USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 847 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 23 TYR OH : rot 88:sc= 1.26 USER MOD Set 1.2: A 65 SER OG : rot -141:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 139:sc= -0.105 (180deg=-0.623) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0328 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.15) USER MOD Single : A 7 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.085) USER MOD Single : A 13 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.8!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.14) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00415) USER MOD Single : A 21 SER OG : rot 180:sc= -0.189 USER MOD Single : A 22 THR OG1 : rot 121:sc= -1.54! USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= 0.787 (180deg=-0.107!) USER MOD Single : A 29 MET CE :methyl -121:sc= -1.18 (180deg=-1.68) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= -0.0748 (180deg=-0.367) USER MOD Single : A 45 ASN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.175 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.0119 (180deg=-0.16) USER MOD Single : A 59 ASN : amide:sc= -1.38 K(o=-1.4,f=-10!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.58) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 170:sc=-0.00144 (180deg=-0.126) USER MOD Single : A 74 GLN : amide:sc= -0.341 K(o=-0.34,f=-5.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.58) USER MOD Single : A 77 LYS NZ :NH3+ 168:sc=-0.00134 (180deg=-0.116) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00865) USER MOD Single : A 96 TYR OH : rot 130:sc= 0.91 USER MOD Single : A 97 LYS NZ :NH3+ -134:sc= 1.24 (180deg=0.66) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.462 -8.942 18.697 1.00 0.00 N ATOM 2 CA MET A 1 -9.492 -8.258 17.377 1.00 52.33 C ATOM 3 C MET A 1 -9.774 -9.265 16.252 1.00 31.41 C ATOM 4 O MET A 1 -9.377 -10.426 16.342 1.00 45.15 O ATOM 5 CB MET A 1 -8.155 -7.543 17.132 1.00 15.53 C ATOM 6 CG MET A 1 -8.167 -6.594 15.940 1.00 22.30 C ATOM 7 SD MET A 1 -6.595 -5.733 15.729 1.00 1.53 S ATOM 8 CE MET A 1 -6.995 -4.591 14.408 1.00 44.11 C ATOM 0 H1 MET A 1 -8.695 -8.545 19.276 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.371 -8.800 19.182 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.299 -9.960 18.557 1.00 0.00 H new ATOM 0 HA MET A 1 -10.294 -7.520 17.382 1.00 52.33 H new ATOM 0 HB2 MET A 1 -7.886 -6.982 18.027 1.00 15.53 H new ATOM 0 HB3 MET A 1 -7.377 -8.291 16.979 1.00 15.53 H new ATOM 0 HG2 MET A 1 -8.395 -7.156 15.034 1.00 22.30 H new ATOM 0 HG3 MET A 1 -8.964 -5.862 16.070 1.00 22.30 H new ATOM 0 HE1 MET A 1 -6.543 -3.621 14.616 1.00 44.11 H new ATOM 0 HE2 MET A 1 -6.608 -4.976 13.465 1.00 44.11 H new ATOM 0 HE3 MET A 1 -8.077 -4.480 14.338 1.00 44.11 H new ATOM 20 N ASP A 2 -10.454 -8.824 15.195 1.00 41.30 N ATOM 21 CA ASP A 2 -10.791 -9.711 14.073 1.00 70.01 C ATOM 22 C ASP A 2 -9.531 -10.240 13.364 1.00 24.22 C ATOM 23 O ASP A 2 -8.659 -9.464 12.963 1.00 25.03 O ATOM 24 CB ASP A 2 -11.691 -8.978 13.077 1.00 3.24 C ATOM 25 CG ASP A 2 -13.012 -8.572 13.702 1.00 74.53 C ATOM 26 OD1 ASP A 2 -13.932 -9.414 13.758 1.00 24.24 O ATOM 27 OD2 ASP A 2 -13.127 -7.420 14.165 1.00 42.41 O ATOM 0 H ASP A 2 -10.783 -7.864 15.088 1.00 41.30 H new ATOM 0 HA ASP A 2 -11.325 -10.571 14.478 1.00 70.01 H new ATOM 0 HB2 ASP A 2 -11.176 -8.091 12.707 1.00 3.24 H new ATOM 0 HB3 ASP A 2 -11.879 -9.620 12.216 1.00 3.24 H new ATOM 32 N GLN A 3 -9.457 -11.566 13.198 1.00 40.41 N ATOM 33 CA GLN A 3 -8.290 -12.226 12.591 1.00 21.33 C ATOM 34 C GLN A 3 -7.926 -11.625 11.227 1.00 22.21 C ATOM 35 O GLN A 3 -6.756 -11.372 10.958 1.00 74.24 O ATOM 36 CB GLN A 3 -8.543 -13.735 12.453 1.00 23.41 C ATOM 37 CG GLN A 3 -8.604 -14.474 13.787 1.00 4.21 C ATOM 38 CD GLN A 3 -7.315 -14.349 14.584 1.00 31.21 C ATOM 39 OE1 GLN A 3 -6.406 -15.156 14.442 1.00 54.32 O ATOM 40 NE2 GLN A 3 -7.230 -13.342 15.431 1.00 71.12 N ATOM 0 H GLN A 3 -10.197 -12.210 13.478 1.00 40.41 H new ATOM 0 HA GLN A 3 -7.443 -12.059 13.257 1.00 21.33 H new ATOM 0 HB2 GLN A 3 -9.481 -13.889 11.920 1.00 23.41 H new ATOM 0 HB3 GLN A 3 -7.753 -14.172 11.842 1.00 23.41 H new ATOM 0 HG2 GLN A 3 -9.432 -14.082 14.378 1.00 4.21 H new ATOM 0 HG3 GLN A 3 -8.814 -15.528 13.605 1.00 4.21 H new ATOM 0 HE21 GLN A 3 -8.007 -12.687 15.525 1.00 71.12 H new ATOM 0 HE22 GLN A 3 -6.388 -13.218 15.993 1.00 71.12 H new ATOM 49 N PHE A 4 -8.931 -11.386 10.381 1.00 22.12 N ATOM 50 CA PHE A 4 -8.717 -10.760 9.066 1.00 31.23 C ATOM 51 C PHE A 4 -7.772 -9.546 9.160 1.00 34.31 C ATOM 52 O PHE A 4 -6.772 -9.463 8.442 1.00 22.41 O ATOM 53 CB PHE A 4 -10.063 -10.335 8.454 1.00 1.03 C ATOM 54 CG PHE A 4 -9.924 -9.437 7.246 1.00 3.54 C ATOM 55 CD1 PHE A 4 -9.404 -9.926 6.057 1.00 22.34 C ATOM 56 CD2 PHE A 4 -10.307 -8.105 7.305 1.00 44.54 C ATOM 57 CE1 PHE A 4 -9.265 -9.104 4.955 1.00 74.13 C ATOM 58 CE2 PHE A 4 -10.171 -7.280 6.206 1.00 31.13 C ATOM 59 CZ PHE A 4 -9.649 -7.780 5.029 1.00 34.24 C ATOM 0 H PHE A 4 -9.905 -11.616 10.580 1.00 22.12 H new ATOM 0 HA PHE A 4 -8.245 -11.501 8.421 1.00 31.23 H new ATOM 0 HB2 PHE A 4 -10.621 -11.227 8.170 1.00 1.03 H new ATOM 0 HB3 PHE A 4 -10.651 -9.819 9.213 1.00 1.03 H new ATOM 0 HD1 PHE A 4 -9.104 -10.961 5.992 1.00 22.34 H new ATOM 0 HD2 PHE A 4 -10.717 -7.708 8.222 1.00 44.54 H new ATOM 0 HE1 PHE A 4 -8.856 -9.497 4.036 1.00 74.13 H new ATOM 0 HE2 PHE A 4 -10.473 -6.245 6.267 1.00 31.13 H new ATOM 0 HZ PHE A 4 -9.541 -7.136 4.168 1.00 34.24 H new ATOM 69 N LEU A 5 -8.086 -8.621 10.065 1.00 32.12 N ATOM 70 CA LEU A 5 -7.273 -7.417 10.258 1.00 4.41 C ATOM 71 C LEU A 5 -5.859 -7.773 10.739 1.00 23.13 C ATOM 72 O LEU A 5 -4.869 -7.255 10.224 1.00 54.01 O ATOM 73 CB LEU A 5 -7.951 -6.477 11.260 1.00 25.44 C ATOM 74 CG LEU A 5 -9.349 -5.985 10.851 1.00 71.21 C ATOM 75 CD1 LEU A 5 -9.952 -5.103 11.939 1.00 40.54 C ATOM 76 CD2 LEU A 5 -9.292 -5.237 9.517 1.00 20.13 C ATOM 0 H LEU A 5 -8.899 -8.681 10.678 1.00 32.12 H new ATOM 0 HA LEU A 5 -7.185 -6.911 9.297 1.00 4.41 H new ATOM 0 HB2 LEU A 5 -8.029 -6.989 12.219 1.00 25.44 H new ATOM 0 HB3 LEU A 5 -7.308 -5.610 11.413 1.00 25.44 H new ATOM 0 HG LEU A 5 -9.992 -6.856 10.725 1.00 71.21 H new ATOM 0 HD11 LEU A 5 -10.941 -4.766 11.628 1.00 40.54 H new ATOM 0 HD12 LEU A 5 -10.037 -5.673 12.864 1.00 40.54 H new ATOM 0 HD13 LEU A 5 -9.310 -4.238 12.104 1.00 40.54 H new ATOM 0 HD21 LEU A 5 -10.292 -4.898 9.247 1.00 20.13 H new ATOM 0 HD22 LEU A 5 -8.630 -4.376 9.611 1.00 20.13 H new ATOM 0 HD23 LEU A 5 -8.913 -5.903 8.742 1.00 20.13 H new ATOM 88 N VAL A 6 -5.775 -8.674 11.716 1.00 55.50 N ATOM 89 CA VAL A 6 -4.483 -9.112 12.257 1.00 23.11 C ATOM 90 C VAL A 6 -3.595 -9.741 11.164 1.00 2.42 C ATOM 91 O VAL A 6 -2.383 -9.527 11.130 1.00 14.10 O ATOM 92 CB VAL A 6 -4.680 -10.132 13.409 1.00 14.33 C ATOM 93 CG1 VAL A 6 -3.337 -10.571 13.993 1.00 24.22 C ATOM 94 CG2 VAL A 6 -5.583 -9.550 14.498 1.00 33.11 C ATOM 0 H VAL A 6 -6.584 -9.117 12.151 1.00 55.50 H new ATOM 0 HA VAL A 6 -3.983 -8.224 12.644 1.00 23.11 H new ATOM 0 HB VAL A 6 -5.168 -11.015 12.996 1.00 14.33 H new ATOM 0 HG11 VAL A 6 -3.507 -11.286 14.798 1.00 24.22 H new ATOM 0 HG12 VAL A 6 -2.737 -11.039 13.213 1.00 24.22 H new ATOM 0 HG13 VAL A 6 -2.809 -9.702 14.385 1.00 24.22 H new ATOM 0 HG21 VAL A 6 -5.708 -10.282 15.296 1.00 33.11 H new ATOM 0 HG22 VAL A 6 -5.129 -8.646 14.903 1.00 33.11 H new ATOM 0 HG23 VAL A 6 -6.557 -9.308 14.072 1.00 33.11 H new ATOM 104 N GLN A 7 -4.215 -10.503 10.262 1.00 53.15 N ATOM 105 CA GLN A 7 -3.487 -11.183 9.186 1.00 70.04 C ATOM 106 C GLN A 7 -2.930 -10.186 8.155 1.00 62.00 C ATOM 107 O GLN A 7 -1.736 -10.198 7.850 1.00 23.23 O ATOM 108 CB GLN A 7 -4.396 -12.205 8.483 1.00 71.45 C ATOM 109 CG GLN A 7 -4.945 -13.293 9.402 1.00 62.20 C ATOM 110 CD GLN A 7 -3.858 -14.086 10.107 1.00 51.21 C ATOM 111 OE1 GLN A 7 -3.374 -15.091 9.597 1.00 32.41 O ATOM 112 NE2 GLN A 7 -3.475 -13.650 11.289 1.00 71.13 N ATOM 0 H GLN A 7 -5.222 -10.666 10.254 1.00 53.15 H new ATOM 0 HA GLN A 7 -2.645 -11.702 9.643 1.00 70.04 H new ATOM 0 HB2 GLN A 7 -5.232 -11.676 8.025 1.00 71.45 H new ATOM 0 HB3 GLN A 7 -3.836 -12.676 7.675 1.00 71.45 H new ATOM 0 HG2 GLN A 7 -5.594 -12.835 10.149 1.00 62.20 H new ATOM 0 HG3 GLN A 7 -5.563 -13.975 8.818 1.00 62.20 H new ATOM 0 HE21 GLN A 7 -3.898 -12.810 11.685 1.00 71.13 H new ATOM 0 HE22 GLN A 7 -2.755 -14.152 11.809 1.00 71.13 H new ATOM 121 N ILE A 8 -3.796 -9.319 7.626 1.00 74.51 N ATOM 122 CA ILE A 8 -3.378 -8.347 6.608 1.00 44.41 C ATOM 123 C ILE A 8 -2.318 -7.373 7.152 1.00 3.32 C ATOM 124 O ILE A 8 -1.359 -7.042 6.456 1.00 41.41 O ATOM 125 CB ILE A 8 -4.581 -7.549 6.032 1.00 14.34 C ATOM 126 CG1 ILE A 8 -5.318 -6.778 7.140 1.00 52.34 C ATOM 127 CG2 ILE A 8 -5.541 -8.489 5.298 1.00 60.51 C ATOM 128 CD1 ILE A 8 -6.487 -5.949 6.643 1.00 30.43 C ATOM 0 H ILE A 8 -4.782 -9.268 7.881 1.00 74.51 H new ATOM 0 HA ILE A 8 -2.935 -8.927 5.798 1.00 44.41 H new ATOM 0 HB ILE A 8 -4.194 -6.820 5.320 1.00 14.34 H new ATOM 0 HG12 ILE A 8 -5.680 -7.488 7.883 1.00 52.34 H new ATOM 0 HG13 ILE A 8 -4.609 -6.122 7.645 1.00 52.34 H new ATOM 0 HG21 ILE A 8 -6.378 -7.916 4.900 1.00 60.51 H new ATOM 0 HG22 ILE A 8 -5.015 -8.979 4.479 1.00 60.51 H new ATOM 0 HG23 ILE A 8 -5.914 -9.242 5.992 1.00 60.51 H new ATOM 0 HD11 ILE A 8 -6.953 -5.437 7.484 1.00 30.43 H new ATOM 0 HD12 ILE A 8 -6.131 -5.213 5.922 1.00 30.43 H new ATOM 0 HD13 ILE A 8 -7.218 -6.601 6.165 1.00 30.43 H new ATOM 140 N PHE A 9 -2.477 -6.939 8.405 1.00 4.12 N ATOM 141 CA PHE A 9 -1.497 -6.049 9.038 1.00 32.34 C ATOM 142 C PHE A 9 -0.143 -6.750 9.219 1.00 3.24 C ATOM 143 O PHE A 9 0.905 -6.162 8.954 1.00 15.12 O ATOM 144 CB PHE A 9 -2.015 -5.535 10.392 1.00 42.33 C ATOM 145 CG PHE A 9 -3.256 -4.675 10.295 1.00 51.15 C ATOM 146 CD1 PHE A 9 -3.631 -4.084 9.093 1.00 71.22 C ATOM 147 CD2 PHE A 9 -4.044 -4.453 11.416 1.00 4.25 C ATOM 148 CE1 PHE A 9 -4.764 -3.296 9.015 1.00 43.50 C ATOM 149 CE2 PHE A 9 -5.176 -3.666 11.340 1.00 3.02 C ATOM 150 CZ PHE A 9 -5.536 -3.087 10.140 1.00 61.33 C ATOM 0 H PHE A 9 -3.269 -7.187 8.999 1.00 4.12 H new ATOM 0 HA PHE A 9 -1.353 -5.196 8.375 1.00 32.34 H new ATOM 0 HB2 PHE A 9 -2.228 -6.389 11.035 1.00 42.33 H new ATOM 0 HB3 PHE A 9 -1.225 -4.960 10.876 1.00 42.33 H new ATOM 0 HD1 PHE A 9 -3.030 -4.243 8.210 1.00 71.22 H new ATOM 0 HD2 PHE A 9 -3.768 -4.901 12.359 1.00 4.25 H new ATOM 0 HE1 PHE A 9 -5.045 -2.844 8.075 1.00 43.50 H new ATOM 0 HE2 PHE A 9 -5.780 -3.503 12.220 1.00 3.02 H new ATOM 0 HZ PHE A 9 -6.421 -2.471 10.081 1.00 61.33 H new ATOM 160 N ALA A 10 -0.171 -8.008 9.660 1.00 41.31 N ATOM 161 CA ALA A 10 1.052 -8.805 9.808 1.00 50.12 C ATOM 162 C ALA A 10 1.846 -8.858 8.492 1.00 3.12 C ATOM 163 O ALA A 10 3.074 -8.753 8.484 1.00 11.32 O ATOM 164 CB ALA A 10 0.709 -10.213 10.280 1.00 3.22 C ATOM 0 H ALA A 10 -1.026 -8.499 9.921 1.00 41.31 H new ATOM 0 HA ALA A 10 1.680 -8.324 10.558 1.00 50.12 H new ATOM 0 HB1 ALA A 10 1.625 -10.794 10.386 1.00 3.22 H new ATOM 0 HB2 ALA A 10 0.199 -10.160 11.242 1.00 3.22 H new ATOM 0 HB3 ALA A 10 0.057 -10.693 9.550 1.00 3.22 H new ATOM 170 N VAL A 11 1.130 -9.016 7.380 1.00 34.34 N ATOM 171 CA VAL A 11 1.747 -8.993 6.050 1.00 70.53 C ATOM 172 C VAL A 11 2.358 -7.613 5.743 1.00 42.43 C ATOM 173 O VAL A 11 3.477 -7.516 5.236 1.00 4.41 O ATOM 174 CB VAL A 11 0.722 -9.358 4.943 1.00 41.31 C ATOM 175 CG1 VAL A 11 1.374 -9.333 3.560 1.00 4.45 C ATOM 176 CG2 VAL A 11 0.094 -10.723 5.219 1.00 12.41 C ATOM 0 H VAL A 11 0.120 -9.162 7.371 1.00 34.34 H new ATOM 0 HA VAL A 11 2.540 -9.741 6.056 1.00 70.53 H new ATOM 0 HB VAL A 11 -0.068 -8.607 4.955 1.00 41.31 H new ATOM 0 HG11 VAL A 11 0.633 -9.592 2.804 1.00 4.45 H new ATOM 0 HG12 VAL A 11 1.763 -8.335 3.359 1.00 4.45 H new ATOM 0 HG13 VAL A 11 