1.399 -9.185 -8.880 1.00 0.00 H new ATOM 0 HA THR A 22 -0.960 -10.599 -11.268 1.00 0.00 H new ATOM 0 HB THR A 22 0.156 -8.129 -9.885 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.089 -8.038 -10.508 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.985 -7.462 -12.062 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.740 -8.966 -11.483 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.471 -9.030 -12.729 1.00 0.00 H new ATOM 317 N SER A 23 1.226 -11.533 -11.122 1.00 0.00 N ATOM 318 CA SER A 23 2.430 -12.225 -11.094 1.00 0.00 C ATOM 319 C SER A 23 3.548 -11.324 -11.593 1.00 0.00 C ATOM 320 O SER A 23 3.426 -10.658 -12.638 1.00 0.00 O ATOM 321 CB SER A 23 2.281 -13.437 -11.948 1.00 0.00 C ATOM 322 OG SER A 23 1.313 -14.330 -11.403 1.00 0.00 O ATOM 0 H SER A 23 0.699 -11.660 -11.986 1.00 0.00 H new ATOM 0 HA SER A 23 2.685 -12.531 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.984 -13.143 -12.954 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.241 -13.945 -12.035 1.00 0.00 H new ATOM 0 HG SER A 23 1.231 -15.117 -11.982 1.00 0.00 H new ATOM 328 N LEU A 24 4.614 -11.301 -10.857 1.00 0.00 N ATOM 329 CA LEU A 24 5.732 -10.453 -11.157 1.00 0.00 C ATOM 330 C LEU A 24 6.640 -10.987 -12.225 1.00 0.00 C ATOM 331 O LEU A 24 6.640 -12.171 -12.533 1.00 0.00 O ATOM 332 CB LEU A 24 6.492 -10.048 -9.889 1.00 0.00 C ATOM 333 CG LEU A 24 6.635 -11.078 -8.813 1.00 0.00 C ATOM 334 CD1 LEU A 24 7.435 -12.226 -9.305 1.00 0.00 C ATOM 335 CD2 LEU A 24 7.259 -10.450 -7.607 1.00 0.00 C ATOM 0 H LEU A 24 4.737 -11.874 -10.022 1.00 0.00 H new ATOM 0 HA LEU A 24 5.305 -9.547 -11.587 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.491 -9.727 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.992 -9.180 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 24 5.653 -11.459 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.532 -12.968 -8.513 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.937 -12.675 -10.164 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.425 -11.879 -9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.365 -11.198 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.242 -10.057 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.626 -9.637 -7.252 1.00 0.00 H new ATOM 347 N ARG A 25 7.392 -10.095 -12.786 1.00 0.00 N ATOM 348 CA ARG A 25 8.361 -10.419 -13.785 1.00 0.00 C ATOM 349 C ARG A 25 9.696 -10.423 -13.108 1.00 0.00 C ATOM 350 O ARG A 25 9.928 -9.603 -12.242 1.00 0.00 O ATOM 351 CB ARG A 25 8.335 -9.431 -14.963 1.00 0.00 C ATOM 352 CG ARG A 25 7.047 -9.437 -15.767 1.00 0.00 C ATOM 353 CD ARG A 25 5.910 -8.673 -15.107 1.00 0.00 C ATOM 354 NE ARG A 25 6.129 -7.214 -15.103 1.00 0.00 N ATOM 355 CZ ARG A 25 5.208 -6.287 -15.437 1.00 0.00 C ATOM 356 NH1 ARG A 25 3.974 -6.648 -15.757 1.00 0.00 N ATOM 357 NH2 ARG A 25 5.541 -5.004 -15.416 1.00 0.00 N ATOM 0 H ARG A 25 7.349 -9.102 -12.559 1.00 0.00 H new ATOM 0 HA ARG A 25 8.139 -11.394 -14.219 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.503 -8.425 -14.579 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.165 -9.661 -15.631 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.240 -9.006 -16.749 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.734 -10.469 -15.928 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.979 -8.895 -15.628 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.792 -9.021 -14.081 1.00 0.00 H new ATOM 0 HE ARG A 25 7.052 -6.879 -14.825 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.714 -7.634 -15.752 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.284 -5.940 -16.008 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.486 -4.727 -15.149 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.853 -4.294 -15.667 1.00 0.00 H new ATOM 371 N LYS A 26 10.555 -11.311 -13.519 1.00 0.00 N ATOM 372 CA LYS A 26 11.828 -11.618 -12.823 1.00 0.00 C ATOM 373 C LYS A 26 12.773 -10.425 -12.547 1.00 0.00 C ATOM 374 O LYS A 26 13.591 -10.491 -11.635 1.00 0.00 O ATOM 375 CB LYS A 26 12.553 -12.783 -13.509 1.00 0.00 C ATOM 376 CG LYS A 26 12.819 -12.561 -14.995 1.00 0.00 C ATOM 377 CD LYS A 26 13.394 -13.803 -15.680 1.00 0.00 C ATOM 378 CE LYS A 26 14.757 -14.215 -15.126 1.00 0.00 C ATOM 379 NZ LYS A 26 15.801 -13.197 -15.372 1.00 0.00 N ATOM 0 H LYS A 26 10.412 -11.868 -14.362 1.00 0.00 H new ATOM 0 HA LYS A 26 11.522 -11.915 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.503 -12.955 -13.002 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.959 -13.689 -13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.890 -12.275 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.513 -11.729 -15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.695 -14.631 -15.563 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.486 -13.612 -16.749 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.671 -14.391 -14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.060 -15.158 -15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.722 -13.560 -15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.846 -12.984 -16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.570 -12.329 -14.847 1.00 0.00 H new ATOM 393 N GLY A 27 12.645 -9.367 -13.280 1.00 0.00 N ATOM 394 CA GLY A 27 13.495 -8.236 -13.078 1.00 0.00 C ATOM 395 C GLY A 27 12.694 -6.975 -13.082 1.00 0.00 C ATOM 396 O GLY A 27 13.162 -5.930 -13.536 1.00 0.00 O ATOM 0 H GLY A 27 11.958 -9.261 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.024 -8.335 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.251 -8.197 -13.862 1.00 0.00 H new ATOM 400 N ASP A 28 11.479 -7.063 -12.588 1.00 0.00 N ATOM 401 CA ASP A 28 10.593 -5.899 -12.578 1.00 0.00 C ATOM 402 C ASP A 28 10.850 -5.046 -11.330 1.00 0.00 C ATOM 403 O ASP A 28 11.719 -5.381 -10.525 1.00 0.00 O ATOM 404 CB ASP A 28 9.134 -6.328 -12.625 1.00 0.00 C ATOM 405 CG ASP A 28 8.271 -5.281 -13.266 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.802 -4.389 -12.590 1.00 0.00 O ATOM 407 OD2 ASP A 28 8.081 -5.340 -14.493 1.00 0.00 O ATOM 0 H ASP A 28 11.077 -7.912 -12.191 1.00 0.00 H new ATOM 0 HA ASP A 28 10.805 -5.303 -13.466 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.046 -7.262 -13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.779 -6.524 -11.613 1.00 0.00 H new ATOM 412 N THR A 29 10.084 -3.992 -11.156 1.00 0.00 N ATOM 413 CA THR A 29 10.248 -3.082 -10.055 1.00 0.00 C ATOM 414 C THR A 29 8.920 -2.867 -9.348 1.00 0.00 C ATOM 415 O THR A 29 7.929 -2.437 -9.954 1.00 0.00 O ATOM 416 CB THR A 29 10.812 -1.732 -10.532 1.00 0.00 C ATOM 417 OG1 THR A 29 12.078 -1.946 -11.187 1.00 0.00 O ATOM 418 CG2 THR A 29 10.992 -0.780 -9.356 1.00 0.00 C ATOM 0 H THR A 29 9.321 -3.744 -11.786 1.00 0.00 H new ATOM 0 HA THR A 29 10.959 -3.523 -9.357 1.00 0.00 H new ATOM 0 HB THR A 29 10.108 -1.284 -11.233 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.437 -1.087 -11.493 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.392 0.169 -9.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.029 -0.610 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.684 -1.217 -8.637 1.00 0.00 H new ATOM 426 N TRP A 30 8.912 -3.175 -8.088 1.00 0.00 N ATOM 427 CA TRP A 30 7.754 -3.059 -7.268 1.00 0.00 C ATOM 428 C TRP A 30 7.981 -1.966 -6.222 1.00 0.00 C ATOM 429 O TRP A 30 9.105 -1.722 -5.800 1.00 0.00 O ATOM 430 CB TRP A 30 7.435 -4.416 -6.624 1.00 0.00 C ATOM 431 CG TRP A 30 6.845 -5.443 -7.583 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.352 -5.867 -8.783 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.636 -6.188 -7.387 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.516 -6.802 -9.339 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.459 -7.018 -8.498 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.692 -6.221 -6.381 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.359 -7.881 -8.623 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.606 -7.069 -6.497 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.449 -7.889 -7.611 1.00 0.00 C ATOM 0 H TRP A 30 9.733 -3.522 -7.592 1.00 0.00 H new ATOM 0 HA TRP A 30 6.892 -2.772 -7.871 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.349 -4.823 -6.191 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.736 -4.260 -5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.273 -5.517 -9.226 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.660 -7.263 -10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.800 -5.590 -5.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.239 -8.515 -9.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.867 -7.096 -5.710 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.591 -8.542 -7.673 1.00 0.00 H new ATOM 450 N TYR A 31 6.935 -1.313 -5.837 1.00 0.00 N ATOM 451 CA TYR A 31 6.996 -0.187 -4.920 1.00 0.00 C ATOM 452 C TYR A 31 6.479 -0.560 -3.559 1.00 0.00 C ATOM 453 O TYR A 31 5.526 -1.332 -3.451 1.00 0.00 O ATOM 454 CB TYR A 31 6.178 0.940 -5.479 1.00 0.00 C ATOM 455 CG TYR A 31 6.780 1.587 -6.701 1.00 0.00 C ATOM 456 CD1 TYR A 31 7.653 2.650 -6.568 1.00 0.00 C ATOM 457 CD2 TYR A 31 6.474 1.147 -7.980 1.00 0.00 C ATOM 458 CE1 TYR A 31 8.209 3.261 -7.666 1.00 0.00 C ATOM 459 CE2 TYR A 31 7.027 1.752 -9.089 1.00 0.00 C ATOM 460 CZ TYR A 31 7.894 2.811 -8.926 1.00 0.00 C ATOM 461 OH TYR A 31 8.454 3.421 -10.035 1.00 0.00 O ATOM 0 H TYR A 31 5.990 -1.539 -6.147 1.00 0.00 H new ATOM 0 HA TYR A 31 8.037 0.117 -4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.186 0.565 -5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.046 1.698 -4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.903 3.008 -5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.793 0.319 -8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.890 4.090 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.782 1.398 -10.080 1.00 0.00 H new ATOM 0 HH TYR A 31 8.129 2.982 -10.849 1.00 0.00 H new ATOM 471 N LEU A 32 7.106 -0.029 -2.529 1.00 0.00 N ATOM 472 CA LEU A 32 6.731 -0.344 -1.173 1.00 0.00 C ATOM 473 C LEU A 32 5.746 0.617 -0.585 1.00 0.00 C ATOM 474 O LEU A 32 5.900 1.824 -0.648 1.00 0.00 O ATOM 475 CB LEU A 32 7.930 -0.496 -0.213 1.00 0.00 C ATOM 476 CG LEU A 32 8.856 -1.677 -0.465 1.00 0.00 C ATOM 477 CD1 LEU A 32 9.667 -1.468 -1.678 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.748 -1.943 0.690 1.00 0.00 C ATOM 0 H LEU A 32 7.883 0.627 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 32 6.248 -1.316 -1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.522 0.418 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.545 -0.575 0.804 1.00 0.00 H new ATOM 0 HG LEU A 32 8.216 -2.548 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.319 -2.328 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.010 -1.351 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.273 -0.570 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.391 -2.794 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.364 -1.065 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.146 -2.166 1.571 1.00 0.00 H new ATOM 490 N VAL A 33 4.768 0.049 0.012 1.00 0.00 N ATOM 491 CA VAL A 33 3.765 0.760 0.758 1.00 0.00 C ATOM 492 C VAL A 33 3.912 0.276 2.147 1.00 0.00 C ATOM 493 O VAL A 33 4.245 -0.880 2.342 1.00 0.00 O ATOM 494 CB VAL A 33 2.291 0.455 0.279 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.245 1.032 1.230 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.033 1.034 -1.065 1.00 0.00 C ATOM 0 H VAL A 33 4.626 -0.961 0.003 1.00 0.00 H new ATOM 0 HA VAL A 33 3.909 1.833 0.634 1.00 0.00 H new ATOM 0 HB VAL A 33 2.207 -0.631 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.247 0.797 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.375 0.598 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.365 2.114 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.011 0.808 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.170 2.115 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.729 0.605 -1.786 1.00 0.00 H new ATOM 506 N ASP A 34 3.751 1.131 3.097 1.00 0.00 N ATOM 507 CA ASP A 34 3.733 0.688 4.453 1.00 0.00 C ATOM 508 C ASP A 34 2.494 -0.142 4.647 1.00 0.00 C ATOM 509 O ASP A 34 1.379 0.301 4.319 1.00 0.00 O ATOM 510 CB ASP A 34 3.764 