USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 666 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 72 HIS : no HD1:sc=-0.00542 X(o=-0.0054,f=0) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -168:sc= -2.2! (180deg=-1.87) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -11.7! C(o=-14!,f=-21!) USER MOD Set 3.1: A 38 THR OG1 : rot -38:sc= 0.351 USER MOD Set 3.2: A 40 SER OG : rot -70:sc= 0.879 USER MOD Set 4.1: A 30 GLN :FLIP amide:sc= -0.956 F(o=-10,f=-9.4) USER MOD Set 4.2: A 79 ASN :FLIP amide:sc= -8.4! C(o=-11!,f=-9.4!) USER MOD Set 5.1: A 28 ASN : amide:sc= -1.01 K(o=-3,f=-4.4!) USER MOD Set 5.2: A 75 ASN :FLIP amide:sc= -1.97! C(o=-4.5!,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -153:sc= 0 (180deg=-0.313) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -3.06! C(o=-8!,f=-3.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 15 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.9!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.359 F(o=-1.7,f=-0.36) USER MOD Single : A 19 GLN :FLIP amide:sc= -9.61! C(o=-11!,f=-9.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 127:sc= 1.03 (180deg=-1.43) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.377 (180deg=-1.33!) USER MOD Single : A 39 ASN :FLIP amide:sc= -2.97! C(o=-4.7!,f=-3!) USER MOD Single : A 44 MET CE :methyl -119:sc= -1.08 (180deg=-1.43) USER MOD Single : A 45 ASN :FLIP amide:sc= -11.5! C(o=-18!,f=-11!) USER MOD Single : A 46 GLN :FLIP amide:sc= -5.78! C(o=-7.4!,f=-5.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS :FLIP no HE2:sc= 0.0778 F(o=-0.43,f=0.078) USER MOD Single : A 60 MET CE :methyl -170:sc= -0.0504 (180deg=-0.0932) USER MOD Single : A 61 CYS SG : rot -57:sc= -2.07! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 174:sc= -1.2! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.531 K(o=-0.53,f=-2.7!) USER MOD Single : A 80 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.522 55.334 -5.306 1.00 0.00 N ATOM 2 CA GLY A 1 7.934 54.840 -4.029 1.00 0.00 C ATOM 3 C GLY A 1 8.013 55.935 -2.971 1.00 0.00 C ATOM 4 O GLY A 1 8.932 55.958 -2.154 1.00 0.00 O ATOM 0 H1 GLY A 1 8.088 54.830 -6.106 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.341 56.354 -5.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.548 55.163 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.896 54.545 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.469 53.953 -3.690 1.00 0.00 H new ATOM 10 N PRO A 2 7.066 56.835 -2.973 1.00 0.00 N ATOM 11 CA PRO A 2 7.022 57.955 -1.992 1.00 0.00 C ATOM 12 C PRO A 2 7.199 57.455 -0.560 1.00 0.00 C ATOM 13 O PRO A 2 6.710 56.383 -0.205 1.00 0.00 O ATOM 14 CB PRO A 2 5.633 58.568 -2.195 1.00 0.00 C ATOM 15 CG PRO A 2 5.221 58.187 -3.579 1.00 0.00 C ATOM 16 CD PRO A 2 5.938 56.879 -3.915 1.00 0.00 C ATOM 0 HA PRO A 2 7.827 58.673 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.926 58.188 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.663 59.651 -2.080 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.140 58.060 -3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.490 58.968 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.279 56.020 -3.788 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.282 56.867 -4.949 1.00 0.00 H new ATOM 24 N LEU A 3 7.911 58.229 0.252 1.00 0.00 N ATOM 25 CA LEU A 3 8.156 57.841 1.635 1.00 0.00 C ATOM 26 C LEU A 3 6.993 58.254 2.532 1.00 0.00 C ATOM 27 O LEU A 3 6.428 59.337 2.382 1.00 0.00 O ATOM 28 CB LEU A 3 9.448 58.489 2.138 1.00 0.00 C ATOM 29 CG LEU A 3 10.582 58.218 1.144 1.00 0.00 C ATOM 30 CD1 LEU A 3 11.880 58.832 1.673 1.00 0.00 C ATOM 31 CD2 LEU A 3 10.771 56.708 0.972 1.00 0.00 C ATOM 0 H LEU A 3 8.325 59.120 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 3 8.253 56.756 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.305 59.563 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.708 58.091 3.119 1.00 0.00 H new ATOM 0 HG LEU A 3 10.329 58.663 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.688 58.640 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.751 59.908 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.127 58.386 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.578 56.521 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.021 56.261 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.848 56.266 0.595 1.00 0.00 H new ATOM 43 N GLY A 4 6.646 57.373 3.466 1.00 0.00 N ATOM 44 CA GLY A 4 5.552 57.632 4.396 1.00 0.00 C ATOM 45 C GLY A 4 5.087 56.329 5.036 1.00 0.00 C ATOM 46 O GLY A 4 5.245 55.254 4.457 1.00 0.00 O ATOM 0 H GLY A 4 7.107 56.473 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.878 58.329 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.722 58.104 3.870 1.00 0.00 H new ATOM 50 N SER A 5 4.512 56.421 6.229 1.00 0.00 N ATOM 51 CA SER A 5 4.038 55.227 6.916 1.00 0.00 C ATOM 52 C SER A 5 2.820 54.668 6.194 1.00 0.00 C ATOM 53 O SER A 5 2.264 53.643 6.587 1.00 0.00 O ATOM 54 CB SER A 5 3.663 55.561 8.359 1.00 0.00 C ATOM 55 OG SER A 5 2.296 55.950 8.409 1.00 0.00 O ATOM 0 H SER A 5 4.364 57.295 6.734 1.00 0.00 H new ATOM 0 HA SER A 5 4.836 54.484 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.831 54.696 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.296 56.365 8.735 1.00 0.00 H new ATOM 0 HG SER A 5 2.050 56.164 9.333 1.00 0.00 H new ATOM 61 N MET A 6 2.416 55.356 5.133 1.00 0.00 N ATOM 62 CA MET A 6 1.264 54.938 4.349 1.00 0.00 C ATOM 63 C MET A 6 1.696 54.025 3.205 1.00 0.00 C ATOM 64 O MET A 6 0.866 53.554 2.428 1.00 0.00 O ATOM 65 CB MET A 6 0.559 56.169 3.777 1.00 0.00 C ATOM 66 CG MET A 6 1.444 57.401 3.984 1.00 0.00 C ATOM 67 SD MET A 6 0.708 58.826 3.143 1.00 0.00 S ATOM 68 CE MET A 6 1.557 58.620 1.556 1.00 0.00 C ATOM 0 H MET A 6 2.870 56.205 4.797 1.00 0.00 H new ATOM 0 HA MET A 6 0.582 54.389 4.999 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.357 56.026 2.715 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.404 56.312 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.551 57.610 5.048 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.444 57.212 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.245 59.409 0.871 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.635 58.678 1.710 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.303 57.649 1.131 1.00 0.00 H new ATOM 78 N ASN A 7 3.001 53.791 3.096 1.00 0.00 N ATOM 79 CA ASN A 7 3.528 52.942 2.032 1.00 0.00 C ATOM 80 C ASN A 7 3.780 51.523 2.528 1.00 0.00 C ATOM 81 O ASN A 7 3.910 51.284 3.728 1.00 0.00 O ATOM 82 CB ASN A 7 4.837 53.528 1.498 1.00 0.00 C ATOM 83 CG ASN A 7 5.977 53.240 2.471 1.00 0.00 C ATOM 84 OD1 ASN A 7 5.717 53.081 3.741 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 7.137 53.161 2.064 1.00 0.00 N flip ATOM 0 H ASN A 7 3.707 54.173 3.725 1.00 0.00 H new ATOM 0 HA ASN A 7 2.784 52.904 1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.065 53.099 0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.732 54.604 1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.339 53.285 1.072 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.895 52.971 2.719 1.00 0.00 H new ATOM 92 N LYS A 8 3.860 50.584 1.587 1.00 0.00 N ATOM 93 CA LYS A 8 4.112 49.188 1.925 1.00 0.00 C ATOM 94 C LYS A 8 5.595 48.986 2.214 1.00 0.00 C ATOM 95 O LYS A 8 6.419 49.843 1.892 1.00 0.00 O ATOM 96 CB LYS A 8 3.695 48.282 0.759 1.00 0.00 C ATOM 97 CG LYS A 8 2.251 48.587 0.345 1.00 0.00 C ATOM 98 CD LYS A 8 1.284 48.120 1.436 1.00 0.00 C ATOM 99 CE LYS A 8 -0.156 48.306 0.952 1.00 0.00 C ATOM 100 NZ LYS A 8 -1.016 48.715 2.099 1.00 0.00 N1+ ATOM 0 H LYS A 8 3.754 50.765 0.589 1.00 0.00 H new ATOM 0 HA LYS A 8 3.530 48.930 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.364 48.435 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.784 47.236 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.131 49.657 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.020 48.087 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.467 47.072 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.448 48.689 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.193 49.062 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.528 47.378 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.995 48.842 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.989 47.979 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.665 49.611 2.494 1.00 0.00 H new ATOM 114 N PHE A 9 5.932 47.857 2.825 1.00 0.00 N ATOM 115 CA PHE A 9 7.323 47.566 3.151 1.00 0.00 C ATOM 116 C PHE A 9 8.084 47.133 1.901 1.00 0.00 C ATOM 117 O PHE A 9 7.505 46.556 0.981 1.00 0.00 O ATOM 118 CB PHE A 9 7.384 46.467 4.213 1.00 0.00 C ATOM 119 CG PHE A 9 6.812 46.996 5.509 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.617 47.742 6.379 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.474 46.745 5.837 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.084 48.235 7.579 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.941 47.237 7.035 1.00 0.00 C ATOM 124 CZ PHE A 9 5.746 47.983 7.904 1.00 0.00 C ATOM 0 H PHE A 9 5.268 47.134 3.103 1.00 0.00 H new ATOM 0 HA PHE A 9 7.791 48.469 3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.821 45.594 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.415 46.145 4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.648 47.938 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.852 46.171 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.705 48.808 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.910 47.041 7.288 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.334 48.365 8.827 1.00 0.00 H new ATOM 134 N THR A 10 9.378 47.439 1.863 1.00 0.00 N ATOM 135 CA THR A 10 10.196 47.099 0.700 1.00 0.00 C ATOM 136 C THR A 10 10.623 45.638 0.729 1.00 0.00 C ATOM 137 O THR A 10 10.644 45.006 1.784 1.00 0.00 O ATOM 138 CB THR A 10 11.441 47.988 0.661 1.00 0.00 C ATOM 139 OG1 THR A 10 12.197 47.791 1.847 1.00 0.00 O ATOM 140 CG2 THR A 10 11.020 49.454 0.554 1.00 0.00 C ATOM 0 H THR A 10 9.879 47.916 2.613 1.00 0.00 H new ATOM 0 HA THR A 10 9.592 47.264 -0.192 1.00 0.00 H new ATOM 0 HB THR A 10 12.050 47.726 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.996 48.358 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.907 50.086 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.441 49.601 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.411 49.722 1.417 1.00 0.00 H new ATOM 148 N ASP A 11 10.946 45.101 -0.446 1.00 0.00 N ATOM 149 CA ASP A 11 11.356 43.706 -0.552 1.00 0.00 C ATOM 150 C ASP A 