2.191 -10.054 3.530 1.00 4.45 H new ATOM 0 HG21 VAL A 11 -0.621 -10.960 4.432 1.00 12.41 H new ATOM 0 HG22 VAL A 11 0.874 -11.484 5.242 1.00 12.41 H new ATOM 0 HG23 VAL A 11 -0.419 -10.700 6.180 1.00 12.41 H new ATOM 186 N ILE A 12 1.617 -6.551 6.069 1.00 5.51 N ATOM 187 CA ILE A 12 2.079 -5.173 5.840 1.00 43.24 C ATOM 188 C ILE A 12 3.330 -4.840 6.682 1.00 60.45 C ATOM 189 O ILE A 12 4.225 -4.122 6.229 1.00 30.45 O ATOM 190 CB ILE A 12 0.953 -4.149 6.144 1.00 24.43 C ATOM 191 CG1 ILE A 12 -0.265 -4.417 5.246 1.00 2.13 C ATOM 192 CG2 ILE A 12 1.454 -2.715 5.956 1.00 3.13 C ATOM 193 CD1 ILE A 12 -1.465 -3.548 5.558 1.00 42.50 C ATOM 0 H ILE A 12 0.692 -6.616 6.494 1.00 5.51 H new ATOM 0 HA ILE A 12 2.349 -5.101 4.786 1.00 43.24 H new ATOM 0 HB ILE A 12 0.653 -4.267 7.185 1.00 24.43 H new ATOM 0 HG12 ILE A 12 0.022 -4.262 4.206 1.00 2.13 H new ATOM 0 HG13 ILE A 12 -0.552 -5.464 5.344 1.00 2.13 H new ATOM 0 HG21 ILE A 12 0.647 -2.016 6.175 1.00 3.13 H new ATOM 0 HG22 ILE A 12 2.288 -2.529 6.633 1.00 3.13 H new ATOM 0 HG23 ILE A 12 1.784 -2.577 4.926 1.00 3.13 H new ATOM 0 HD11 ILE A 12 -2.282 -3.799 4.881 1.00 42.50 H new ATOM 0 HD12 ILE A 12 -1.781 -3.720 6.587 1.00 42.50 H new ATOM 0 HD13 ILE A 12 -1.197 -2.499 5.431 1.00 42.50 H new ATOM 205 N HIS A 13 3.395 -5.372 7.903 1.00 32.14 N ATOM 206 CA HIS A 13 4.580 -5.203 8.759 1.00 45.20 C ATOM 207 C HIS A 13 5.825 -5.870 8.151 1.00 45.24 C ATOM 208 O HIS A 13 6.957 -5.519 8.488 1.00 2.11 O ATOM 209 CB HIS A 13 4.324 -5.771 10.165 1.00 52.42 C ATOM 210 CG HIS A 13 3.551 -4.850 11.063 1.00 4.12 C ATOM 211 ND1 HIS A 13 4.174 -3.822 11.730 1.00 51.24 N ATOM 212 CD2 HIS A 13 2.233 -4.838 11.368 1.00 44.00 C ATOM 213 CE1 HIS A 13 3.230 -3.209 12.418 1.00 2.13 C ATOM 214 NE2 HIS A 13 2.037 -3.789 12.232 1.00 35.33 N ATOM 0 H HIS A 13 2.647 -5.922 8.324 1.00 32.14 H new ATOM 0 HA HIS A 13 4.769 -4.132 8.832 1.00 45.20 H new ATOM 0 HB2 HIS A 13 3.781 -6.712 10.073 1.00 52.42 H new ATOM 0 HB3 HIS A 13 5.281 -6.000 10.633 1.00 52.42 H new ATOM 0 HD2 HIS A 13 1.481 -5.521 11.003 1.00 44.00 H new ATOM 0 HE1 HIS A 13 3.398 -2.350 13.050 1.00 2.13 H new ATOM 0 HE2 HIS A 13 1.152 -3.505 12.652 1.00 35.33 H new ATOM 222 N GLN A 14 5.612 -6.832 7.255 1.00 60.40 N ATOM 223 CA GLN A 14 6.718 -7.568 6.632 1.00 12.15 C ATOM 224 C GLN A 14 7.088 -7.008 5.244 1.00 72.33 C ATOM 225 O GLN A 14 7.899 -7.603 4.529 1.00 33.13 O ATOM 226 CB GLN A 14 6.365 -9.060 6.528 1.00 70.55 C ATOM 227 CG GLN A 14 6.133 -9.728 7.884 1.00 12.41 C ATOM 228 CD GLN A 14 5.858 -11.222 7.785 1.00 43.42 C ATOM 229 OE1 GLN A 14 5.234 -11.652 6.704 1.00 61.13 O flip ATOM 230 NE2 GLN A 14 6.196 -11.990 8.682 1.00 44.54 N flip ATOM 0 H GLN A 14 4.685 -7.122 6.942 1.00 60.40 H new ATOM 0 HA GLN A 14 7.592 -7.443 7.271 1.00 12.15 H new ATOM 0 HB2 GLN A 14 5.468 -9.171 5.919 1.00 70.55 H new ATOM 0 HB3 GLN A 14 7.170 -9.580 6.009 1.00 70.55 H new ATOM 0 HG2 GLN A 14 7.009 -9.569 8.513 1.00 12.41 H new ATOM 0 HG3 GLN A 14 5.292 -9.244 8.380 1.00 12.41 H new ATOM 0 HE21 GLN A 14 6.677 -11.631 9.507 1.00 44.54 H new ATOM 0 HE22 GLN A 14 5.996 -12.987 8.602 1.00 44.54 H new ATOM 239 N ILE A 15 6.511 -5.863 4.865 1.00 0.42 N ATOM 240 CA ILE A 15 6.871 -5.211 3.595 1.00 23.21 C ATOM 241 C ILE A 15 8.300 -4.636 3.664 1.00 25.40 C ATOM 242 O ILE A 15 8.613 -3.852 4.562 1.00 70.33 O ATOM 243 CB ILE A 15 5.896 -4.060 3.222 1.00 61.41 C ATOM 244 CG1 ILE A 15 4.437 -4.548 3.198 1.00 73.15 C ATOM 245 CG2 ILE A 15 6.276 -3.464 1.866 1.00 71.42 C ATOM 246 CD1 ILE A 15 4.145 -5.594 2.139 1.00 72.52 C ATOM 0 H ILE A 15 5.802 -5.371 5.409 1.00 0.42 H new ATOM 0 HA ILE A 15 6.808 -5.982 2.828 1.00 23.21 H new ATOM 0 HB ILE A 15 5.980 -3.288 3.987 1.00 61.41 H new ATOM 0 HG12 ILE A 15 4.188 -4.959 4.176 1.00 73.15 H new ATOM 0 HG13 ILE A 15 3.783 -3.692 3.036 1.00 73.15 H new ATOM 0 HG21 ILE A 15 5.585 -2.659 1.616 1.00 71.42 H new ATOM 0 HG22 ILE A 15 7.291 -3.070 1.913 1.00 71.42 H new ATOM 0 HG23 ILE A 15 6.223 -4.238 1.101 1.00 71.42 H new ATOM 0 HD11 ILE A 15 3.095 -5.882 2.192 1.00 72.52 H new ATOM 0 HD12 ILE A 15 4.359 -5.183 1.153 1.00 72.52 H new ATOM 0 HD13 ILE A 15 4.771 -6.470 2.311 1.00 72.52 H new ATOM 258 N PRO A 16 9.189 -5.026 2.729 1.00 13.31 N ATOM 259 CA PRO A 16 10.567 -4.506 2.682 1.00 60.15 C ATOM 260 C PRO A 16 10.632 -2.982 2.463 1.00 32.12 C ATOM 261 O PRO A 16 9.819 -2.408 1.735 1.00 74.51 O ATOM 262 CB PRO A 16 11.194 -5.254 1.490 1.00 62.11 C ATOM 263 CG PRO A 16 10.326 -6.448 1.287 1.00 71.34 C ATOM 264 CD PRO A 16 8.939 -6.010 1.664 1.00 3.11 C ATOM 0 HA PRO A 16 11.086 -4.667 3.627 1.00 60.15 H new ATOM 0 HB2 PRO A 16 11.218 -4.627 0.599 1.00 62.11 H new ATOM 0 HB3 PRO A 16 12.223 -5.545 1.703 1.00 62.11 H new ATOM 0 HG2 PRO A 16 10.362 -6.787 0.252 1.00 71.34 H new ATOM 0 HG3 PRO A 16 10.656 -7.282 1.907 1.00 71.34 H new ATOM 0 HD2 PRO A 16 8.411 -5.567 0.820 1.00 3.11 H new ATOM 0 HD3 PRO A 16 8.333 -6.844 2.017 1.00 3.11 H new ATOM 272 N LYS A 17 11.611 -2.339 3.099 1.00 45.43 N ATOM 273 CA LYS A 17 11.815 -0.888 2.983 1.00 2.54 C ATOM 274 C LYS A 17 11.966 -0.448 1.514 1.00 73.50 C ATOM 275 O LYS A 17 12.955 -0.782 0.855 1.00 34.21 O ATOM 276 CB LYS A 17 13.068 -0.484 3.782 1.00 60.12 C ATOM 277 CG LYS A 17 13.287 1.025 3.895 1.00 5.13 C ATOM 278 CD LYS A 17 12.198 1.691 4.727 1.00 10.12 C ATOM 279 CE LYS A 17 12.427 3.189 4.877 1.00 25.24 C ATOM 280 NZ LYS A 17 11.381 3.829 5.721 1.00 35.04 N ATOM 0 H LYS A 17 12.285 -2.804 3.708 1.00 45.43 H new ATOM 0 HA LYS A 17 10.935 -0.388 3.388 1.00 2.54 H new ATOM 0 HB2 LYS A 17 12.995 -0.904 4.785 1.00 60.12 H new ATOM 0 HB3 LYS A 17 13.944 -0.932 3.312 1.00 60.12 H new ATOM 0 HG2 LYS A 17 14.260 1.219 4.347 1.00 5.13 H new ATOM 0 HG3 LYS A 17 13.305 1.466 2.898 1.00 5.13 H new ATOM 0 HD2 LYS A 17 11.229 1.518 4.260 1.00 10.12 H new ATOM 0 HD3 LYS A 17 12.163 1.229 5.714 1.00 10.12 H new ATOM 0 HE2 LYS A 17 13.408 3.364 5.320 1.00 25.24 H new ATOM 0 HE3 LYS A 17 12.434 3.656 3.892 1.00 25.24 H new ATOM 0 HZ1 LYS A 17 11.628 4.826 5.883 1.00 35.04 H new ATOM 0 HZ2 LYS A 17 10.462 3.773 5.237 1.00 35.04 H new ATOM 0 HZ3 LYS A 17 11.321 3.335 6.634 1.00 35.04 H new ATOM 294 N GLY A 18 10.981 0.289 1.001 1.00 63.35 N ATOM 295 CA GLY A 18 11.044 0.779 -0.375 1.00 53.12 C ATOM 296 C GLY A 18 10.305 -0.106 -1.378 1.00 12.34 C ATOM 297 O GLY A 18 10.444 0.072 -2.590 1.00 71.32 O ATOM 0 H GLY A 18 10.139 0.557 1.511 1.00 63.35 H new ATOM 0 HA2 GLY A 18 10.624 1.784 -0.413 1.00 53.12 H new ATOM 0 HA3 GLY A 18 12.089 0.859 -0.675 1.00 53.12 H new ATOM 301 N LYS A 19 9.538 -1.076 -0.886 1.00 5.53 N ATOM 302 CA LYS A 19 8.714 -1.935 -1.749 1.00 42.52 C ATOM 303 C LYS A 19 7.216 -1.665 -1.539 1.00 64.44 C ATOM 304 O LYS A 19 6.793 -1.252 -0.459 1.00 23.51 O ATOM 305 CB LYS A 19 9.027 -3.419 -1.490 1.00 1.34 C ATOM 306 CG LYS A 19 10.351 -3.889 -2.093 1.00 60.31 C ATOM 307 CD LYS A 19 10.355 -3.742 -3.614 1.00 51.33 C ATOM 308 CE LYS A 19 11.573 -4.396 -4.258 1.00 52.11 C ATOM 309 NZ LYS A 19 12.849 -3.769 -3.823 1.00 41.35 N ATOM 0 H LYS A 19 9.466 -1.291 0.108 1.00 5.53 H new ATOM 0 HA LYS A 19 8.959 -1.698 -2.784 1.00 42.52 H new ATOM 0 HB2 LYS A 19 9.047 -3.593 -0.414 1.00 1.34 H new ATOM 0 HB3 LYS A 19 8.218 -4.027 -1.896 1.00 1.34 H new ATOM 0 HG2 LYS A 19 11.172 -3.311 -1.668 1.00 60.31 H new ATOM 0 HG3 LYS A 19 10.524 -4.932 -1.826 1.00 60.31 H new ATOM 0 HD2 LYS A 19 9.448 -4.188 -4.022 1.00 51.33 H new ATOM 0 HD3 LYS A 19 10.334 -2.684 -3.874 1.00 51.33 H new ATOM 0 HE2 LYS A 19 11.588 -5.456 -4.007 1.00 52.11 H new ATOM 0 HE3 LYS A 19 11.488 -4.327 -5.343 1.00 52.11 H new ATOM 0 HZ1 LYS A 19 13.645 -4.225 -4.313 1.00 41.35 H new ATOM 0 HZ2 LYS A 19 12.835 -2.755 -4.055 1.00 41.35 H new ATOM 0 HZ3 LYS A 19 12.961 -3.887 -2.796 1.00 41.35 H new ATOM 323 N VAL A 20 6.415 -1.908 -2.578 1.00 31.14 N ATOM 324 CA VAL A 20 4.970 -1.636 -2.521 1.00 45.15 C ATOM 325 C VAL A 20 4.133 -2.881 -2.865 1.00 20.13 C ATOM 326 O VAL A 20 4.646 -3.873 -3.391 1.00 21.32 O ATOM 327 CB VAL A 20 4.564 -0.482 -3.479 1.00 65.55 C ATOM 328 CG1 VAL A 20 5.311 0.808 -3.139 1.00 11.11 C ATOM 329 CG2 VAL A 20 4.790 -0.873 -4.940 1.00 5.31 C ATOM 0 H VAL A 20 6.737 -2.291 -3.467 1.00 31.14 H new ATOM 0 HA VAL A 20 4.763 -1.342 -1.492 1.00 45.15 H new ATOM 0 HB VAL A 20 3.499 -0.298 -3.341 1.00 65.55 H new ATOM 0 HG11 VAL A 20 5.006 1.597 -3.826 1.00 11.11 H new ATOM 0 HG12 VAL A 20 5.076 1.106 -2.117 1.00 11.11 H new ATOM 0 HG13 VAL A 20 6.384 0.642 -3.231 1.00 11.11 H new ATOM 0 HG21 VAL A 20 4.497 -0.046 -5.587 1.00 5.31 H new ATOM 0 HG22 VAL A 20 5.844 -1.101 -5.097 1.00 5.31 H new ATOM 0 HG23 VAL A 20 4.190 -1.751 -5.179 1.00 5.31 H new ATOM 339 N SER A 21 2.841 -2.811 -2.562 1.00 52.53 N ATOM 340 CA SER A 21 1.892 -3.886 -2.888 1.00 53.22 C ATOM 341 C SER A 21 0.477 -3.317 -3.068 1.00 10.53 C ATOM 342 O SER A 21 0.272 -2.108 -2.963 1.00 73.43 O ATOM 343 CB SER A 21 1.895 -4.958 -1.787 1.00 50.23 C ATOM 344 OG SER A 21 1.023 -6.034 -2.106 1.00 22.12 O ATOM 0 H SER A 21 2.417 -2.015 -2.086 1.00 52.53 H new ATOM 0 HA SER A 21 2.205 -4.347 -3.825 1.00 53.22 H new ATOM 0 HB2 SER A 21 2.908 -5.337 -1.650 1.00 50.23 H new ATOM 0 HB3 SER A 21 1.591 -4.510 -0.841 1.00 50.23 H new ATOM 0 HG SER A 21 1.049 -6.700 -1.387 1.00 22.12 H new ATOM 350 N THR A 22 -0.497 -4.183 -3.340 1.00 3.43 N ATOM 351 CA THR A 22 -1.888 -3.741 -3.545 1.00 42.01 C ATOM 352 C THR A 22 -2.828 -4.335 -2.492 1.00 55.33 C ATOM 353 O THR A 22 -2.566 -5.409 -1.947 1.00 22.34 O ATOM 354 CB THR A 22 -2.427 -4.134 -4.941 1.00 21.13 C ATOM 355 OG1 THR A 22 -2.586 -5.558 -5.029 1.00 23.41 O ATOM 356 CG2 THR A 22 -1.495 -3.656 -6.051 1.00 53.31 C ATOM 0 H THR A 22 -0.357 -5.190 -3.425 1.00 3.43 H new ATOM 0 HA THR A 22 -1.867 -2.655 -3.458 1.00 42.01 H new ATOM 0 HB THR A 22 -3.395 -3.649 -5.071 1.00 21.13 H new ATOM 0 HG1 THR A 22 -3.522 -5.771 -5.226 1.00 23.41 H new ATOM 0 HG21 THR A 22 -1.902 -3.948 -7.019 1.00 53.31 H new ATOM 0 HG22 THR A 22 -1.405 -2.571 -6.008 1.00 53.31 H new ATOM 0 HG23 THR A 22 -0.512 -4.108 -5.920 1.00 53.31 H new ATOM 364 N TYR A 23 -3.936 -3.638 -2.219 1.00 55.34 N ATOM 365 CA TYR A 23 -4.936 -4.116 -1.248 1.00 61.34 C ATOM 366 C TYR A 23 -5.412 -5.536 -1.592 1.00 1.22 C ATOM 367 O TYR A 23 -5.672 -6.355 -0.706 1.00 21.33 O ATOM 368 CB TYR A 23 -6.142 -3.164 -1.202 1.00 34.44 C ATOM 369 CG TYR A 23 -5.769 -1.725 -0.902 1.00 62.31 C ATOM 370 CD1 TYR A 23 -5.419 -1.331 0.386 1.00 52.55 C ATOM 371 CD2 TYR A 23 -5.754 -0.765 -1.907 1.00 43.12 C ATOM 372 CE1 TYR A 23 -5.066 -0.023 0.660 1.00 30.14 C ATOM 373 CE2 TYR A 23 -5.398 0.542 -1.640 1.00 1.24 C ATOM 374 CZ TYR A 23 -5.055 0.908 -0.356 1.00 12.44 C ATOM 375 OH TYR A 23 -4.693 2.206 -0.090 1.00 73.14 O ATOM 0 H TYR A 23 -4.166 -2.744 -2.653 1.00 55.34 H new ATOM 0 HA TYR A 23 -4.459 -4.139 -0.268 1.00 61.34 H new ATOM 0 HB2 TYR A 23 -6.662 -3.204 -2.159 1.00 34.44 H new ATOM 0 HB3 TYR A 23 -6.842 -3.515 -0.444 1.00 34.44 H new ATOM 0 HD1 TYR A 23 -5.423 -2.059 1.184 1.00 52.55 H new ATOM 0 HD2 TYR A 23 -6.025 -1.046 -2.914 1.00 43.12 H new ATOM 0 HE1 TYR A 23 -4.800 0.268 1.665 1.00 30.14 H new ATOM 0 HE2 TYR A 23 -5.388 1.274 -2.434 1.00 1.24 H new ATOM 0 HH TYR A 23 -3.720 2.297 -0.169 1.00 73.14 H new ATOM 385 N GLY A 24 -5.516 -5.815 -2.889 1.00 53.03 N ATOM 386 CA GLY A 24 -5.901 -7.140 -3.348 1.00 35.44 C ATOM 387 C GLY A 24 -4.887 -8.217 -2.976 1.00 43.13 C ATOM 388 O GLY A 24 -5.235 -9.215 -2.342 1.00 51.45 O ATOM 0 H GLY A 24 -5.339 -5.142 -3.635 1.00 53.03 H new ATOM 0 HA2 GLY A 24 -6.870 -7.399 -2.922 1.00 35.44 H new ATOM 0 HA3 GLY A 24 -6.023 -7.122 -4.431 1.00 35.44 H new ATOM 392 N GLU A 25 -3.622 -8.005 -3.350 1.00 74.03 N ATOM 393 CA GLU A 25 -2.565 -8.992 -3.091 1.00 63.24 C ATOM 394 C GLU A 25 -2.334 -9.202 -1.585 1.00 1.52 