1.862 5.410 1.00 0.00 C ATOM 511 CG ASP A 34 3.372 1.479 6.806 1.00 0.00 C ATOM 512 OD1 ASP A 34 3.828 0.439 7.301 1.00 0.00 O ATOM 513 OD2 ASP A 34 2.560 2.194 7.407 1.00 0.00 O ATOM 0 H ASP A 34 3.630 2.135 2.965 1.00 0.00 H new ATOM 0 HA ASP A 34 4.619 0.090 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.767 2.289 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.091 2.639 5.048 1.00 0.00 H new ATOM 518 N SER A 35 2.672 -1.328 5.165 1.00 0.00 N ATOM 519 CA SER A 35 1.591 -2.245 5.292 1.00 0.00 C ATOM 520 C SER A 35 0.603 -1.681 6.300 1.00 0.00 C ATOM 521 O SER A 35 -0.589 -1.853 6.168 1.00 0.00 O ATOM 522 CB SER A 35 2.096 -3.590 5.785 1.00 0.00 C ATOM 523 OG SER A 35 1.151 -4.602 5.546 1.00 0.00 O ATOM 0 H SER A 35 3.568 -1.676 5.506 1.00 0.00 H new ATOM 0 HA SER A 35 1.114 -2.385 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.032 -3.836 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.311 -3.533 6.852 1.00 0.00 H new ATOM 0 HG SER A 35 1.607 -5.467 5.486 1.00 0.00 H new ATOM 529 N ARG A 36 1.116 -0.922 7.255 1.00 0.00 N ATOM 530 CA ARG A 36 0.311 -0.370 8.320 1.00 0.00 C ATOM 531 C ARG A 36 -0.595 0.740 7.805 1.00 0.00 C ATOM 532 O ARG A 36 -1.698 0.958 8.328 1.00 0.00 O ATOM 533 CB ARG A 36 1.210 0.099 9.429 1.00 0.00 C ATOM 534 CG ARG A 36 2.101 -1.018 9.896 1.00 0.00 C ATOM 535 CD ARG A 36 2.995 -0.605 11.009 1.00 0.00 C ATOM 536 NE ARG A 36 2.254 -0.281 12.225 1.00 0.00 N ATOM 537 CZ ARG A 36 2.285 -0.997 13.356 1.00 0.00 C ATOM 538 NH1 ARG A 36 2.928 -2.178 13.398 1.00 0.00 N ATOM 539 NH2 ARG A 36 1.664 -0.543 14.438 1.00 0.00 N ATOM 0 H ARG A 36 2.104 -0.674 7.309 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.347 -1.144 8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.817 0.935 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.609 0.464 10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.486 -1.857 10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.706 -1.370 9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.702 -1.407 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.579 0.262 10.700 1.00 0.00 H new ATOM 0 HE ARG A 36 1.668 0.554 12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.396 -2.534 12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.947 -2.718 14.263 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.167 0.347 14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.684 -1.084 15.302 1.00 0.00 H new ATOM 553 N TRP A 37 -0.141 1.426 6.775 1.00 0.00 N ATOM 554 CA TRP A 37 -0.948 2.421 6.098 1.00 0.00 C ATOM 555 C TRP A 37 -2.061 1.684 5.354 1.00 0.00 C ATOM 556 O TRP A 37 -3.233 2.033 5.442 1.00 0.00 O ATOM 557 CB TRP A 37 -0.070 3.250 5.110 1.00 0.00 C ATOM 558 CG TRP A 37 -0.829 4.276 4.297 1.00 0.00 C ATOM 559 CD1 TRP A 37 -0.989 5.608 4.570 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.529 4.035 3.070 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.756 6.196 3.585 1.00 0.00 N ATOM 562 CE2 TRP A 37 -2.101 5.247 2.660 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.724 2.900 2.292 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.864 5.348 1.495 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.465 2.989 1.154 1.00 0.00 C ATOM 566 CH2 TRP A 37 -3.036 4.206 0.755 1.00 0.00 C ATOM 0 H TRP A 37 0.794 1.310 6.385 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.378 3.121 6.815 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.708 3.760 5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.431 2.564 4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.577 6.121 5.427 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.023 7.180 3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.291 1.956 2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.301 6.287 1.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.616 2.108 0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.622 4.245 -0.151 1.00 0.00 H new ATOM 577 N PHE A 38 -1.668 0.637 4.650 1.00 0.00 N ATOM 578 CA PHE A 38 -2.575 -0.189 3.881 1.00 0.00 C ATOM 579 C PHE A 38 -3.625 -0.856 4.792 1.00 0.00 C ATOM 580 O PHE A 38 -4.777 -0.943 4.425 1.00 0.00 O ATOM 581 CB PHE A 38 -1.775 -1.230 3.126 1.00 0.00 C ATOM 582 CG PHE A 38 -2.518 -1.967 2.035 1.00 0.00 C ATOM 583 CD1 PHE A 38 -3.336 -3.053 2.321 1.00 0.00 C ATOM 584 CD2 PHE A 38 -2.350 -1.596 0.710 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.974 -3.744 1.312 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.976 -2.291 -0.302 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.790 -3.367 -0.001 1.00 0.00 C ATOM 0 H PHE A 38 -0.695 0.334 4.597 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.115 0.437 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.907 -0.742 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.399 -1.961 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.474 -3.360 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.721 -0.752 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.616 -4.579 1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.831 -1.995 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.281 -3.912 -0.794 1.00 0.00 H new ATOM 597 N LYS A 39 -3.212 -1.358 5.970 1.00 0.00 N ATOM 598 CA LYS A 39 -4.129 -1.906 6.934 1.00 0.00 C ATOM 599 C LYS A 39 -5.221 -0.906 7.313 1.00 0.00 C ATOM 600 O LYS A 39 -6.397 -1.273 7.416 1.00 0.00 O ATOM 601 CB LYS A 39 -3.397 -2.401 8.176 1.00 0.00 C ATOM 602 CG LYS A 39 -2.995 -3.896 8.203 1.00 0.00 C ATOM 603 CD LYS A 39 -1.882 -4.378 7.234 1.00 0.00 C ATOM 604 CE LYS A 39 -2.328 -4.446 5.781 1.00 0.00 C ATOM 605 NZ LYS A 39 -1.356 -5.132 4.911 1.00 0.00 N ATOM 0 H LYS A 39 -2.235 -1.386 6.261 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.614 -2.760 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.493 -1.804 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.028 -2.204 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.679 -4.137 9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.890 -4.484 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.028 -3.706 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.541 -5.365 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.286 -4.963 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.490 -3.434 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.655 -5.044 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.418 -4.699 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.308 -6.138 5.170 1.00 0.00 H new ATOM 619 N GLN A 40 -4.829 0.342 7.481 1.00 0.00 N ATOM 620 CA GLN A 40 -5.721 1.414 7.763 1.00 0.00 C ATOM 621 C GLN A 40 -6.650 1.640 6.568 1.00 0.00 C ATOM 622 O GLN A 40 -7.864 1.841 6.735 1.00 0.00 O ATOM 623 CB GLN A 40 -4.867 2.633 8.028 1.00 0.00 C ATOM 624 CG GLN A 40 -5.614 3.885 8.260 1.00 0.00 C ATOM 625 CD GLN A 40 -6.413 3.854 9.539 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.938 4.251 10.601 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.619 3.381 9.457 1.00 0.00 N ATOM 0 H GLN A 40 -3.852 0.630 7.421 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.350 1.198 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.241 2.436 8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.198 2.780 7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.915 4.720 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.286 4.064 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.981 3.060 8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.205 3.330 10.291 1.00 0.00 H new ATOM 636 N TRP A 41 -6.073 1.586 5.386 1.00 0.00 N ATOM 637 CA TRP A 41 -6.803 1.722 4.148 1.00 0.00 C ATOM 638 C TRP A 41 -7.850 0.619 3.988 1.00 0.00 C ATOM 639 O TRP A 41 -8.956 0.903 3.573 1.00 0.00 O ATOM 640 CB TRP A 41 -5.833 1.769 2.951 1.00 0.00 C ATOM 641 CG TRP A 41 -6.495 1.831 1.602 1.00 0.00 C ATOM 642 CD1 TRP A 41 -7.129 2.897 1.035 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.559 0.782 0.646 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.608 2.564 -0.201 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.258 1.271 -0.469 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.099 -0.526 0.627 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.497 0.493 -1.585 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.341 -1.292 -0.486 1.00 0.00 C ATOM 649 CH2 TRP A 41 -7.030 -0.781 -1.574 1.00 0.00 C ATOM 0 H TRP A 41 -5.071 1.445 5.259 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.345 2.667 4.176 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.184 2.638 3.062 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.193 0.887 2.986 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.237 3.867 1.497 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.138 3.178 -0.820 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.561 -0.934 1.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.036 0.884 -2.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.988 -2.312 -0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.199 -1.412 -2.434 1.00 0.00 H new ATOM 660 N LYS A 42 -7.516 -0.631 4.373 1.00 0.00 N ATOM 661 CA LYS A 42 -8.461 -1.755 4.248 1.00 0.00 C ATOM 662 C LYS A 42 -9.731 -1.471 4.983 1.00 0.00 C ATOM 663 O LYS A 42 -10.810 -1.771 4.488 1.00 0.00 O ATOM 664 CB LYS A 42 -7.919 -3.015 4.841 1.00 0.00 C ATOM 665 CG LYS A 42 -6.594 -3.447 4.353 1.00 0.00 C ATOM 666 CD LYS A 42 -6.172 -4.792 4.943 1.00 0.00 C ATOM 667 CE LYS A 42 -6.280 -4.897 6.498 1.00 0.00 C ATOM 668 NZ LYS A 42 -7.662 -5.127 7.004 1.00 0.00 N ATOM 0 H LYS A 42 -6.610 -0.883 4.768 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.630 -1.875 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.861 -2.888 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.632 -3.817 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.615 -3.520 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.851 -2.691 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.786 -5.575 4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.141 -4.991 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.641 -5.711 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.892 -3.979 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.827 -4.535 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.349 -4.878 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.776 -6.129 7.259 1.00 0.00 H new ATOM 682 N LYS A 43 -9.588 -0.917 6.184 1.00 0.00 N ATOM 683 CA LYS A 43 -10.714 -0.554 6.996 1.00 0.00 C ATOM 684 C LYS A 43 -11.569 0.423 6.248 1.00 0.00 C ATOM 685 O LYS A 43 -12.739 0.188 6.025 1.00 0.00 O ATOM 686 CB LYS A 43 -10.230 0.128 8.257 1.00 0.00 C ATOM 687 CG LYS A 43 -9.490 -0.734 9.231 1.00 0.00 C ATOM 688 CD LYS A 43 -8.984 0.143 10.339 1.00 0.00 C ATOM 689 CE LYS A 43 -8.453 -0.654 11.510 1.00 0.00 C ATOM 690 NZ LYS A 43 -7.996 0.218 12.610 1.00 0.00 N ATOM 0 H LYS A 43 -8.683 -0.713 6.609 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.279 -1.453 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.582 0.957 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.092 0.558 8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.146 -1.509 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.661 -1.240 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.195 0.789 9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.790 0.793 10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.232 -1.322 11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.626 -1.281 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.640 -0.368 13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.235 0.839 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.791 0.798 12.946 1.00 0.00 H new ATOM 704 N TYR A 44 -10.916 1.459 5.779 1.00 0.00 N ATOM 705 CA TYR A 44 -11.535 2.595 5.169 1.00 0.00 C ATOM 706 C TYR A 44 -12.228 2.247 3.860 1.00 0.00 C ATOM 707 O TYR A 44 -13.315 2.720 3.584 1.00 0.00 O ATOM 708 CB TYR A 44 -10.443 3.675 4.993 1.00 0.00 C ATOM 709 CG TYR A 44 -10.524 4.534 3.762 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.371 5.631 3.667 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.722 4.233 2.688 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.395 