11 12.501 43.399 0.405 1.00 0.00 C ATOM 151 O ASP A 11 12.500 42.362 1.067 1.00 0.00 O ATOM 152 CB ASP A 11 11.804 43.407 -1.985 1.00 0.00 C ATOM 153 CG ASP A 11 10.616 43.491 -2.937 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.494 43.447 -2.460 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.846 43.596 -4.131 1.00 0.00 O1- ATOM 0 H ASP A 11 10.931 45.608 -1.331 1.00 0.00 H new ATOM 0 HA ASP A 11 10.503 43.080 -0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.573 44.117 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.249 42.413 -2.035 1.00 0.00 H new ATOM 160 N ASP A 12 13.475 44.302 0.483 1.00 0.00 N ATOM 161 CA ASP A 12 14.607 44.093 1.377 1.00 0.00 C ATOM 162 C ASP A 12 14.135 44.064 2.822 1.00 0.00 C ATOM 163 O ASP A 12 14.513 43.188 3.598 1.00 0.00 O ATOM 164 CB ASP A 12 15.640 45.209 1.205 1.00 0.00 C ATOM 165 CG ASP A 12 16.325 45.086 -0.152 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.093 44.095 -0.825 1.00 0.00 O ATOM 167 OD2 ASP A 12 17.077 45.983 -0.495 1.00 0.00 O1- ATOM 0 H ASP A 12 13.503 45.170 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 12 15.068 43.138 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.154 46.181 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.382 45.154 2.002 1.00 0.00 H new ATOM 172 N GLU A 13 13.289 45.022 3.167 1.00 0.00 N ATOM 173 CA GLU A 13 12.747 45.105 4.511 1.00 0.00 C ATOM 174 C GLU A 13 11.844 43.915 4.786 1.00 0.00 C ATOM 175 O GLU A 13 11.828 43.369 5.889 1.00 0.00 O ATOM 176 CB GLU A 13 11.961 46.405 4.652 1.00 0.00 C ATOM 177 CG GLU A 13 12.943 47.578 4.694 1.00 0.00 C ATOM 178 CD GLU A 13 12.196 48.886 4.924 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.977 48.861 4.901 1.00 0.00 O ATOM 180 OE2 GLU A 13 12.855 49.894 5.121 1.00 0.00 O1- ATOM 0 H GLU A 13 12.964 45.752 2.534 1.00 0.00 H new ATOM 0 HA GLU A 13 13.563 45.092 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.272 46.521 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.359 46.385 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.671 47.423 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.499 47.629 3.758 1.00 0.00 H new ATOM 187 N TRP A 14 11.101 43.510 3.768 1.00 0.00 N ATOM 188 CA TRP A 14 10.207 42.381 3.901 1.00 0.00 C ATOM 189 C TRP A 14 11.016 41.130 4.213 1.00 0.00 C ATOM 190 O TRP A 14 10.668 40.367 5.111 1.00 0.00 O ATOM 191 CB TRP A 14 9.425 42.212 2.601 1.00 0.00 C ATOM 192 CG TRP A 14 8.142 41.486 2.855 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.749 40.376 2.196 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.076 41.793 3.809 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.512 39.980 2.678 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.059 40.819 3.672 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.891 42.807 4.770 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.908 40.847 4.452 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.728 42.833 5.560 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.742 41.854 5.398 1.00 0.00 C ATOM 0 H TRP A 14 11.102 43.947 2.846 1.00 0.00 H new ATOM 0 HA TRP A 14 9.503 42.549 4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.217 43.189 2.165 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.025 41.661 1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.308 39.877 1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.999 39.166 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.646 43.568 4.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.147 40.091 4.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.595 43.613 6.295 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.851 41.880 6.008 1.00 0.00 H new ATOM 211 N ASN A 15 12.108 40.927 3.477 1.00 0.00 N ATOM 212 CA ASN A 15 12.960 39.765 3.707 1.00 0.00 C ATOM 213 C ASN A 15 13.436 39.740 5.152 1.00 0.00 C ATOM 214 O ASN A 15 13.497 38.686 5.785 1.00 0.00 O ATOM 215 CB ASN A 15 14.176 39.820 2.784 1.00 0.00 C ATOM 216 CG ASN A 15 13.747 39.668 1.330 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.590 39.356 1.053 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.620 39.862 0.380 1.00 0.00 N ATOM 0 H ASN A 15 12.419 41.544 2.727 1.00 0.00 H new ATOM 0 HA ASN A 15 12.381 38.865 3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.700 40.766 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.877 39.028 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.344 39.755 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.579 40.121 0.613 1.00 0.00 H new ATOM 225 N GLN A 16 13.758 40.915 5.666 1.00 0.00 N ATOM 226 CA GLN A 16 14.215 41.032 7.042 1.00 0.00 C ATOM 227 C GLN A 16 13.085 40.605 7.968 1.00 0.00 C ATOM 228 O GLN A 16 13.291 39.875 8.938 1.00 0.00 O ATOM 229 CB GLN A 16 14.619 42.479 7.321 1.00 0.00 C ATOM 230 CG GLN A 16 15.786 42.853 6.408 1.00 0.00 C ATOM 231 CD GLN A 16 15.988 44.363 6.405 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.943 45.009 5.272 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.188 44.969 7.458 1.00 0.00 N flip ATOM 0 H GLN A 16 13.712 41.797 5.156 1.00 0.00 H new ATOM 0 HA GLN A 16 15.081 40.392 7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.775 43.146 7.146 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.906 42.595 8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.696 42.358 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.591 42.503 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.222 44.460 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.319 45.980 7.447 1.00 0.00 H new ATOM 242 N LEU A 17 11.883 41.063 7.641 1.00 0.00 N ATOM 243 CA LEU A 17 10.697 40.729 8.417 1.00 0.00 C ATOM 244 C LEU A 17 10.462 39.220 8.419 1.00 0.00 C ATOM 245 O LEU A 17 10.102 38.640 9.443 1.00 0.00 O ATOM 246 CB LEU A 17 9.486 41.441 7.811 1.00 0.00 C ATOM 247 CG LEU A 17 8.206 40.994 8.517 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.230 41.461 9.972 1.00 0.00 C ATOM 249 CD2 LEU A 17 7.000 41.608 7.802 1.00 0.00 C ATOM 0 H LEU A 17 11.704 41.669 6.840 1.00 0.00 H new ATOM 0 HA LEU A 17 10.842 41.055 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.604 42.520 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.419 41.219 6.746 1.00 0.00 H new ATOM 0 HG LEU A 17 8.135 39.907 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.316 41.141 10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.092 41.028 10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.299 42.548 10.004 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.083 41.294 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.074 42.695 7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.983 41.273 6.765 1.00 0.00 H new ATOM 261 N LYS A 18 10.671 38.589 7.267 1.00 0.00 N ATOM 262 CA LYS A 18 10.481 37.146 7.157 1.00 0.00 C ATOM 263 C LYS A 18 11.382 36.416 8.139 1.00 0.00 C ATOM 264 O LYS A 18 10.958 35.477 8.809 1.00 0.00 O ATOM 265 CB LYS A 18 10.830 36.678 5.745 1.00 0.00 C ATOM 266 CG LYS A 18 9.859 37.289 4.742 1.00 0.00 C ATOM 267 CD LYS A 18 10.237 36.832 3.336 1.00 0.00 C ATOM 268 CE LYS A 18 9.424 37.614 2.307 1.00 0.00 C ATOM 269 NZ LYS A 18 8.780 36.665 1.360 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.968 39.048 6.406 1.00 0.00 H new ATOM 0 HA LYS A 18 9.437 36.924 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.851 36.968 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.785 35.590 5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.838 36.985 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.890 38.377 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.303 36.987 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.049 35.764 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.666 38.216 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.071 38.303 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.398 37.190 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.484 35.976 1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.007 36.164 1.843 1.00 0.00 H new ATOM 283 N GLN A 19 12.633 36.853 8.212 1.00 0.00 N ATOM 284 CA GLN A 19 13.590 36.230 9.108 1.00 0.00 C ATOM 285 C GLN A 19 13.137 36.372 10.555 1.00 0.00 C ATOM 286 O GLN A 19 13.244 35.427 11.336 1.00 0.00 O ATOM 287 CB GLN A 19 14.968 36.868 8.925 1.00 0.00 C ATOM 288 CG GLN A 19 15.601 36.390 7.608 1.00 0.00 C ATOM 289 CD GLN A 19 14.542 35.813 6.670 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.250 34.542 6.729 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 13.967 36.538 5.861 1.00 0.00 N flip ATOM 0 H GLN A 19 13.003 37.630 7.665 1.00 0.00 H new ATOM 0 HA GLN A 19 13.653 35.169 8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.877 37.954 8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.613 36.606 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.109 37.223 7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.358 35.634 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.195 37.531 5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.262 36.146 5.236 1.00 0.00 H new ATOM 300 N ASP A 20 12.630 37.549 10.911 1.00 0.00 N ATOM 301 CA ASP A 20 12.169 37.778 12.272 1.00 0.00 C ATOM 302 C ASP A 20 11.076 36.784 12.625 1.00 0.00 C ATOM 303 O ASP A 20 11.060 36.224 13.720 1.00 0.00 O ATOM 304 CB ASP A 20 11.616 39.198 12.401 1.00 0.00 C ATOM 305 CG ASP A 20 12.721 40.217 12.155 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.876 39.859 12.317 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.398 41.340 11.805 1.00 0.00 O1- ATOM 0 H ASP A 20 12.530 38.347 10.284 1.00 0.00 H new ATOM 0 HA ASP A 20 13.010 37.649 12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.807 39.348 11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.193 39.342 13.395 1.00 0.00 H new ATOM 312 N PHE A 21 10.166 36.557 11.686 1.00 0.00 N ATOM 313 CA PHE A 21 9.082 35.617 11.913 1.00 0.00 C ATOM 314 C PHE A 21 9.646 34.209 12.039 1.00 0.00 C ATOM 315 O PHE A 21 9.291 33.466 12.949 1.00 0.00 O ATOM 316 CB PHE A 21 8.078 35.682 10.760 1.00 0.00 C ATOM 317 CG PHE A 21 7.186 36.897 10.916 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.606 38.001 11.677 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.933 36.921 10.292 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.773 39.117 11.810 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.102 38.039 10.427 1.00 0.00 C ATOM 322 CZ PHE A 21 5.522 39.138 11.186 1.00 0.00 C ATOM 0 H PHE A 21 10.158 37.007 10.770 1.00 0.00 H new ATOM 0 HA PHE A 21 8.567 35.880 12.837 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.607 