C ATOM 395 O GLU A 25 -2.054 -10.319 -1.144 1.00 45.12 O ATOM 396 CB GLU A 25 -1.252 -8.575 -3.773 1.00 72.41 C ATOM 397 CG GLU A 25 -1.365 -8.402 -5.289 1.00 61.54 C ATOM 398 CD GLU A 25 -1.968 -9.614 -5.991 1.00 71.15 C ATOM 399 OE1 GLU A 25 -1.406 -10.722 -5.869 1.00 62.34 O ATOM 400 OE2 GLU A 25 -3.001 -9.461 -6.679 1.00 72.42 O ATOM 0 H GLU A 25 -3.304 -7.164 -3.831 1.00 74.03 H new ATOM 0 HA GLU A 25 -2.900 -9.940 -3.513 1.00 63.24 H new ATOM 0 HB2 GLU A 25 -0.909 -7.637 -3.335 1.00 72.41 H new ATOM 0 HB3 GLU A 25 -0.490 -9.324 -3.559 1.00 72.41 H new ATOM 0 HG2 GLU A 25 -1.976 -7.525 -5.503 1.00 61.54 H new ATOM 0 HG3 GLU A 25 -0.374 -8.208 -5.700 1.00 61.54 H new ATOM 407 N ILE A 26 -2.447 -8.130 -0.800 1.00 11.50 N ATOM 408 CA ILE A 26 -2.312 -8.222 0.662 1.00 62.41 C ATOM 409 C ILE A 26 -3.343 -9.198 1.251 1.00 13.44 C ATOM 410 O ILE A 26 -2.991 -10.125 1.985 1.00 60.52 O ATOM 411 CB ILE A 26 -2.467 -6.833 1.342 1.00 62.42 C ATOM 412 CG1 ILE A 26 -1.339 -5.883 0.901 1.00 30.14 C ATOM 413 CG2 ILE A 26 -2.492 -6.968 2.866 1.00 24.33 C ATOM 414 CD1 ILE A 26 0.051 -6.340 1.307 1.00 10.43 C ATOM 0 H ILE A 26 -2.631 -7.189 -1.147 1.00 11.50 H new ATOM 0 HA ILE A 26 -1.308 -8.596 0.864 1.00 62.41 H new ATOM 0 HB ILE A 26 -3.419 -6.408 1.025 1.00 62.42 H new ATOM 0 HG12 ILE A 26 -1.372 -5.776 -0.183 1.00 30.14 H new ATOM 0 HG13 ILE A 26 -1.523 -4.896 1.325 1.00 30.14 H new ATOM 0 HG21 ILE A 26 -2.601 -5.982 3.317 1.00 24.33 H new ATOM 0 HG22 ILE A 26 -3.331 -7.597 3.162 1.00 24.33 H new ATOM 0 HG23 ILE A 26 -1.561 -7.421 3.206 1.00 24.33 H new ATOM 0 HD11 ILE A 26 0.788 -5.616 0.959 1.00 10.43 H new ATOM 0 HD12 ILE A 26 0.105 -6.419 2.393 1.00 10.43 H new ATOM 0 HD13 ILE A 26 0.259 -7.313 0.861 1.00 10.43 H new ATOM 426 N ALA A 27 -4.613 -8.993 0.909 1.00 14.24 N ATOM 427 CA ALA A 27 -5.692 -9.882 1.355 1.00 44.23 C ATOM 428 C ALA A 27 -5.469 -11.322 0.861 1.00 41.44 C ATOM 429 O ALA A 27 -5.663 -12.287 1.605 1.00 1.12 O ATOM 430 CB ALA A 27 -7.039 -9.354 0.874 1.00 32.10 C ATOM 0 H ALA A 27 -4.924 -8.218 0.323 1.00 14.24 H new ATOM 0 HA ALA A 27 -5.688 -9.901 2.445 1.00 44.23 H new ATOM 0 HB1 ALA A 27 -7.833 -10.021 1.210 1.00 32.10 H new ATOM 0 HB2 ALA A 27 -7.206 -8.357 1.282 1.00 32.10 H new ATOM 0 HB3 ALA A 27 -7.043 -9.306 -0.215 1.00 32.10 H new ATOM 436 N LYS A 28 -5.050 -11.457 -0.398 1.00 24.23 N ATOM 437 CA LYS A 28 -4.748 -12.767 -0.990 1.00 23.24 C ATOM 438 C LYS A 28 -3.664 -13.518 -0.196 1.00 32.11 C ATOM 439 O LYS A 28 -3.808 -14.708 0.096 1.00 71.02 O ATOM 440 CB LYS A 28 -4.304 -12.593 -2.450 1.00 75.32 C ATOM 441 CG LYS A 28 -5.414 -12.096 -3.375 1.00 25.33 C ATOM 442 CD LYS A 28 -4.874 -11.687 -4.743 1.00 72.42 C ATOM 443 CE LYS A 28 -4.121 -12.824 -5.426 1.00 40.25 C ATOM 444 NZ LYS A 28 -3.561 -12.407 -6.739 1.00 5.24 N ATOM 0 H LYS A 28 -4.910 -10.671 -1.033 1.00 24.23 H new ATOM 0 HA LYS A 28 -5.659 -13.365 -0.953 1.00 23.24 H new ATOM 0 HB2 LYS A 28 -3.472 -11.890 -2.486 1.00 75.32 H new ATOM 0 HB3 LYS A 28 -3.932 -13.547 -2.823 1.00 75.32 H new ATOM 0 HG2 LYS A 28 -6.161 -12.880 -3.499 1.00 25.33 H new ATOM 0 HG3 LYS A 28 -5.917 -11.246 -2.914 1.00 25.33 H new ATOM 0 HD2 LYS A 28 -5.700 -11.367 -5.378 1.00 72.42 H new ATOM 0 HD3 LYS A 28 -4.210 -10.830 -4.629 1.00 72.42 H new ATOM 0 HE2 LYS A 28 -3.313 -13.165 -4.779 1.00 40.25 H new ATOM 0 HE3 LYS A 28 -4.793 -13.670 -5.570 1.00 40.25 H new ATOM 0 HZ1 LYS A 28 -3.394 -13.248 -7.328 1.00 5.24 H new ATOM 0 HZ2 LYS A 28 -4.234 -11.776 -7.219 1.00 5.24 H new ATOM 0 HZ3 LYS A 28 -2.662 -11.905 -6.590 1.00 5.24 H new ATOM 458 N MET A 29 -2.586 -12.817 0.156 1.00 61.22 N ATOM 459 CA MET A 29 -1.489 -13.413 0.935 1.00 63.33 C ATOM 460 C MET A 29 -1.902 -13.651 2.399 1.00 21.13 C ATOM 461 O MET A 29 -1.367 -14.534 3.071 1.00 23.41 O ATOM 462 CB MET A 29 -0.240 -12.521 0.867 1.00 12.21 C ATOM 463 CG MET A 29 0.353 -12.410 -0.536 1.00 51.41 C ATOM 464 SD MET A 29 1.836 -11.382 -0.603 1.00 62.41 S ATOM 465 CE MET A 29 1.176 -9.787 -0.125 1.00 11.34 C ATOM 0 H MET A 29 -2.445 -11.836 -0.084 1.00 61.22 H new ATOM 0 HA MET A 29 -1.255 -14.382 0.495 1.00 63.33 H new ATOM 0 HB2 MET A 29 -0.495 -11.524 1.225 1.00 12.21 H new ATOM 0 HB3 MET A 29 0.518 -12.918 1.543 1.00 12.21 H new ATOM 0 HG2 MET A 29 0.594 -13.408 -0.901 1.00 51.41 H new ATOM 0 HG3 MET A 29 -0.398 -11.997 -1.209 1.00 51.41 H new ATOM 0 HE1 MET A 29 1.357 -9.065 -0.921 1.00 11.34 H new ATOM 0 HE2 MET A 29 0.103 -9.874 0.048 1.00 11.34 H new ATOM 0 HE3 MET A 29 1.665 -9.450 0.789 1.00 11.34 H new ATOM 475 N ALA A 30 -2.856 -12.857 2.886 1.00 21.11 N ATOM 476 CA ALA A 30 -3.412 -13.044 4.232 1.00 52.31 C ATOM 477 C ALA A 30 -4.370 -14.249 4.280 1.00 54.42 C ATOM 478 O ALA A 30 -4.637 -14.804 5.349 1.00 53.33 O ATOM 479 CB ALA A 30 -4.130 -11.776 4.685 1.00 64.22 C ATOM 0 H ALA A 30 -3.262 -12.077 2.370 1.00 21.11 H new ATOM 0 HA ALA A 30 -2.586 -13.248 4.913 1.00 52.31 H new ATOM 0 HB1 ALA A 30 -4.538 -11.926 5.684 1.00 64.22 H new ATOM 0 HB2 ALA A 30 -3.425 -10.945 4.702 1.00 64.22 H new ATOM 0 HB3 ALA A 30 -4.941 -11.550 3.992 1.00 64.22 H new ATOM 485 N GLY A 31 -4.884 -14.642 3.113 1.00 1.43 N ATOM 486 CA GLY A 31 -5.772 -15.799 3.024 1.00 64.13 C ATOM 487 C GLY A 31 -7.251 -15.431 2.911 1.00 32.30 C ATOM 488 O GLY A 31 -8.122 -16.291 3.052 1.00 65.13 O ATOM 0 H GLY A 31 -4.701 -14.179 2.223 1.00 1.43 H new ATOM 0 HA2 GLY A 31 -5.489 -16.398 2.158 1.00 64.13 H new ATOM 0 HA3 GLY A 31 -5.629 -16.425 3.905 1.00 64.13 H new ATOM 492 N TYR A 32 -7.541 -14.160 2.643 1.00 52.45 N ATOM 493 CA TYR A 32 -8.926 -13.682 2.541 1.00 41.25 C ATOM 494 C TYR A 32 -9.199 -13.021 1.173 1.00 32.54 C ATOM 495 O TYR A 32 -9.039 -11.810 1.015 1.00 41.51 O ATOM 496 CB TYR A 32 -9.228 -12.683 3.668 1.00 2.41 C ATOM 497 CG TYR A 32 -9.054 -13.245 5.069 1.00 60.53 C ATOM 498 CD1 TYR A 32 -7.800 -13.280 5.674 1.00 35.03 C ATOM 499 CD2 TYR A 32 -10.143 -13.722 5.796 1.00 40.22 C ATOM 500 CE1 TYR A 32 -7.637 -13.772 6.954 1.00 12.30 C ATOM 501 CE2 TYR A 32 -9.985 -14.219 7.077 1.00 70.13 C ATOM 502 CZ TYR A 32 -8.731 -14.240 7.651 1.00 54.20 C ATOM 503 OH TYR A 32 -8.571 -14.722 8.931 1.00 4.14 O ATOM 0 H TYR A 32 -6.837 -13.438 2.492 1.00 52.45 H new ATOM 0 HA TYR A 32 -9.581 -14.548 2.636 1.00 41.25 H new ATOM 0 HB2 TYR A 32 -8.576 -11.817 3.554 1.00 2.41 H new ATOM 0 HB3 TYR A 32 -10.252 -12.328 3.557 1.00 2.41 H new ATOM 0 HD1 TYR A 32 -6.940 -12.916 5.132 1.00 35.03 H new ATOM 0 HD2 TYR A 32 -11.127 -13.703 5.352 1.00 40.22 H new ATOM 0 HE1 TYR A 32 -6.657 -13.790 7.407 1.00 12.30 H new ATOM 0 HE2 TYR A 32 -10.839 -14.589 7.625 1.00 70.13 H new ATOM 0 HH TYR A 32 -9.439 -15.012 9.282 1.00 4.14 H new ATOM 513 N PRO A 33 -9.610 -13.811 0.162 1.00 42.01 N ATOM 514 CA PRO A 33 -9.909 -13.284 -1.181 1.00 71.13 C ATOM 515 C PRO A 33 -11.247 -12.517 -1.244 1.00 74.15 C ATOM 516 O PRO A 33 -12.243 -12.928 -0.643 1.00 15.34 O ATOM 517 CB PRO A 33 -9.968 -14.551 -2.043 1.00 32.24 C ATOM 518 CG PRO A 33 -10.408 -15.624 -1.102 1.00 45.33 C ATOM 519 CD PRO A 33 -9.812 -15.274 0.239 1.00 11.34 C ATOM 0 HA PRO A 33 -9.166 -12.557 -1.508 1.00 71.13 H new ATOM 0 HB2 PRO A 33 -10.669 -14.436 -2.870 1.00 32.24 H new ATOM 0 HB3 PRO A 33 -8.996 -14.780 -2.479 1.00 32.24 H new ATOM 0 HG2 PRO A 33 -11.496 -15.671 -1.045 1.00 45.33 H new ATOM 0 HG3 PRO A 33 -10.064 -16.602 -1.438 1.00 45.33 H new ATOM 0 HD2 PRO A 33 -10.480 -15.543 1.057 1.00 11.34 H new ATOM 0 HD3 PRO A 33 -8.872 -15.800 0.409 1.00 11.34 H new ATOM 527 N GLY A 34 -11.262 -11.399 -1.972 1.00 72.43 N ATOM 528 CA GLY A 34 -12.485 -10.608 -2.122 1.00 10.23 C ATOM 529 C GLY A 34 -12.663 -9.524 -1.053 1.00 11.42 C ATOM 530 O GLY A 34 -13.474 -8.612 -1.218 1.00 23.24 O ATOM 0 H GLY A 34 -10.450 -11.024 -2.462 1.00 72.43 H new ATOM 0 HA2 GLY A 34 -12.482 -10.137 -3.105 1.00 10.23 H new ATOM 0 HA3 GLY A 34 -13.344 -11.278 -2.092 1.00 10.23 H new ATOM 534 N TYR A 35 -11.905 -9.614 0.040 1.00 41.51 N ATOM 535 CA TYR A 35 -12.020 -8.653 1.151 1.00 45.05 C ATOM 536 C TYR A 35 -11.033 -7.476 1.007 1.00 23.31 C ATOM 537 O TYR A 35 -10.806 -6.726 1.959 1.00 13.35 O ATOM 538 CB TYR A 35 -11.789 -9.374 2.486 1.00 61.22 C ATOM 539 CG TYR A 35 -12.803 -10.472 2.771 1.00 54.41 C ATOM 540 CD1 TYR A 35 -14.016 -10.185 3.392 1.00 23.33 C ATOM 541 CD2 TYR A 35 -12.546 -11.795 2.416 1.00 42.44 C ATOM 542 CE1 TYR A 35 -14.938 -11.184 3.653 1.00 71.24 C ATOM 543 CE2 TYR A 35 -13.463 -12.795 2.674 1.00 4.24 C ATOM 544 CZ TYR A 35 -14.657 -12.486 3.293 1.00 4.41 C ATOM 545 OH TYR A 35 -15.574 -13.484 3.551 1.00 64.41 O ATOM 0 H TYR A 35 -11.203 -10.340 0.185 1.00 41.51 H new ATOM 0 HA TYR A 35 -13.027 -8.237 1.125 1.00 45.05 H new ATOM 0 HB2 TYR A 35 -10.788 -9.806 2.487 1.00 61.22 H new ATOM 0 HB3 TYR A 35 -11.821 -8.643 3.294 1.00 61.22 H new ATOM 0 HD1 TYR A 35 -14.241 -9.167 3.674 1.00 23.33 H new ATOM 0 HD2 TYR A 35 -11.613 -12.043 1.931 1.00 42.44 H new ATOM 0 HE1 TYR A 35 -15.874 -10.945 4.137 1.00 71.24 H new ATOM 0 HE2 TYR A 35 -13.246 -13.815 2.392 1.00 4.24 H new ATOM 0 HH TYR A 35 -15.222 -14.342 3.234 1.00 64.41 H new ATOM 555 N ALA A 36 -10.481 -7.297 -0.195 1.00 62.34 N ATOM 556 CA ALA A 36 -9.509 -6.224 -0.467 1.00 31.33 C ATOM 557 C ALA A 36 -10.053 -4.837 -0.076 1.00 24.51 C ATOM 558 O ALA A 36 -9.326 -4.002 0.470 1.00 73.22 O ATOM 559 CB ALA A 36 -9.116 -6.242 -1.941 1.00 75.43 C ATOM 0 H ALA A 36 -10.689 -7.883 -1.003 1.00 62.34 H new ATOM 0 HA ALA A 36 -8.629 -6.411 0.148 1.00 31.33 H new ATOM 0 HB1 ALA A 36 -8.397 -5.446 -2.136 1.00 75.43 H new ATOM 0 HB2 ALA A 36 -8.667 -7.205 -2.186 1.00 75.43 H new ATOM 0 HB3 ALA A 36 -10.003 -6.088 -2.556 1.00 75.43 H new ATOM 565 N ARG A 37 -11.335 -4.605 -0.356 1.00 4.12 N ATOM 566 CA ARG A 37 -12.000 -3.341 -0.004 1.00 3.12 C ATOM 567 C ARG A 37 -11.841 -3.011 1.490 1.00 22.23 C ATOM 568 O ARG A 37 -11.658 -1.849 1.865 1.00 1.13 O ATOM 569 CB ARG A 37 -13.493 -3.410 -0.368 1.00 33.42 C ATOM 570 CG ARG A 37 -14.238 -4.558 0.308 1.00 51.15 C ATOM 571 CD ARG A 37 -15.720 -4.572 -0.055 1.00 11.54 C ATOM 572 NE ARG A 37 -16.414 -3.368 0.388 1.00 33.24 N ATOM 573 CZ ARG A 37 -17.702 -3.184 0.270 1.00 74.01 C ATOM 574 NH1 ARG A 37 -18.464 -4.110 -0.226 1.00 15.24 N ATOM 575 NH2 ARG A 37 -18.229 -2.070 0.660 1.00 61.44 N ATOM 0 H ARG A 37 -11.940 -5.277 -0.828 1.00 4.12 H new ATOM 0 HA ARG A 37 -11.521 -2.546 -0.575 1.00 3.12 H new ATOM 0 HB2 ARG A 37 -13.969 -2.468 -0.093 1.00 33.42 H new ATOM 0 HB3 ARG A 37 -13.590 -3.512 -1.449 1.00 33.42 H new ATOM 0 HG2 ARG A 37 -13.785 -5.505 0.017 1.00 51.15 H new ATOM 0 HG3 ARG A 37 -14.131 -4.473 1.389 1.00 51.15 H new ATOM 0 HD2 ARG A 37 -15.825 -4.672 -1.135 1.00 11.54 H new ATOM 0 HD3 ARG A 37 -16.193 -5.446 0.393 1.00 11.54 H new ATOM 0 HE ARG A 37 -15.861 -2.625 0.815 1.00 33.24 H new ATOM 0 HH11 ARG A 37 -18.059 -4.995 -0.530 1.00 15.24 H new ATOM 0 HH12 ARG A 37 -19.468 -3.952 -0.312 1.00 15.24 H new ATOM 0 HH21 ARG A 37 -17.640 -1.339 1.058 1.00 61.44 H new ATOM 0 HH22 ARG A 37 -19.234 -1.922 0.570 1.00 61.44 H new ATOM 589 N HIS A 38 -11.888 -4.045 2.336 1.00 72.23 N ATOM 590 CA HIS A 38 -11.790 -3.866 3.787 1.00 60.34 C ATOM 591 C HIS A 38 -10.354 -3.535 4.220 1.00 52.32 C ATOM 592 O HIS A 38 -10.141 -2.868 5.233 1.00 2.24 O ATOM 593 CB HIS A 38 -12.292 -5.114 4.516 1.00 71.11 C ATOM 594 CG HIS A 38 -13.714 -5.446 4.196 1.00 22.14 C ATOM 595 ND1 HIS A 38 -14.751 -4.667 4.648 1.00 23.20 N ATOM 596 CD2 HIS A 38 -14.216 -6.466 3.461 1.00 14.01 C ATOM 597 CE1 HIS A 38 -15.851 -5.226 4.177 1.00 32.13 C ATOM 598 NE2 HIS A 38 -15.576 -6.316 3.454 1.00 75.15 N ATOM 0 H HIS A 38 -11.993 -5.015 2.040 1.00 72.23 H new ATOM 0 HA HIS A 38 -12.422 -3.020 4.058 1.00 60.34 H new ATOM 0 HB2 HIS A 38 -11.659 -5.961 4.252 1.00 71.11 H new ATOM 0 HB3 HIS A 38 -12.193 -4.964 5.591 1.00 71.11 