6.393 2.508 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.741 4.973 1.551 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.563 6.043 1.455 1.00 0.00 C ATOM 715 OH TYR A 44 -10.574 6.746 0.286 1.00 0.00 O ATOM 0 H TYR A 44 -9.899 1.529 5.817 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.333 2.973 5.808 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.470 4.329 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.472 3.179 4.997 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.012 5.891 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.058 3.384 2.751 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.052 7.246 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.100 4.708 0.723 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.229 7.473 0.347 1.00 0.00 H new ATOM 725 N VAL A 45 -11.603 1.433 3.082 1.00 0.00 N ATOM 726 CA VAL A 45 -12.083 1.095 1.806 1.00 0.00 C ATOM 727 C VAL A 45 -12.995 -0.144 1.842 1.00 0.00 C ATOM 728 O VAL A 45 -13.710 -0.419 0.878 1.00 0.00 O ATOM 729 CB VAL A 45 -10.876 0.828 0.910 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.262 -0.503 1.092 1.00 0.00 C ATOM 731 CG2 VAL A 45 -11.158 1.086 -0.449 1.00 0.00 C ATOM 0 H VAL A 45 -10.724 0.978 3.330 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.684 1.919 1.422 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.122 1.541 1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.413 -0.607 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.922 -0.609 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.998 -1.276 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.271 0.883 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.975 0.444 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.446 2.130 -0.569 1.00 0.00 H new ATOM 741 N GLY A 46 -12.995 -0.858 2.962 1.00 0.00 N ATOM 742 CA GLY A 46 -13.658 -2.089 3.037 1.00 0.00 C ATOM 743 C GLY A 46 -13.062 -3.129 2.117 1.00 0.00 C ATOM 744 O GLY A 46 -13.777 -3.839 1.421 1.00 0.00 O ATOM 0 H GLY A 46 -12.528 -0.574 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.622 -2.454 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.709 -1.947 2.786 1.00 0.00 H new ATOM 748 N PHE A 47 -11.739 -3.203 2.132 1.00 0.00 N ATOM 749 CA PHE A 47 -10.974 -4.112 1.293 1.00 0.00 C ATOM 750 C PHE A 47 -11.213 -5.562 1.662 1.00 0.00 C ATOM 751 O PHE A 47 -11.546 -6.391 0.813 1.00 0.00 O ATOM 752 CB PHE A 47 -9.484 -3.784 1.465 1.00 0.00 C ATOM 753 CG PHE A 47 -8.538 -4.667 0.717 1.00 0.00 C ATOM 754 CD1 PHE A 47 -8.346 -4.499 -0.630 1.00 0.00 C ATOM 755 CD2 PHE A 47 -7.830 -5.651 1.376 1.00 0.00 C ATOM 756 CE1 PHE A 47 -7.463 -5.301 -1.326 1.00 0.00 C ATOM 757 CE2 PHE A 47 -6.946 -6.463 0.696 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.762 -6.287 -0.661 1.00 0.00 C ATOM 0 H PHE A 47 -11.158 -2.623 2.738 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.292 -3.981 0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.318 -2.754 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.239 -3.835 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.893 -3.729 -1.154 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.970 -5.787 2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.321 -5.157 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.401 -7.232 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.072 -6.919 -1.201 1.00 0.00 H new ATOM 768 N ASP A 48 -11.039 -5.859 2.904 1.00 0.00 N ATOM 769 CA ASP A 48 -11.146 -7.195 3.387 1.00 0.00 C ATOM 770 C ASP A 48 -12.485 -7.433 4.006 1.00 0.00 C ATOM 771 O ASP A 48 -12.735 -7.063 5.133 1.00 0.00 O ATOM 772 CB ASP A 48 -9.985 -7.538 4.336 1.00 0.00 C ATOM 773 CG ASP A 48 -9.785 -6.594 5.499 1.00 0.00 C ATOM 774 OD1 ASP A 48 -9.862 -5.362 5.322 1.00 0.00 O ATOM 775 OD2 ASP A 48 -9.461 -7.066 6.603 1.00 0.00 O ATOM 0 H ASP A 48 -10.815 -5.172 3.624 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.065 -7.875 2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.147 -8.541 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.063 -7.569 3.755 1.00 0.00 H new ATOM 780 N SER A 49 -13.347 -8.054 3.228 1.00 0.00 N ATOM 781 CA SER A 49 -14.738 -8.332 3.558 1.00 0.00 C ATOM 782 C SER A 49 -14.940 -8.992 4.939 1.00 0.00 C ATOM 783 O SER A 49 -15.955 -8.762 5.598 1.00 0.00 O ATOM 784 CB SER A 49 -15.295 -9.193 2.457 1.00 0.00 C ATOM 785 OG SER A 49 -14.955 -8.620 1.202 1.00 0.00 O ATOM 0 H SER A 49 -13.089 -8.397 2.303 1.00 0.00 H new ATOM 0 HA SER A 49 -15.270 -7.384 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.893 -10.204 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.378 -9.273 2.553 1.00 0.00 H new ATOM 0 HG SER A 49 -15.314 -9.177 0.480 1.00 0.00 H new ATOM 791 N TRP A 50 -13.966 -9.761 5.396 1.00 0.00 N ATOM 792 CA TRP A 50 -14.059 -10.415 6.693 1.00 0.00 C ATOM 793 C TRP A 50 -13.902 -9.413 7.836 1.00 0.00 C ATOM 794 O TRP A 50 -14.167 -9.731 9.002 1.00 0.00 O ATOM 795 CB TRP A 50 -13.037 -11.553 6.820 1.00 0.00 C ATOM 796 CG TRP A 50 -11.591 -11.147 6.674 1.00 0.00 C ATOM 797 CD1 TRP A 50 -10.731 -10.788 7.672 1.00 0.00 C ATOM 798 CD2 TRP A 50 -10.838 -11.081 5.461 1.00 0.00 C ATOM 799 NE1 TRP A 50 -9.492 -10.529 7.150 1.00 0.00 N ATOM 800 CE2 TRP A 50 -9.530 -10.696 5.800 1.00 0.00 C ATOM 801 CE3 TRP A 50 -11.143 -11.317 4.127 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -8.528 -10.544 4.846 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -10.154 -11.163 3.178 1.00 0.00 C ATOM 804 CH2 TRP A 50 -8.859 -10.783 3.541 1.00 0.00 C ATOM 0 H TRP A 50 -13.101 -9.949 4.889 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.056 -10.850 6.765 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -13.167 -12.027 7.793 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.263 -12.306 6.065 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -10.990 -10.719 8.718 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.670 -10.254 7.688 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -12.139 -11.617 3.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.528 -10.249 5.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -10.384 -11.339 2.138 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.105 -10.676 2.776 1.00 0.00 H new ATOM 815 N ASP A 51 -13.484 -8.224 7.501 1.00 0.00 N ATOM 816 CA ASP A 51 -13.291 -7.169 8.472 1.00 0.00 C ATOM 817 C ASP A 51 -13.994 -5.925 8.016 1.00 0.00 C ATOM 818 O ASP A 51 -15.193 -5.799 8.273 1.00 0.00 O ATOM 819 CB ASP A 51 -11.803 -6.969 8.766 1.00 0.00 C ATOM 820 CG ASP A 51 -11.502 -5.928 9.812 1.00 0.00 C ATOM 821 OD1 ASP A 51 -11.468 -6.274 11.013 1.00 0.00 O ATOM 822 OD2 ASP A 51 -11.219 -4.773 9.452 1.00 0.00 O ATOM 0 H ASP A 51 -13.265 -7.952 6.543 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.741 -7.450 9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.379 -7.920 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.298 -6.691 7.841 1.00 0.00 H new ATOM 827 N LYS A 52 -13.271 -5.028 7.333 1.00 0.00 N ATOM 828 CA LYS A 52 -13.805 -3.827 6.658 1.00 0.00 C ATOM 829 C LYS A 52 -14.871 -3.011 7.441 1.00 0.00 C ATOM 830 O LYS A 52 -15.671 -2.282 6.843 1.00 0.00 O ATOM 831 CB LYS A 52 -14.277 -4.188 5.235 1.00 0.00 C ATOM 832 CG LYS A 52 -15.292 -5.298 5.027 1.00 0.00 C ATOM 833 CD LYS A 52 -16.572 -4.967 5.674 1.00 0.00 C ATOM 834 CE LYS A 52 -17.687 -5.896 5.252 1.00 0.00 C ATOM 835 NZ LYS A 52 -18.985 -5.492 5.818 1.00 0.00 N ATOM 0 H LYS A 52 -12.260 -5.118 7.229 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.966 -3.133 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.693 -3.283 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.391 -4.448 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.450 -5.457 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.905 -6.232 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.452 -5.015 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.845 -3.941 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.755 -5.911 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.453 -6.912 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.722 -6.155 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.929 -5.502 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.222 -4.533 5.494 1.00 0.00 H new ATOM 849 N TYR A 53 -14.794 -3.051 8.750 1.00 0.00 N ATOM 850 CA TYR A 53 -15.808 -2.452 9.656 1.00 0.00 C ATOM 851 C TYR A 53 -15.949 -0.936 9.569 1.00 0.00 C ATOM 852 O TYR A 53 -16.840 -0.347 10.179 1.00 0.00 O ATOM 853 CB TYR A 53 -15.574 -2.860 11.121 1.00 0.00 C ATOM 854 CG TYR A 53 -14.253 -2.492 11.772 1.00 0.00 C ATOM 855 CD1 TYR A 53 -13.049 -2.979 11.308 1.00 0.00 C ATOM 856 CD2 TYR A 53 -14.236 -1.664 12.885 1.00 0.00 C ATOM 857 CE1 TYR A 53 -11.856 -2.648 11.925 1.00 0.00 C ATOM 858 CE2 TYR A 53 -13.052 -1.326 13.510 1.00 0.00 C ATOM 859 CZ TYR A 53 -11.865 -1.819 13.026 1.00 0.00 C ATOM 860 OH TYR A 53 -10.683 -1.478 13.644 1.00 0.00 O ATOM 0 H TYR A 53 -14.024 -3.501 9.245 1.00 0.00 H new ATOM 0 HA TYR A 53 -16.749 -2.865 9.294 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -16.372 -2.421 11.719 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -15.686 -3.942 11.186 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.037 -3.631 10.447 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -15.167 -1.276 13.270 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.923 -3.037 11.546 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.059 -0.678 14.374 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.869 -0.886 14.403 1.00 0.00 H new ATOM 870 N GLN A 54 -15.108 -0.342 8.800 1.00 0.00 N ATOM 871 CA GLN A 54 -14.961 1.072 8.722 1.00 0.00 C ATOM 872 C GLN A 54 -15.042 1.540 7.280 1.00 0.00 C ATOM 873 O GLN A 54 -14.497 2.582 6.925 1.00 0.00 O ATOM 874 CB GLN A 54 -13.608 1.339 9.249 1.00 0.00 C ATOM 875 CG GLN A 54 -13.461 0.814 10.657 1.00 0.00 C ATOM 876 CD GLN A 54 -14.032 1.688 11.721 1.00 0.00 C ATOM 877 OE1 GLN A 54 -13.189 2.455 12.335 1.00 0.00 O flip ATOM 878 NE2 GLN A 54 -15.207 1.597 12.054 1.00 0.00 N flip ATOM 0 H GLN A 54 -14.475 -0.848 8.180 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.743 1.591 9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.864 0.872 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.414 2.411 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.940 -0.163 10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.401 0.662 10.863 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.836 0.979 11.541 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.556 2.139 12.844 1.00 0.00 H new ATOM 887 N MET A 55 -15.690 0.741 6.456 1.00 0.00 N ATOM 888 CA MET A 55 -15.862 1.000 5.053 1.00 0.00 C ATOM 889 C MET A 55 -16.548 2.350 4.830 1.00 0.00 C ATOM 890 O MET A 55 -17.730 2.521 5.136 1.00 0.00 O ATOM 891 CB MET A 55 -16.703 -0.113 4.429 1.00 0.00 C ATOM 892 CG MET A 55 -16.823 0.020 2.946 1.00 0.00 C ATOM 893 SD MET A 55 -18.007 -1.130 2.181 1.00 0.00 S ATOM 894 CE MET A 55 -17.257 -2.725 2.515 1.00 0.00 C ATOM 0 H MET A 55 -16.122 -0.131 6.760 1.00 0.00 H new ATOM 0 HA MET A 55 -14.880 1.030 4.581 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.257 -1.078 4.669 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.699 -0.103 4.873 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.122 1.041 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.842 -0.138 2.499 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.012 -3.507 2.431 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.461 -2.911 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 55 -16.842 -2.728 3.523 1.00 0.00 H new ATOM 904 N GLY A 56 -15.794 3.298 4.355 1.00 0.00 N ATOM 905 CA GLY A 56 -16.302 4.614 4.097 1.00 0.00 C ATOM 906 C GLY A 56 -16.365 5.462 5.351 1.00 0.00 C ATOM 907 O GLY A 56 -17.068 6.477 5.383 1.00 0.00 O ATOM 0 H GLY A 56 -14.805 3.180 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.669 5.107 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.299 4.538 3.662 1.00 0.00 H new ATOM 911 N ASP A 57 -15.659 5.047 6.390 1.00 0.00 N ATOM 912 CA ASP A 57 -15.626 5.811 7.631 1.00 0.00 C ATOM 913 C ASP A 57 -14.519 6.838 7.506 1.00 0.00 C ATOM 914 O ASP A 57 -13.548 6.632 6.781 1.00 0.00 O ATOM 915 CB ASP A 57 -15.356 4.908 8.859 1.00 0.00 C ATOM 916 CG ASP A 57 -15.772 5.553 10.162 1.00 0.00 C ATOM 917 OD1 ASP A 57 -15.314 6.661 10.466 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.558 4.950 10.913 1.00 0.00 O ATOM 0 H ASP A 57 -15.104 4.191 6.402 1.00 0.00 H new ATOM 0 HA ASP A 57 -16.596 6.283 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.892 3.967 8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.294 4.667 8.901 1.00 0.00 H new ATOM 923 N GLN A 58 -14.686 7.957 8.129 1.00 0.00 N ATOM 924 CA GLN A 58 -13.690 8.999 8.073 1.00 0.00 C ATOM 925 C GLN A 58 -12.621 8.790 9.113 1.00 0.00 C ATOM 926 O GLN A 58 -11.505 9.254 8.979 1.00 0.00 O ATOM 927 CB GLN A 58 -14.282 10.369 8.170 1.00 0.00 C ATOM 928 CG GLN A 58 -15.015 10.678 9.461 1.00 0.00 C ATOM 929 CD GLN A 58 -15.464 12.116 9.520 1.00 0.00 C ATOM 930 OE1 GLN A 58 -14.816 13.004 8.967 1.00 0.00 O ATOM 931 NE2 GLN A 58 -16.568 12.361 10.155 1.00 0.00 N ATOM 0 H GLN A 58 -15.507 8.184 8.690 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.224 8.931 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.483 11.100 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.974 10.506 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.881 10.023 9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.363 10.466 10.309 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -17.079 11.600 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.925 13.315 10.208 1.00 0.00 H new ATOM 940 N ASN A 59 -12.976 8.064 10.142 1.00 0.00 N ATOM 941 CA ASN A 59 -12.083 7.755 11.274 1.00 0.00 C ATOM 942 C ASN A 59 -10.874 6.964 10.832 1.00 0.00 C ATOM 943 O ASN A 59 -9.873 6.871 11.527 1.00 0.00 O ATOM 944 CB ASN A 59 -12.833 6.908 12.294 1.00 0.00 C ATOM 945 CG ASN A 59 -13.747 7.682 13.223 1.00 0.00 C ATOM 946 OD1 ASN A 59 -13.336 8.143 14.284 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.993 7.794 12.863 1.00 0.00 N ATOM 0 H ASN A 59 -13.906 7.655 10.236 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.758 8.704 11.700 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.427 6.165 11.761 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.106 6.363 12.896 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.658 8.275 13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -15.305 7.400 11.975 1.00 0.00 H new ATOM 954 N VAL A 60 -10.989 6.388 9.686 1.00 0.00 N ATOM 955 CA VAL A 60 -10.003 5.481 9.170 1.00 0.00 C ATOM 956 C VAL A 60 -9.367 5.990 7.924 1.00 0.00 C ATOM 957 O VAL A 60 -8.641 5.254 7.272 1.00 0.00 O ATOM 958 CB VAL A 60 -10.669 4.145 8.869 1.00 0.00 C ATOM 959 CG1 VAL A 60 -11.127 3.579 10.125 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.880 4.374 8.070 1.00 0.00 C ATOM 0 H VAL A 60 -11.784 6.532 9.063 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.224 5.373 9.925 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.963 3.499 8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.609 2.620 9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.276 3.434 10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.840 4.258 10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.359 3.419 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.570 5.007 8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.611 4.866 7.135 1.00 0.00 H new ATOM 970 N TYR A 61 -9.662 7.219 7.587 1.00 0.00 N ATOM 971 CA TYR A 61 -9.100 7.814 6.374 1.00 0.00 C ATOM 972 C TYR A 61 -7.554 7.845 6.446 1.00 0.00 C ATOM 973 O TYR A 61 -6.971 8.434 7.368 1.00 0.00 O ATOM 974 CB TYR A 61 -9.696 9.229 6.037 1.00 0.00 C ATOM 975 CG TYR A 61 -8.984 10.443 6.636 1.00 0.00 C ATOM 976 CD1 TYR A 61 -9.307 10.928 7.884 1.00 0.00 C ATOM 977 CD2 TYR A 61 -7.977 11.094 5.921 1.00 0.00 C ATOM 978 CE1 TYR A 61 -8.657 12.020 8.418 1.00 0.00 C ATOM 979 CE2 TYR A 61 -7.316 12.187 6.449 1.00 0.00 C ATOM 980 CZ TYR A 61 -7.663 12.647 7.700 1.00 0.00 C ATOM 981 OH TYR A 61 -6.999 13.728 8.248 1.00 0.00 O ATOM 0 H TYR A 61 -10.279 7.832 8.120 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.395 7.170 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.706 9.343 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.734 9.247 6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.085 10.443 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.710 10.737 4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.927 12.384 9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.535 12.676 5.886 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.327 14.055 7.614 1.00 0.00 H new ATOM 991 N PRO A 62 -6.878 7.138 5.551 1.00 0.00 N ATOM 992 CA PRO A 62 -5.461 7.167 5.462 1.00 0.00 C ATOM 993 C PRO A 62 -5.043 8.258 4.519 1.00 0.00 C ATOM 994 O PRO A 62 -5.336 8.207 3.325 1.00 0.00 O ATOM 995 CB PRO A 62 -5.090 5.794 4.889 1.00 0.00 C ATOM 996 CG PRO A 62 -6.381 5.175 4.466 1.00 0.00 C ATOM 997 CD PRO A 62 -7.433 6.238 4.568 1.00 0.00 C ATOM 0 HA PRO A 62 -4.975 7.360 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.407 5.893 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.587 5.180 5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.312 4.798 3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.628 4.326 5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.601 6.735 3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.392 5.830 4.888 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.460 9.267 5.075 1.00 0.00 N ATOM 1006 CA GLY A 63 -3.944 10.378 4.297 1.00 0.00 C ATOM 1007 C GLY A 63 -2.714 9.999 3.457 1.00 0.00 C ATOM 1008 O GLY A 63 -2.591 8.847 3.016 1.00 0.00 O ATOM 0 H GLY A 63 -4.321 9.359 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.728 10.748 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.681 11.195 4.969 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.767 10.937 3.254 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.583 10.703 2.419 1.00 0.00 C ATOM 1014 C PRO A 64 0.205 9.485 2.869 1.00 0.00 C ATOM 1015 O PRO A 64 0.433 9.289 4.079 1.00 0.00 O ATOM 1016 CB PRO A 64 0.249 11.977 2.586 1.00 0.00 C ATOM 1017 CG PRO A 64 -0.718 13.010 3.036 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.761 12.286 3.839 1.00 0.00 C ATOM 0 HA PRO A 64 -0.855 10.501 1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.045 11.836 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.725 12.264 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.222 13.771 3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.167 13.520 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.508 12.263 4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.737 12.765 3.755 1.00 0.00 H new ATOM 1026 N ILE A 65 0.589 8.667 1.907 1.00 0.00 N ATOM 1027 CA ILE A 65 1.312 7.447 2.167 1.00 0.00 C ATOM 1028 C ILE A 65 2.633 7.748 2.806 1.00 0.00 C ATOM 1029 O ILE A 65 3.431 8.550 2.288 1.00 0.00 O ATOM 1030 CB ILE A 65 1.561 6.644 0.876 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.236 6.324 0.206 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.331 5.357 1.189 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.376 5.697 -1.144 1.00 0.00 C ATOM 0 H ILE A 65 0.404 8.836 0.918 1.00 0.00 H new ATOM 0 HA ILE A 65 0.696 6.850 2.839 1.00 0.00 H new ATOM 0 HB ILE A 65 2.164 7.244 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.333 5.654 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.343 7.243 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.499 4.800 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.290 5.608 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.752 4.746 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.613 5.498 -1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.916 6.374 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.927 4.761 -1.055 1.00 0.00 H new ATOM 1045 N ASP A 66 2.851 7.145 3.926 1.00 0.00 N ATOM 1046 CA ASP A 66 4.070 7.301 4.611 1.00 0.00 C ATOM 1047 C ASP A 66 4.859 6.033 4.508 1.00 0.00 C ATOM 1048 O ASP A 66 4.387 4.944 4.807 1.00 0.00 O ATOM 1049 CB ASP A 66 3.858 7.695 6.084 1.00 0.00 C ATOM 1050 CG ASP A 66 3.239 6.620 6.954 1.00 0.00 C ATOM 1051 OD1 ASP A 66 2.018 6.369 6.838 1.00 0.00 O ATOM 1052 OD2 ASP A 66 3.956 6.046 7.802 1.00 0.00 O ATOM 0 H ASP A 66 2.180 6.530 4.386 1.00 0.00 H new ATOM 0 HA ASP A 66 4.624 8.116 4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.821 7.976 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.223 8.580 6.119 1.00 0.00 H new ATOM 1057 N ASN A 67 6.019 6.160 3.984 1.00 0.00 N ATOM 1058 CA ASN A 67 6.964 5.088 3.983 1.00 0.00 C ATOM 1059 C ASN A 67 7.939 5.355 5.093 1.00 0.00 C ATOM 1060 O ASN A 67 8.922 4.672 5.239 1.00 0.00 O ATOM 1061 CB ASN A 67 7.710 4.978 2.643 1.00 0.00 C ATOM 1062 CG ASN A 67 6.846 4.536 1.457 1.00 0.00 C ATOM 1063 OD1 ASN A 67 5.855 3.710 1.696 1.00 0.00 O flip ATOM 1064 ND2 ASN A 67 7.089 4.928 0.326 1.00 0.00 N flip ATOM 0 H ASN A 67 6.351 7.015 3.537 1.00 0.00 H new ATOM 0 HA ASN A 67 6.441 4.142 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.153 5.946 2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.532 4.271 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.865 5.570 0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.516 4.613 -0.457 1.00 0.00 H new ATOM 1071 N SER A 68 7.605 6.350 5.911 1.00 0.00 N ATOM 1072 CA SER A 68 8.399 6.804 7.031 1.00 0.00 C ATOM 1073 C SER A 68 8.669 5.661 8.016 1.00 0.00 C ATOM 1074 O SER A 68 9.748 5.574 8.601 1.00 0.00 O ATOM 1075 CB SER A 68 7.639 7.929 7.712 1.00 0.00 C ATOM 1076 OG SER A 68 7.157 8.845 6.727 1.00 0.00 O ATOM 0 H SER A 68 6.739 6.877 5.801 1.00 0.00 H new ATOM 0 HA SER A 68 9.368 7.158 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.805 7.524 8.285 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.289 8.446 8.417 1.00 0.00 H new ATOM 0 HG SER A 68 6.665 9.570 7.167 1.00 0.00 H new ATOM 1082 N GLY A 69 7.702 4.767 8.153 1.00 0.00 N ATOM 1083 CA GLY A 69 7.865 3.637 9.028 1.00 0.00 C ATOM 1084 C GLY A 69 8.725 2.552 8.411 1.00 0.00 C ATOM 1085 O GLY A 69 9.160 1.632 9.098 1.00 0.00 O ATOM 0 H GLY A 69 6.805 4.809 7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.316 3.967 9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.886 3.226 9.273 1.00 0.00 H new ATOM 1089 N LEU A 70 8.967 2.661 7.116 1.00 0.00 N ATOM 1090 CA LEU A 70 9.781 1.707 6.394 1.00 0.00 C ATOM 1091 C LEU A 70 11.181 2.276 6.212 1.00 0.00 C ATOM 1092 O LEU A 70 12.109 1.565 5.852 1.00 0.00 O ATOM 1093 CB LEU A 70 9.184 1.458 5.012 1.00 0.00 C ATOM 1094 CG LEU A 70 7.693 1.145 4.944 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.284 0.950 3.506 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.344 -0.072 5.782 1.00 0.00 C ATOM 0 H LEU A 70 8.602 3.417 6.537 1.00 0.00 H new ATOM 0 HA LEU A 70 9.817 0.775 6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.373 2.339 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.725 0.629 4.555 1.00 0.00 H new ATOM 0 HG LEU A 70 7.140 1.988 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.218 0.726 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.489 1.860 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.848 0.122 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.274 -0.268 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.896 -0.937 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.611 0.114 6.822 1.00 0.00 H new ATOM 1108 N LEU A 71 11.311 3.564 6.439 1.00 0.00 N ATOM 1109 CA LEU A 71 12.566 4.256 6.277 1.00 0.00 C ATOM 1110 C LEU A 71 13.459 4.046 7.486 1.00 0.00 C ATOM 1111 O LEU A 71 12.987 4.027 8.622 1.00 0.00 O ATOM 1112 CB LEU A 71 12.340 5.769 6.048 1.00 0.00 C ATOM 1113 CG LEU A 71 11.558 6.183 4.780 1.00 0.00 C ATOM 1114 CD1 LEU A 71 11.362 7.687 4.726 1.00 0.00 C ATOM 1115 CD2 LEU A 71 12.259 5.699 3.519 1.00 0.00 C ATOM 0 H LEU A 71 10.543 4.163 6.743 1.00 0.00 H new ATOM 0 HA LEU A 71 13.060 3.840 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.813 6.167 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.315 6.255 6.017 1.00 0.00 H new ATOM 0 HG LEU A 71 10.578 5.709 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.809 7.950 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.802 