35.729 9.808 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.472 34.776 10.743 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.572 37.988 12.159 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.607 36.075 9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.097 39.964 12.396 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.136 38.054 9.945 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.881 40.001 11.289 1.00 0.00 H new ATOM 332 N ILE A 22 10.555 33.858 11.134 1.00 0.00 N ATOM 333 CA ILE A 22 11.182 32.545 11.183 1.00 0.00 C ATOM 334 C ILE A 22 11.868 32.364 12.528 1.00 0.00 C ATOM 335 O ILE A 22 11.685 31.351 13.203 1.00 0.00 O ATOM 336 CB ILE A 22 12.199 32.392 10.052 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.463 32.375 8.710 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.970 31.084 10.229 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.475 32.254 7.569 1.00 0.00 C ATOM 0 H ILE A 22 10.869 34.456 10.369 1.00 0.00 H new ATOM 0 HA ILE A 22 10.415 31.781 11.059 1.00 0.00 H new ATOM 0 HB ILE A 22 12.898 33.228 10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.763 31.540 8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.877 33.287 8.594 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.695 30.977 9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.492 31.096 11.186 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.274 30.245 10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.948 32.242 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.157 33.104 7.596 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.042 31.330 7.682 1.00 0.00 H new ATOM 351 N SER A 23 12.653 33.363 12.915 1.00 0.00 N ATOM 352 CA SER A 23 13.350 33.312 14.190 1.00 0.00 C ATOM 353 C SER A 23 12.338 33.127 15.314 1.00 0.00 C ATOM 354 O SER A 23 12.544 32.326 16.224 1.00 0.00 O ATOM 355 CB SER A 23 14.137 34.605 14.407 1.00 0.00 C ATOM 356 OG SER A 23 15.064 34.416 15.468 1.00 0.00 O ATOM 0 H SER A 23 12.820 34.208 12.369 1.00 0.00 H new ATOM 0 HA SER A 23 14.045 32.473 14.187 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.663 34.882 13.494 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.457 35.423 14.644 1.00 0.00 H new ATOM 0 HG SER A 23 15.572 35.242 15.610 1.00 0.00 H new ATOM 362 N GLY A 24 11.232 33.863 15.229 1.00 0.00 N ATOM 363 CA GLY A 24 10.176 33.768 16.231 1.00 0.00 C ATOM 364 C GLY A 24 9.621 32.349 16.290 1.00 0.00 C ATOM 365 O GLY A 24 9.302 31.841 17.364 1.00 0.00 O ATOM 0 H GLY A 24 11.045 34.529 14.479 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.567 34.053 17.208 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.376 34.468 15.992 1.00 0.00 H new ATOM 369 N ILE A 25 9.523 31.709 15.126 1.00 0.00 N ATOM 370 CA ILE A 25 9.019 30.342 15.057 1.00 0.00 C ATOM 371 C ILE A 25 10.037 29.376 15.646 1.00 0.00 C ATOM 372 O ILE A 25 9.684 28.496 16.428 1.00 0.00 O ATOM 373 CB ILE A 25 8.734 29.957 13.602 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.570 30.791 13.058 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.382 28.471 13.522 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.349 30.629 13.966 1.00 0.00 C ATOM 0 H ILE A 25 9.784 32.112 14.226 1.00 0.00 H new ATOM 0 HA ILE A 25 8.095 30.285 15.632 1.00 0.00 H new ATOM 0 HB ILE A 25 9.623 30.152 13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.857 31.841 13.003 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.326 30.474 12.044 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.180 28.200 12.486 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.217 27.879 13.895 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.498 28.273 14.128 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.524 31.224 13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.056 29.580 13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.596 30.968 14.972 1.00 0.00 H new ATOM 388 N LEU A 26 11.302 29.562 15.284 1.00 0.00 N ATOM 389 CA LEU A 26 12.364 28.709 15.803 1.00 0.00 C ATOM 390 C LEU A 26 12.591 29.031 17.276 1.00 0.00 C ATOM 391 O LEU A 26 12.960 28.168 18.072 1.00 0.00 O ATOM 392 CB LEU A 26 13.652 28.924 14.997 1.00 0.00 C ATOM 393 CG LEU A 26 14.596 29.864 15.753 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.283 29.096 16.887 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.656 30.414 14.792 1.00 0.00 C ATOM 0 H LEU A 26 11.615 30.288 14.640 1.00 0.00 H new ATOM 0 HA LEU A 26 12.074 27.663 15.708 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.144 27.967 14.820 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.413 29.345 14.020 1.00 0.00 H new ATOM 0 HG LEU A 26 14.023 30.692 16.170 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.955 29.765 17.425 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.530 28.710 17.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.854 28.266 16.471 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.326 31.082 15.333 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.229 29.588 14.371 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.167 30.963 13.987 1.00 0.00 H new ATOM 407 N GLU A 27 12.336 30.289 17.622 1.00 0.00 N ATOM 408 CA GLU A 27 12.478 30.754 18.995 1.00 0.00 C ATOM 409 C GLU A 27 11.299 30.271 19.838 1.00 0.00 C ATOM 410 O GLU A 27 11.403 30.147 21.058 1.00 0.00 O ATOM 411 CB GLU A 27 12.544 32.285 19.017 1.00 0.00 C ATOM 412 CG GLU A 27 12.671 32.780 20.460 1.00 0.00 C ATOM 413 CD GLU A 27 14.027 32.383 21.034 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.944 32.179 20.255 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 14.128 32.288 22.247 1.00 0.00 O ATOM 0 H GLU A 27 12.029 31.007 16.966 1.00 0.00 H new ATOM 0 HA GLU A 27 13.399 30.349 19.415 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.395 32.630 18.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.648 32.703 18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.557 33.864 20.492 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.872 32.357 21.069 1.00 0.00 H new ATOM 422 N ASN A 28 10.175 30.018 19.172 1.00 0.00 N ATOM 423 CA ASN A 28 8.966 29.565 19.855 1.00 0.00 C ATOM 424 C ASN A 28 8.722 28.073 19.656 1.00 0.00 C ATOM 425 O ASN A 28 9.325 27.436 18.792 1.00 0.00 O ATOM 426 CB ASN A 28 7.754 30.336 19.335 1.00 0.00 C ATOM 427 CG ASN A 28 7.827 31.790 19.782 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.655 32.141 20.621 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.997 32.660 19.274 1.00 0.00 N ATOM 0 H ASN A 28 10.076 30.119 18.162 1.00 0.00 H new ATOM 0 HA ASN A 28 9.109 29.751 20.920 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.719 30.283 18.247 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.836 29.879 19.706 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.034 33.635 19.573 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.312 32.365 18.578 1.00 0.00 H new ATOM 436 N GLU A 29 7.810 27.532 20.458 1.00 0.00 N ATOM 437 CA GLU A 29 7.455 26.123 20.369 1.00 0.00 C ATOM 438 C GLU A 29 6.938 25.802 18.971 1.00 0.00 C ATOM 439 O GLU A 29 7.041 24.668 18.503 1.00 0.00 O ATOM 440 CB GLU A 29 6.377 25.795 21.405 1.00 0.00 C ATOM 441 CG GLU A 29 6.052 24.301 21.362 1.00 0.00 C ATOM 442 CD GLU A 29 4.926 23.987 22.343 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.052 24.824 22.498 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 4.955 22.915 22.924 1.00 0.00 O ATOM 0 H GLU A 29 7.304 28.050 21.177 1.00 0.00 H new ATOM 0 HA GLU A 29 8.342 25.521 20.567 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.721 26.073 22.401 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.478 26.378 21.204 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.758 24.013 20.353 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.939 23.719 21.614 1.00 0.00 H new ATOM 451 N GLN A 30 6.381 26.813 18.309 1.00 0.00 N ATOM 452 CA GLN A 30 5.848 26.640 16.964 1.00 0.00 C ATOM 453 C GLN A 30 6.907 26.026 16.053 1.00 0.00 C ATOM 454 O GLN A 30 6.601 25.543 14.962 1.00 0.00 O ATOM 455 CB GLN A 30 5.400 27.989 16.397 1.00 0.00 C ATOM 456 CG GLN A 30 4.332 28.600 17.307 1.00 0.00 C ATOM 457 CD GLN A 30 3.110 27.691 17.365 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.616 27.349 18.522 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 2.590 27.282 16.325 1.00 0.00 N flip ATOM 0 H GLN A 30 6.288 27.758 18.682 1.00 0.00 H new ATOM 0 HA GLN A 30 4.989 25.971 17.014 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.253 28.663 16.318 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.003 27.858 15.390 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.736 28.743 18.309 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.046 29.584 16.935 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.978 27.551 15.421 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.772 26.675 16.369 1.00 0.00 H new ATOM 468 N LYS A 31 8.155 26.055 16.505 1.00 0.00 N ATOM 469 CA LYS A 31 9.251 25.502 15.722 1.00 0.00 C ATOM 470 C LYS A 31 8.977 24.038 15.379 1.00 0.00 C ATOM 471 O LYS A 31 9.348 23.563 14.305 1.00 0.00 O ATOM 472 CB LYS A 31 10.559 25.612 16.511 1.00 0.00 C ATOM 473 CG LYS A 31 10.560 24.611 17.665 1.00 0.00 C ATOM 474 CD LYS A 31 11.801 24.844 18.530 1.00 0.00 C ATOM 475 CE LYS A 31 13.057 24.534 17.712 1.00 0.00 C ATOM 476 NZ LYS A 31 13.718 25.807 17.308 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.431 26.453 17.403 1.00 0.00 H new ATOM 0 HA LYS A 31 9.338 26.069 14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.407 25.422 15.853 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.676 26.625 16.897 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.657 24.727 18.264 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.557 23.592 17.279 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.826 25.877 18.878 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.765 24.210 19.416 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.745 23.926 18.300 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.793 23.953 16.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.718 25.785 17.