H new ATOM 0 HD2 HIS A 38 -13.652 -7.248 2.974 1.00 14.01 H new ATOM 0 HE1 HIS A 38 -16.848 -4.850 4.354 1.00 32.13 H new ATOM 0 HE2 HIS A 38 -16.251 -6.921 2.986 1.00 75.15 H new ATOM 606 N VAL A 39 -9.372 -3.997 3.448 1.00 22.14 N ATOM 607 CA VAL A 39 -7.975 -3.630 3.690 1.00 34.01 C ATOM 608 C VAL A 39 -7.805 -2.108 3.561 1.00 54.51 C ATOM 609 O VAL A 39 -7.231 -1.457 4.435 1.00 65.04 O ATOM 610 CB VAL A 39 -7.010 -4.350 2.710 1.00 44.13 C ATOM 611 CG1 VAL A 39 -5.553 -4.013 3.030 1.00 41.34 C ATOM 612 CG2 VAL A 39 -7.239 -5.862 2.742 1.00 1.33 C ATOM 0 H VAL A 39 -9.514 -4.622 2.655 1.00 22.14 H new ATOM 0 HA VAL A 39 -7.720 -3.947 4.701 1.00 34.01 H new ATOM 0 HB VAL A 39 -7.222 -3.994 1.702 1.00 44.13 H new ATOM 0 HG11 VAL A 39 -4.898 -4.530 2.329 1.00 41.34 H new ATOM 0 HG12 VAL A 39 -5.401 -2.937 2.943 1.00 41.34 H new ATOM 0 HG13 VAL A 39 -5.321 -4.331 4.046 1.00 41.34 H new ATOM 0 HG21 VAL A 39 -6.553 -6.349 2.048 1.00 1.33 H new ATOM 0 HG22 VAL A 39 -7.061 -6.236 3.750 1.00 1.33 H new ATOM 0 HG23 VAL A 39 -8.266 -6.081 2.450 1.00 1.33 H new ATOM 622 N GLY A 40 -8.330 -1.548 2.469 1.00 71.34 N ATOM 623 CA GLY A 40 -8.336 -0.098 2.291 1.00 45.12 C ATOM 624 C GLY A 40 -9.194 0.621 3.332 1.00 54.42 C ATOM 625 O GLY A 40 -8.885 1.740 3.742 1.00 22.45 O ATOM 0 H GLY A 40 -8.752 -2.072 1.703 1.00 71.34 H new ATOM 0 HA2 GLY A 40 -7.313 0.275 2.349 1.00 45.12 H new ATOM 0 HA3 GLY A 40 -8.706 0.140 1.294 1.00 45.12 H new ATOM 629 N LYS A 41 -10.278 -0.030 3.750 1.00 64.15 N ATOM 630 CA LYS A 41 -11.144 0.481 4.821 1.00 44.32 C ATOM 631 C LYS A 41 -10.354 0.688 6.128 1.00 31.34 C ATOM 632 O LYS A 41 -10.472 1.725 6.784 1.00 3.53 O ATOM 633 CB LYS A 41 -12.298 -0.509 5.055 1.00 64.42 C ATOM 634 CG LYS A 41 -13.146 -0.222 6.290 1.00 11.05 C ATOM 635 CD LYS A 41 -13.994 1.035 6.140 1.00 74.41 C ATOM 636 CE LYS A 41 -14.816 1.299 7.397 1.00 32.12 C ATOM 637 NZ LYS A 41 -15.637 0.119 7.787 1.00 2.02 N ATOM 0 H LYS A 41 -10.583 -0.922 3.361 1.00 64.15 H new ATOM 0 HA LYS A 41 -11.541 1.449 4.515 1.00 44.32 H new ATOM 0 HB2 LYS A 41 -12.945 -0.505 4.178 1.00 64.42 H new ATOM 0 HB3 LYS A 41 -11.884 -1.514 5.141 1.00 64.42 H new ATOM 0 HG2 LYS A 41 -13.797 -1.074 6.485 1.00 11.05 H new ATOM 0 HG3 LYS A 41 -12.494 -0.115 7.157 1.00 11.05 H new ATOM 0 HD2 LYS A 41 -13.349 1.890 5.938 1.00 74.41 H new ATOM 0 HD3 LYS A 41 -14.659 0.928 5.283 1.00 74.41 H new ATOM 0 HE2 LYS A 41 -14.149 1.563 8.217 1.00 32.12 H new ATOM 0 HE3 LYS A 41 -15.469 2.155 7.229 1.00 32.12 H new ATOM 0 HZ1 LYS A 41 -16.337 0.404 8.502 1.00 2.02 H new ATOM 0 HZ2 LYS A 41 -16.129 -0.253 6.950 1.00 2.02 H new ATOM 0 HZ3 LYS A 41 -15.019 -0.618 8.182 1.00 2.02 H new ATOM 651 N ALA A 42 -9.556 -0.313 6.497 1.00 41.23 N ATOM 652 CA ALA A 42 -8.732 -0.251 7.708 1.00 24.43 C ATOM 653 C ALA A 42 -7.585 0.762 7.569 1.00 40.25 C ATOM 654 O ALA A 42 -7.431 1.663 8.396 1.00 30.41 O ATOM 655 CB ALA A 42 -8.181 -1.636 8.030 1.00 0.42 C ATOM 0 H ALA A 42 -9.461 -1.183 5.972 1.00 41.23 H new ATOM 0 HA ALA A 42 -9.366 0.087 8.527 1.00 24.43 H new ATOM 0 HB1 ALA A 42 -7.569 -1.584 8.931 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -9.008 -2.328 8.192 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -7.572 -1.988 7.198 1.00 0.42 H new ATOM 661 N LEU A 43 -6.785 0.610 6.513 1.00 1.24 N ATOM 662 CA LEU A 43 -5.626 1.485 6.285 1.00 2.12 C ATOM 663 C LEU A 43 -6.045 2.953 6.091 1.00 54.23 C ATOM 664 O LEU A 43 -5.377 3.870 6.570 1.00 33.31 O ATOM 665 CB LEU A 43 -4.828 0.996 5.067 1.00 41.02 C ATOM 666 CG LEU A 43 -4.325 -0.457 5.151 1.00 2.53 C ATOM 667 CD1 LEU A 43 -3.466 -0.803 3.939 1.00 64.12 C ATOM 668 CD2 LEU A 43 -3.555 -0.694 6.450 1.00 35.40 C ATOM 0 H LEU A 43 -6.915 -0.109 5.801 1.00 1.24 H new ATOM 0 HA LEU A 43 -4.996 1.438 7.174 1.00 2.12 H new ATOM 0 HB2 LEU A 43 -5.453 1.096 4.180 1.00 41.02 H new ATOM 0 HB3 LEU A 43 -3.969 1.653 4.928 1.00 41.02 H new ATOM 0 HG LEU A 43 -5.193 -1.116 5.150 1.00 2.53 H new ATOM 0 HD11 LEU A 43 -3.122 -1.834 4.020 1.00 64.12 H new ATOM 0 HD12 LEU A 43 -4.056 -0.687 3.030 1.00 64.12 H new ATOM 0 HD13 LEU A 43 -2.606 -0.135 3.900 1.00 64.12 H new ATOM 0 HD21 LEU A 43 -3.210 -1.727 6.485 1.00 35.40 H new ATOM 0 HD22 LEU A 43 -2.697 -0.024 6.492 1.00 35.40 H new ATOM 0 HD23 LEU A 43 -4.208 -0.500 7.301 1.00 35.40 H new ATOM 680 N GLY A 44 -7.171 3.164 5.410 1.00 34.44 N ATOM 681 CA GLY A 44 -7.671 4.517 5.167 1.00 72.31 C ATOM 682 C GLY A 44 -8.204 5.210 6.423 1.00 53.32 C ATOM 683 O GLY A 44 -8.639 6.362 6.368 1.00 4.43 O ATOM 0 H GLY A 44 -7.751 2.421 5.019 1.00 34.44 H new ATOM 0 HA2 GLY A 44 -6.869 5.121 4.742 1.00 72.31 H new ATOM 0 HA3 GLY A 44 -8.465 4.473 4.422 1.00 72.31 H new ATOM 687 N ASN A 45 -8.192 4.501 7.551 1.00 23.51 N ATOM 688 CA ASN A 45 -8.594 5.077 8.840 1.00 42.23 C ATOM 689 C ASN A 45 -7.361 5.525 9.646 1.00 52.14 C ATOM 690 O ASN A 45 -7.450 6.389 10.521 1.00 21.02 O ATOM 691 CB ASN A 45 -9.398 4.045 9.644 1.00 1.02 C ATOM 692 CG ASN A 45 -10.004 4.624 10.910 1.00 5.51 C ATOM 693 OD1 ASN A 45 -11.131 5.106 10.912 1.00 13.12 O ATOM 694 ND2 ASN A 45 -9.261 4.582 12.000 1.00 54.51 N ATOM 0 H ASN A 45 -7.908 3.523 7.601 1.00 23.51 H new ATOM 0 HA ASN A 45 -9.217 5.951 8.649 1.00 42.23 H new ATOM 0 HB2 ASN A 45 -10.194 3.644 9.017 1.00 1.02 H new ATOM 0 HB3 ASN A 45 -8.748 3.211 9.907 1.00 1.02 H new ATOM 0 HD21 ASN A 45 -9.621 4.957 12.877 1.00 54.51 H new ATOM 0 HD22 ASN A 45 -8.327 4.174 11.965 1.00 54.51 H new ATOM 701 N LEU A 46 -6.210 4.935 9.330 1.00 51.12 N ATOM 702 CA LEU A 46 -4.970 5.179 10.073 1.00 33.20 C ATOM 703 C LEU A 46 -4.404 6.591 9.822 1.00 11.21 C ATOM 704 O LEU A 46 -4.666 7.209 8.787 1.00 2.42 O ATOM 705 CB LEU A 46 -3.920 4.128 9.680 1.00 52.01 C ATOM 706 CG LEU A 46 -4.321 2.667 9.937 1.00 63.01 C ATOM 707 CD1 LEU A 46 -3.267 1.714 9.384 1.00 74.13 C ATOM 708 CD2 LEU A 46 -4.545 2.414 11.428 1.00 54.15 C ATOM 0 H LEU A 46 -6.108 4.278 8.557 1.00 51.12 H new ATOM 0 HA LEU A 46 -5.205 5.104 11.135 1.00 33.20 H new ATOM 0 HB2 LEU A 46 -3.694 4.244 8.620 1.00 52.01 H new ATOM 0 HB3 LEU A 46 -3.000 4.336 10.227 1.00 52.01 H new ATOM 0 HG LEU A 46 -5.261 2.480 9.418 1.00 63.01 H new ATOM 0 HD11 LEU A 46 -3.570 0.685 9.576 1.00 74.13 H new ATOM 0 HD12 LEU A 46 -3.165 1.868 8.310 1.00 74.13 H new ATOM 0 HD13 LEU A 46 -2.311 1.907 9.870 1.00 74.13 H new ATOM 0 HD21 LEU A 46 -4.828 1.373 11.582 1.00 54.15 H new ATOM 0 HD22 LEU A 46 -3.626 2.625 11.975 1.00 54.15 H new ATOM 0 HD23 LEU A 46 -5.341 3.064 11.792 1.00 54.15 H new ATOM 720 N PRO A 47 -3.638 7.133 10.790 1.00 61.24 N ATOM 721 CA PRO A 47 -2.909 8.393 10.607 1.00 22.13 C ATOM 722 C PRO A 47 -1.571 8.188 9.871 1.00 74.44 C ATOM 723 O PRO A 47 -1.026 7.082 9.848 1.00 23.14 O ATOM 724 CB PRO A 47 -2.675 8.853 12.050 1.00 74.23 C ATOM 725 CG PRO A 47 -2.541 7.583 12.825 1.00 25.31 C ATOM 726 CD PRO A 47 -3.440 6.576 12.146 1.00 41.32 C ATOM 0 HA PRO A 47 -3.454 9.112 9.995 1.00 22.13 H new ATOM 0 HB2 PRO A 47 -1.777 9.465 12.132 1.00 74.23 H new ATOM 0 HB3 PRO A 47 -3.506 9.456 12.415 1.00 74.23 H new ATOM 0 HG2 PRO A 47 -1.507 7.239 12.832 1.00 25.31 H new ATOM 0 HG3 PRO A 47 -2.835 7.729 13.864 1.00 25.31 H new ATOM 0 HD2 PRO A 47 -2.978 5.589 12.109 1.00 41.32 H new ATOM 0 HD3 PRO A 47 -4.387 6.465 12.675 1.00 41.32 H new ATOM 734 N GLU A 48 -1.040 9.256 9.276 1.00 33.51 N ATOM 735 CA GLU A 48 0.225 9.172 8.530 1.00 15.13 C ATOM 736 C GLU A 48 1.419 8.860 9.455 1.00 45.42 C ATOM 737 O GLU A 48 2.429 8.306 9.019 1.00 20.14 O ATOM 738 CB GLU A 48 0.460 10.477 7.750 1.00 75.11 C ATOM 739 CG GLU A 48 0.511 11.726 8.624 1.00 10.32 C ATOM 740 CD GLU A 48 0.463 13.013 7.811 1.00 72.01 C ATOM 741 OE1 GLU A 48 1.509 13.425 7.267 1.00 43.12 O ATOM 742 OE2 GLU A 48 -0.628 13.614 7.708 1.00 42.24 O ATOM 0 H GLU A 48 -1.459 10.186 9.293 1.00 33.51 H new ATOM 0 HA GLU A 48 0.146 8.345 7.824 1.00 15.13 H new ATOM 0 HB2 GLU A 48 1.397 10.394 7.199 1.00 75.11 H new ATOM 0 HB3 GLU A 48 -0.334 10.595 7.013 1.00 75.11 H new ATOM 0 HG2 GLU A 48 -0.326 11.711 9.322 1.00 10.32 H new ATOM 0 HG3 GLU A 48 1.424 11.711 9.220 1.00 10.32 H new ATOM 749 N GLY A 49 1.289 9.213 10.733 1.00 65.23 N ATOM 750 CA GLY A 49 2.313 8.885 11.722 1.00 21.13 C ATOM 751 C GLY A 49 1.921 7.686 12.586 1.00 44.13 C ATOM 752 O GLY A 49 1.476 7.845 13.725 1.00 75.41 O ATOM 0 H GLY A 49 0.489 9.724 11.106 1.00 65.23 H new ATOM 0 HA2 GLY A 49 3.252 8.671 11.212 1.00 21.13 H new ATOM 0 HA3 GLY A 49 2.487 9.750 12.362 1.00 21.13 H new ATOM 756 N SER A 50 2.075 6.483 12.035 1.00 15.54 N ATOM 757 CA SER A 50 1.688 5.242 12.733 1.00 50.21 C ATOM 758 C SER A 50 2.841 4.227 12.763 1.00 24.54 C ATOM 759 O SER A 50 3.867 4.411 12.103 1.00 32.21 O ATOM 760 CB SER A 50 0.464 4.615 12.045 1.00 2.00 C ATOM 761 OG SER A 50 0.038 3.431 12.707 1.00 61.43 O ATOM 0 H SER A 50 2.466 6.334 11.105 1.00 15.54 H new ATOM 0 HA SER A 50 1.440 5.502 13.762 1.00 50.21 H new ATOM 0 HB2 SER A 50 -0.353 5.336 12.028 1.00 2.00 H new ATOM 0 HB3 SER A 50 0.708 4.385 11.008 1.00 2.00 H new ATOM 0 HG SER A 50 -0.742 3.060 12.244 1.00 61.43 H new ATOM 767 N LYS A 51 2.674 3.157 13.539 1.00 61.31 N ATOM 768 CA LYS A 51 3.669 2.080 13.593 1.00 23.22 C ATOM 769 C LYS A 51 3.436 1.077 12.455 1.00 30.52 C ATOM 770 O LYS A 51 4.322 0.300 12.100 1.00 23.21 O ATOM 771 CB LYS A 51 3.632 1.359 14.953 1.00 41.20 C ATOM 772 CG LYS A 51 4.148 2.197 16.128 1.00 32.03 C ATOM 773 CD LYS A 51 3.226 3.372 16.457 1.00 31.54 C ATOM 774 CE LYS A 51 3.779 4.225 17.591 1.00 14.35 C ATOM 775 NZ LYS A 51 3.975 3.445 18.841 1.00 62.24 N ATOM 0 H LYS A 51 1.862 3.010 14.139 1.00 61.31 H new ATOM 0 HA LYS A 51 4.655 2.528 13.472 1.00 23.22 H new ATOM 0 HB2 LYS A 51 2.606 1.056 15.162 1.00 41.20 H new ATOM 0 HB3 LYS A 51 4.226 0.448 14.884 1.00 41.20 H new ATOM 0 HG2 LYS A 51 4.249 1.561 17.007 1.00 32.03 H new ATOM 0 HG3 LYS A 51 5.143 2.575 15.892 1.00 32.03 H new ATOM 0 HD2 LYS A 51 3.094 3.990 15.569 1.00 31.54 H new ATOM 0 HD3 LYS A 51 2.241 2.995 16.733 1.00 31.54 H new ATOM 0 HE2 LYS A 51 4.730 4.660 17.284 1.00 14.35 H new ATOM 0 HE3 LYS A 51 3.097 5.053 17.785 1.00 14.35 H new ATOM 0 HZ1 LYS A 51 4.189 4.094 19.625 1.00 62.24 H new ATOM 0 HZ2 LYS A 51 3.108 2.913 19.058 1.00 62.24 H new ATOM 0 HZ3 LYS A 51 4.766 2.781 18.716 1.00 62.24 H new ATOM 789 N LEU A 52 2.233 1.101 11.897 1.00 43.31 N ATOM 790 CA LEU A 52 1.886 0.278 10.738 1.00 41.35 C ATOM 791 C LEU A 52 2.001 1.096 9.439 1.00 20.22 C ATOM 792 O LEU A 52 1.213 2.018 9.209 1.00 44.31 O ATOM 793 CB LEU A 52 0.454 -0.255 10.900 1.00 34.14 C ATOM 794 CG LEU A 52 -0.097 -1.075 9.719 1.00 63.04 C ATOM 795 CD1 LEU A 52 0.718 -2.346 9.503 1.00 20.30 C ATOM 796 CD2 LEU A 52 -1.570 -1.410 9.935 1.00 42.54 C ATOM 0 H LEU A 52 1.469 1.689 12.231 1.00 43.31 H new ATOM 0 HA LEU A 52 2.581 -0.559 10.678 1.00 41.35 H new ATOM 0 HB2 LEU A 52 0.417 -0.875 11.796 1.00 34.14 H new ATOM 0 HB3 LEU A 52 -0.211 0.592 11.071 1.00 34.14 H new ATOM 0 HG LEU A 52 -0.011 -0.465 8.820 1.00 63.04 H new ATOM 0 HD11 LEU A 52 0.305 -2.904 8.663 1.00 20.30 H new ATOM 0 HD12 LEU A 52 1.754 -2.082 9.290 1.00 20.30 H new ATOM 0 HD13 LEU A 52 0.678 -2.961 10.402 1.00 20.30 H new ATOM 0 HD21 LEU A 52 -1.939 -1.990 9.089 1.00 42.54 H new ATOM 0 HD22 LEU A 52 -1.680 -1.993 10.850 1.00 42.54 H new ATOM 0 HD23 LEU A 52 -2.144 -0.487 10.021 1.00 42.54 H new ATOM 808 N PRO A 53 2.984 0.786 8.569 1.00 74.04 N ATOM 809 CA PRO A 53 3.156 1.523 7.312 1.00 63.44 C ATOM 810 C PRO A 53 2.108 1.130 6.255 1.00 64.45 C ATOM 811 O PRO A 53 2.287 0.173 5.504 1.00 1.14 O ATOM 812 CB PRO A 53 4.569 1.122 6.871 1.00 63.52 C ATOM 813 CG PRO A 53 4.764 -0.249 7.437 1.00 75.20 C ATOM 814 CD PRO A 53 3.987 -0.287 8.733 1.00 43.12 C ATOM 0 HA PRO A 53 3.026 2.598 7.436 1.00 63.44 H new ATOM 0 HB2 PRO A 53 4.660 1.119 