8.013 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.334 8.180 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.686 6.005 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.258 6.133 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.336 4.612 3.540 1.00 0.00 H new ATOM 1127 N LYS A 72 14.728 3.846 7.234 1.00 0.00 N ATOM 1128 CA LYS A 72 15.711 3.732 8.288 1.00 0.00 C ATOM 1129 C LYS A 72 16.088 5.097 8.772 1.00 0.00 C ATOM 1130 O LYS A 72 15.642 6.112 8.230 1.00 0.00 O ATOM 1131 CB LYS A 72 16.989 3.059 7.819 1.00 0.00 C ATOM 1132 CG LYS A 72 16.874 1.613 7.456 1.00 0.00 C ATOM 1133 CD LYS A 72 18.220 1.068 7.025 1.00 0.00 C ATOM 1134 CE LYS A 72 19.204 0.973 8.181 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.523 0.483 7.752 1.00 0.00 N ATOM 0 H LYS A 72 15.111 3.757 6.293 1.00 0.00 H new ATOM 0 HA LYS A 72 15.256 3.129 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.365 3.602 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.737 3.157 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.501 1.046 8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.150 1.490 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.085 0.080 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.637 1.709 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.316 1.954 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.802 0.307 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.128 0.338 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.411 -0.418 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.965 1.182 7.121 1.00 0.00 H new ATOM 1149 N ASP A 73 16.960 5.128 9.720 1.00 0.00 N ATOM 1150 CA ASP A 73 17.403 6.377 10.279 1.00 0.00 C ATOM 1151 C ASP A 73 18.680 6.755 9.617 1.00 0.00 C ATOM 1152 O ASP A 73 19.763 6.335 10.034 1.00 0.00 O ATOM 1153 CB ASP A 73 17.591 6.302 11.797 1.00 0.00 C ATOM 1154 CG ASP A 73 16.330 5.931 12.527 1.00 0.00 C ATOM 1155 OD1 ASP A 73 15.518 6.823 12.843 1.00 0.00 O ATOM 1156 OD2 ASP A 73 16.130 4.727 12.810 1.00 0.00 O ATOM 0 H ASP A 73 17.389 4.300 10.133 1.00 0.00 H new ATOM 0 HA ASP A 73 16.637 7.131 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.366 5.570 12.026 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.945 7.266 12.162 1.00 0.00 H new ATOM 1161 N GLY A 74 18.563 7.452 8.534 1.00 0.00 N ATOM 1162 CA GLY A 74 19.716 7.848 7.794 1.00 0.00 C ATOM 1163 C GLY A 74 19.345 8.753 6.671 1.00 0.00 C ATOM 1164 O GLY A 74 19.859 9.864 6.575 1.00 0.00 O ATOM 0 H GLY A 74 17.674 7.761 8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.421 8.353 8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.222 6.965 7.403 1.00 0.00 H new ATOM 1168 N ASP A 75 18.462 8.290 5.822 1.00 0.00 N ATOM 1169 CA ASP A 75 17.977 9.095 4.721 1.00 0.00 C ATOM 1170 C ASP A 75 16.501 8.796 4.566 1.00 0.00 C ATOM 1171 O ASP A 75 15.917 8.128 5.419 1.00 0.00 O ATOM 1172 CB ASP A 75 18.733 8.756 3.409 1.00 0.00 C ATOM 1173 CG ASP A 75 18.693 9.895 2.427 1.00 0.00 C ATOM 1174 OD1 ASP A 75 19.561 10.773 2.486 1.00 0.00 O ATOM 1175 OD2 ASP A 75 17.795 9.926 1.585 1.00 0.00 O ATOM 0 H ASP A 75 18.060 7.354 5.870 1.00 0.00 H new ATOM 0 HA ASP A 75 18.143 10.153 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.770 8.513 3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.291 7.869 2.954 1.00 0.00 H new ATOM 1180 N ALA A 76 15.900 9.248 3.512 1.00 0.00 N ATOM 1181 CA ALA A 76 14.511 8.966 3.273 1.00 0.00 C ATOM 1182 C ALA A 76 14.390 8.025 2.110 1.00 0.00 C ATOM 1183 O ALA A 76 13.322 7.829 1.545 1.00 0.00 O ATOM 1184 CB ALA A 76 13.772 10.223 2.989 1.00 0.00 C ATOM 0 H ALA A 76 16.349 9.818 2.795 1.00 0.00 H new ATOM 0 HA ALA A 76 14.080 8.505 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.721 9.995 2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.857 10.896 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.195 10.702 2.106 1.00 0.00 H new ATOM 1190 N GLN A 77 15.508 7.483 1.731 1.00 0.00 N ATOM 1191 CA GLN A 77 15.581 6.540 0.629 1.00 0.00 C ATOM 1192 C GLN A 77 16.089 5.247 1.173 1.00 0.00 C ATOM 1193 O GLN A 77 16.197 4.239 0.472 1.00 0.00 O ATOM 1194 CB GLN A 77 16.551 7.083 -0.399 1.00 0.00 C ATOM 1195 CG GLN A 77 16.304 8.544 -0.650 1.00 0.00 C ATOM 1196 CD GLN A 77 14.940 8.822 -1.242 1.00 0.00 C ATOM 1197 OE1 GLN A 77 14.406 8.037 -2.030 1.00 0.00 O ATOM 1198 NE2 GLN A 77 14.318 9.874 -0.782 1.00 0.00 N ATOM 0 H GLN A 77 16.407 7.676 2.173 1.00 0.00 H new ATOM 0 HA GLN A 77 14.606 6.392 0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.574 6.937 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 77 16.448 6.527 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.404 9.090 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.071 8.925 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.790 10.502 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.360 10.068 -1.073 1.00 0.00 H new ATOM 1207 N SER A 78 16.385 5.289 2.437 1.00 0.00 N ATOM 1208 CA SER A 78 16.932 4.169 3.125 1.00 0.00 C ATOM 1209 C SER A 78 15.812 3.333 3.714 1.00 0.00 C ATOM 1210 O SER A 78 15.070 3.809 4.558 1.00 0.00 O ATOM 1211 CB SER A 78 17.894 4.676 4.190 1.00 0.00 C ATOM 1212 OG SER A 78 17.282 5.675 5.005 1.00 0.00 O ATOM 0 H SER A 78 16.250 6.113 3.022 1.00 0.00 H new ATOM 0 HA SER A 78 17.487 3.526 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.221 3.844 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.784 5.087 3.714 1.00 0.00 H new ATOM 0 HG SER A 78 16.319 5.502 5.067 1.00 0.00 H new ATOM 1218 N LEU A 79 15.695 2.120 3.262 1.00 0.00 N ATOM 1219 CA LEU A 79 14.685 1.239 3.631 1.00 0.00 C ATOM 1220 C LEU A 79 15.188 0.290 4.710 1.00 0.00 C ATOM 1221 O LEU A 79 16.343 -0.157 4.659 1.00 0.00 O ATOM 1222 CB LEU A 79 14.325 0.484 2.382 1.00 0.00 C ATOM 1223 CG LEU A 79 13.551 -0.757 2.579 1.00 0.00 C ATOM 1224 CD1 LEU A 79 12.165 -0.461 3.136 1.00 0.00 C ATOM 1225 CD2 LEU A 79 13.493 -1.548 1.314 1.00 0.00 C ATOM 0 H LEU A 79 16.350 1.719 2.590 1.00 0.00 H new ATOM 0 HA LEU A 79 13.820 1.760 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.753 1.147 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.245 0.235 1.853 1.00 0.00 H new ATOM 0 HG LEU A 79 14.064 -1.368 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.620 -1.395 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.259 0.045 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.622 0.179 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.918 -2.459 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 79 13.015 -0.954 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.504 -1.809 1.002 1.00 0.00 H new ATOM 1237 N LYS A 80 14.347 0.032 5.688 1.00 0.00 N ATOM 1238 CA LYS A 80 14.646 -0.890 6.770 1.00 0.00 C ATOM 1239 C LYS A 80 14.888 -2.305 6.242 1.00 0.00 C ATOM 1240 O LYS A 80 14.165 -2.803 5.381 1.00 0.00 O ATOM 1241 CB LYS A 80 13.554 -0.870 7.824 1.00 0.00 C ATOM 1242 CG LYS A 80 13.430 0.427 8.602 1.00 0.00 C ATOM 1243 CD LYS A 80 12.267 0.356 9.578 1.00 0.00 C ATOM 1244 CE LYS A 80 12.093 1.649 10.358 1.00 0.00 C ATOM 1245 NZ LYS A 80 13.206 1.913 11.293 1.00 0.00 N ATOM 0 H LYS A 80 13.424 0.460 5.758 1.00 0.00 H new ATOM 0 HA LYS A 80 15.568 -0.557 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.600 -1.077 7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.736 -1.682 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.355 0.622 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.283 1.258 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.349 0.137 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.428 -0.467 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.009 2.480 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.158 1.607 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.000 2.770 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.317 1.105 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.086 2.050 10.756 1.00 0.00 H new ATOM 1259 N GLU A 81 15.870 -2.938 6.813 1.00 0.00 N ATOM 1260 CA GLU A 81 16.416 -4.187 6.317 1.00 0.00 C ATOM 1261 C GLU A 81 15.722 -5.435 6.877 1.00 0.00 C ATOM 1262 O GLU A 81 15.832 -6.516 6.303 1.00 0.00 O ATOM 1263 CB GLU A 81 17.893 -4.225 6.674 1.00 0.00 C ATOM 1264 CG GLU A 81 18.688 -3.061 6.105 1.00 0.00 C ATOM 1265 CD GLU A 81 20.118 -3.076 6.552 1.00 0.00 C ATOM 1266 OE1 GLU A 81 20.854 -4.020 6.191 1.00 0.00 O ATOM 1267 OE2 GLU A 81 20.542 -2.147 7.269 1.00 0.00 O ATOM 0 H GLU A 81 16.331 -2.600 7.658 1.00 0.00 H new ATOM 0 HA GLU A 81 16.253 -4.213 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.996 -4.228 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.322 -5.159 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.650 -3.096 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.224 -2.123 6.411 1.00 0.00 H new ATOM 1274 N HIS A 82 15.025 -5.294 7.988 1.00 0.00 N ATOM 1275 CA HIS A 82 14.402 -6.467 8.649 1.00 0.00 C ATOM 1276 C HIS A 82 13.023 -6.786 8.084 1.00 0.00 C ATOM 1277 O HIS A 82 12.442 -7.837 8.379 1.00 0.00 O ATOM 1278 CB HIS A 82 14.249 -6.244 10.164 1.00 0.00 C ATOM 1279 CG HIS A 82 15.518 -5.983 10.906 1.00 0.00 C ATOM 1280 ND1 HIS A 82 15.592 -5.130 11.980 1.00 0.00 N ATOM 1281 CD2 HIS A 82 16.757 -6.485 10.746 1.00 0.00 C ATOM 1282 CE1 HIS A 82 16.818 -5.120 12.443 1.00 0.00 C ATOM 1283 NE2 HIS A 82 17.543 -5.931 11.712 1.00 0.00 N ATOM 0 H HIS A 82 14.867 -4.403 8.459 1.00 0.00 H new ATOM 0 HA HIS A 82 15.074 -7.303 8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 82 13.575 -5.402 10.324 1.00 0.00 H new ATOM 0 HB3 HIS A 82 13.770 -7.122 10.596 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.069 -7.194 9.993 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.171 -4.542 13.284 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.537 -6.118 11.845 1.00 0.00 H new ATOM 1292 N LEU A 83 12.509 -5.893 7.299 1.00 0.00 N ATOM 1293 CA LEU A 83 11.156 -5.970 6.817 1.00 0.00 C ATOM 1294 C LEU A 83 10.933 -6.962 5.703 1.00 0.00 C ATOM 1295 O LEU A 83 11.746 -7.110 4.784 1.00 0.00 O ATOM 1296 CB LEU A 83 10.632 -4.591 6.431 1.00 0.00 C ATOM 1297 CG LEU A 83 10.269 -3.647 7.587 1.00 0.00 C ATOM 1298 CD1 LEU A 83 11.441 -3.344 8.454 1.00 0.00 C ATOM 1299 CD2 LEU A 83 9.646 -2.378 7.079 1.00 0.00 C ATOM 0 H LEU A 83 13.021 -5.076 6.967 1.00 0.00 H new ATOM 0 HA LEU A 83 10.580 -6.355 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.385 -4.101 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.747 -4.724 5.809 1.00 0.00 H new ATOM 0 HG LEU A 83 9.535 -4.170 8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.136 -2.673 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.827 -4.270 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.220 -2.867 7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.400 -1.731 7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.348 -1.866 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.737 -2.615 6.526 1.00 0.00 H new ATOM 1311 N ILE A 84 9.824 -7.636 5.822 1.00 0.00 N ATOM 1312 CA ILE A 84 9.333 -8.587 4.865 1.00 0.00 C ATOM 1313 C ILE A 84 8.237 -7.862 4.051 1.00 0.00 C ATOM 1314 O ILE A 84 7.963 -6.714 4.358 1.00 0.00 O ATOM 1315 CB ILE A 84 8.772 -9.805 5.658 1.00 0.00 C ATOM 1316 CG1 ILE A 84 9.891 -10.416 6.505 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.140 -10.867 4.764 1.00 0.00 C ATOM 1318 CD1 ILE A 84 9.459 -11.613 7.289 1.00 0.00 C ATOM 0 H ILE A 84 9.208 -7.532 6.628 1.00 0.00 H new ATOM 0 HA ILE A 84 10.098 -8.955 4.182 1.00 0.00 H new ATOM 0 HB ILE A 84 7.972 -9.434 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.717 -10.698 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.271 -9.659 7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.770 -11.687 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.312 -10.428 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.886 -11.246 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.302 -11.994 7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.653 -11.332 7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.107 -12.387 6.607 1.00 0.00 H new ATOM 1330 N ASP A 85 7.625 -8.524 3.040 1.00 0.00 N ATOM 1331 CA ASP A 85 6.583 -7.917 2.131 1.00 