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.655 25.919 16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.243 26.607 17.772 1.00 0.00 H new ATOM 490 N ASP A 32 8.322 23.330 16.295 1.00 0.00 N ATOM 491 CA ASP A 32 8.000 21.922 16.072 1.00 0.00 C ATOM 492 C ASP A 32 6.992 21.765 14.938 1.00 0.00 C ATOM 493 O ASP A 32 7.123 20.876 14.100 1.00 0.00 O ATOM 494 CB ASP A 32 7.426 21.303 17.346 1.00 0.00 C ATOM 495 CG ASP A 32 7.204 19.807 17.141 1.00 0.00 C ATOM 496 OD1 ASP A 32 7.642 19.297 16.124 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 6.597 19.195 18.004 1.00 0.00 O ATOM 0 H ASP A 32 8.006 23.703 17.190 1.00 0.00 H new ATOM 0 HA ASP A 32 8.921 21.408 15.798 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.108 21.468 18.180 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.484 21.787 17.604 1.00 0.00 H new ATOM 502 N LEU A 33 5.987 22.632 14.919 1.00 0.00 N ATOM 503 CA LEU A 33 4.966 22.569 13.879 1.00 0.00 C ATOM 504 C LEU A 33 5.594 22.782 12.512 1.00 0.00 C ATOM 505 O LEU A 33 5.204 22.150 11.532 1.00 0.00 O ATOM 506 CB LEU A 33 3.889 23.623 14.134 1.00 0.00 C ATOM 507 CG LEU A 33 2.978 23.145 15.265 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.765 23.111 16.577 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.798 24.106 15.403 1.00 0.00 C ATOM 0 H LEU A 33 5.857 23.378 15.602 1.00 0.00 H new ATOM 0 HA LEU A 33 4.504 21.582 13.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.350 24.575 14.399 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.307 23.792 13.228 1.00 0.00 H new ATOM 0 HG LEU A 33 2.610 22.144 15.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.115 22.770 17.383 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.608 22.428 16.478 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.133 24.111 16.806 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.146 23.768 16.209 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.168 25.106 15.630 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.237 24.130 14.469 1.00 0.00 H new ATOM 521 N VAL A 34 6.586 23.658 12.455 1.00 0.00 N ATOM 522 CA VAL A 34 7.273 23.921 11.201 1.00 0.00 C ATOM 523 C VAL A 34 7.952 22.642 10.719 1.00 0.00 C ATOM 524 O VAL A 34 7.850 22.270 9.545 1.00 0.00 O ATOM 525 CB VAL A 34 8.300 25.045 11.402 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.649 24.654 10.801 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.802 26.312 10.707 1.00 0.00 C ATOM 0 H VAL A 34 6.930 24.193 13.253 1.00 0.00 H new ATOM 0 HA VAL A 34 6.557 24.242 10.444 1.00 0.00 H new ATOM 0 HB VAL A 34 8.422 25.219 12.471 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.363 25.463 10.953 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.016 23.750 11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.532 24.470 9.733 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.528 27.113 10.847 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.677 26.118 9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.845 26.610 11.136 1.00 0.00 H new ATOM 537 N ALA A 35 8.629 21.964 11.638 1.00 0.00 N ATOM 538 CA ALA A 35 9.305 20.720 11.299 1.00 0.00 C ATOM 539 C ALA A 35 8.284 19.678 10.871 1.00 0.00 C ATOM 540 O ALA A 35 8.474 18.988 9.874 1.00 0.00 O ATOM 541 CB ALA A 35 10.091 20.196 12.502 1.00 0.00 C ATOM 0 H ALA A 35 8.724 22.251 12.612 1.00 0.00 H new ATOM 0 HA ALA A 35 9.996 20.913 10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.591 19.265 12.233 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.835 20.935 12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.408 20.014 13.332 1.00 0.00 H new ATOM 547 N LYS A 36 7.196 19.579 11.628 1.00 0.00 N ATOM 548 CA LYS A 36 6.147 18.624 11.306 1.00 0.00 C ATOM 549 C LYS A 36 5.549 18.951 9.941 1.00 0.00 C ATOM 550 O LYS A 36 5.279 18.059 9.142 1.00 0.00 O ATOM 551 CB LYS A 36 5.056 18.657 12.381 1.00 0.00 C ATOM 552 CG LYS A 36 5.634 18.185 13.719 1.00 0.00 C ATOM 553 CD LYS A 36 4.578 18.336 14.819 1.00 0.00 C ATOM 554 CE LYS A 36 3.473 17.291 14.633 1.00 0.00 C ATOM 555 NZ LYS A 36 4.067 16.007 14.166 1.00 0.00 N1+ ATOM 0 H LYS A 36 7.020 20.143 12.460 1.00 0.00 H new ATOM 0 HA LYS A 36 6.577 17.623 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.661 19.668 12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.224 18.017 12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.948 17.144 13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.520 18.768 13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.042 18.216 15.798 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.151 19.338 14.789 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.944 17.137 15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.740 17.648 13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.392 15.233 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.280 16.072 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.944 15.819 14.692 1.00 0.00 H new ATOM 569 N LEU A 37 5.360 20.240 9.674 1.00 0.00 N ATOM 570 CA LEU A 37 4.803 20.668 8.395 1.00 0.00 C ATOM 571 C LEU A 37 5.586 20.053 7.246 1.00 0.00 C ATOM 572 O LEU A 37 5.005 19.560 6.280 1.00 0.00 O ATOM 573 CB LEU A 37 4.858 22.194 8.282 1.00 0.00 C ATOM 574 CG LEU A 37 4.257 22.631 6.939 1.00 0.00 C ATOM 575 CD1 LEU A 37 3.420 23.897 7.136 1.00 0.00 C ATOM 576 CD2 LEU A 37 5.383 22.921 5.937 1.00 0.00 C ATOM 0 H LEU A 37 5.582 20.999 10.318 1.00 0.00 H new ATOM 0 HA LEU A 37 3.766 20.336 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.307 22.650 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.889 22.538 8.360 1.00 0.00 H new ATOM 0 HG LEU A 37 3.624 21.831 6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.995 24.204 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.615 23.695 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.053 24.695 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.952 23.231 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.018 23.718 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.979 22.021 5.789 1.00 0.00 H new ATOM 588 N THR A 38 6.907 20.087 7.357 1.00 0.00 N ATOM 589 CA THR A 38 7.757 19.529 6.314 1.00 0.00 C ATOM 590 C THR A 38 8.399 18.223 6.772 1.00 0.00 C ATOM 591 O THR A 38 9.158 17.603 6.027 1.00 0.00 O ATOM 592 CB THR A 38 8.847 20.535 5.950 1.00 0.00 C ATOM 593 OG1 THR A 38 9.484 20.126 4.749 1.00 0.00 O ATOM 594 CG2 THR A 38 9.874 20.599 7.077 1.00 0.00 C ATOM 0 H THR A 38 7.409 20.490 8.148 1.00 0.00 H new ATOM 0 HA THR A 38 7.139 19.321 5.441 1.00 0.00 H new ATOM 0 HB THR A 38 8.403 21.520 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.570 19.150 4.740 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.653 21.317 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.384 20.912 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.320 19.615 7.219 1.00 0.00 H new ATOM 602 N ASN A 39 8.099 17.813 7.998 1.00 0.00 N ATOM 603 CA ASN A 39 8.663 16.580 8.538 1.00 0.00 C ATOM 604 C ASN A 39 10.184 16.568 8.376 1.00 0.00 C ATOM 605 O ASN A 39 10.782 15.510 8.188 1.00 0.00 O ATOM 606 CB ASN A 39 8.075 15.370 7.807 1.00 0.00 C ATOM 607 CG ASN A 39 6.567 15.527 7.655 1.00 0.00 C ATOM 608 OD1 ASN A 39 5.859 15.952 8.662 1.00 0.00 O flip ATOM 609 ND2 ASN A 39 6.020 15.255 6.586 1.00 0.00 N flip ATOM 0 H ASN A 39 7.474 18.310 8.633 1.00 0.00 H new ATOM 0 HA ASN A 39 8.414 16.528 9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.538 15.269 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.299 14.458 8.360 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.576 14.922 5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.010 15.362 6.488 1.00 0.00 H new ATOM 616 N SER A 40 10.805 17.744 8.441 1.00 0.00 N ATOM 617 CA SER A 40 12.256 17.831 8.285 1.00 0.00 C ATOM 618 C SER A 40 12.744 19.273 8.417 1.00 0.00 C ATOM 619 O SER A 40 12.616 19.889 9.474 1.00 0.00 O ATOM 620 CB SER A 40 12.657 17.282 6.917 1.00 0.00 C ATOM 621 OG SER A 40 11.980 18.014 5.904 1.00 0.00 O ATOM 0 H SER A 40 10.336 18.636 8.598 1.00 0.00 H new ATOM 0 HA SER A 40 12.718 17.240 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 40 13.736 17.362 6.781 1.00 0.00 H new ATOM 0 HB3 SER A 40 12.405 16.224 6.848 1.00 0.00 H new ATOM 0 HG SER A 40 11.026 17.790 5.920 1.00 0.00 H new ATOM 627 N ASP A 41 13.310 19.800 7.334 1.00 0.00 N ATOM 628 CA ASP A 41 13.825 21.168 7.332 1.00 0.00 C ATOM 629 C ASP A 41 13.046 22.040 8.316 1.00 0.00 C ATOM 630 O ASP A 41 11.973 22.546 7.994 1.00 0.00 O ATOM 631 CB ASP A 41 13.707 21.760 5.928 1.00 0.00 C ATOM 632 CG ASP A 41 14.329 20.812 4.910 1.00 0.00 C ATOM 633 OD1 ASP A 41 15.448 20.383 5.135 1.00 0.00 O ATOM 634 OD2 ASP A 41 13.676 20.525 3.919 1.00 0.00 O1- ATOM 0 H ASP A 41 13.424 19.304 6.450 1.00 0.00 H new ATOM 0 HA ASP A 41 14.871 21.143 7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.659 21.933 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.207 22.728 5.889 1.00 0.00 H new ATOM 639 N PRO A 42 13.563 22.227 9.499 1.00 0.00 N ATOM 640 CA PRO A 42 12.904 23.049 10.541 1.00 0.00 C ATOM 641 C PRO A 42 13.242 24.527 10.400 1.00 0.00 C ATOM 642 O PRO A 42 12.366 25.359 10.180 1.00 0.00 O ATOM 643 CB PRO A 42 13.471 22.478 11.836 1.00 0.00 C ATOM 644 CG PRO A 42 14.840 21.987 11.484 1.00 0.00 C ATOM 645 CD PRO A 42 14.841 21.678 9.980 1.00 0.00 C ATOM 0 HA PRO A 42 11.816 23.006 10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 42 13.514 23.238 12.616 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.848 21.668 12.215 1.00 0.00 H new ATOM 0 HG2 PRO A 42 15.591 22.740 11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 42 15.088 21.095 12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 42 15.689 22.144 9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.910 20.606 9.793 1.00 0.00 H new ATOM 653 N ILE A 43 14.520 24.844 10.526 1.00 0.00 N ATOM 654 CA ILE A 43 14.962 26.226 10.411 1.00 0.00 C ATOM 655 C ILE A 43 14.450 26.844 9.120 1.00 0.00 C ATOM 656 O ILE A 43 14.124 28.030 9.081 1.00 0.00 O ATOM 657 CB ILE A 43 16.490 26.297 10.435 1.00 0.00 C ATOM 658 CG1 ILE A 43 17.020 25.770 11.775 1.00 0.00 C ATOM 659 CG2 ILE A 43 16.933 27.746 10.235 1.00 0.00 C ATOM 660 CD1 ILE A 43 16.842 26.828 12.872 1.00 0.00 C ATOM 0 H ILE A 43 15.265 24.171 10.706 1.00 0.00 H new ATOM 0 HA ILE A 43 14.560 26.783 11.257 1.00 0.00 H new ATOM 0 HB ILE A 43 16.892 25.680 9.631 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.490 24.858 12.050 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.074 25.509 11.680 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.022 27.799 10.252 1.00 0.00 H new ATOM 0 HG22 ILE A 43 16.567 28.109 9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.527 28.364 11.036 1.00 0.00 H new ATOM 0 HD11 ILE A 43 17.222 26.440 13.817 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.393 27.729 12.602 1.00 0.00 H new ATOM 0 HD13 ILE A 43 15.784 27.068 12.978 1.00 0.00 H new ATOM 672 N MET A 44 14.374 26.044 8.065 1.00 0.00 N ATOM 