5.785 1.00 63.52 H new ATOM 0 HB3 PRO A 53 5.316 1.818 7.252 1.00 63.52 H new ATOM 0 HG2 PRO A 53 4.404 -1.010 6.745 1.00 75.20 H new ATOM 0 HG3 PRO A 53 5.821 -0.451 7.611 1.00 75.20 H new ATOM 0 HD2 PRO A 53 3.515 -1.257 8.889 1.00 43.12 H new ATOM 0 HD3 PRO A 53 4.632 -0.105 9.593 1.00 43.12 H new ATOM 822 N TRP A 54 1.026 1.900 6.187 1.00 11.10 N ATOM 823 CA TRP A 54 -0.079 1.620 5.260 1.00 12.41 C ATOM 824 C TRP A 54 0.168 2.221 3.869 1.00 74.02 C ATOM 825 O TRP A 54 -0.373 1.748 2.869 1.00 22.12 O ATOM 826 CB TRP A 54 -1.400 2.146 5.844 1.00 65.24 C ATOM 827 CG TRP A 54 -1.349 3.583 6.282 1.00 52.12 C ATOM 828 CD1 TRP A 54 -1.025 4.050 7.526 1.00 33.35 C ATOM 829 CD2 TRP A 54 -1.639 4.739 5.484 1.00 64.43 C ATOM 830 NE1 TRP A 54 -1.091 5.419 7.546 1.00 31.34 N ATOM 831 CE2 TRP A 54 -1.466 5.868 6.308 1.00 41.42 C ATOM 832 CE3 TRP A 54 -2.027 4.930 4.153 1.00 30.44 C ATOM 833 CZ2 TRP A 54 -1.670 7.164 5.847 1.00 34.04 C ATOM 834 CZ3 TRP A 54 -2.226 6.218 3.695 1.00 35.31 C ATOM 835 CH2 TRP A 54 -2.047 7.321 4.541 1.00 44.04 C ATOM 0 H TRP A 54 0.886 2.729 6.764 1.00 11.10 H new ATOM 0 HA TRP A 54 -0.142 0.539 5.137 1.00 12.41 H new ATOM 0 HB2 TRP A 54 -2.186 2.033 5.097 1.00 65.24 H new ATOM 0 HB3 TRP A 54 -1.680 1.527 6.697 1.00 65.24 H new ATOM 0 HD1 TRP A 54 -0.756 3.431 8.369 1.00 33.35 H new ATOM 0 HE1 TRP A 54 -0.892 6.009 8.354 1.00 31.34 H new ATOM 0 HE3 TRP A 54 -2.168 4.085 3.495 1.00 30.44 H new ATOM 0 HZ2 TRP A 54 -1.536 8.016 6.497 1.00 34.04 H new ATOM 0 HZ3 TRP A 54 -2.524 6.377 2.669 1.00 35.31 H new ATOM 0 HH2 TRP A 54 -2.210 8.316 4.154 1.00 44.04 H new ATOM 846 N PHE A 55 1.005 3.254 3.811 1.00 72.23 N ATOM 847 CA PHE A 55 1.285 3.966 2.556 1.00 23.33 C ATOM 848 C PHE A 55 1.896 3.053 1.472 1.00 23.23 C ATOM 849 O PHE A 55 1.760 3.322 0.281 1.00 41.15 O ATOM 850 CB PHE A 55 2.198 5.170 2.826 1.00 41.11 C ATOM 851 CG PHE A 55 3.489 4.832 3.533 1.00 74.53 C ATOM 852 CD1 PHE A 55 3.554 4.812 4.919 1.00 42.44 C ATOM 853 CD2 PHE A 55 4.640 4.547 2.811 1.00 54.52 C ATOM 854 CE1 PHE A 55 4.735 4.511 5.569 1.00 53.04 C ATOM 855 CE2 PHE A 55 5.822 4.246 3.457 1.00 71.23 C ATOM 856 CZ PHE A 55 5.871 4.228 4.837 1.00 30.52 C ATOM 0 H PHE A 55 1.506 3.622 4.620 1.00 72.23 H new ATOM 0 HA PHE A 55 0.329 4.314 2.165 1.00 23.33 H new ATOM 0 HB2 PHE A 55 2.434 5.651 1.877 1.00 41.11 H new ATOM 0 HB3 PHE A 55 1.650 5.898 3.425 1.00 41.11 H new ATOM 0 HD1 PHE A 55 2.669 5.035 5.497 1.00 42.44 H new ATOM 0 HD2 PHE A 55 4.610 4.561 1.732 1.00 54.52 H new ATOM 0 HE1 PHE A 55 4.770 4.497 6.648 1.00 53.04 H new ATOM 0 HE2 PHE A 55 6.709 4.024 2.883 1.00 71.23 H new ATOM 0 HZ PHE A 55 6.796 3.993 5.343 1.00 30.52 H new ATOM 866 N ARG A 56 2.544 1.963 1.886 1.00 11.41 N ATOM 867 CA ARG A 56 3.178 1.030 0.939 1.00 65.01 C ATOM 868 C ARG A 56 2.140 0.202 0.151 1.00 22.12 C ATOM 869 O ARG A 56 2.500 -0.584 -0.727 1.00 14.22 O ATOM 870 CB ARG A 56 4.133 0.083 1.682 1.00 3.50 C ATOM 871 CG ARG A 56 5.279 0.788 2.407 1.00 50.11 C ATOM 872 CD ARG A 56 6.208 -0.207 3.097 1.00 51.43 C ATOM 873 NE ARG A 56 7.282 0.458 3.834 1.00 2.31 N ATOM 874 CZ ARG A 56 7.987 -0.105 4.783 1.00 10.32 C ATOM 875 NH1 ARG A 56 7.807 -1.348 5.098 1.00 73.12 N ATOM 876 NH2 ARG A 56 8.887 0.574 5.405 1.00 34.33 N ATOM 0 H ARG A 56 2.646 1.701 2.866 1.00 11.41 H new ATOM 0 HA ARG A 56 3.737 1.633 0.223 1.00 65.01 H new ATOM 0 HB2 ARG A 56 3.561 -0.496 2.407 1.00 3.50 H new ATOM 0 HB3 ARG A 56 4.552 -0.626 0.968 1.00 3.50 H new ATOM 0 HG2 ARG A 56 5.849 1.384 1.694 1.00 50.11 H new ATOM 0 HG3 ARG A 56 4.872 1.478 3.146 1.00 50.11 H new ATOM 0 HD2 ARG A 56 5.629 -0.827 3.782 1.00 51.43 H new ATOM 0 HD3 ARG A 56 6.641 -0.874 2.352 1.00 51.43 H new ATOM 0 HE ARG A 56 7.496 1.426 3.593 1.00 2.31 H new ATOM 0 HH11 ARG A 56 7.108 -1.903 4.604 1.00 73.12 H new ATOM 0 HH12 ARG A 56 8.364 -1.772 5.840 1.00 73.12 H new ATOM 0 HH21 ARG A 56 9.051 1.550 5.158 1.00 34.33 H new ATOM 0 HH22 ARG A 56 9.436 0.136 6.144 1.00 34.33 H new ATOM 890 N VAL A 57 0.856 0.369 0.473 1.00 35.54 N ATOM 891 CA VAL A 57 -0.212 -0.396 -0.184 1.00 61.01 C ATOM 892 C VAL A 57 -1.121 0.511 -1.042 1.00 52.14 C ATOM 893 O VAL A 57 -1.817 1.390 -0.525 1.00 31.03 O ATOM 894 CB VAL A 57 -1.073 -1.156 0.860 1.00 13.12 C ATOM 895 CG1 VAL A 57 -2.079 -2.073 0.172 1.00 44.43 C ATOM 896 CG2 VAL A 57 -0.185 -1.945 1.823 1.00 35.44 C ATOM 0 H VAL A 57 0.528 1.025 1.182 1.00 35.54 H new ATOM 0 HA VAL A 57 0.273 -1.117 -0.842 1.00 61.01 H new ATOM 0 HB VAL A 57 -1.631 -0.420 1.439 1.00 13.12 H new ATOM 0 HG11 VAL A 57 -2.670 -2.594 0.925 1.00 44.43 H new ATOM 0 HG12 VAL A 57 -2.739 -1.479 -0.461 1.00 44.43 H new ATOM 0 HG13 VAL A 57 -1.548 -2.801 -0.441 1.00 44.43 H new ATOM 0 HG21 VAL A 57 -0.809 -2.470 2.546 1.00 35.44 H new ATOM 0 HG22 VAL A 57 0.407 -2.668 1.262 1.00 35.44 H new ATOM 0 HG23 VAL A 57 0.481 -1.260 2.348 1.00 35.44 H new ATOM 906 N ILE A 58 -1.110 0.284 -2.359 1.00 51.20 N ATOM 907 CA ILE A 58 -1.917 1.072 -3.306 1.00 21.41 C ATOM 908 C ILE A 58 -2.933 0.181 -4.051 1.00 73.30 C ATOM 909 O ILE A 58 -3.151 -0.970 -3.674 1.00 31.32 O ATOM 910 CB ILE A 58 -1.016 1.815 -4.328 1.00 55.24 C ATOM 911 CG1 ILE A 58 -0.302 0.814 -5.251 1.00 34.53 C ATOM 912 CG2 ILE A 58 -0.008 2.710 -3.601 1.00 22.23 C ATOM 913 CD1 ILE A 58 0.674 1.460 -6.213 1.00 63.21 C ATOM 0 H ILE A 58 -0.548 -0.444 -2.800 1.00 51.20 H new ATOM 0 HA ILE A 58 -2.466 1.812 -2.724 1.00 21.41 H new ATOM 0 HB ILE A 58 -1.647 2.451 -4.949 1.00 55.24 H new ATOM 0 HG12 ILE A 58 0.232 0.087 -4.639 1.00 34.53 H new ATOM 0 HG13 ILE A 58 -1.049 0.263 -5.822 1.00 34.53 H new ATOM 0 HG21 ILE A 58 0.616 3.224 -4.332 1.00 22.23 H new ATOM 0 HG22 ILE A 58 -0.542 3.445 -2.999 1.00 22.23 H new ATOM 0 HG23 ILE A 58 0.620 2.099 -2.953 1.00 22.23 H new ATOM 0 HD11 ILE A 58 1.138 0.691 -6.831 1.00 63.21 H new ATOM 0 HD12 ILE A 58 0.143 2.166 -6.851 1.00 63.21 H new ATOM 0 HD13 ILE A 58 1.444 1.988 -5.650 1.00 63.21 H new ATOM 925 N ASN A 59 -3.571 0.717 -5.098 1.00 12.11 N ATOM 926 CA ASN A 59 -4.622 -0.021 -5.824 1.00 4.14 C ATOM 927 C ASN A 59 -4.054 -0.878 -6.975 1.00 42.14 C ATOM 928 O ASN A 59 -2.880 -0.769 -7.332 1.00 64.40 O ATOM 929 CB ASN A 59 -5.687 0.957 -6.350 1.00 54.21 C ATOM 930 CG ASN A 59 -5.142 1.970 -7.344 1.00 53.14 C ATOM 931 OD1 ASN A 59 -4.287 1.663 -8.166 1.00 34.41 O ATOM 932 ND2 ASN A 59 -5.615 3.194 -7.261 1.00 4.45 N ATOM 0 H ASN A 59 -3.383 1.651 -5.462 1.00 12.11 H new ATOM 0 HA ASN A 59 -5.083 -0.710 -5.117 1.00 4.14 H new ATOM 0 HB2 ASN A 59 -6.488 0.389 -6.824 1.00 54.21 H new ATOM 0 HB3 ASN A 59 -6.129 1.488 -5.507 1.00 54.21 H new ATOM 0 HD21 ASN A 59 -5.270 3.918 -7.891 1.00 4.45 H new ATOM 0 HD22 ASN A 59 -6.327 3.420 -6.566 1.00 4.45 H new ATOM 939 N SER A 60 -4.912 -1.713 -7.569 1.00 54.42 N ATOM 940 CA SER A 60 -4.499 -2.638 -8.645 1.00 21.02 C ATOM 941 C SER A 60 -4.084 -1.899 -9.930 1.00 12.55 C ATOM 942 O SER A 60 -3.435 -2.474 -10.806 1.00 62.24 O ATOM 943 CB SER A 60 -5.635 -3.620 -8.966 1.00 52.35 C ATOM 944 OG SER A 60 -5.252 -4.549 -9.971 1.00 30.54 O ATOM 0 H SER A 60 -5.901 -1.772 -7.327 1.00 54.42 H new ATOM 0 HA SER A 60 -3.628 -3.180 -8.278 1.00 21.02 H new ATOM 0 HB2 SER A 60 -5.919 -4.158 -8.061 1.00 52.35 H new ATOM 0 HB3 SER A 60 -6.514 -3.066 -9.297 1.00 52.35 H new ATOM 0 HG SER A 60 -5.996 -5.161 -10.151 1.00 30.54 H new ATOM 950 N GLN A 61 -4.466 -0.628 -10.041 1.00 74.43 N ATOM 951 CA GLN A 61 -4.102 0.193 -11.204 1.00 14.33 C ATOM 952 C GLN A 61 -2.637 0.652 -11.124 1.00 11.34 C ATOM 953 O GLN A 61 -2.046 1.063 -12.126 1.00 41.43 O ATOM 954 CB GLN A 61 -5.017 1.427 -11.293 1.00 11.31 C ATOM 955 CG GLN A 61 -6.500 1.104 -11.452 1.00 73.23 C ATOM 956 CD GLN A 61 -6.809 0.342 -12.732 1.00 51.23 C ATOM 957 OE1 GLN A 61 -6.122 0.479 -13.736 1.00 2.13 O ATOM 958 NE2 GLN A 61 -7.847 -0.467 -12.709 1.00 25.22 N ATOM 0 H GLN A 61 -5.027 -0.141 -9.342 1.00 74.43 H new ATOM 0 HA GLN A 61 -4.228 -0.422 -12.095 1.00 14.33 H new ATOM 0 HB2 GLN A 61 -4.883 2.029 -10.394 1.00 11.31 H new ATOM 0 HB3 GLN A 61 -4.699 2.040 -12.137 1.00 11.31 H new ATOM 0 HG2 GLN A 61 -6.832 0.516 -10.596 1.00 73.23 H new ATOM 0 HG3 GLN A 61 -7.071 2.032 -11.441 1.00 73.23 H new ATOM 0 HE21 GLN A 61 -8.401 -0.561 -11.858 1.00 25.22 H new ATOM 0 HE22 GLN A 61 -8.097 -1.000 -13.542 1.00 25.22 H new ATOM 967 N GLY A 62 -2.057 0.572 -9.928 1.00 4.12 N ATOM 968 CA GLY A 62 -0.711 1.087 -9.703 1.00 4.35 C ATOM 969 C GLY A 62 -0.717 2.557 -9.302 1.00 32.11 C ATOM 970 O GLY A 62 0.288 3.250 -9.429 1.00 13.42 O ATOM 0 H GLY A 62 -2.496 0.158 -9.106 1.00 4.12 H new ATOM 0 HA2 GLY A 62 -0.225 0.501 -8.923 1.00 4.35 H new ATOM 0 HA3 GLY A 62 -0.120 0.962 -10.610 1.00 4.35 H new ATOM 974 N LYS A 63 -1.858 3.024 -8.805 1.00 2.15 N ATOM 975 CA LYS A 63 -2.028 4.427 -8.410 1.00 42.12 C ATOM 976 C LYS A 63 -2.386 4.546 -6.919 1.00 53.53 C ATOM 977 O LYS A 63 -2.827 3.579 -6.291 1.00 31.12 O ATOM 978 CB LYS A 63 -3.132 5.080 -9.263 1.00 52.42 C ATOM 979 CG LYS A 63 -3.340 6.566 -8.976 1.00 31.22 C ATOM 980 CD LYS A 63 -4.590 7.120 -9.652 1.00 43.34 C ATOM 981 CE LYS A 63 -4.794 8.594 -9.318 1.00 21.00 C ATOM 982 NZ LYS A 63 -6.066 9.119 -9.875 1.00 32.15 N ATOM 0 H LYS A 63 -2.688 2.449 -8.664 1.00 2.15 H new ATOM 0 HA LYS A 63 -1.082 4.943 -8.576 1.00 42.12 H new ATOM 0 HB2 LYS A 63 -2.884 4.955 -10.317 1.00 52.42 H new ATOM 0 HB3 LYS A 63 -4.070 4.552 -9.091 1.00 52.42 H new ATOM 0 HG2 LYS A 63 -3.415 6.718 -7.899 1.00 31.22 H new ATOM 0 HG3 LYS A 63 -2.468 7.124 -9.317 1.00 31.22 H new ATOM 0 HD2 LYS A 63 -4.506 6.998 -10.732 1.00 43.34 H new ATOM 0 HD3 LYS A 63 -5.462 6.549 -9.333 1.00 43.34 H new ATOM 0 HE2 LYS A 63 -4.791 8.724 -8.236 1.00 21.00 H new ATOM 0 HE3 LYS A 63 -3.959 9.174 -9.711 1.00 21.00 H new ATOM 0 HZ1 LYS A 63 -6.166 10.124 -9.625 1.00 32.15 H new ATOM 0 HZ2 LYS A 63 -6.059 9.019 -10.910 1.00 32.15 H new ATOM 0 HZ3 LYS A 63 -6.865 8.583 -9.480 1.00 32.15 H new ATOM 996 N ILE A 64 -2.187 5.734 -6.358 1.00 32.53 N ATOM 997 CA ILE A 64 -2.613 6.023 -4.990 1.00 52.43 C ATOM 998 C ILE A 64 -4.150 6.029 -4.888 1.00 25.40 C ATOM 999 O ILE A 64 -4.827 6.735 -5.632 1.00 72.11 O ATOM 1000 CB ILE A 64 -2.053 7.386 -4.505 1.00 5.23 C ATOM 1001 CG1 ILE A 64 -0.513 7.361 -4.506 1.00 61.11 C ATOM 1002 CG2 ILE A 64 -2.595 7.736 -3.116 1.00 40.42 C ATOM 1003 CD1 ILE A 64 0.126 8.663 -4.069 1.00 33.13 C ATOM 0 H ILE A 64 -1.732 6.516 -6.830 1.00 32.53 H new ATOM 0 HA ILE A 64 -2.216 5.236 -4.349 1.00 52.43 H new ATOM 0 HB ILE A 64 -2.385 8.161 -5.196 1.00 5.23 H new ATOM 0 HG12 ILE A 64 -0.173 6.562 -3.847 1.00 61.11 H new ATOM 0 HG13 ILE A 64 -0.165 7.116 -5.509 1.00 61.11 H new ATOM 0 HG21 ILE A 64 -2.188 8.696 -2.798 1.00 40.42 H new ATOM 0 HG22 ILE A 64 -3.683 7.798 -3.155 1.00 40.42 H new ATOM 0 HG23 ILE A 64 -2.301 6.964 -2.405 1.00 40.42 H new ATOM 0 HD11 ILE A 64 1.211 8.563 -4.097 1.00 33.13 H new ATOM 0 HD12 ILE A 64 -0.182 9.463 -4.742 1.00 33.13 H new ATOM 0 HD13 ILE A 64 -0.190 8.901 -3.053 1.00 33.13 H new ATOM 1015 N SER A 65 -4.688 5.230 -3.968 1.00 71.43 N ATOM 1016 CA SER A 65 -6.144 5.128 -3.770 1.00 50.24 C ATOM 1017 C SER A 65 -6.737 6.434 -3.221 1.00 64.35 C ATOM 1018 O SER A 65 -7.849 6.829 -3.581 1.00 21.20 O ATOM 1019 CB SER A 65 -6.464 3.983 -2.802 1.00 73.22 C ATOM 1020 OG SER A 65 -5.842 4.200 -1.546 1.00 4.42 O ATOM 0 H SER A 65 -4.140 4.639 -3.343 1.00 71.43 H new ATOM 0 HA SER A 65 -6.593 4.931 -4.744 1.00 50.24 H new ATOM 0 HB2 SER A 65 -7.543 3.903 -2.670 1.00 73.22 H new ATOM 0 HB3 SER A 65 -6.123 3.038 -3.224 1.00 73.22 H new ATOM 0 HG SER A 65 -5.513 3.347 -1.192 1.00 4.42 H new ATOM 1026 N LEU A 66 -5.983 7.097 -2.348 1.00 14.51 N ATOM 1027 CA LEU A 66 -6.428 8.343 -1.713 1.00 54.10 C ATOM 1028 C LEU A 66 -6.410 9.528 -2.698 1.00 30.34 C ATOM 1029 O LEU A 66 -5.881 9.425 -3.806 