0.00 C ATOM 1332 C ASP A 85 5.308 -7.553 2.944 1.00 0.00 C ATOM 1333 O ASP A 85 5.442 -6.968 3.977 1.00 0.00 O ATOM 1334 CB ASP A 85 6.284 -8.899 0.972 1.00 0.00 C ATOM 1335 CG ASP A 85 5.496 -8.320 -0.214 1.00 0.00 C ATOM 1336 OD1 ASP A 85 4.245 -8.217 -0.148 1.00 0.00 O ATOM 1337 OD2 ASP A 85 6.111 -8.031 -1.245 1.00 0.00 O ATOM 0 H ASP A 85 7.830 -9.498 2.819 1.00 0.00 H new ATOM 0 HA ASP A 85 6.956 -6.990 1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.231 -9.288 0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.728 -9.746 1.374 1.00 0.00 H new ATOM 1342 N GLU A 86 4.092 -7.945 2.495 1.00 0.00 N ATOM 1343 CA GLU A 86 2.774 -7.683 3.114 1.00 0.00 C ATOM 1344 C GLU A 86 2.757 -7.756 4.668 1.00 0.00 C ATOM 1345 O GLU A 86 1.951 -7.109 5.316 1.00 0.00 O ATOM 1346 CB GLU A 86 1.821 -8.693 2.451 1.00 0.00 C ATOM 1347 CG GLU A 86 0.556 -9.061 3.175 1.00 0.00 C ATOM 1348 CD GLU A 86 -0.417 -7.926 3.411 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -0.870 -7.292 2.445 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -0.765 -7.661 4.583 1.00 0.00 O ATOM 0 H GLU A 86 4.001 -8.487 1.636 1.00 0.00 H new ATOM 0 HA GLU A 86 2.469 -6.651 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.542 -8.295 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.381 -9.611 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.047 -9.840 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.823 -9.493 4.139 1.00 0.00 H new ATOM 1357 N LEU A 87 3.671 -8.466 5.223 1.00 0.00 N ATOM 1358 CA LEU A 87 3.824 -8.584 6.650 1.00 0.00 C ATOM 1359 C LEU A 87 4.238 -7.248 7.264 1.00 0.00 C ATOM 1360 O LEU A 87 3.644 -6.789 8.237 1.00 0.00 O ATOM 1361 CB LEU A 87 4.891 -9.617 6.920 1.00 0.00 C ATOM 1362 CG LEU A 87 4.657 -10.960 6.265 1.00 0.00 C ATOM 1363 CD1 LEU A 87 5.592 -11.982 6.833 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.209 -11.396 6.395 1.00 0.00 C ATOM 0 H LEU A 87 4.359 -9.001 4.693 1.00 0.00 H new ATOM 0 HA LEU A 87 2.875 -8.880 7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.850 -9.225 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.970 -9.763 7.997 1.00 0.00 H new ATOM 0 HG LEU A 87 4.864 -10.863 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.414 -12.945 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.622 -11.673 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.422 -12.074 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.076 -12.365 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.946 -11.476 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.563 -10.661 5.915 1.00 0.00 H new ATOM 1376 N ASP A 88 5.223 -6.623 6.662 1.00 0.00 N ATOM 1377 CA ASP A 88 5.794 -5.374 7.185 1.00 0.00 C ATOM 1378 C ASP A 88 5.532 -4.198 6.278 1.00 0.00 C ATOM 1379 O ASP A 88 5.328 -3.072 6.735 1.00 0.00 O ATOM 1380 CB ASP A 88 7.293 -5.500 7.399 1.00 0.00 C ATOM 1381 CG ASP A 88 7.665 -6.413 8.511 1.00 0.00 C ATOM 1382 OD1 ASP A 88 7.506 -6.025 9.680 1.00 0.00 O ATOM 1383 OD2 ASP A 88 8.164 -7.524 8.239 1.00 0.00 O ATOM 0 H ASP A 88 5.659 -6.952 5.800 1.00 0.00 H new ATOM 0 HA ASP A 88 5.298 -5.195 8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.753 -5.858 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.707 -4.512 7.599 1.00 0.00 H new ATOM 1388 N TYR A 89 5.521 -4.458 5.018 1.00 0.00 N ATOM 1389 CA TYR A 89 5.295 -3.438 3.996 1.00 0.00 C ATOM 1390 C TYR A 89 4.484 -4.077 2.946 1.00 0.00 C ATOM 1391 O TYR A 89 3.844 -5.033 3.237 1.00 0.00 O ATOM 1392 CB TYR A 89 6.627 -2.832 3.443 1.00 0.00 C ATOM 1393 CG TYR A 89 7.666 -3.786 2.874 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.410 -4.545 1.741 1.00 0.00 C ATOM 1395 CD2 TYR A 89 8.926 -3.883 3.454 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.360 -5.379 1.195 1.00 0.00 C ATOM 1397 CE2 TYR A 89 9.897 -4.722 2.921 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.608 -5.471 1.786 1.00 0.00 C ATOM 1399 OH TYR A 89 10.575 -6.297 1.233 1.00 0.00 O ATOM 0 H TYR A 89 5.669 -5.393 4.639 1.00 0.00 H new ATOM 0 HA TYR A 89 4.771 -2.581 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.369 -2.116 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.097 -2.269 4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.438 -4.480 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.153 -3.297 4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.133 -5.957 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.870 -4.792 3.385 1.00 0.00 H new ATOM 0 HH TYR A 89 11.394 -6.246 1.768 1.00 0.00 H new ATOM 1409 N ILE A 90 4.393 -3.524 1.787 1.00 0.00 N ATOM 1410 CA ILE A 90 3.765 -4.195 0.712 1.00 0.00 C ATOM 1411 C ILE A 90 4.443 -3.780 -0.534 1.00 0.00 C ATOM 1412 O ILE A 90 4.937 -2.668 -0.624 1.00 0.00 O ATOM 1413 CB ILE A 90 2.273 -3.854 0.556 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.530 -3.901 1.869 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.629 -4.802 -0.411 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.087 -3.909 1.695 1.00 0.00 C ATOM 0 H ILE A 90 4.752 -2.596 1.562 1.00 0.00 H new ATOM 0 HA ILE A 90 3.838 -5.264 0.914 1.00 0.00 H new ATOM 0 HB ILE A 90 2.217 -2.833 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.831 -4.792 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.814 -3.040 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.573 -4.553 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.119 -4.720 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.727 -5.822 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.397 -3.943 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.221 -3.005 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.205 -4.784 1.114 1.00 0.00 H new ATOM 1428 N LEU A 91 4.483 -4.666 -1.452 1.00 0.00 N ATOM 1429 CA LEU A 91 4.998 -4.421 -2.727 1.00 0.00 C ATOM 1430 C LEU A 91 3.915 -4.400 -3.761 1.00 0.00 C ATOM 1431 O LEU A 91 3.074 -5.309 -3.819 1.00 0.00 O ATOM 1432 CB LEU A 91 6.106 -5.371 -3.019 1.00 0.00 C ATOM 1433 CG LEU A 91 7.368 -4.890 -2.373 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.400 -5.898 -2.343 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.877 -3.743 -3.123 1.00 0.00 C ATOM 0 H LEU A 91 4.142 -5.619 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 91 5.432 -3.422 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.853 -6.365 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.248 -5.459 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 91 7.122 -4.628 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.291 -5.492 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.047 -6.763 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.642 -6.201 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.797 -3.385 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.081 -4.042 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.134 -2.946 -3.117 1.00 0.00 H new ATOM 1447 N LEU A 92 3.884 -3.324 -4.500 1.00 0.00 N ATOM 1448 CA LEU A 92 2.896 -3.067 -5.532 1.00 0.00 C ATOM 1449 C LEU A 92 3.598 -2.936 -6.845 1.00 0.00 C ATOM 1450 O LEU A 92 4.739 -2.498 -6.884 1.00 0.00 O ATOM 1451 CB LEU A 92 2.207 -1.679 -5.329 1.00 0.00 C ATOM 1452 CG LEU A 92 1.289 -1.413 -4.130 1.00 0.00 C ATOM 1453 CD1 LEU A 92 -0.010 -2.166 -4.209 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.992 -1.684 -2.856 1.00 0.00 C ATOM 0 H LEU A 92 4.566 -2.572 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 92 2.173 -3.881 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.001 -0.933 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.622 -1.480 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 92 1.030 -0.355 -4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.617 -1.937 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.547 -1.871 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.191 -3.237 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.320 -1.488 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.309 -2.727 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.866 -1.037 -2.778 1.00 0.00 H new ATOM 1466 N PRO A 93 2.949 -3.306 -7.937 1.00 0.00 N ATOM 1467 CA PRO A 93 3.393 -2.926 -9.259 1.00 0.00 C ATOM 1468 C PRO A 93 3.360 -1.408 -9.362 1.00 0.00 C ATOM 1469 O PRO A 93 2.769 -0.728 -8.485 1.00 0.00 O ATOM 1470 CB PRO A 93 2.295 -3.445 -10.172 1.00 0.00 C ATOM 1471 CG PRO A 93 1.664 -4.534 -9.450 1.00 0.00 C ATOM 1472 CD PRO A 93 1.769 -4.167 -7.984 1.00 0.00 C ATOM 0 HA PRO A 93 4.390 -3.299 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.575 -2.660 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.706 -3.791 -11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.623 -4.652 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.164 -5.481 -9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.877 -3.647 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.890 -5.050 -7.356 1.00 0.00 H new ATOM 1480 N THR A 94 3.945 -0.888 -10.407 1.00 0.00 N ATOM 1481 CA THR A 94 3.899 0.528 -10.704 1.00 0.00 C ATOM 1482 C THR A 94 2.448 1.081 -10.571 1.00 0.00 C ATOM 1483 O THR A 94 2.226 2.120 -9.957 1.00 0.00 O ATOM 1484 CB THR A 94 4.448 0.760 -12.129 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.872 0.525 -12.164 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.111 2.138 -12.651 1.00 0.00 C ATOM 0 H THR A 94 4.473 -1.436 -11.086 1.00 0.00 H new ATOM 0 HA THR A 94 4.517 1.066 -9.985 1.00 0.00 H new ATOM 0 HB THR A 94 3.960 0.044 -12.790 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.206 0.674 -13.073 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.517 2.256 -13.656 1.00 0.00 H new ATOM 0 HG22 THR A 94 3.028 2.261 -12.680 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.544 2.892 -11.994 1.00 0.00 H new ATOM 1494 N GLU A 95 1.493 0.297 -11.051 1.00 0.00 N ATOM 1495 CA GLU A 95 0.081 0.630 -11.057 1.00 0.00 C ATOM 1496 C GLU A 95 -0.437 0.806 -9.660 1.00 0.00 C ATOM 1497 O GLU A 95 -1.050 1.809 -9.357 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.715 -0.504 -11.688 1.00 0.00 C ATOM 1499 CG GLU A 95 -0.478 -0.820 -13.149 1.00 0.00 C ATOM 1500 CD GLU A 95 0.957 -1.038 -13.540 1.00 0.00 C ATOM 1501 OE1 GLU A 95 1.603 -1.935 -12.972 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.471 -0.286 -14.386 1.00 0.00 O ATOM 0 H GLU A 95 1.689 -0.617 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.033 1.556 -11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.515 -1.410 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.774 -0.276 -11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.046 -1.714 -13.406 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.880 -0.004 -13.749 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.195 -0.197 -8.825 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.697 -0.192 -7.487 1.00 0.00 C ATOM 1511 C GLY A 96 -0.266 1.028 -6.735 1.00 0.00 C ATOM 1512 O GLY A 96 -1.091 1.759 -6.215 1.00 0.00 O ATOM 0 H GLY A 96 0.352 -1.023 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.786 -0.240 -7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.348 -1.083 -6.965 1.00 0.00 H new ATOM 1516 N TRP A 97 1.025 1.249 -6.712 1.00 0.00 N ATOM 1517 CA TRP A 97 1.604 2.404 -6.112 1.00 0.00 C ATOM 1518 C TRP A 97 1.012 3.701 -6.705 1.00 0.00 C ATOM 1519 O TRP A 97 0.578 4.576 -5.962 1.00 0.00 O ATOM 1520 CB TRP A 97 3.090 2.342 -6.346 1.00 0.00 C ATOM 1521 CG TRP A 97 3.812 3.533 -5.891 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.313 4.504 -6.676 1.00 0.00 C ATOM 1523 CD2 TRP A 97 4.102 3.889 -4.551 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.908 5.456 -5.911 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.795 5.098 -4.589 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.841 3.295 -3.325 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.236 5.735 -3.431 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.270 3.917 -2.185 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.962 5.123 -2.239 1.00 0.00 C ATOM 0 H TRP A 97 1.709 0.612 -7.121 1.00 0.00 H new ATOM 0 HA TRP A 97 1.385 2.417 -5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.492 1.468 -5.835 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.275 2.202 -7.411 