673 CA MET A 44 13.892 26.556 6.794 1.00 0.00 C ATOM 674 C MET A 44 12.521 27.196 6.976 1.00 0.00 C ATOM 675 O MET A 44 12.171 28.143 6.275 1.00 0.00 O ATOM 676 CB MET A 44 13.794 25.439 5.755 1.00 0.00 C ATOM 677 CG MET A 44 13.413 26.062 4.413 1.00 0.00 C ATOM 678 SD MET A 44 12.887 24.771 3.259 1.00 0.00 S ATOM 679 CE MET A 44 11.932 25.836 2.146 1.00 0.00 C ATOM 0 H MET A 44 14.635 25.058 8.064 1.00 0.00 H new ATOM 0 HA MET A 44 14.603 27.302 6.440 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.745 24.913 5.673 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.048 24.704 6.057 1.00 0.00 H new ATOM 0 HG2 MET A 44 12.610 26.785 4.553 1.00 0.00 H new ATOM 0 HG3 MET A 44 14.263 26.606 4.001 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.891 25.512 2.136 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.988 26.868 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 44 12.342 25.770 1.138 1.00 0.00 H new ATOM 689 N ASN A 45 11.750 26.673 7.925 1.00 0.00 N ATOM 690 CA ASN A 45 10.421 27.208 8.194 1.00 0.00 C ATOM 691 C ASN A 45 9.626 27.322 6.904 1.00 0.00 C ATOM 692 O ASN A 45 8.834 28.248 6.738 1.00 0.00 O ATOM 693 CB ASN A 45 10.529 28.588 8.847 1.00 0.00 C ATOM 694 CG ASN A 45 11.167 28.470 10.227 1.00 0.00 C ATOM 695 OD1 ASN A 45 12.248 27.758 10.376 1.00 0.00 O flip ATOM 696 ND2 ASN A 45 10.666 29.043 11.195 1.00 0.00 N flip ATOM 0 H ASN A 45 12.020 25.886 8.515 1.00 0.00 H new ATOM 0 HA ASN A 45 9.908 26.526 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.125 29.250 8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.539 29.036 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.820 29.600 11.076 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.097 28.961 12.116 1.00 0.00 H new ATOM 703 N GLN A 46 9.864 26.396 5.981 1.00 0.00 N ATOM 704 CA GLN A 46 9.180 26.427 4.695 1.00 0.00 C ATOM 705 C GLN A 46 9.233 27.848 4.136 1.00 0.00 C ATOM 706 O GLN A 46 8.211 28.484 3.887 1.00 0.00 O ATOM 707 CB GLN A 46 7.727 25.931 4.831 1.00 0.00 C ATOM 708 CG GLN A 46 6.950 26.777 5.850 1.00 0.00 C ATOM 709 CD GLN A 46 5.474 26.388 5.852 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.899 26.016 4.743 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 4.829 26.419 6.900 1.00 0.00 N flip ATOM 0 H GLN A 46 10.519 25.623 6.098 1.00 0.00 H new ATOM 0 HA GLN A 46 9.683 25.754 4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.231 25.977 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.723 24.886 5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.371 26.636 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.053 27.835 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.279 26.710 7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.844 26.153 6.901 1.00 0.00 H new ATOM 720 N LEU A 47 10.463 28.330 3.972 1.00 0.00 N ATOM 721 CA LEU A 47 10.719 29.681 3.474 1.00 0.00 C ATOM 722 C LEU A 47 9.821 30.058 2.296 1.00 0.00 C ATOM 723 O LEU A 47 9.170 31.101 2.322 1.00 0.00 O ATOM 724 CB LEU A 47 12.182 29.806 3.033 1.00 0.00 C ATOM 725 CG LEU A 47 13.040 30.319 4.193 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.502 29.932 3.960 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.929 31.844 4.283 1.00 0.00 C ATOM 0 H LEU A 47 11.308 27.798 4.180 1.00 0.00 H new ATOM 0 HA LEU A 47 10.500 30.363 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.553 28.838 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.257 30.487 2.186 1.00 0.00 H new ATOM 0 HG LEU A 47 12.687 29.873 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.111 30.298 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.586 28.847 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.852 30.375 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.541 32.205 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.278 32.290 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.889 32.124 4.452 1.00 0.00 H new ATOM 739 N ASP A 48 9.811 29.236 1.252 1.00 0.00 N ATOM 740 CA ASP A 48 9.015 29.549 0.067 1.00 0.00 C ATOM 741 C ASP A 48 7.525 29.657 0.380 1.00 0.00 C ATOM 742 O ASP A 48 6.885 30.645 0.018 1.00 0.00 O ATOM 743 CB ASP A 48 9.230 28.484 -1.007 1.00 0.00 C ATOM 744 CG ASP A 48 8.625 28.956 -2.324 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.003 30.005 -2.324 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 8.794 28.263 -3.314 1.00 0.00 O ATOM 0 H ASP A 48 10.335 28.362 1.200 1.00 0.00 H new ATOM 0 HA ASP A 48 9.351 30.521 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.295 28.290 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.770 27.545 -0.700 1.00 0.00 H new ATOM 751 N LEU A 49 6.970 28.651 1.047 1.00 0.00 N ATOM 752 CA LEU A 49 5.552 28.684 1.381 1.00 0.00 C ATOM 753 C LEU A 49 5.280 29.811 2.370 1.00 0.00 C ATOM 754 O LEU A 49 4.275 30.514 2.268 1.00 0.00 O ATOM 755 CB LEU A 49 5.132 27.349 1.987 1.00 0.00 C ATOM 756 CG LEU A 49 5.291 26.242 0.943 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.858 24.988 1.610 1.00 0.00 C ATOM 758 CD2 LEU A 49 3.924 25.917 0.337 1.00 0.00 C ATOM 0 H LEU A 49 7.469 27.819 1.362 1.00 0.00 H new ATOM 0 HA LEU A 49 4.975 28.860 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.741 27.127 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.097 27.400 2.324 1.00 0.00 H new ATOM 0 HG LEU A 49 5.971 26.577 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.971 24.200 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.830 25.216 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.178 24.653 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.034 25.128 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.248 25.582 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.515 26.809 -0.137 1.00 0.00 H new ATOM 770 N LEU A 50 6.180 29.959 3.337 1.00 0.00 N ATOM 771 CA LEU A 50 6.028 30.990 4.355 1.00 0.00 C ATOM 772 C LEU A 50 5.961 32.361 3.694 1.00 0.00 C ATOM 773 O LEU A 50 5.132 33.194 4.056 1.00 0.00 O ATOM 774 CB LEU A 50 7.218 30.949 5.318 1.00 0.00 C ATOM 775 CG LEU A 50 6.797 31.487 6.686 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.030 31.635 7.579 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.124 32.850 6.523 1.00 0.00 C ATOM 0 H LEU A 50 7.016 29.383 3.436 1.00 0.00 H new ATOM 0 HA LEU A 50 5.107 30.808 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.583 29.927 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.040 31.544 4.920 1.00 0.00 H new ATOM 0 HG LEU A 50 6.095 30.790 7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.729 32.019 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.508 30.663 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.733 32.329 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.826 33.228 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.823 33.548 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.243 32.747 5.890 1.00 0.00 H new ATOM 789 N HIS A 51 6.843 32.585 2.726 1.00 0.00 N ATOM 790 CA HIS A 51 6.888 33.854 2.016 1.00 0.00 C ATOM 791 C HIS A 51 5.551 34.161 1.348 1.00 0.00 C ATOM 792 O HIS A 51 5.031 35.270 1.472 1.00 0.00 O ATOM 793 CB HIS A 51 7.982 33.799 0.949 1.00 0.00 C ATOM 794 CG HIS A 51 9.331 33.781 1.611 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.481 34.186 0.952 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.731 33.415 2.873 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.508 34.057 1.812 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.107 33.592 2.998 1.00 0.00 N ATOM 0 H HIS A 51 7.536 31.903 2.416 1.00 0.00 H new ATOM 0 HA HIS A 51 7.102 34.642 2.738 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.857 32.910 0.331 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.902 34.661 0.287 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.538 34.521 -0.010 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.078 33.046 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.533 34.300 1.572 1.00 0.00 H new ATOM 807 N LYS A 52 5.001 33.179 0.639 1.00 0.00 N ATOM 808 CA LYS A 52 3.726 33.376 -0.044 1.00 0.00 C ATOM 809 C LYS A 52 2.640 33.719 0.968 1.00 0.00 C ATOM 810 O LYS A 52 1.883 34.673 0.788 1.00 0.00 O ATOM 811 CB LYS A 52 3.341 32.099 -0.796 1.00 0.00 C ATOM 812 CG LYS A 52 4.396 31.794 -1.860 1.00 0.00 C ATOM 813 CD LYS A 52 4.088 30.444 -2.516 1.00 0.00 C ATOM 814 CE LYS A 52 2.690 30.480 -3.138 1.00 0.00 C ATOM 815 NZ LYS A 52 2.663 29.608 -4.347 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.411 32.252 0.523 1.00 0.00 H new ATOM 0 HA LYS A 52 3.826 34.198 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.260 31.265 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.363 32.220 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.406 32.582 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.388 31.772 -1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.832 30.223 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.146 29.647 -1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.949 30.140 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.426 31.503 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.714 29.631 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.359 29.952 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.897 28.632 -4.076 1.00 0.00 H new ATOM 829 N TRP A 53 2.585 32.937 2.037 1.00 0.00 N ATOM 830 CA TRP A 53 1.607 33.151 3.096 1.00 0.00 C ATOM 831 C TRP A 53 1.788 34.538 3.713 1.00 0.00 C ATOM 832 O TRP A 53 0.841 35.325 3.820 1.00 0.00 O ATOM 833 CB TRP A 53 1.824 32.072 4.162 1.00 0.00 C ATOM 834 CG TRP A 53 0.697 32.037 5.144 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.372 31.211 5.071 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.524 32.823 6.359 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.186 31.435 6.168 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.678 32.420 6.988 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.284 33.835 6.972 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.107 32.996 8.183 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.853 34.421 8.173 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.342 33.999 8.778 1.00 0.00 C ATOM 0 H TRP A 53 3.209 32.145 2.195 1.00 0.00 H new ATOM 0 HA TRP A 53 0.597 33.090 2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.919 31.098 3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.760 32.261 4.687 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.560 30.494 4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.055 30.933 6.348 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.206 34.164 6.