1.00 42.01 O ATOM 1030 CB LEU A 66 -5.544 8.638 -0.494 1.00 52.23 C ATOM 1031 CG LEU A 66 -5.502 7.516 0.561 1.00 23.42 C ATOM 1032 CD1 LEU A 66 -4.568 7.880 1.712 1.00 22.25 C ATOM 1033 CD2 LEU A 66 -6.906 7.208 1.085 1.00 63.31 C ATOM 0 H LEU A 66 -5.053 6.792 -2.060 1.00 14.51 H new ATOM 0 HA LEU A 66 -7.461 8.213 -1.391 1.00 54.10 H new ATOM 0 HB2 LEU A 66 -4.528 8.832 -0.838 1.00 52.23 H new ATOM 0 HB3 LEU A 66 -5.899 9.552 -0.018 1.00 52.23 H new ATOM 0 HG LEU A 66 -5.112 6.620 0.079 1.00 23.42 H new ATOM 0 HD11 LEU A 66 -4.558 7.071 2.442 1.00 22.25 H new ATOM 0 HD12 LEU A 66 -3.560 8.035 1.327 1.00 22.25 H new ATOM 0 HD13 LEU A 66 -4.919 8.795 2.190 1.00 22.25 H new ATOM 0 HD21 LEU A 66 -6.851 6.413 1.828 1.00 63.31 H new ATOM 0 HD22 LEU A 66 -7.328 8.103 1.542 1.00 63.31 H new ATOM 0 HD23 LEU A 66 -7.541 6.888 0.259 1.00 63.31 H new ATOM 1045 N LYS A 67 -6.989 10.657 -2.284 1.00 21.14 N ATOM 1046 CA LYS A 67 -7.153 11.817 -3.174 1.00 53.33 C ATOM 1047 C LYS A 67 -6.598 13.114 -2.562 1.00 41.33 C ATOM 1048 O LYS A 67 -6.544 13.265 -1.340 1.00 74.22 O ATOM 1049 CB LYS A 67 -8.639 12.010 -3.511 1.00 60.34 C ATOM 1050 CG LYS A 67 -9.255 10.860 -4.305 1.00 3.11 C ATOM 1051 CD LYS A 67 -10.719 11.127 -4.658 1.00 13.23 C ATOM 1052 CE LYS A 67 -10.888 12.425 -5.444 1.00 21.24 C ATOM 1053 NZ LYS A 67 -10.040 12.454 -6.664 1.00 3.03 N ATOM 0 H LYS A 67 -7.353 10.796 -1.341 1.00 21.14 H new ATOM 0 HA LYS A 67 -6.581 11.608 -4.078 1.00 53.33 H new ATOM 0 HB2 LYS A 67 -9.197 12.136 -2.583 1.00 60.34 H new ATOM 0 HB3 LYS A 67 -8.754 12.932 -4.080 1.00 60.34 H new ATOM 0 HG2 LYS A 67 -8.684 10.705 -5.220 1.00 3.11 H new ATOM 0 HG3 LYS A 67 -9.184 9.940 -3.725 1.00 3.11 H new ATOM 0 HD2 LYS A 67 -11.109 10.295 -5.244 1.00 13.23 H new ATOM 0 HD3 LYS A 67 -11.310 11.177 -3.743 1.00 13.23 H new ATOM 0 HE2 LYS A 67 -11.934 12.543 -5.727 1.00 21.24 H new ATOM 0 HE3 LYS A 67 -10.633 13.271 -4.806 1.00 21.24 H new ATOM 0 HZ1 LYS A 67 -10.307 13.268 -7.253 1.00 3.03 H new ATOM 0 HZ2 LYS A 67 -9.040 12.538 -6.390 1.00 3.03 H new ATOM 0 HZ3 LYS A 67 -10.178 11.576 -7.204 1.00 3.03 H new ATOM 1067 N GLY A 68 -6.168 14.031 -3.441 1.00 1.10 N ATOM 1068 CA GLY A 68 -5.753 15.379 -3.035 1.00 33.25 C ATOM 1069 C GLY A 68 -4.864 15.432 -1.793 1.00 1.15 C ATOM 1070 O GLY A 68 -3.706 15.015 -1.828 1.00 45.14 O ATOM 0 H GLY A 68 -6.099 13.860 -4.444 1.00 1.10 H new ATOM 0 HA2 GLY A 68 -5.221 15.845 -3.865 1.00 33.25 H new ATOM 0 HA3 GLY A 68 -6.645 15.978 -2.851 1.00 33.25 H new ATOM 1074 N ARG A 69 -5.424 15.938 -0.691 1.00 62.00 N ATOM 1075 CA ARG A 69 -4.685 16.103 0.570 1.00 4.40 C ATOM 1076 C ARG A 69 -4.057 14.775 1.017 1.00 34.24 C ATOM 1077 O ARG A 69 -2.888 14.722 1.415 1.00 53.33 O ATOM 1078 CB ARG A 69 -5.644 16.649 1.649 1.00 31.04 C ATOM 1079 CG ARG A 69 -4.976 17.180 2.926 1.00 11.10 C ATOM 1080 CD ARG A 69 -4.471 16.072 3.848 1.00 22.53 C ATOM 1081 NE ARG A 69 -5.508 15.080 4.137 1.00 34.13 N ATOM 1082 CZ ARG A 69 -6.341 15.150 5.140 1.00 43.30 C ATOM 1083 NH1 ARG A 69 -6.308 16.154 5.962 1.00 0.13 N ATOM 1084 NH2 ARG A 69 -7.211 14.211 5.312 1.00 44.43 N ATOM 0 H ARG A 69 -6.396 16.244 -0.644 1.00 62.00 H new ATOM 0 HA ARG A 69 -3.871 16.812 0.419 1.00 4.40 H new ATOM 0 HB2 ARG A 69 -6.236 17.452 1.210 1.00 31.04 H new ATOM 0 HB3 ARG A 69 -6.338 15.856 1.927 1.00 31.04 H new ATOM 0 HG2 ARG A 69 -4.140 17.823 2.650 1.00 11.10 H new ATOM 0 HG3 ARG A 69 -5.689 17.800 3.470 1.00 11.10 H new ATOM 0 HD2 ARG A 69 -3.616 15.578 3.386 1.00 22.53 H new ATOM 0 HD3 ARG A 69 -4.119 16.510 4.782 1.00 22.53 H new ATOM 0 HE ARG A 69 -5.585 14.278 3.511 1.00 34.13 H new ATOM 0 HH11 ARG A 69 -5.626 16.900 5.828 1.00 0.13 H new ATOM 0 HH12 ARG A 69 -6.964 16.197 6.742 1.00 0.13 H new ATOM 0 HH21 ARG A 69 -7.244 13.422 4.667 1.00 44.43 H new ATOM 0 HH22 ARG A 69 -7.865 14.259 6.093 1.00 44.43 H new ATOM 1098 N ASP A 70 -4.839 13.705 0.946 1.00 62.34 N ATOM 1099 CA ASP A 70 -4.373 12.378 1.350 1.00 43.24 C ATOM 1100 C ASP A 70 -3.506 11.719 0.263 1.00 33.33 C ATOM 1101 O ASP A 70 -2.727 10.809 0.552 1.00 1.02 O ATOM 1102 CB ASP A 70 -5.565 11.492 1.708 1.00 11.25 C ATOM 1103 CG ASP A 70 -6.263 11.974 2.968 1.00 43.40 C ATOM 1104 OD1 ASP A 70 -5.857 11.561 4.070 1.00 21.31 O ATOM 1105 OD2 ASP A 70 -7.202 12.790 2.865 1.00 71.34 O ATOM 0 H ASP A 70 -5.802 13.727 0.612 1.00 62.34 H new ATOM 0 HA ASP A 70 -3.743 12.497 2.231 1.00 43.24 H new ATOM 0 HB2 ASP A 70 -6.274 11.483 0.880 1.00 11.25 H new ATOM 0 HB3 ASP A 70 -5.226 10.466 1.849 1.00 11.25 H new ATOM 1110 N LEU A 71 -3.632 12.184 -0.981 1.00 74.45 N ATOM 1111 CA LEU A 71 -2.763 11.710 -2.068 1.00 11.13 C ATOM 1112 C LEU A 71 -1.338 12.251 -1.865 1.00 43.22 C ATOM 1113 O LEU A 71 -0.365 11.502 -1.941 1.00 72.23 O ATOM 1114 CB LEU A 71 -3.330 12.130 -3.442 1.00 44.35 C ATOM 1115 CG LEU A 71 -2.690 11.459 -4.683 1.00 70.51 C ATOM 1116 CD1 LEU A 71 -3.619 11.558 -5.890 1.00 33.15 C ATOM 1117 CD2 LEU A 71 -1.333 12.078 -5.021 1.00 63.31 C ATOM 0 H LEU A 71 -4.320 12.882 -1.263 1.00 74.45 H new ATOM 0 HA LEU A 71 -2.727 10.621 -2.047 1.00 11.13 H new ATOM 0 HB2 LEU A 71 -4.399 11.916 -3.451 1.00 44.35 H new ATOM 0 HB3 LEU A 71 -3.220 13.210 -3.542 1.00 44.35 H new ATOM 0 HG LEU A 71 -2.534 10.409 -4.438 1.00 70.51 H new ATOM 0 HD11 LEU A 71 -3.150 11.081 -6.750 1.00 33.15 H new ATOM 0 HD12 LEU A 71 -4.561 11.057 -5.666 1.00 33.15 H new ATOM 0 HD13 LEU A 71 -3.810 12.607 -6.117 1.00 33.15 H new ATOM 0 HD21 LEU A 71 -0.915 11.582 -5.897 1.00 63.31 H new ATOM 0 HD22 LEU A 71 -1.460 13.140 -5.232 1.00 63.31 H new ATOM 0 HD23 LEU A 71 -0.656 11.954 -4.176 1.00 63.31 H new ATOM 1129 N ASP A 72 -1.227 13.555 -1.603 1.00 41.42 N ATOM 1130 CA ASP A 72 0.059 14.165 -1.250 1.00 53.44 C ATOM 1131 C ASP A 72 0.635 13.520 0.018 1.00 32.41 C ATOM 1132 O ASP A 72 1.807 13.164 0.058 1.00 14.44 O ATOM 1133 CB ASP A 72 -0.096 15.676 -1.053 1.00 13.43 C ATOM 1134 CG ASP A 72 -0.326 16.407 -2.362 1.00 4.15 C ATOM 1135 OD1 ASP A 72 0.656 16.630 -3.101 1.00 10.13 O ATOM 1136 OD2 ASP A 72 -1.487 16.754 -2.668 1.00 53.25 O ATOM 0 H ASP A 72 -2.010 14.209 -1.628 1.00 41.42 H new ATOM 0 HA ASP A 72 0.753 13.992 -2.072 1.00 53.44 H new ATOM 0 HB2 ASP A 72 -0.932 15.869 -0.380 1.00 13.43 H new ATOM 0 HB3 ASP A 72 0.798 16.071 -0.571 1.00 13.43 H new ATOM 1141 N ARG A 73 -0.206 13.372 1.046 1.00 62.13 N ATOM 1142 CA ARG A 73 0.171 12.653 2.274 1.00 24.53 C ATOM 1143 C ARG A 73 0.816 11.294 1.945 1.00 12.15 C ATOM 1144 O ARG A 73 1.910 10.968 2.429 1.00 24.11 O ATOM 1145 CB ARG A 73 -1.078 12.455 3.158 1.00 34.24 C ATOM 1146 CG ARG A 73 -0.997 11.272 4.124 1.00 40.12 C ATOM 1147 CD ARG A 73 -2.281 11.108 4.932 1.00 50.42 C ATOM 1148 NE ARG A 73 -2.369 12.071 6.026 1.00 64.22 N ATOM 1149 CZ ARG A 73 -3.433 12.254 6.760 1.00 53.22 C ATOM 1150 NH1 ARG A 73 -4.570 11.727 6.434 1.00 44.20 N ATOM 1151 NH2 ARG A 73 -3.365 13.015 7.800 1.00 40.52 N ATOM 0 H ARG A 73 -1.157 13.741 1.055 1.00 62.13 H new ATOM 0 HA ARG A 73 0.907 13.248 2.815 1.00 24.53 H new ATOM 0 HB2 ARG A 73 -1.247 13.365 3.733 1.00 34.24 H new ATOM 0 HB3 ARG A 73 -1.946 12.320 2.512 1.00 34.24 H new ATOM 0 HG2 ARG A 73 -0.802 10.358 3.563 1.00 40.12 H new ATOM 0 HG3 ARG A 73 -0.156 11.415 4.803 1.00 40.12 H new ATOM 0 HD2 ARG A 73 -3.141 11.229 4.273 1.00 50.42 H new ATOM 0 HD3 ARG A 73 -2.328 10.097 5.335 1.00 50.42 H new ATOM 0 HE ARG A 73 -1.546 12.638 6.230 1.00 64.22 H new ATOM 0 HH11 ARG A 73 -4.645 11.158 5.591 1.00 44.20 H new ATOM 0 HH12 ARG A 73 -5.390 11.881 7.020 1.00 44.20 H new ATOM 0 HH21 ARG A 73 -2.484 13.468 8.043 1.00 40.52 H new ATOM 0 HH22 ARG A 73 -4.192 13.163 8.379 1.00 40.52 H new ATOM 1165 N GLN A 74 0.125 10.518 1.115 1.00 2.02 N ATOM 1166 CA GLN A 74 0.623 9.224 0.644 1.00 63.03 C ATOM 1167 C GLN A 74 2.001 9.374 -0.029 1.00 74.35 C ATOM 1168 O GLN A 74 2.989 8.775 0.403 1.00 34.13 O ATOM 1169 CB GLN A 74 -0.397 8.607 -0.339 1.00 52.13 C ATOM 1170 CG GLN A 74 -0.990 7.273 0.113 1.00 23.24 C ATOM 1171 CD GLN A 74 -0.013 6.114 -0.001 1.00 63.22 C ATOM 1172 OE1 GLN A 74 1.189 6.283 0.112 1.00 73.24 O ATOM 1173 NE2 GLN A 74 -0.529 4.921 -0.222 1.00 45.11 N ATOM 0 H GLN A 74 -0.794 10.765 0.749 1.00 2.02 H new ATOM 0 HA GLN A 74 0.744 8.561 1.501 1.00 63.03 H new ATOM 0 HB2 GLN A 74 -1.209 9.317 -0.492 1.00 52.13 H new ATOM 0 HB3 GLN A 74 0.089 8.465 -1.304 1.00 52.13 H new ATOM 0 HG2 GLN A 74 -1.320 7.361 1.148 1.00 23.24 H new ATOM 0 HG3 GLN A 74 -1.874 7.054 -0.486 1.00 23.24 H new ATOM 0 HE21 GLN A 74 -1.539 4.811 -0.312 1.00 45.11 H new ATOM 0 HE22 GLN A 74 0.082 4.108 -0.303 1.00 45.11 H new ATOM 1182 N LYS A 75 2.060 10.208 -1.070 1.00 54.03 N ATOM 1183 CA LYS A 75 3.297 10.424 -1.829 1.00 62.33 C ATOM 1184 C LYS A 75 4.452 10.896 -0.930 1.00 4.31 C ATOM 1185 O LYS A 75 5.597 10.502 -1.130 1.00 21.15 O ATOM 1186 CB LYS A 75 3.078 11.441 -2.959 1.00 33.11 C ATOM 1187 CG LYS A 75 4.307 11.627 -3.842 1.00 53.41 C ATOM 1188 CD LYS A 75 4.093 12.667 -4.933 1.00 75.43 C ATOM 1189 CE LYS A 75 5.311 12.771 -5.844 1.00 4.12 C ATOM 1190 NZ LYS A 75 5.140 13.804 -6.895 1.00 4.51 N ATOM 0 H LYS A 75 1.263 10.747 -1.409 1.00 54.03 H new ATOM 0 HA LYS A 75 3.572 9.461 -2.258 1.00 62.33 H new ATOM 0 HB2 LYS A 75 2.241 11.115 -3.576 1.00 33.11 H new ATOM 0 HB3 LYS A 75 2.800 12.402 -2.526 1.00 33.11 H new ATOM 0 HG2 LYS A 75 5.153 11.925 -3.223 1.00 53.41 H new ATOM 0 HG3 LYS A 75 4.568 10.673 -4.301 1.00 53.41 H new ATOM 0 HD2 LYS A 75 3.216 12.403 -5.524 1.00 75.43 H new ATOM 0 HD3 LYS A 75 3.891 13.637 -4.479 1.00 75.43 H new ATOM 0 HE2 LYS A 75 6.191 13.007 -5.245 1.00 4.12 H new ATOM 0 HE3 LYS A 75 5.495 11.805 -6.314 1.00 4.12 H new ATOM 0 HZ1 LYS A 75 5.992 13.839 -7.490 1.00 4.51 H new ATOM 0 HZ2 LYS A 75 4.316 13.567 -7.484 1.00 4.51 H new ATOM 0 HZ3 LYS A 75 4.991 14.732 -6.449 1.00 4.51 H new ATOM 1204 N GLN A 76 4.153 11.741 0.057 1.00 13.25 N ATOM 1205 CA GLN A 76 5.176 12.225 0.993 1.00 14.21 C ATOM 1206 C GLN A 76 5.876 11.055 1.695 1.00 4.32 C ATOM 1207 O GLN A 76 7.105 11.015 1.792 1.00 35.03 O ATOM 1208 CB GLN A 76 4.559 13.172 2.038 1.00 40.54 C ATOM 1209 CG GLN A 76 4.093 14.511 1.470 1.00 22.40 C ATOM 1210 CD GLN A 76 5.218 15.310 0.831 1.00 62.12 C ATOM 1211 OE1 GLN A 76 6.375 15.219 1.236 1.00 61.24 O ATOM 1212 NE2 GLN A 76 4.892 16.098 -0.172 1.00 60.20 N ATOM 0 H GLN A 76 3.216 12.105 0.231 1.00 13.25 H new ATOM 0 HA GLN A 76 5.917 12.777 0.415 1.00 14.21 H new ATOM 0 HB2 GLN A 76 3.711 12.674 2.507 1.00 40.54 H new ATOM 0 HB3 GLN A 76 5.293 13.358 2.822 1.00 40.54 H new ATOM 0 HG2 GLN A 76 3.314 14.333 0.728 1.00 22.40 H new ATOM 0 HG3 GLN A 76 3.644 15.101 2.269 1.00 22.40 H new ATOM 0 HE21 GLN A 76 3.923 16.151 -0.485 1.00 60.20 H new ATOM 0 HE22 GLN A 76 5.609 16.655 -0.637 1.00 60.20 H new ATOM 1221 N LYS A 77 5.086 10.102 2.181 1.00 31.31 N ATOM 1222 CA LYS A 77 5.631 8.909 2.838 1.00 43.43 C ATOM 1223 C LYS A 77 6.381 8.003 1.838 1.00 61.22 C ATOM 1224 O LYS A 77 7.454 7.484 2.142 1.00 30.33 O ATOM 1225 CB LYS A 77 4.504 8.131 3.531 1.00 53.53 C ATOM 1226 CG LYS A 77 3.843 8.862 4.711 1.00 0.34 C ATOM 1227 CD LYS A 77 4.654 8.759 6.014 1.00 12.33 C ATOM 1228 CE LYS A 77 5.890 9.660 6.033 1.00 23.02 C ATOM 1229 NZ LYS A 77 5.534 11.106 6.053 1.00 24.24 N ATOM 0 H LYS A 77 4.067 10.129 2.134 1.00 31.31 H new ATOM 0 HA LYS A 77 6.352 9.235 3.587 1.00 43.43 H new ATOM 0 HB2 LYS A 77 3.737 7.896 2.793 1.00 53.53 H new ATOM 0 HB3 LYS A 77 4.904 7.182 3.888 1.00 53.53 H new ATOM 0 HG2 LYS A 77 3.713 9.913 4.453 1.00 0.34 H new ATOM 0 HG3 LYS A 77 2.848 8.449 4.876 1.00 0.34 H new ATOM 0 HD2 LYS A 77 4.011 9.019 6.855 1.00 12.33 H new ATOM 0 HD3 LYS A 77 4.965 7.724 6.159 1.00 12.33 H new ATOM 0 HE2 LYS A 77 6.495 9.425 6.909 1.00 23.02 H new ATOM 0 HE3 LYS A 77 6.503 9.451 5.156 1.00 23.02 H new ATOM 0 HZ1 LYS