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.251 4.524 -7.754 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.364 6.299 -6.261 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.308 2.357 -3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.771 6.672 -3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 4.068 3.464 -1.226 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.290 5.586 -1.320 1.00 0.00 H new ATOM 1540 N ASN A 98 1.005 3.806 -8.042 1.00 0.00 N ATOM 1541 CA ASN A 98 0.416 4.956 -8.752 1.00 0.00 C ATOM 1542 C ASN A 98 -0.980 5.229 -8.325 1.00 0.00 C ATOM 1543 O ASN A 98 -1.363 6.370 -8.255 1.00 0.00 O ATOM 1544 CB ASN A 98 0.440 4.829 -10.284 1.00 0.00 C ATOM 1545 CG ASN A 98 1.791 5.085 -10.896 1.00 0.00 C ATOM 1546 OD1 ASN A 98 2.614 5.822 -10.344 1.00 0.00 O ATOM 1547 ND2 ASN A 98 2.025 4.531 -12.054 1.00 0.00 N ATOM 0 H ASN A 98 1.405 3.101 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 98 1.060 5.790 -8.473 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.110 3.828 -10.561 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.279 5.530 -10.708 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.910 4.702 -12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.323 3.927 -12.482 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.733 4.185 -8.016 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.077 4.319 -7.574 1.00 0.00 C ATOM 1556 C LYS A 99 -3.121 4.967 -6.258 1.00 0.00 C ATOM 1557 O LYS A 99 -3.742 5.976 -6.080 1.00 0.00 O ATOM 1558 CB LYS A 99 -3.674 2.946 -7.526 1.00 0.00 C ATOM 1559 CG LYS A 99 -4.061 2.520 -8.894 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.503 1.112 -8.988 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.533 0.714 -10.444 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.438 1.572 -11.236 1.00 0.00 N ATOM 0 H LYS A 99 -1.408 3.220 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.648 4.948 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.957 2.242 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.547 2.941 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.864 3.166 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.213 2.668 -9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.825 0.464 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.491 0.995 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.526 0.773 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.852 -0.325 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.601 1.139 -12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.345 1.673 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.006 2.510 -11.361 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.384 4.436 -5.383 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.356 4.864 -4.022 1.00 0.00 C ATOM 1578 C LEU A 100 -1.806 6.257 -3.882 1.00 0.00 C ATOM 1579 O LEU A 100 -2.305 7.062 -3.095 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.603 3.808 -3.299 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.279 2.483 -3.523 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -1.549 1.341 -2.985 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -3.696 2.528 -3.043 1.00 0.00 C ATOM 0 H LEU A 100 -1.752 3.660 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.350 4.963 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.573 3.770 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.565 4.036 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.283 2.319 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.104 0.425 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.567 1.282 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.429 1.460 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.169 1.561 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.712 2.757 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.241 3.299 -3.588 1.00 0.00 H new ATOM 1595 N VAL A 101 -0.858 6.561 -4.694 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.311 7.847 -4.761 1.00 0.00 C ATOM 1597 C VAL A 101 -1.253 8.807 -5.551 1.00 0.00 C ATOM 1598 O VAL A 101 -1.279 10.007 -5.317 1.00 0.00 O ATOM 1599 CB VAL A 101 1.111 7.767 -5.336 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.574 9.094 -5.817 1.00 0.00 C ATOM 1601 CG2 VAL A 101 2.054 7.255 -4.261 1.00 0.00 C ATOM 0 H VAL A 101 -0.437 5.896 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.228 8.274 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 101 1.103 7.085 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.584 9.004 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.904 9.452 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.575 9.802 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.066 7.196 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.041 7.937 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.733 6.265 -3.937 1.00 0.00 H new ATOM 1611 N SER A 102 -2.060 8.269 -6.425 1.00 0.00 N ATOM 1612 CA SER A 102 -3.011 9.088 -7.141 1.00 0.00 C ATOM 1613 C SER A 102 -4.139 9.456 -6.188 1.00 0.00 C ATOM 1614 O SER A 102 -4.655 10.576 -6.187 1.00 0.00 O ATOM 1615 CB SER A 102 -3.602 8.351 -8.366 1.00 0.00 C ATOM 1616 OG SER A 102 -4.511 9.178 -9.100 1.00 0.00 O ATOM 0 H SER A 102 -2.082 7.277 -6.660 1.00 0.00 H new ATOM 0 HA SER A 102 -2.496 9.976 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.793 8.030 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.118 7.451 -8.033 1.00 0.00 H new ATOM 0 HG SER A 102 -5.352 9.260 -8.604 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.502 8.505 -5.360 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.595 8.659 -4.463 1.00 0.00 C ATOM 1624 C TRP A 103 -5.203 9.505 -3.256 1.00 0.00 C ATOM 1625 O TRP A 103 -5.820 10.539 -3.012 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.172 7.280 -4.053 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.559 6.403 -5.243 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -6.828 6.815 -6.516 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.676 4.974 -5.270 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.142 5.748 -7.313 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.042 4.607 -6.585 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.513 3.975 -4.324 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.242 3.285 -6.966 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.708 2.667 -4.708 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.067 2.335 -6.019 1.00 0.00 C ATOM 0 H TRP A 103 -4.036 7.600 -5.299 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.389 9.198 -4.980 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.435 6.752 -3.447 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.049 7.434 -3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -6.797 7.842 -6.849 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.408 5.802 -8.296 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.239 4.217 -3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.525 3.027 -7.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.581 1.879 -3.980 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.208 1.297 -6.281 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.140 9.118 -2.555 1.00 0.00 N ATOM 1647 CA TYR A 104 -3.757 9.813 -1.334 1.00 0.00 C ATOM 1648 C TYR A 104 -2.310 10.255 -1.298 1.00 0.00 C ATOM 1649 O TYR A 104 -1.833 10.691 -0.261 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.127 8.995 -0.102 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.576 9.172 0.280 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.005 10.364 0.851 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.520 8.186 0.040 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.324 10.567 1.182 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -7.849 8.385 0.364 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.244 9.580 0.937 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.573 9.795 1.245 1.00 0.00 O ATOM 0 H TYR A 104 -3.536 8.336 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.334 10.738 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.929 7.941 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.493 9.291 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.287 11.148 1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.214 7.251 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.634 11.498 1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.576 7.610 0.170 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.096 9.000 1.010 1.00 0.00 H new ATOM 1667 N THR A 105 -1.661 10.207 -2.452 1.00 0.00 N ATOM 1668 CA THR A 105 -0.273 10.603 -2.680 1.00 0.00 C ATOM 1669 C THR A 105 0.741 10.064 -1.666 1.00 0.00 C ATOM 1670 O THR A 105 0.471 9.190 -0.850 1.00 0.00 O ATOM 1671 CB THR A 105 -0.100 12.151 -2.948 1.00 0.00 C ATOM 1672 OG1 THR A 105 1.218 12.473 -3.456 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.395 12.979 -1.727 1.00 0.00 C ATOM 0 H THR A 105 -2.111 9.872 -3.304 1.00 0.00 H new ATOM 0 HA THR A 105 -0.017 10.092 -3.608 1.00 0.00 H new ATOM 0 HB THR A 105 -0.834 12.402 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.693 13.029 -2.804 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.262 14.035 -1.963 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.423 12.805 -1.409 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.286 12.698 -0.924 1.00 0.00 H new ATOM 1681 N LEU A 106 1.883 10.584 -1.779 1.00 0.00 N ATOM 1682 CA LEU A 106 3.033 10.211 -1.026 1.00 0.00 C ATOM 1683 C LEU A 106 3.456 11.383 -0.155 1.00 0.00 C ATOM 1684 O LEU A 106 3.361 12.541 -0.588 1.00 0.00 O ATOM 1685 CB LEU A 106 4.141 9.864 -2.018 1.00 0.00 C ATOM 1686 CG LEU A 106 5.523 9.608 -1.443 1.00 0.00 C ATOM 1687 CD1 LEU A 106 5.552 8.385 -0.549 1.00 0.00 C ATOM 1688 CD2 LEU A 106 6.564 9.524 -2.538 1.00 0.00 C ATOM 0 H LEU A 106 2.073 11.336 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 106 2.825 9.356 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.835 8.977 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.219 10.679 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 106 5.773 10.462 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.560 8.242 -0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.860 8.525 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.256 7.507 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.543 9.340 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.313 8.709 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.586 10.463 -3.092 1.00 0.00 H new ATOM 1700 N MET A 107 3.904 11.096 1.063 1.00 0.00 N ATOM 1701 CA MET A 107 4.362 12.140 1.965 1.00 0.00 C ATOM 1702 C MET A 107 5.569 12.889 1.459 1.00 0.00 C ATOM 1703 O MET A 107 6.347 12.401 0.627 1.00 0.00 O ATOM 1704 CB MET A 107 4.624 11.657 3.392 1.00 0.00 C ATOM 1705 CG MET A 107 3.376 11.445 4.210 1.00 0.00 C ATOM 1706 SD MET A 107 3.697 11.011 5.927 1.00 0.00 S ATOM 1707 CE MET A 107 4.636 12.423 6.443 1.00 0.00 C ATOM 0 H MET A 107 3.959 10.152 1.445 1.00 0.00 H new ATOM 0 HA MET A 107 3.519 12.830 1.994 1.00 0.00 H new ATOM 0 HB2 MET A 107 5.181 10.721 3.351 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.259 12.384 3.899 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.775 12.354 4.181 1.00 0.00 H new ATOM 0 HG3 MET A 107 2.782 10.655 3.751 1.00 0.00 H new ATOM 0 HE1 MET A 107 4.416 12.645 7.487 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.700 12.212 6.333 1.00 0.00 H new ATOM 0 HE3 MET A 107 4.371 13.282 5.826 1.00 0.00 H new ATOM 1717 N GLU A 108 5.699 14.076 1.959 1.00 0.00 N ATOM 1718 CA GLU A 108 6.769 14.946 1.653 1.00 0.00 C ATOM 1719 C GLU A 108 8.063 14.475 2.277 1.00 0.00 C ATOM 1720 O GLU A 108 8.081 13.843 3.351 1.00 0.00 O ATOM 1721 CB GLU A 108 6.423 16.330 2.150 1.00 0.00 C ATOM 1722 CG GLU A 108 6.203 16.384 3.651 1.00 0.00 C ATOM 1723 CD GLU A 108 5.953 17.762 4.169 1.00 0.00 C ATOM 1724 OE1 GLU A 108 6.930 18.487 4.439 1.00 0.00 O ATOM 1725 OE2 GLU A 108 4.789 18.133 4.377 1.00 0.00 O ATOM 0 H GLU A 108 5.030 14.474 2.618 1.00 0.00 H new ATOM 0 HA GLU A 108 6.916 14.959 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.225 