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.026 32.667 8.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.443 35.200 8.633 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.668 34.451 9.703 1.00 0.00 H new ATOM 853 N LEU A 54 3.017 34.828 4.119 1.00 0.00 N ATOM 854 CA LEU A 54 3.322 36.112 4.732 1.00 0.00 C ATOM 855 C LEU A 54 2.935 37.258 3.803 1.00 0.00 C ATOM 856 O LEU A 54 2.244 38.190 4.211 1.00 0.00 O ATOM 857 CB LEU A 54 4.816 36.203 5.047 1.00 0.00 C ATOM 858 CG LEU A 54 5.089 37.473 5.851 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.570 37.300 7.277 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.593 37.738 5.891 1.00 0.00 C ATOM 0 H LEU A 54 3.813 34.196 4.036 1.00 0.00 H new ATOM 0 HA LEU A 54 2.747 36.192 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.134 35.327 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.394 36.213 4.123 1.00 0.00 H new ATOM 0 HG LEU A 54 4.581 38.314 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.766 38.207 7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.497 37.111 7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.076 36.458 7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.788 38.644 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.099 36.895 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.967 37.864 4.875 1.00 0.00 H new ATOM 872 N ASP A 55 3.395 37.188 2.559 1.00 0.00 N ATOM 873 CA ASP A 55 3.103 38.233 1.585 1.00 0.00 C ATOM 874 C ASP A 55 1.598 38.464 1.449 1.00 0.00 C ATOM 875 O ASP A 55 1.143 39.605 1.371 1.00 0.00 O ATOM 876 CB ASP A 55 3.672 37.841 0.220 1.00 0.00 C ATOM 877 CG ASP A 55 5.193 37.759 0.284 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.744 38.123 1.308 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.785 37.332 -0.694 1.00 0.00 O1- ATOM 0 H ASP A 55 3.968 36.423 2.203 1.00 0.00 H new ATOM 0 HA ASP A 55 3.566 39.155 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.262 36.880 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.372 38.572 -0.530 1.00 0.00 H new ATOM 884 N ARG A 56 0.832 37.378 1.403 1.00 0.00 N ATOM 885 CA ARG A 56 -0.617 37.484 1.255 1.00 0.00 C ATOM 886 C ARG A 56 -1.246 38.228 2.431 1.00 0.00 C ATOM 887 O ARG A 56 -2.294 38.857 2.284 1.00 0.00 O ATOM 888 CB ARG A 56 -1.249 36.095 1.137 1.00 0.00 C ATOM 889 CG ARG A 56 -2.685 36.240 0.622 1.00 0.00 C ATOM 890 CD ARG A 56 -3.398 34.888 0.689 1.00 0.00 C ATOM 891 NE ARG A 56 -4.787 35.027 0.258 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.103 35.184 -1.025 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.166 35.220 -1.932 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.355 35.304 -1.374 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.185 36.423 1.465 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.809 38.050 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.667 35.473 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.246 35.597 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.223 36.975 1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.678 36.607 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.884 34.166 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.363 34.500 1.707 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.531 35.003 0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.188 35.128 -1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.412 35.340 -2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.087 35.277 -0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.601 35.425 -2.356 1.00 0.00 H new ATOM 908 N HIS A 57 -0.613 38.147 3.598 1.00 0.00 N ATOM 909 CA HIS A 57 -1.141 38.815 4.787 1.00 0.00 C ATOM 910 C HIS A 57 -0.350 40.088 5.120 1.00 0.00 C ATOM 911 O HIS A 57 -0.444 40.617 6.229 1.00 0.00 O ATOM 912 CB HIS A 57 -1.092 37.854 5.980 1.00 0.00 C ATOM 913 CG HIS A 57 -1.981 36.666 5.719 1.00 0.00 C ATOM 914 ND1 HIS A 57 -1.701 35.335 5.525 1.00 0.00 N flip ATOM 915 CD2 HIS A 57 -3.361 36.778 5.633 1.00 0.00 C flip ATOM 916 CE1 HIS A 57 -2.885 34.632 5.322 1.00 0.00 C flip ATOM 917 NE2 HIS A 57 -3.853 35.548 5.396 1.00 0.00 N flip ATOM 0 H HIS A 57 0.255 37.633 3.747 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.171 39.104 4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.068 37.522 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.414 38.368 6.886 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.767 34.924 5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.936 37.686 5.737 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.997 33.573 5.143 1.00 0.00 H new ATOM 926 N ARG A 58 0.436 40.580 4.170 1.00 0.00 N ATOM 927 CA ARG A 58 1.224 41.784 4.412 1.00 0.00 C ATOM 928 C ARG A 58 0.345 42.992 4.758 1.00 0.00 C ATOM 929 O ARG A 58 0.727 43.838 5.571 1.00 0.00 O ATOM 930 CB ARG A 58 2.096 42.094 3.194 1.00 0.00 C ATOM 931 CG ARG A 58 1.212 42.455 2.004 1.00 0.00 C ATOM 932 CD ARG A 58 2.063 42.485 0.738 1.00 0.00 C ATOM 933 NE ARG A 58 3.229 43.346 0.929 1.00 0.00 N ATOM 934 CZ ARG A 58 3.711 44.085 -0.065 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.131 44.072 -1.234 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.766 44.828 0.128 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.545 40.174 3.241 1.00 0.00 H new ATOM 0 HA ARG A 58 1.861 41.590 5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.772 42.919 3.420 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.716 41.231 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.408 41.727 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.744 43.426 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.386 41.475 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.468 42.848 -0.100 1.00 0.00 H new ATOM 0 HE ARG A 58 3.681 43.380 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.305 43.493 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.504 44.640 -1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.220 44.841 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.137 45.395 -0.634 1.00 0.00 H new ATOM 950 N ASP A 59 -0.828 43.089 4.142 1.00 0.00 N ATOM 951 CA ASP A 59 -1.702 44.228 4.416 1.00 0.00 C ATOM 952 C ASP A 59 -2.009 44.329 5.907 1.00 0.00 C ATOM 953 O ASP A 59 -1.860 45.395 6.506 1.00 0.00 O ATOM 954 CB ASP A 59 -3.018 44.098 3.649 1.00 0.00 C ATOM 955 CG ASP A 59 -2.781 44.275 2.154 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.635 44.205 1.743 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.749 44.491 1.443 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.190 42.415 3.468 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.179 45.127 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.463 43.121 3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.728 44.846 4.002 1.00 0.00 H new ATOM 962 N MET A 60 -2.441 43.224 6.503 1.00 0.00 N ATOM 963 CA MET A 60 -2.768 43.226 7.920 1.00 0.00 C ATOM 964 C MET A 60 -1.541 43.534 8.772 1.00 0.00 C ATOM 965 O MET A 60 -1.661 44.133 9.832 1.00 0.00 O ATOM 966 CB MET A 60 -3.362 41.882 8.339 1.00 0.00 C ATOM 967 CG MET A 60 -2.463 40.747 7.864 1.00 0.00 C ATOM 968 SD MET A 60 -2.960 39.210 8.676 1.00 0.00 S ATOM 969 CE MET A 60 -1.432 38.952 9.611 1.00 0.00 C ATOM 0 H MET A 60 -2.571 42.328 6.034 1.00 0.00 H new ATOM 0 HA MET A 60 -3.508 44.010 8.083 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.469 41.844 9.423 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.360 41.768 7.916 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.535 40.640 6.782 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.422 40.972 8.093 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.442 37.957 10.057 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.576 39.041 8.942 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.356 39.702 10.398 1.00 0.00 H new ATOM 979 N CYS A 61 -0.362 43.130 8.315 1.00 0.00 N ATOM 980 CA CYS A 61 0.854 43.386 9.086 1.00 0.00 C ATOM 981 C CYS A 61 1.116 44.887 9.186 1.00 0.00 C ATOM 982 O CYS A 61 1.753 45.355 10.128 1.00 0.00 O ATOM 983 CB CYS A 61 2.063 42.717 8.432 1.00 0.00 C ATOM 984 SG CYS A 61 2.688 43.777 7.107 1.00 0.00 S ATOM 0 H CYS A 61 -0.220 42.635 7.435 1.00 0.00 H new ATOM 0 HA CYS A 61 0.707 42.971 10.083 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.843 42.544 9.174 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.782 41.743 8.032 1.00 0.00 H new ATOM 0 HG CYS A 61 1.738 44.006 6.250 1.00 0.00 H new ATOM 990 N GLU A 62 0.650 45.630 8.188 1.00 0.00 N ATOM 991 CA GLU A 62 0.872 47.075 8.145 1.00 0.00 C ATOM 992 C GLU A 62 0.115 47.840 9.241 1.00 0.00 C ATOM 993 O GLU A 62 0.475 48.977 9.546 1.00 0.00 O ATOM 994 CB GLU A 62 0.451 47.621 6.780 1.00 0.00 C ATOM 995 CG GLU A 62 0.796 49.109 6.697 1.00 0.00 C ATOM 996 CD GLU A 62 -0.394 49.946 7.153 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.384 49.360 7.562 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.300 51.161 7.085 1.00 0.00 O1- ATOM 0 H GLU A 62 0.118 45.260 7.400 1.00 0.00 H new ATOM 0 HA GLU A 62 1.937 47.229 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.959 47.074 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.619 47.476 6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.663 49.325 7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.065 49.372 5.674 1.00 0.00 H new ATOM 1005 N LYS A 63 -0.935 47.256 9.821 1.00 0.00 N ATOM 1006 CA LYS A 63 -1.684 47.981 10.854 1.00 0.00 C ATOM 1007 C LYS A 63 -0.995 47.899 12.218 1.00 0.00 C ATOM 1008 O LYS A 63 -0.546 48.916 12.746 1.00 0.00 O ATOM 1009 CB LYS A 63 -3.137 47.485 10.973 1.00 0.00 C ATOM 1010 CG LYS A 63 -3.265 46.030 10.529 1.00 0.00 C ATOM 1011 CD LYS A 63 -4.750 45.643 10.521 1.00 0.00 C ATOM 1012 CE LYS A 63 -4.903 44.142 10.783 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.310 43.843 11.176 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.278 46.320 9.606 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.704 49.024 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.474 47.583 12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.788 48.112 10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.836 45.900 9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.709 45.379 11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.286 46.210 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.196 45.900 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.637 43.578 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.220 43.829 11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.412 42.823 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.549 44.370 12.