A 77 6.381 11.669 6.269 1.00 24.24 H new ATOM 0 HZ2 LYS A 77 5.161 11.385 5.123 1.00 24.24 H new ATOM 0 HZ3 LYS A 77 4.811 11.275 6.781 1.00 24.24 H new ATOM 1243 N LEU A 78 5.815 7.836 0.643 1.00 33.41 N ATOM 1244 CA LEU A 78 6.441 7.031 -0.421 1.00 75.14 C ATOM 1245 C LEU A 78 7.798 7.619 -0.863 1.00 42.50 C ATOM 1246 O LEU A 78 8.835 6.952 -0.797 1.00 65.35 O ATOM 1247 CB LEU A 78 5.489 6.942 -1.622 1.00 13.32 C ATOM 1248 CG LEU A 78 4.138 6.270 -1.331 1.00 55.23 C ATOM 1249 CD1 LEU A 78 3.180 6.451 -2.506 1.00 74.55 C ATOM 1250 CD2 LEU A 78 4.332 4.787 -1.014 1.00 43.02 C ATOM 0 H LEU A 78 4.919 8.247 0.381 1.00 33.41 H new ATOM 0 HA LEU A 78 6.631 6.034 -0.023 1.00 75.14 H new ATOM 0 HB2 LEU A 78 5.304 7.949 -1.995 1.00 13.32 H new ATOM 0 HB3 LEU A 78 5.987 6.392 -2.421 1.00 13.32 H new ATOM 0 HG LEU A 78 3.698 6.751 -0.458 1.00 55.23 H new ATOM 0 HD11 LEU A 78 2.230 5.968 -2.279 1.00 74.55 H new ATOM 0 HD12 LEU A 78 3.014 7.514 -2.680 1.00 74.55 H new ATOM 0 HD13 LEU A 78 3.611 6.001 -3.400 1.00 74.55 H new ATOM 0 HD21 LEU A 78 3.364 4.329 -0.811 1.00 43.02 H new ATOM 0 HD22 LEU A 78 4.797 4.291 -1.866 1.00 43.02 H new ATOM 0 HD23 LEU A 78 4.974 4.683 -0.139 1.00 43.02 H new ATOM 1262 N GLU A 79 7.778 8.872 -1.320 1.00 45.11 N ATOM 1263 CA GLU A 79 8.999 9.596 -1.707 1.00 43.10 C ATOM 1264 C GLU A 79 10.049 9.582 -0.580 1.00 61.01 C ATOM 1265 O GLU A 79 11.256 9.623 -0.838 1.00 45.14 O ATOM 1266 CB GLU A 79 8.656 11.051 -2.074 1.00 12.21 C ATOM 1267 CG GLU A 79 7.879 11.217 -3.385 1.00 55.02 C ATOM 1268 CD GLU A 79 8.726 10.975 -4.627 1.00 11.44 C ATOM 1269 OE1 GLU A 79 9.897 11.416 -4.652 1.00 34.20 O ATOM 1270 OE2 GLU A 79 8.229 10.353 -5.591 1.00 33.50 O ATOM 0 H GLU A 79 6.922 9.415 -1.433 1.00 45.11 H new ATOM 0 HA GLU A 79 9.424 9.088 -2.573 1.00 43.10 H new ATOM 0 HB2 GLU A 79 8.072 11.487 -1.264 1.00 12.21 H new ATOM 0 HB3 GLU A 79 9.582 11.622 -2.142 1.00 12.21 H new ATOM 0 HG2 GLU A 79 7.036 10.526 -3.389 1.00 55.02 H new ATOM 0 HG3 GLU A 79 7.465 12.224 -3.428 1.00 55.02 H new ATOM 1277 N ALA A 80 9.582 9.541 0.667 1.00 43.12 N ATOM 1278 CA ALA A 80 10.470 9.466 1.832 1.00 24.43 C ATOM 1279 C ALA A 80 11.359 8.211 1.796 1.00 33.53 C ATOM 1280 O ALA A 80 12.530 8.259 2.176 1.00 5.22 O ATOM 1281 CB ALA A 80 9.658 9.492 3.120 1.00 0.32 C ATOM 0 H ALA A 80 8.589 9.558 0.900 1.00 43.12 H new ATOM 0 HA ALA A 80 11.124 10.338 1.799 1.00 24.43 H new ATOM 0 HB1 ALA A 80 10.331 9.436 3.976 1.00 0.32 H new ATOM 0 HB2 ALA A 80 9.084 10.418 3.170 1.00 0.32 H new ATOM 0 HB3 ALA A 80 8.977 8.641 3.138 1.00 0.32 H new ATOM 1287 N GLU A 81 10.796 7.090 1.343 1.00 31.24 N ATOM 1288 CA GLU A 81 11.543 5.826 1.254 1.00 74.24 C ATOM 1289 C GLU A 81 12.293 5.701 -0.083 1.00 3.41 C ATOM 1290 O GLU A 81 12.930 4.680 -0.360 1.00 24.34 O ATOM 1291 CB GLU A 81 10.599 4.626 1.432 1.00 74.33 C ATOM 1292 CG GLU A 81 9.722 4.707 2.679 1.00 3.15 C ATOM 1293 CD GLU A 81 9.102 3.368 3.057 1.00 44.45 C ATOM 1294 OE1 GLU A 81 8.509 2.702 2.186 1.00 70.42 O ATOM 1295 OE2 GLU A 81 9.228 2.969 4.232 1.00 4.12 O ATOM 0 H GLU A 81 9.827 7.027 1.031 1.00 31.24 H new ATOM 0 HA GLU A 81 12.279 5.829 2.058 1.00 74.24 H new ATOM 0 HB2 GLU A 81 9.958 4.547 0.554 1.00 74.33 H new ATOM 0 HB3 GLU A 81 11.193 3.713 1.476 1.00 74.33 H new ATOM 0 HG2 GLU A 81 10.320 5.073 3.514 1.00 3.15 H new ATOM 0 HG3 GLU A 81 8.928 5.435 2.512 1.00 3.15 H new ATOM 1302 N GLY A 82 12.216 6.744 -0.906 1.00 74.55 N ATOM 1303 CA GLY A 82 12.872 6.734 -2.209 1.00 3.22 C ATOM 1304 C GLY A 82 12.004 6.135 -3.312 1.00 12.22 C ATOM 1305 O GLY A 82 12.490 5.851 -4.410 1.00 25.40 O ATOM 0 H GLY A 82 11.708 7.603 -0.694 1.00 74.55 H new ATOM 0 HA2 GLY A 82 13.142 7.754 -2.481 1.00 3.22 H new ATOM 0 HA3 GLY A 82 13.800 6.167 -2.137 1.00 3.22 H new ATOM 1309 N ILE A 83 10.718 5.942 -3.025 1.00 21.30 N ATOM 1310 CA ILE A 83 9.783 5.385 -4.006 1.00 4.42 C ATOM 1311 C ILE A 83 9.396 6.434 -5.059 1.00 62.11 C ATOM 1312 O ILE A 83 8.949 7.532 -4.727 1.00 10.14 O ATOM 1313 CB ILE A 83 8.506 4.838 -3.320 1.00 61.20 C ATOM 1314 CG1 ILE A 83 8.884 3.743 -2.305 1.00 43.22 C ATOM 1315 CG2 ILE A 83 7.516 4.302 -4.356 1.00 4.35 C ATOM 1316 CD1 ILE A 83 7.705 3.160 -1.553 1.00 20.44 C ATOM 0 H ILE A 83 10.298 6.162 -2.122 1.00 21.30 H new ATOM 0 HA ILE A 83 10.293 4.559 -4.502 1.00 4.42 H new ATOM 0 HB ILE A 83 8.019 5.655 -2.788 1.00 61.20 H new ATOM 0 HG12 ILE A 83 9.399 2.939 -2.830 1.00 43.22 H new ATOM 0 HG13 ILE A 83 9.590 4.158 -1.586 1.00 43.22 H new ATOM 0 HG21 ILE A 83 6.628 3.924 -3.849 1.00 4.35 H new ATOM 0 HG22 ILE A 83 7.231 5.105 -5.036 1.00 4.35 H new ATOM 0 HG23 ILE A 83 7.982 3.495 -4.921 1.00 4.35 H new ATOM 0 HD11 ILE A 83 8.057 2.397 -0.859 1.00 20.44 H new ATOM 0 HD12 ILE A 83 7.201 3.951 -0.997 1.00 20.44 H new ATOM 0 HD13 ILE A 83 7.007 2.713 -2.261 1.00 20.44 H new ATOM 1328 N GLU A 84 9.598 6.095 -6.326 1.00 51.33 N ATOM 1329 CA GLU A 84 9.303 7.000 -7.438 1.00 3.12 C ATOM 1330 C GLU A 84 7.796 7.078 -7.726 1.00 42.05 C ATOM 1331 O GLU A 84 7.219 6.176 -8.342 1.00 22.12 O ATOM 1332 CB GLU A 84 10.050 6.531 -8.692 1.00 65.22 C ATOM 1333 CG GLU A 84 9.835 7.420 -9.913 1.00 32.01 C ATOM 1334 CD GLU A 84 10.447 6.836 -11.176 1.00 1.14 C ATOM 1335 OE1 GLU A 84 11.677 6.964 -11.362 1.00 74.30 O ATOM 1336 OE2 GLU A 84 9.697 6.256 -11.990 1.00 11.50 O ATOM 0 H GLU A 84 9.969 5.190 -6.615 1.00 51.33 H new ATOM 0 HA GLU A 84 9.637 7.999 -7.157 1.00 3.12 H new ATOM 0 HB2 GLU A 84 11.117 6.487 -8.471 1.00 65.22 H new ATOM 0 HB3 GLU A 84 9.732 5.517 -8.934 1.00 65.22 H new ATOM 0 HG2 GLU A 84 8.766 7.568 -10.066 1.00 32.01 H new ATOM 0 HG3 GLU A 84 10.269 8.402 -9.724 1.00 32.01 H new ATOM 1343 N VAL A 85 7.157 8.152 -7.277 1.00 50.15 N ATOM 1344 CA VAL A 85 5.728 8.357 -7.526 1.00 43.33 C ATOM 1345 C VAL A 85 5.496 9.373 -8.658 1.00 62.14 C ATOM 1346 O VAL A 85 5.766 10.566 -8.502 1.00 10.22 O ATOM 1347 CB VAL A 85 5.003 8.840 -6.246 1.00 24.41 C ATOM 1348 CG1 VAL A 85 3.493 8.926 -6.469 1.00 52.33 C ATOM 1349 CG2 VAL A 85 5.332 7.927 -5.068 1.00 32.02 C ATOM 0 H VAL A 85 7.602 8.896 -6.739 1.00 50.15 H new ATOM 0 HA VAL A 85 5.316 7.394 -7.828 1.00 43.33 H new ATOM 0 HB VAL A 85 5.360 9.843 -6.010 1.00 24.41 H new ATOM 0 HG11 VAL A 85 3.009 9.268 -5.554 1.00 52.33 H new ATOM 0 HG12 VAL A 85 3.284 9.630 -7.275 1.00 52.33 H new ATOM 0 HG13 VAL A 85 3.108 7.942 -6.737 1.00 52.33 H new ATOM 0 HG21 VAL A 85 4.814 8.282 -4.177 1.00 32.02 H new ATOM 0 HG22 VAL A 85 5.010 6.911 -5.295 1.00 32.02 H new ATOM 0 HG23 VAL A 85 6.407 7.936 -4.890 1.00 32.02 H new ATOM 1359 N SER A 86 5.004 8.886 -9.797 1.00 20.51 N ATOM 1360 CA SER A 86 4.688 9.743 -10.953 1.00 10.31 C ATOM 1361 C SER A 86 3.735 10.887 -10.574 1.00 11.03 C ATOM 1362 O SER A 86 2.888 10.729 -9.693 1.00 63.34 O ATOM 1363 CB SER A 86 4.063 8.913 -12.081 1.00 33.52 C ATOM 1364 OG SER A 86 3.665 9.736 -13.166 1.00 30.25 O ATOM 0 H SER A 86 4.812 7.896 -9.950 1.00 20.51 H new ATOM 0 HA SER A 86 5.627 10.180 -11.294 1.00 10.31 H new ATOM 0 HB2 SER A 86 4.780 8.170 -12.429 1.00 33.52 H new ATOM 0 HB3 SER A 86 3.200 8.368 -11.699 1.00 33.52 H new ATOM 0 HG SER A 86 3.272 9.180 -13.871 1.00 30.25 H new ATOM 1370 N GLU A 87 3.872 12.021 -11.274 1.00 14.20 N ATOM 1371 CA GLU A 87 3.142 13.270 -10.969 1.00 13.11 C ATOM 1372 C GLU A 87 1.631 13.068 -10.740 1.00 53.32 C ATOM 1373 O GLU A 87 1.012 13.793 -9.959 1.00 53.11 O ATOM 1374 CB GLU A 87 3.361 14.281 -12.106 1.00 40.44 C ATOM 1375 CG GLU A 87 2.930 13.766 -13.477 1.00 54.30 C ATOM 1376 CD GLU A 87 3.195 14.764 -14.593 1.00 64.42 C ATOM 1377 OE1 GLU A 87 4.358 14.868 -15.042 1.00 55.30 O ATOM 1378 OE2 GLU A 87 2.245 15.456 -15.023 1.00 71.53 O ATOM 0 H GLU A 87 4.497 12.103 -12.076 1.00 14.20 H new ATOM 0 HA GLU A 87 3.547 13.645 -10.029 1.00 13.11 H new ATOM 0 HB2 GLU A 87 2.809 15.193 -11.880 1.00 40.44 H new ATOM 0 HB3 GLU A 87 4.417 14.549 -12.144 1.00 40.44 H new ATOM 0 HG2 GLU A 87 3.458 12.838 -13.693 1.00 54.30 H new ATOM 0 HG3 GLU A 87 1.866 13.529 -13.453 1.00 54.30 H new ATOM 1385 N ILE A 88 1.043 12.087 -11.413 1.00 54.43 N ATOM 1386 CA ILE A 88 -0.398 11.824 -11.292 1.00 5.10 C ATOM 1387 C ILE A 88 -0.729 10.969 -10.052 1.00 64.25 C ATOM 1388 O ILE A 88 -1.874 10.554 -9.860 1.00 24.20 O ATOM 1389 CB ILE A 88 -0.949 11.127 -12.562 1.00 4.33 C ATOM 1390 CG1 ILE A 88 -0.235 9.783 -12.799 1.00 50.20 C ATOM 1391 CG2 ILE A 88 -0.796 12.041 -13.777 1.00 75.30 C ATOM 1392 CD1 ILE A 88 -0.759 9.015 -13.998 1.00 2.40 C ATOM 0 H ILE A 88 1.534 11.458 -12.048 1.00 54.43 H new ATOM 0 HA ILE A 88 -0.881 12.795 -11.177 1.00 5.10 H new ATOM 0 HB ILE A 88 -2.010 10.925 -12.412 1.00 4.33 H new ATOM 0 HG12 ILE A 88 0.831 9.967 -12.935 1.00 50.20 H new ATOM 0 HG13 ILE A 88 -0.341 9.164 -11.908 1.00 50.20 H new ATOM 0 HG21 ILE A 88 -1.187 11.539 -14.662 1.00 75.30 H new ATOM 0 HG22 ILE A 88 -1.350 12.965 -13.610 1.00 75.30 H new ATOM 0 HG23 ILE A 88 0.258 12.273 -13.928 1.00 75.30 H new ATOM 0 HD11 ILE A 88 -0.208 8.080 -14.101 1.00 2.40 H new ATOM 0 HD12 ILE A 88 -1.818 8.798 -13.857 1.00 2.40 H new ATOM 0 HD13 ILE A 88 -0.628 9.614 -14.899 1.00 2.40 H new ATOM 1404 N GLY A 89 0.272 10.736 -9.203 1.00 73.25 N ATOM 1405 CA GLY A 89 0.100 9.870 -8.041 1.00 31.42 C ATOM 1406 C GLY A 89 0.136 8.387 -8.401 1.00 44.51 C ATOM 1407 O GLY A 89 -0.656 7.596 -7.891 1.00 52.03 O ATOM 0 H GLY A 89 1.206 11.134 -9.299 1.00 73.25 H new ATOM 0 HA2 GLY A 89 0.885 10.083 -7.315 1.00 31.42 H new ATOM 0 HA3 GLY A 89 -0.850 10.100 -7.559 1.00 31.42 H new ATOM 1411 N LYS A 90 1.070 8.007 -9.273 1.00 62.35 N ATOM 1412 CA LYS A 90 1.138 6.624 -9.783 1.00 51.02 C ATOM 1413 C LYS A 90 2.544 6.016 -9.619 1.00 73.43 C ATOM 1414 O LYS A 90 3.546 6.664 -9.904 1.00 35.14 O ATOM 1415 CB LYS A 90 0.719 6.599 -11.261 1.00 4.53 C ATOM 1416 CG LYS A 90 0.670 5.203 -11.875 1.00 43.43 C ATOM 1417 CD LYS A 90 0.207 5.239 -13.331 1.00 52.01 C ATOM 1418 CE LYS A 90 0.114 3.840 -13.932 1.00 32.34 C ATOM 1419 NZ LYS A 90 -0.364 3.872 -15.340 1.00 43.33 N ATOM 0 H LYS A 90 1.789 8.628 -9.643 1.00 62.35 H new ATOM 0 HA LYS A 90 0.452 6.016 -9.194 1.00 51.02 H new ATOM 0 HB2 LYS A 90 -0.264 7.060 -11.356 1.00 4.53 H new ATOM 0 HB3 LYS A 90 1.415 7.211 -11.834 1.00 4.53 H new ATOM 0 HG2 LYS A 90 1.658 4.747 -11.819 1.00 43.43 H new ATOM 0 HG3 LYS A 90 -0.005 4.574 -11.294 1.00 43.43 H new ATOM 0 HD2 LYS A 90 -0.767 5.725 -13.391 1.00 52.01 H new ATOM 0 HD3 LYS A 90 0.901 5.841 -13.918 1.00 52.01 H new ATOM 0 HE2 LYS A 90 1.093 3.362 -13.892 1.00 32.34 H new ATOM 0 HE3 LYS A 90 -0.563 3.232 -13.332 1.00 32.34 H new ATOM 0 HZ1 LYS A 90 -0.413 2.902 -15.712 1.00 43.33 H new ATOM 0 HZ2 LYS A 90 -1.309 4.305 -15.376 1.00 43.33 H new ATOM 0 HZ3 LYS A 90 0.296 4.431 -15.918 1.00 43.33 H new ATOM 1433 N ILE A 91 2.603 4.762 -9.171 1.00 72.15 N ATOM 1434 CA ILE A 91 3.878 4.065 -8.946 1.00 65.11 C ATOM 1435 C ILE A 91 4.117 2.959 -9.995 1.00 53.15 C ATOM 1436 O ILE A 91 3.179 2.289 -10.435 1.00 41.02 O ATOM 1437 CB ILE A 91 3.914 3.425 -7.530 1.00 10.02 C ATOM 1438 CG1 ILE A 91 3.658 4.486 -6.447 1.00 52.33 C ATOM 1439 CG2 ILE A 91 5.251 2.723 -7.284 1.00 63.32 C ATOM 1440 CD1 ILE A 91 3.632 3.926 -5.038 1.00 63.53 C ATOM 0 H ILE A 91 1.779 4.201 -8.954 1.00 72.15 H new ATOM 0 HA ILE A 91 4.666 4.813 -9.035 1.00 65.11 H new ATOM 0 HB ILE A 91 3.121 2.679 -7.477 1.00 10.02 H new ATOM 0 HG12 ILE A 91 4.432 5.251 -6.510 1.00 52.33 H new ATOM 0 HG13 ILE A 91 2.707 4.978 -6.651 1.00 52.33 H new ATOM 0 HG21 ILE A 91 5.253 2.283 -6.287 1.00 63.32 H new ATOM 0 HG22 ILE A 91 5.392 1.938 -8.027 1.00 63.32 H new ATOM 0 HG23 ILE A 91 6.062 3.447 -7.362 1.00 63.32 H new ATOM 0 HD11 ILE A 91 3.447 4.733 -4.329 1.00 63.53 H new ATOM 0 HD12 ILE A 91 2.839 3.182 -4.957 1.00 63.53 H new ATOM 0 HD13 ILE A 91 4.591 3.460 -4.814 1.00 63.53 H new