17.018 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.522 16.677 1.644 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.356 15.749 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.077 15.969 4.153 1.00 0.00 H new ATOM 1732 N GLY A 109 9.131 14.748 1.593 1.00 0.00 N ATOM 1733 CA GLY A 109 10.419 14.441 2.100 1.00 0.00 C ATOM 1734 C GLY A 109 10.950 13.113 1.627 1.00 0.00 C ATOM 1735 O GLY A 109 12.162 12.909 1.572 1.00 0.00 O ATOM 0 H GLY A 109 9.128 15.188 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.114 15.227 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.382 14.441 3.189 1.00 0.00 H new ATOM 1739 N GLN A 110 10.057 12.224 1.266 1.00 0.00 N ATOM 1740 CA GLN A 110 10.415 10.912 0.855 1.00 0.00 C ATOM 1741 C GLN A 110 10.088 10.707 -0.613 1.00 0.00 C ATOM 1742 O GLN A 110 9.405 11.535 -1.230 1.00 0.00 O ATOM 1743 CB GLN A 110 9.695 9.901 1.734 1.00 0.00 C ATOM 1744 CG GLN A 110 8.194 10.091 1.776 1.00 0.00 C ATOM 1745 CD GLN A 110 7.515 9.204 2.789 1.00 0.00 C ATOM 1746 OE1 GLN A 110 7.116 8.107 2.488 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.380 9.682 3.997 1.00 0.00 N ATOM 0 H GLN A 110 9.053 12.405 1.253 1.00 0.00 H new ATOM 0 HA GLN A 110 11.490 10.771 0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 110 9.915 8.897 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 110 10.089 9.968 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.972 11.133 2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.780 9.888 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 110 7.729 10.614 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 110 6.926 9.123 4.719 1.00 0.00 H new ATOM 1756 N GLU A 111 10.562 9.616 -1.141 1.00 0.00 N ATOM 1757 CA GLU A 111 10.423 9.236 -2.519 1.00 0.00 C ATOM 1758 C GLU A 111 10.085 7.759 -2.524 1.00 0.00 C ATOM 1759 O GLU A 111 10.436 7.071 -1.566 1.00 0.00 O ATOM 1760 CB GLU A 111 11.747 9.461 -3.273 1.00 0.00 C ATOM 1761 CG GLU A 111 12.139 10.912 -3.481 1.00 0.00 C ATOM 1762 CD GLU A 111 11.195 11.646 -4.408 1.00 0.00 C ATOM 1763 OE1 GLU A 111 11.054 11.238 -5.583 1.00 0.00 O ATOM 1764 OE2 GLU A 111 10.609 12.661 -3.998 1.00 0.00 O ATOM 0 H GLU A 111 11.083 8.931 -0.594 1.00 0.00 H new ATOM 0 HA GLU A 111 9.652 9.829 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.546 8.961 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.677 8.978 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.162 11.419 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.149 10.956 -3.889 1.00 0.00 H new ATOM 1771 N PRO A 112 9.429 7.254 -3.581 1.00 0.00 N ATOM 1772 CA PRO A 112 9.009 5.851 -3.679 1.00 0.00 C ATOM 1773 C PRO A 112 10.120 4.910 -3.535 1.00 0.00 C ATOM 1774 O PRO A 112 11.135 4.970 -4.248 1.00 0.00 O ATOM 1775 CB PRO A 112 8.420 5.714 -5.063 1.00 0.00 C ATOM 1776 CG PRO A 112 8.117 7.103 -5.499 1.00 0.00 C ATOM 1777 CD PRO A 112 9.070 8.006 -4.776 1.00 0.00 C ATOM 0 HA PRO A 112 8.309 5.614 -2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.122 5.232 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.519 5.101 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.234 7.203 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.085 7.364 -5.265 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.946 8.231 -5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.604 8.958 -4.523 1.00 0.00 H new ATOM 1785 N ILE A 113 9.945 4.051 -2.610 1.00 0.00 N ATOM 1786 CA ILE A 113 10.860 3.032 -2.411 1.00 0.00 C ATOM 1787 C ILE A 113 10.506 1.941 -3.388 1.00 0.00 C ATOM 1788 O ILE A 113 9.438 1.335 -3.299 1.00 0.00 O ATOM 1789 CB ILE A 113 10.882 2.453 -0.969 1.00 0.00 C ATOM 1790 CG1 ILE A 113 11.317 3.474 0.104 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.837 1.330 -0.965 1.00 0.00 C ATOM 1792 CD1 ILE A 113 10.337 4.577 0.377 1.00 0.00 C ATOM 0 H ILE A 113 9.151 4.046 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 113 11.859 3.440 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 113 9.866 2.151 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.505 2.939 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.263 3.919 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.882 0.894 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.511 0.572 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.825 1.692 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.738 5.238 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 113 10.165 5.145 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.395 4.150 0.722 1.00 0.00 H new ATOM 1804 N ALA A 114 11.339 1.769 -4.346 1.00 0.00 N ATOM 1805 CA ALA A 114 11.161 0.765 -5.323 1.00 0.00 C ATOM 1806 C ALA A 114 12.160 -0.336 -5.079 1.00 0.00 C ATOM 1807 O ALA A 114 13.348 -0.072 -4.838 1.00 0.00 O ATOM 1808 CB ALA A 114 11.328 1.362 -6.696 1.00 0.00 C ATOM 0 H ALA A 114 12.179 2.333 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 114 10.157 0.345 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.190 0.586 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.587 2.147 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.328 1.785 -6.790 1.00 0.00 H new ATOM 1814 N ARG A 115 11.695 -1.539 -5.101 1.00 0.00 N ATOM 1815 CA ARG A 115 12.488 -2.676 -4.862 1.00 0.00 C ATOM 1816 C ARG A 115 12.197 -3.616 -5.987 1.00 0.00 C ATOM 1817 O ARG A 115 11.043 -3.781 -6.386 1.00 0.00 O ATOM 1818 CB ARG A 115 12.071 -3.275 -3.537 1.00 0.00 C ATOM 1819 CG ARG A 115 13.135 -4.052 -2.824 1.00 0.00 C ATOM 1820 CD ARG A 115 14.249 -3.119 -2.349 1.00 0.00 C ATOM 1821 NE ARG A 115 15.211 -3.772 -1.433 1.00 0.00 N ATOM 1822 CZ ARG A 115 16.550 -3.764 -1.579 1.00 0.00 C ATOM 1823 NH1 ARG A 115 17.103 -3.473 -2.750 1.00 0.00 N ATOM 1824 NH2 ARG A 115 17.328 -4.118 -0.561 1.00 0.00 N ATOM 0 H ARG A 115 10.717 -1.755 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 115 13.554 -2.453 -4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 115 11.732 -2.471 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 115 11.217 -3.930 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 115 12.702 -4.575 -1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 115 13.547 -4.811 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 115 14.787 -2.736 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 115 13.804 -2.261 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 115 14.830 -4.267 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 115 16.513 -3.252 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 115 18.118 -3.470 -2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 115 16.911 -4.395 0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 115 18.342 -4.113 -0.669 1.00 0.00 H new ATOM 1838 N LYS A 116 13.203 -4.180 -6.523 1.00 0.00 N ATOM 1839 CA LYS A 116 13.054 -5.021 -7.655 1.00 0.00 C ATOM 1840 C LYS A 116 12.689 -6.424 -7.276 1.00 0.00 C ATOM 1841 O LYS A 116 12.715 -6.795 -6.087 1.00 0.00 O ATOM 1842 CB LYS A 116 14.290 -4.944 -8.520 1.00 0.00 C ATOM 1843 CG LYS A 116 14.407 -3.589 -9.187 1.00 0.00 C ATOM 1844 CD LYS A 116 15.705 -3.395 -9.933 1.00 0.00 C ATOM 1845 CE LYS A 116 15.692 -2.046 -10.629 1.00 0.00 C ATOM 1846 NZ LYS A 116 16.982 -1.721 -11.255 1.00 0.00 N ATOM 0 H LYS A 116 14.163 -4.076 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 116 12.213 -4.659 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.175 -5.131 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.255 -5.725 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.576 -3.461 -9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.313 -2.811 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.546 -3.451 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.839 -4.192 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 116 14.912 -2.041 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.437 -1.271 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.920 -0.791 -11.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.725 -1.698 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.215 -2.444 -11.965 1.00 0.00 H new ATOM 1860 N VAL A 117 12.310 -7.187 -8.270 1.00 0.00 N ATOM 1861 CA VAL A 117 11.893 -8.528 -8.062 1.00 0.00 C ATOM 1862 C VAL A 117 13.055 -9.404 -7.653 1.00 0.00 C ATOM 1863 O VAL A 117 14.213 -9.204 -8.056 1.00 0.00 O ATOM 1864 CB VAL A 117 11.145 -9.075 -9.295 1.00 0.00 C ATOM 1865 CG1 VAL A 117 10.735 -10.543 -9.150 1.00 0.00 C ATOM 1866 CG2 VAL A 117 9.931 -8.211 -9.571 1.00 0.00 C ATOM 0 H VAL A 117 12.286 -6.884 -9.244 1.00 0.00 H new ATOM 0 HA VAL A 117 11.185 -8.541 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 117 11.836 -9.035 -10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 117 10.213 -10.866 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 117 11.624 -11.157 -9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 117 10.075 -10.653 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.401 -8.596 -10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 117 9.268 -8.228 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.250 -7.187 -9.764 1.00 0.00 H new ATOM 1876 N VAL A 118 12.714 -10.351 -6.868 1.00 0.00 N ATOM 1877 CA VAL A 118 13.600 -11.243 -6.232 1.00 0.00 C ATOM 1878 C VAL A 118 14.133 -12.322 -7.160 1.00 0.00 C ATOM 1879 O VAL A 118 13.830 -12.358 -8.355 1.00 0.00 O ATOM 1880 CB VAL A 118 12.888 -11.894 -5.058 1.00 0.00 C ATOM 1881 CG1 VAL A 118 12.666 -10.891 -3.952 1.00 0.00 C ATOM 1882 CG2 VAL A 118 11.563 -12.497 -5.504 1.00 0.00 C ATOM 0 H VAL A 118 11.738 -10.536 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 118 14.459 -10.661 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 118 13.519 -12.696 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.155 -11.375 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.627 -10.505 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 118 12.055 -10.068 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 118 11.068 -12.959 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 118 10.926 -11.713 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.746 -13.252 -6.269 1.00 0.00 H new ATOM 1892 N GLU A 119 14.893 -13.212 -6.582 1.00 0.00 N ATOM 1893 CA GLU A 119 15.548 -14.272 -7.297 1.00 0.00 C ATOM 1894 C GLU A 119 14.720 -15.547 -7.293 1.00 0.00 C ATOM 1895 O GLU A 119 14.984 -16.464 -8.076 1.00 0.00 O ATOM 1896 CB GLU A 119 16.958 -14.526 -6.730 1.00 0.00 C ATOM 1897 CG GLU A 119 17.035 -14.979 -5.257 1.00 0.00 C ATOM 1898 CD GLU A 119 16.591 -13.921 -4.275 1.00 0.00 C ATOM 1899 OE1 GLU A 119 17.428 -13.116 -3.823 1.00 0.00 O ATOM 1900 OE2 GLU A 119 15.390 -13.858 -3.960 1.00 0.00 O ATOM 0 H GLU A 119 15.078 -13.220 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 119 15.650 -13.955 -8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.442 -15.284 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 119 17.539 -13.610 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.417 -15.867 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 119 18.061 -15.268 -5.028 1.00 0.00 H new ATOM 1907 N GLN A 120 13.736 -15.612 -6.414 1.00 0.00 N ATOM 1908 CA GLN A 120 12.851 -16.762 -6.375 1.00 0.00 C ATOM 1909 C GLN A 120 11.880 -16.686 -7.534 1.00 0.00 C ATOM 1910 O GLN A 120 11.750 -17.666 -8.279 1.00 0.00 O ATOM 1911 CB GLN A 120 12.110 -16.923 -5.024 1.00 0.00 C ATOM 1912 CG GLN A 120 11.244 -15.749 -4.605 1.00 0.00 C ATOM 1913 CD GLN A 120 10.472 -15.995 -3.319 1.00 0.00 C ATOM 1914 OE1 GLN A 120 10.103 -17.126 -2.996 1.00 0.00 O ATOM 1915 NE2 GLN A 120 10.199 -14.947 -2.593 1.00 0.00 N ATOM 1916 OXT GLN A 120 11.313 -15.601 -7.765 1.00 0.00 O ATOM 0 H GLN A 120 13.531 -14.890 -5.724 1.00 0.00 H new ATOM 0 HA GLN A 120 13.468 -17.655 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 120 11.483 -17.813 -5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 120 12.850 -17.102 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 120 11.875 -14.869 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 120 10.539 -15.523 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 120 10.519 -14.025 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 120 9.665 -15.050 -1.730 1.00 0.00 H new TER 1925 GLN A 120