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.952 44.127 10.409 1.00 0.00 H new ATOM 1027 N TRP A 64 -0.929 46.704 12.801 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.303 46.560 14.117 1.00 0.00 C ATOM 1029 C TRP A 64 1.208 46.780 14.040 1.00 0.00 C ATOM 1030 O TRP A 64 1.815 47.292 14.980 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.583 45.175 14.719 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.012 44.207 13.660 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.532 44.160 12.396 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.993 43.135 13.763 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.158 43.129 11.721 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.069 42.472 12.516 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.819 42.679 14.804 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.931 41.394 12.309 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.691 41.596 14.600 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.746 40.956 13.356 1.00 0.00 C ATOM 0 H TRP A 64 -1.291 45.840 12.397 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.741 47.323 14.761 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.313 44.803 15.216 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.360 45.255 15.480 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.217 44.819 11.983 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.967 42.884 10.749 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.784 43.164 15.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.968 40.903 11.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.322 41.255 15.407 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.418 40.124 13.206 1.00 0.00 H new ATOM 1051 N LYS A 65 1.809 46.401 12.917 1.00 0.00 N ATOM 1052 CA LYS A 65 3.247 46.570 12.727 1.00 0.00 C ATOM 1053 C LYS A 65 4.038 46.084 13.943 1.00 0.00 C ATOM 1054 O LYS A 65 5.268 46.119 13.938 1.00 0.00 O ATOM 1055 CB LYS A 65 3.571 48.041 12.454 1.00 0.00 C ATOM 1056 CG LYS A 65 5.033 48.172 12.013 1.00 0.00 C ATOM 1057 CD LYS A 65 5.289 49.585 11.486 1.00 0.00 C ATOM 1058 CE LYS A 65 5.506 50.543 12.658 1.00 0.00 C ATOM 1059 NZ LYS A 65 6.944 50.528 13.053 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.325 45.976 12.126 1.00 0.00 H new ATOM 0 HA LYS A 65 3.541 45.964 11.870 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.911 48.432 11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.397 48.635 13.351 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.696 47.961 12.852 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.256 47.439 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.164 49.588 10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.443 49.918 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.206 51.552 12.377 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.883 50.249 13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.092 51.179 13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.216 49.565 13.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.529 50.829 12.247 1.00 0.00 H new ATOM 1073 N SER A 66 3.343 45.618 14.978 1.00 0.00 N ATOM 1074 CA SER A 66 4.031 45.127 16.165 1.00 0.00 C ATOM 1075 C SER A 66 4.389 43.657 15.981 1.00 0.00 C ATOM 1076 O SER A 66 3.559 42.853 15.556 1.00 0.00 O ATOM 1077 CB SER A 66 3.154 45.307 17.405 1.00 0.00 C ATOM 1078 OG SER A 66 1.833 44.872 17.116 1.00 0.00 O ATOM 0 H SER A 66 2.325 45.571 15.019 1.00 0.00 H new ATOM 0 HA SER A 66 4.946 45.702 16.306 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.562 44.736 18.239 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.146 46.354 17.709 1.00 0.00 H new ATOM 0 HG SER A 66 1.293 44.902 17.933 1.00 0.00 H new ATOM 1084 N LYS A 67 5.638 43.324 16.277 1.00 0.00 N ATOM 1085 CA LYS A 67 6.120 41.959 16.112 1.00 0.00 C ATOM 1086 C LYS A 67 5.398 40.956 17.011 1.00 0.00 C ATOM 1087 O LYS A 67 5.002 39.890 16.550 1.00 0.00 O ATOM 1088 CB LYS A 67 7.620 41.910 16.388 1.00 0.00 C ATOM 1089 CG LYS A 67 8.111 40.471 16.241 1.00 0.00 C ATOM 1090 CD LYS A 67 9.638 40.440 16.335 1.00 0.00 C ATOM 1091 CE LYS A 67 10.134 39.000 16.201 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.349 38.423 17.559 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.335 43.979 16.632 1.00 0.00 H new ATOM 0 HA LYS A 67 5.910 41.669 15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.151 42.561 15.693 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.829 42.277 17.393 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.675 39.846 17.020 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.787 40.061 15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.073 41.059 15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.962 40.859 17.288 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.407 38.403 15.651 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.063 38.975 15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.686 37.443 17.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.058 38.989 18.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.453 38.434 18.087 1.00 0.00 H new ATOM 1106 N GLU A 68 5.252 41.266 18.293 1.00 0.00 N ATOM 1107 CA GLU A 68 4.605 40.324 19.205 1.00 0.00 C ATOM 1108 C GLU A 68 3.149 40.070 18.824 1.00 0.00 C ATOM 1109 O GLU A 68 2.677 38.935 18.882 1.00 0.00 O ATOM 1110 CB GLU A 68 4.655 40.843 20.639 1.00 0.00 C ATOM 1111 CG GLU A 68 4.193 39.731 21.581 1.00 0.00 C ATOM 1112 CD GLU A 68 4.057 40.262 23.002 1.00 0.00 C ATOM 1113 OE1 GLU A 68 4.163 41.464 23.177 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 3.841 39.458 23.894 1.00 0.00 O ATOM 0 H GLU A 68 5.563 42.139 18.720 1.00 0.00 H new ATOM 0 HA GLU A 68 5.154 39.386 19.129 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.668 41.156 20.892 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.015 41.719 20.746 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.237 39.332 21.242 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.907 38.908 21.560 1.00 0.00 H new ATOM 1121 N ASP A 69 2.436 41.123 18.448 1.00 0.00 N ATOM 1122 CA ASP A 69 1.029 40.977 18.083 1.00 0.00 C ATOM 1123 C ASP A 69 0.872 40.085 16.862 1.00 0.00 C ATOM 1124 O ASP A 69 0.093 39.132 16.869 1.00 0.00 O ATOM 1125 CB ASP A 69 0.422 42.348 17.782 1.00 0.00 C ATOM 1126 CG ASP A 69 0.368 43.187 19.054 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.115 42.681 20.053 1.00 0.00 O ATOM 1128 OD2 ASP A 69 0.811 44.322 19.012 1.00 0.00 O1- ATOM 0 H ASP A 69 2.799 42.074 18.387 1.00 0.00 H new ATOM 0 HA ASP A 69 0.510 40.518 18.924 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.016 42.859 17.025 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.581 42.228 17.373 1.00 0.00 H new ATOM 1133 N ILE A 70 1.605 40.409 15.808 1.00 0.00 N ATOM 1134 CA ILE A 70 1.527 39.642 14.575 1.00 0.00 C ATOM 1135 C ILE A 70 1.972 38.199 14.791 1.00 0.00 C ATOM 1136 O ILE A 70 1.322 37.269 14.321 1.00 0.00 O ATOM 1137 CB ILE A 70 2.398 40.300 13.507 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.941 41.749 13.318 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.248 39.541 12.186 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.946 42.497 12.441 1.00 0.00 C ATOM 0 H ILE A 70 2.257 41.193 15.781 1.00 0.00 H new ATOM 0 HA ILE A 70 0.488 39.628 14.246 1.00 0.00 H new ATOM 0 HB ILE A 70 3.443 40.279 13.817 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.954 41.772 12.857 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.852 42.241 14.286 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.870 40.011 11.424 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.562 38.506 12.323 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.205 39.565 11.869 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.617 43.528 12.309 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.925 42.487 12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.013 42.010 11.468 1.00 0.00 H new ATOM 1152 N LEU A 71 3.081 38.011 15.499 1.00 0.00 N ATOM 1153 CA LEU A 71 3.588 36.669 15.749 1.00 0.00 C ATOM 1154 C LEU A 71 2.523 35.826 16.445 1.00 0.00 C ATOM 1155 O LEU A 71 2.350 34.649 16.133 1.00 0.00 O ATOM 1156 CB LEU A 71 4.852 36.730 16.618 1.00 0.00 C ATOM 1157 CG LEU A 71 6.102 37.121 15.796 1.00 0.00 C ATOM 1158 CD1 LEU A 71 6.834 35.855 15.355 1.00 0.00 C ATOM 1159 CD2 LEU A 71 5.736 37.940 14.547 1.00 0.00 C ATOM 0 H LEU A 71 3.639 38.762 15.905 1.00 0.00 H new ATOM 0 HA LEU A 71 3.838 36.209 14.793 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.705 37.453 17.421 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.016 35.760 17.088 1.00 0.00 H new ATOM 0 HG LEU A 71 6.737 37.736 16.434 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.716 36.128 14.775 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.139 35.286 16.233 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.170 35.246 14.741 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.644 38.193 13.999 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.078 37.353 13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.227 38.855 14.848 1.00 0.00 H new ATOM 1171 N HIS A 72 1.809 36.437 17.387 1.00 0.00 N ATOM 1172 CA HIS A 72 0.759 35.730 18.115 1.00 0.00 C ATOM 1173 C HIS A 72 -0.335 35.259 17.160 1.00 0.00 C ATOM 1174 O HIS A 72 -0.778 34.111 17.224 1.00 0.00 O ATOM 1175 CB HIS A 72 0.152 36.651 19.176 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.902 35.908 19.953 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -0.587 35.044 20.991 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -2.270 35.888 19.853 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.743 34.545 21.468 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.799 35.027 20.809 1.00 0.00 N ATOM 0 H HIS A 72 1.936 37.411 17.662 1.00 0.00 H new ATOM 0 HA HIS A 72 1.201 34.858 18.598 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.931 37.007 19.850 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.285 37.530 18.701 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.849 36.455 19.139 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.808 33.841 22.284 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.782 34.811 20.971 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.752 36.147 16.264 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.782 35.797 15.291 1.00 0.00 C ATOM 1191 C LYS A 73 -1.295 34.646 14.418 1.00 0.00 C ATOM 1192 O LYS A 73 -2.007 33.664 14.211 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.136 37.004 14.414 1.00 0.00 C ATOM 1194 CG LYS A 73 -3.137 37.925 15.132 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.847 37.985 16.635 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.476 39.253 17.217 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.637 39.105 18.692 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.399 37.101 16.190 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.678 35.490 15.830 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.231 37.561 14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.562 36.662 13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.084 38.927 14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.152 37.563 14.968 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.251 37.103 17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.771 37.984 16.