ATOM 1452 N ALA A 92 5.374 2.771 -10.401 1.00 52.31 N ATOM 1453 CA ALA A 92 5.735 1.664 -11.292 1.00 71.15 C ATOM 1454 C ALA A 92 5.774 0.331 -10.525 1.00 10.53 C ATOM 1455 O ALA A 92 6.781 -0.015 -9.900 1.00 4.34 O ATOM 1456 CB ALA A 92 7.073 1.935 -11.976 1.00 33.13 C ATOM 0 H ALA A 92 6.156 3.367 -10.129 1.00 52.31 H new ATOM 0 HA ALA A 92 4.968 1.587 -12.063 1.00 71.15 H new ATOM 0 HB1 ALA A 92 7.322 1.101 -12.632 1.00 33.13 H new ATOM 0 HB2 ALA A 92 7.003 2.851 -12.563 1.00 33.13 H new ATOM 0 HB3 ALA A 92 7.851 2.047 -11.221 1.00 33.13 H new ATOM 1462 N LEU A 93 4.668 -0.409 -10.566 1.00 10.45 N ATOM 1463 CA LEU A 93 4.562 -1.690 -9.861 1.00 54.53 C ATOM 1464 C LEU A 93 5.677 -2.658 -10.282 1.00 75.03 C ATOM 1465 O LEU A 93 6.298 -3.304 -9.445 1.00 72.00 O ATOM 1466 CB LEU A 93 3.189 -2.330 -10.113 1.00 32.50 C ATOM 1467 CG LEU A 93 1.987 -1.559 -9.538 1.00 74.15 C ATOM 1468 CD1 LEU A 93 0.674 -2.258 -9.891 1.00 1.20 C ATOM 1469 CD2 LEU A 93 2.127 -1.400 -8.026 1.00 22.23 C ATOM 0 H LEU A 93 3.828 -0.144 -11.081 1.00 10.45 H new ATOM 0 HA LEU A 93 4.673 -1.489 -8.795 1.00 54.53 H new ATOM 0 HB2 LEU A 93 3.049 -2.438 -11.189 1.00 32.50 H new ATOM 0 HB3 LEU A 93 3.192 -3.334 -9.689 1.00 32.50 H new ATOM 0 HG LEU A 93 1.971 -0.566 -9.987 1.00 74.15 H new ATOM 0 HD11 LEU A 93 -0.161 -1.695 -9.474 1.00 1.20 H new ATOM 0 HD12 LEU A 93 0.570 -2.312 -10.975 1.00 1.20 H new ATOM 0 HD13 LEU A 93 0.675 -3.266 -9.476 1.00 1.20 H new ATOM 0 HD21 LEU A 93 1.269 -0.853 -7.637 1.00 22.23 H new ATOM 0 HD22 LEU A 93 2.172 -2.384 -7.559 1.00 22.23 H new ATOM 0 HD23 LEU A 93 3.041 -0.850 -7.801 1.00 22.23 H new ATOM 1481 N ARG A 94 5.943 -2.727 -11.584 1.00 21.13 N ATOM 1482 CA ARG A 94 6.979 -3.623 -12.121 1.00 65.43 C ATOM 1483 C ARG A 94 8.378 -3.280 -11.571 1.00 4.52 C ATOM 1484 O ARG A 94 9.296 -4.099 -11.632 1.00 74.02 O ATOM 1485 CB ARG A 94 6.976 -3.561 -13.654 1.00 51.40 C ATOM 1486 CG ARG A 94 7.386 -2.206 -14.224 1.00 62.33 C ATOM 1487 CD ARG A 94 7.230 -2.154 -15.741 1.00 74.32 C ATOM 1488 NE ARG A 94 7.791 -0.929 -16.306 1.00 33.10 N ATOM 1489 CZ ARG A 94 7.217 -0.216 -17.234 1.00 32.51 C ATOM 1490 NH1 ARG A 94 6.051 -0.542 -17.697 1.00 72.34 N ATOM 1491 NH2 ARG A 94 7.818 0.825 -17.704 1.00 11.33 N ATOM 0 H ARG A 94 5.458 -2.175 -12.292 1.00 21.13 H new ATOM 0 HA ARG A 94 6.745 -4.637 -11.798 1.00 65.43 H new ATOM 0 HB2 ARG A 94 7.652 -4.325 -14.039 1.00 51.40 H new ATOM 0 HB3 ARG A 94 5.978 -3.808 -14.015 1.00 51.40 H new ATOM 0 HG2 ARG A 94 6.779 -1.423 -13.770 1.00 62.33 H new ATOM 0 HG3 ARG A 94 8.423 -2.000 -13.959 1.00 62.33 H new ATOM 0 HD2 ARG A 94 7.723 -3.018 -16.186 1.00 74.32 H new ATOM 0 HD3 ARG A 94 6.173 -2.222 -16.000 1.00 74.32 H new ATOM 0 HE ARG A 94 8.692 -0.610 -15.950 1.00 33.10 H new ATOM 0 HH11 ARG A 94 5.571 -1.366 -17.335 1.00 72.34 H new ATOM 0 HH12 ARG A 94 5.614 0.025 -18.423 1.00 72.34 H new ATOM 0 HH21 ARG A 94 8.738 1.086 -17.349 1.00 11.33 H new ATOM 0 HH22 ARG A 94 7.373 1.386 -18.430 1.00 11.33 H new ATOM 1505 N LYS A 95 8.523 -2.070 -11.032 1.00 51.10 N ATOM 1506 CA LYS A 95 9.791 -1.613 -10.447 1.00 64.10 C ATOM 1507 C LYS A 95 9.883 -1.982 -8.953 1.00 31.20 C ATOM 1508 O LYS A 95 10.907 -2.486 -8.487 1.00 35.14 O ATOM 1509 CB LYS A 95 9.918 -0.089 -10.622 1.00 24.53 C ATOM 1510 CG LYS A 95 11.163 0.525 -9.976 1.00 60.31 C ATOM 1511 CD LYS A 95 11.117 2.054 -10.011 1.00 11.11 C ATOM 1512 CE LYS A 95 11.230 2.612 -11.424 1.00 1.40 C ATOM 1513 NZ LYS A 95 12.610 2.478 -11.962 1.00 54.03 N ATOM 0 H LYS A 95 7.773 -1.380 -10.987 1.00 51.10 H new ATOM 0 HA LYS A 95 10.609 -2.112 -10.966 1.00 64.10 H new ATOM 0 HB2 LYS A 95 9.926 0.142 -11.687 1.00 24.53 H new ATOM 0 HB3 LYS A 95 9.033 0.387 -10.199 1.00 24.53 H new ATOM 0 HG2 LYS A 95 11.243 0.186 -8.943 1.00 60.31 H new ATOM 0 HG3 LYS A 95 12.054 0.175 -10.496 1.00 60.31 H new ATOM 0 HD2 LYS A 95 10.184 2.396 -9.563 1.00 11.11 H new ATOM 0 HD3 LYS A 95 11.928 2.452 -9.401 1.00 11.11 H new ATOM 0 HE2 LYS A 95 10.532 2.089 -12.078 1.00 1.40 H new ATOM 0 HE3 LYS A 95 10.940 3.663 -11.424 1.00 1.40 H new ATOM 0 HZ1 LYS A 95 12.663 2.929 -12.897 1.00 54.03 H new ATOM 0 HZ2 LYS A 95 13.281 2.940 -11.316 1.00 54.03 H new ATOM 0 HZ3 LYS A 95 12.852 1.470 -12.049 1.00 54.03 H new ATOM 1527 N TYR A 96 8.803 -1.729 -8.208 1.00 61.43 N ATOM 1528 CA TYR A 96 8.781 -1.962 -6.751 1.00 22.34 C ATOM 1529 C TYR A 96 7.996 -3.227 -6.364 1.00 73.41 C ATOM 1530 O TYR A 96 7.639 -3.408 -5.200 1.00 2.44 O ATOM 1531 CB TYR A 96 8.190 -0.745 -6.032 1.00 30.10 C ATOM 1532 CG TYR A 96 9.008 0.516 -6.210 1.00 10.44 C ATOM 1533 CD1 TYR A 96 10.212 0.684 -5.535 1.00 30.33 C ATOM 1534 CD2 TYR A 96 8.583 1.532 -7.056 1.00 43.41 C ATOM 1535 CE1 TYR A 96 10.967 1.825 -5.698 1.00 15.32 C ATOM 1536 CE2 TYR A 96 9.332 2.679 -7.222 1.00 23.43 C ATOM 1537 CZ TYR A 96 10.524 2.819 -6.543 1.00 44.23 C ATOM 1538 OH TYR A 96 11.276 3.955 -6.715 1.00 25.41 O ATOM 0 H TYR A 96 7.929 -1.362 -8.585 1.00 61.43 H new ATOM 0 HA TYR A 96 9.814 -2.114 -6.439 1.00 22.34 H new ATOM 0 HB2 TYR A 96 7.180 -0.569 -6.402 1.00 30.10 H new ATOM 0 HB3 TYR A 96 8.105 -0.967 -4.968 1.00 30.10 H new ATOM 0 HD1 TYR A 96 10.561 -0.093 -4.872 1.00 30.33 H new ATOM 0 HD2 TYR A 96 7.652 1.423 -7.592 1.00 43.41 H new ATOM 0 HE1 TYR A 96 11.900 1.939 -5.167 1.00 15.32 H new ATOM 0 HE2 TYR A 96 8.987 3.463 -7.880 1.00 23.43 H new ATOM 0 HH TYR A 96 11.389 4.130 -7.672 1.00 25.41 H new ATOM 1548 N LYS A 97 7.726 -4.083 -7.343 1.00 12.35 N ATOM 1549 CA LYS A 97 7.014 -5.347 -7.108 1.00 24.34 C ATOM 1550 C LYS A 97 7.687 -6.202 -6.013 1.00 55.03 C ATOM 1551 O LYS A 97 8.853 -6.589 -6.133 1.00 41.44 O ATOM 1552 CB LYS A 97 6.931 -6.151 -8.418 1.00 61.32 C ATOM 1553 CG LYS A 97 8.294 -6.454 -9.041 1.00 3.15 C ATOM 1554 CD LYS A 97 8.178 -7.234 -10.347 1.00 33.33 C ATOM 1555 CE LYS A 97 9.553 -7.598 -10.900 1.00 5.45 C ATOM 1556 NZ LYS A 97 10.402 -6.396 -11.124 1.00 52.12 N ATOM 0 H LYS A 97 7.989 -3.928 -8.316 1.00 12.35 H new ATOM 0 HA LYS A 97 6.012 -5.097 -6.759 1.00 24.34 H new ATOM 0 HB2 LYS A 97 6.413 -7.090 -8.225 1.00 61.32 H new ATOM 0 HB3 LYS A 97 6.328 -5.596 -9.137 1.00 61.32 H new ATOM 0 HG2 LYS A 97 8.822 -5.518 -9.226 1.00 3.15 H new ATOM 0 HG3 LYS A 97 8.895 -7.024 -8.333 1.00 3.15 H new ATOM 0 HD2 LYS A 97 7.599 -8.142 -10.180 1.00 33.33 H new ATOM 0 HD3 LYS A 97 7.634 -6.639 -11.081 1.00 33.33 H new ATOM 0 HE2 LYS A 97 10.055 -8.272 -10.206 1.00 5.45 H new ATOM 0 HE3 LYS A 97 9.434 -8.138 -11.839 1.00 5.45 H new ATOM 0 HZ1 LYS A 97 10.855 -6.460 -12.058 1.00 52.12 H new ATOM 0 HZ2 LYS A 97 9.811 -5.541 -11.083 1.00 52.12 H new ATOM 0 HZ3 LYS A 97 11.134 -6.346 -10.387 1.00 52.12 H new ATOM 1570 N TRP A 98 6.956 -6.486 -4.939 1.00 4.55 N ATOM 1571 CA TRP A 98 7.467 -7.357 -3.879 1.00 12.24 C ATOM 1572 C TRP A 98 6.911 -8.779 -3.996 1.00 53.22 C ATOM 1573 O TRP A 98 5.716 -8.983 -4.206 1.00 22.44 O ATOM 1574 CB TRP A 98 7.142 -6.800 -2.489 1.00 20.42 C ATOM 1575 CG TRP A 98 7.526 -7.746 -1.384 1.00 71.24 C ATOM 1576 CD1 TRP A 98 8.761 -8.288 -1.163 1.00 11.31 C ATOM 1577 CD2 TRP A 98 6.667 -8.280 -0.372 1.00 33.21 C ATOM 1578 NE1 TRP A 98 8.725 -9.109 -0.064 1.00 21.43 N ATOM 1579 CE2 TRP A 98 7.450 -9.123 0.439 1.00 53.45 C ATOM 1580 CE3 TRP A 98 5.313 -8.119 -0.068 1.00 52.21 C ATOM 1581 CZ2 TRP A 98 6.921 -9.803 1.535 1.00 23.22 C ATOM 1582 CZ3 TRP A 98 4.788 -8.796 1.017 1.00 14.15 C ATOM 1583 CH2 TRP A 98 5.590 -9.629 1.809 1.00 21.35 C ATOM 0 H TRP A 98 6.014 -6.130 -4.778 1.00 4.55 H new ATOM 0 HA TRP A 98 8.549 -7.392 -4.004 1.00 12.24 H new ATOM 0 HB2 TRP A 98 7.664 -5.853 -2.350 1.00 20.42 H new ATOM 0 HB3 TRP A 98 6.075 -6.588 -2.427 1.00 20.42 H new ATOM 0 HD1 TRP A 98 9.637 -8.098 -1.765 1.00 11.31 H new ATOM 0 HE1 TRP A 98 9.518 -9.625 0.317 1.00 21.43 H new ATOM 0 HE3 TRP A 98 4.687 -7.477 -0.670 1.00 52.21 H new ATOM 0 HZ2 TRP A 98 7.539 -10.444 2.146 1.00 23.22 H new ATOM 0 HZ3 TRP A 98 3.742 -8.681 1.259 1.00 14.15 H new ATOM 0 HH2 TRP A 98 5.151 -10.143 2.651 1.00 21.35 H new ATOM 1594 N GLN A 99 7.797 -9.755 -3.850 1.00 2.14 N ATOM 1595 CA GLN A 99 7.416 -11.165 -3.828 1.00 53.20 C ATOM 1596 C GLN A 99 7.872 -11.826 -2.516 1.00 63.01 C ATOM 1597 O GLN A 99 9.060 -11.816 -2.192 1.00 11.31 O ATOM 1598 CB GLN A 99 8.031 -11.882 -5.034 1.00 52.23 C ATOM 1599 CG GLN A 99 7.470 -11.405 -6.373 1.00 4.52 C ATOM 1600 CD GLN A 99 8.088 -12.108 -7.571 1.00 3.21 C ATOM 1601 OE1 GLN A 99 9.246 -12.515 -7.547 1.00 62.30 O ATOM 1602 NE2 GLN A 99 7.322 -12.256 -8.632 1.00 44.24 N ATOM 0 H GLN A 99 8.799 -9.594 -3.744 1.00 2.14 H new ATOM 0 HA GLN A 99 6.330 -11.241 -3.885 1.00 53.20 H new ATOM 0 HB2 GLN A 99 9.110 -11.731 -5.026 1.00 52.23 H new ATOM 0 HB3 GLN A 99 7.859 -12.954 -4.937 1.00 52.23 H new ATOM 0 HG2 GLN A 99 6.392 -11.564 -6.384 1.00 4.52 H new ATOM 0 HG3 GLN A 99 7.635 -10.332 -6.466 1.00 4.52 H new ATOM 0 HE21 GLN A 99 6.364 -11.907 -8.622 1.00 44.24 H new ATOM 0 HE22 GLN A 99 7.687 -12.720 -9.464 1.00 44.24 H new ATOM 1611 N PRO A 100 6.933 -12.410 -1.737 1.00 61.43 N ATOM 1612 CA PRO A 100 7.253 -13.037 -0.436 1.00 0.32 C ATOM 1613 C PRO A 100 8.261 -14.195 -0.558 1.00 63.25 C ATOM 1614 O PRO A 100 8.943 -14.544 0.407 1.00 63.32 O ATOM 1615 CB PRO A 100 5.888 -13.551 0.064 1.00 24.41 C ATOM 1616 CG PRO A 100 5.028 -13.620 -1.156 1.00 20.35 C ATOM 1617 CD PRO A 100 5.494 -12.503 -2.049 1.00 41.51 C ATOM 0 HA PRO A 100 7.731 -12.330 0.242 1.00 0.32 H new ATOM 0 HB2 PRO A 100 5.984 -14.529 0.535 1.00 24.41 H new ATOM 0 HB3 PRO A 100 5.462 -12.879 0.809 1.00 24.41 H new ATOM 0 HG2 PRO A 100 5.129 -14.585 -1.652 1.00 20.35 H new ATOM 0 HG3 PRO A 100 3.975 -13.502 -0.900 1.00 20.35 H new ATOM 0 HD2 PRO A 100 5.323 -12.729 -3.101 1.00 41.51 H new ATOM 0 HD3 PRO A 100 4.973 -11.570 -1.834 1.00 41.51 H new ATOM 1625 N LEU A 101 8.346 -14.786 -1.748 1.00 63.12 N ATOM 1626 CA LEU A 101 9.286 -15.882 -2.021 1.00 42.11 C ATOM 1627 C LEU A 101 10.217 -15.522 -3.194 1.00 44.24 C ATOM 1628 O LEU A 101 10.230 -14.380 -3.659 1.00 11.33 O ATOM 1629 CB LEU A 101 8.513 -17.176 -2.334 1.00 4.20 C ATOM 1630 CG LEU A 101 7.542 -17.654 -1.239 1.00 31.24 C ATOM 1631 CD1 LEU A 101 6.792 -18.904 -1.691 1.00 12.32 C ATOM 1632 CD2 LEU A 101 8.282 -17.915 0.072 1.00 51.52 C ATOM 0 H LEU A 101 7.771 -14.524 -2.549 1.00 63.12 H new ATOM 0 HA LEU A 101 9.898 -16.040 -1.133 1.00 42.11 H new ATOM 0 HB2 LEU A 101 7.949 -17.027 -3.255 1.00 4.20 H new ATOM 0 HB3 LEU A 101 9.234 -17.971 -2.527 1.00 4.20 H new ATOM 0 HG LEU A 101 6.814 -16.861 -1.065 1.00 31.24 H new ATOM 0 HD11 LEU A 101 6.111 -19.225 -0.902 1.00 12.32 H new ATOM 0 HD12 LEU A 101 6.223 -18.680 -2.593 1.00 12.32 H new ATOM 0 HD13 LEU A 101 7.506 -19.701 -1.901 1.00 12.32 H new ATOM 0 HD21 LEU A 101 7.574 -18.251 0.829 1.00 51.52 H new ATOM 0 HD22 LEU A 101 9.039 -18.684 -0.084 1.00 51.52 H new ATOM 0 HD23 LEU A 101 8.762 -16.996 0.408 1.00 51.52 H new ATOM 1644 N GLU A 102 11.002 -16.492 -3.659 1.00 3.51 N ATOM 1645 CA GLU A 102 11.920 -16.283 -4.794 1.00 20.24 C ATOM 1646 C GLU A 102 11.370 -16.894 -6.108 1.00 35.25 C ATOM 1647 O GLU A 102 11.986 -17.833 -6.659 1.00 37.31 O ATOM 1648 CB GLU A 102 13.329 -16.833 -4.456 1.00 20.35 C ATOM 1649 CG GLU A 102 13.359 -17.949 -3.406 1.00 74.21 C ATOM 1650 CD GLU A 102 12.589 -19.200 -3.805 1.00 52.04 C ATOM 1651 OE1 GLU A 102 13.187 -20.107 -4.420 1.00 32.12 O ATOM 1652 OE2 GLU A 102 11.385 -19.297 -3.474 1.00 23.21 O ATOM 0 H GLU A 102 11.026 -17.435 -3.271 1.00 3.51 H new ATOM 0 HA GLU A 102 12.002 -15.209 -4.963 1.00 20.24 H new ATOM 0 HB2 GLU A 102 13.785 -17.206 -5.373 1.00 20.35 H new ATOM 0 HB3 GLU A 102 13.949 -16.008 -4.104 1.00 20.35 H new ATOM 0 HG2 GLU A 102 14.396 -18.221 -3.210 1.00 74.21 H new ATOM 0 HG3 GLU A 102 12.948 -17.565 -2.472 1.00 74.21 H new TER 1659 GLU A 102