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.848 40.116 16.995 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.445 39.436 16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.065 39.969 19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.253 38.292 18.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.706 38.951 19.129 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.073 34.773 13.911 1.00 0.00 N ATOM 1212 CA LEU A 74 0.496 33.730 13.066 1.00 0.00 C ATOM 1213 C LEU A 74 0.510 32.388 13.780 1.00 0.00 C ATOM 1214 O LEU A 74 0.138 31.377 13.197 1.00 0.00 O ATOM 1215 CB LEU A 74 1.931 34.079 12.655 1.00 0.00 C ATOM 1216 CG LEU A 74 1.924 35.013 11.446 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.525 36.423 11.870 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.322 35.044 10.827 1.00 0.00 C ATOM 0 H LEU A 74 0.535 35.577 14.068 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.134 33.662 12.179 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.449 34.555 13.488 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.480 33.168 12.416 1.00 0.00 H new ATOM 0 HG LEU A 74 1.202 34.647 10.716 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.524 37.078 10.999 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.528 36.402 12.310 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.238 36.797 12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.323 35.709 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.039 35.406 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.602 34.039 10.511 1.00 0.00 H new ATOM 1230 N ASN A 75 0.953 32.374 15.032 1.00 0.00 N ATOM 1231 CA ASN A 75 1.022 31.123 15.780 1.00 0.00 C ATOM 1232 C ASN A 75 -0.321 30.400 15.793 1.00 0.00 C ATOM 1233 O ASN A 75 -0.382 29.198 15.539 1.00 0.00 O ATOM 1234 CB ASN A 75 1.478 31.389 17.215 1.00 0.00 C ATOM 1235 CG ASN A 75 2.957 31.756 17.233 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.564 32.035 16.111 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.574 31.797 18.296 1.00 0.00 N flip ATOM 0 H ASN A 75 1.265 33.199 15.544 1.00 0.00 H new ATOM 0 HA ASN A 75 1.747 30.481 15.280 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.889 32.197 17.648 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.307 30.505 17.829 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.097 31.579 19.171 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.562 32.049 18.303 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.397 31.126 16.081 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.718 30.504 16.110 1.00 0.00 C ATOM 1246 C GLU A 76 -3.179 30.129 14.705 1.00 0.00 C ATOM 1247 O GLU A 76 -3.780 29.075 14.505 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.733 31.436 16.772 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.688 31.237 18.290 1.00 0.00 C ATOM 1250 CD GLU A 76 -2.324 31.642 18.836 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -1.588 32.287 18.114 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -2.033 31.290 19.968 1.00 0.00 O ATOM 0 H GLU A 76 -1.384 32.124 16.293 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.647 29.589 16.698 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.508 32.473 16.523 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.735 31.228 16.396 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.469 31.831 18.765 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.890 30.194 18.533 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.884 30.980 13.729 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.271 30.689 12.356 1.00 0.00 C ATOM 1261 C GLN A 77 -2.439 29.526 11.831 1.00 0.00 C ATOM 1262 O GLN A 77 -2.950 28.622 11.170 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.061 31.924 11.481 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.026 33.027 11.924 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.783 34.294 11.112 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.728 34.446 10.498 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.704 35.218 11.069 1.00 0.00 N ATOM 0 H GLN A 77 -2.387 31.861 13.859 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.326 30.417 12.327 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.031 32.271 11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.231 31.675 10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.056 32.694 11.793 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.890 33.235 12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.578 35.091 11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.549 36.067 10.526 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.152 29.553 12.152 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.244 28.494 11.736 1.00 0.00 C ATOM 1278 C TRP A 78 -0.784 27.149 12.216 1.00 0.00 C ATOM 1279 O TRP A 78 -0.730 26.151 11.495 1.00 0.00 O ATOM 1280 CB TRP A 78 1.142 28.745 12.338 1.00 0.00 C ATOM 1281 CG TRP A 78 2.202 28.096 11.509 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.284 26.775 11.234 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.345 28.724 10.860 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.407 26.552 10.457 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.094 27.722 10.201 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.800 30.054 10.782 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.257 28.027 9.492 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.970 30.363 10.069 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.698 29.351 9.426 1.00 0.00 C ATOM 0 H TRP A 78 -0.715 30.295 12.698 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.165 28.483 10.649 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.328 29.817 12.401 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.179 28.355 13.355 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.588 26.019 11.566 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.693 25.635 10.115 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.247 30.841 11.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.813 27.244 8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.311 31.386 10.015 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.598 29.595 8.881 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.315 27.136 13.441 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.877 25.916 14.014 1.00 0.00 C ATOM 1302 C ASN A 79 -3.143 25.509 13.267 1.00 0.00 C ATOM 1303 O ASN A 79 -3.338 24.337 12.942 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.218 26.144 15.488 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.979 26.597 16.251 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.137 25.938 16.111 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.030 27.576 16.993 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.366 27.953 14.050 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.137 25.121 13.924 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.003 26.896 15.575 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.607 25.225 15.925 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.905 28.090 17.100 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.198 27.875 17.501 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.999 26.490 12.996 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.247 26.235 12.285 1.00 0.00 C ATOM 1316 C LYS A 80 -4.969 25.671 10.897 1.00 0.00 C ATOM 1317 O LYS A 80 -5.763 24.898 10.361 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.061 27.527 12.184 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.574 27.907 13.575 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.440 29.166 13.485 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.920 29.554 14.887 1.00 0.00 C ATOM 1322 NZ LYS A 80 -7.266 30.824 15.308 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.852 27.465 13.257 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.823 25.496 12.842 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.444 28.329 11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.898 27.391 11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.154 27.085 13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.734 28.080 14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.868 29.983 13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.295 28.987 12.832 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.003 29.673 14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.684 28.760 15.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.237 30.872 16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.297 30.856 14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.807 31.632 14.939 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.835 26.056 10.324 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.459 25.574 9.002 1.00 0.00 C ATOM 1338 C ASP A 81 -3.631 24.059 8.925 1.00 0.00 C ATOM 1339 O ASP A 81 -2.953 23.368 9.667 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.003 25.940 8.709 1.00 0.00 C ATOM 1341 CG ASP A 81 -1.709 25.778 7.222 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.609 26.011 6.431 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -0.589 25.423 6.895 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -4.439 23.613 8.128 1.00 0.00 O ATOM 0 H ASP A 81 -3.165 26.696 10.751 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.106 26.044 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.810 26.968 9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.336 25.303 9.291 1.00 0.00 H new TER 1349 ASP A 81