USER MOD reduce.3.24.130724 H: found=0, std=0, add=1069, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1063 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 110 HIS : no HD1:sc= -0.782 K(o=-1.8,f=-4.4) USER MOD Set 1.2: A 112 GLN : amide:sc= -0.97 K(o=-1.8,f=-13!) USER MOD Single : A 6 THR OG1 : rot 127:sc= 0.799 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.234 USER MOD Single : A -2 MET CE :methyl -172:sc= -0.0208 (180deg=-0.131) USER MOD Single : A -2 MET N :NH3+ -116:sc= 0.116 (180deg=-0.00911) USER MOD Single : A 11 LYS NZ :NH3+ -120:sc= -0.126 (180deg=-0.783) USER MOD Single : A 21 SER OG : rot -13:sc= 0.531 USER MOD Single : A 25 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.6) USER MOD Single : A 27 SER OG : rot 88:sc= 1.54 USER MOD Single : A 29 CYS SG : rot -169:sc= 0.0274 USER MOD Single : A 31 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-5.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= -4.27! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 0.00345 (180deg=-0.0167) USER MOD Single : A 43AASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 175:sc= 0.119 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 147:sc= -0.314 (180deg=-1.14) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 115:sc= 0.368 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -139:sc= 0.0742 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 76 GLN : amide:sc= -1.68 K(o=-1.7,f=-7!) USER MOD Single : A 78 MET CE :methyl -169:sc= -2.41 (180deg=-2.74) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 91 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.078) USER MOD Single : A 93 LYS NZ :NH3+ -163:sc= -0.487 (180deg=-0.536) USER MOD Single : A 95 GLN : amide:sc= -2.54 K(o=-2.5,f=-7.1!) USER MOD Single : A 96 THR OG1 : rot 60:sc= 0.93 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.0621 USER MOD Single : A 105 GLN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 108 ASN : amide:sc= -0.202 K(o=-0.2,f=-0.77) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B -4 SER OG : rot 21:sc= 0.467! USER MOD Single : B -8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -9 GLY N :NH3+ -113:sc= 0.0619 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 -0.080 -7.589 -3.707 1.00 54.41 N ATOM 2 CA MET A -2 0.804 -7.323 -4.836 1.00 12.31 C ATOM 3 C MET A -2 0.897 -8.539 -5.752 1.00 22.03 C ATOM 4 O MET A -2 0.246 -9.556 -5.516 1.00 73.22 O ATOM 5 CB MET A -2 2.198 -6.936 -4.339 1.00 40.30 C ATOM 6 CG MET A -2 2.894 -8.041 -3.561 1.00 45.44 C ATOM 7 SD MET A -2 4.689 -7.984 -3.731 1.00 33.42 S ATOM 8 CE MET A -2 5.146 -9.561 -3.014 1.00 51.02 C ATOM 0 H1 MET A -2 -0.904 -6.957 -3.755 1.00 54.41 H new ATOM 0 H2 MET A -2 -0.399 -8.578 -3.742 1.00 54.41 H new ATOM 0 H3 MET A -2 0.433 -7.422 -2.818 1.00 54.41 H new ATOM 0 HA MET A -2 0.386 -6.493 -5.405 1.00 12.31 H new ATOM 0 HB2 MET A -2 2.816 -6.660 -5.194 1.00 40.30 H new ATOM 0 HB3 MET A -2 2.117 -6.053 -3.706 1.00 40.30 H new ATOM 0 HG2 MET A -2 2.630 -7.960 -2.507 1.00 45.44 H new ATOM 0 HG3 MET A -2 2.530 -9.009 -3.907 1.00 45.44 H new ATOM 0 HE1 MET A -2 6.230 -9.615 -2.915 1.00 51.02 H new ATOM 0 HE2 MET A -2 4.687 -9.660 -2.031 1.00 51.02 H new ATOM 0 HE3 MET A -2 4.800 -10.368 -3.659 1.00 51.02 H new ATOM 18 N ALA A -1 1.711 -8.427 -6.796 1.00 51.44 N ATOM 19 CA ALA A -1 1.890 -9.518 -7.746 1.00 2.11 C ATOM 20 C ALA A -1 3.093 -10.378 -7.373 1.00 51.01 C ATOM 21 O ALA A -1 3.981 -9.957 -6.632 1.00 23.42 O ATOM 22 CB ALA A -1 2.048 -8.970 -9.156 1.00 51.54 C ATOM 0 H ALA A -1 2.257 -7.591 -7.006 1.00 51.44 H new ATOM 0 HA ALA A -1 1.001 -10.147 -7.710 1.00 2.11 H new ATOM 0 HB1 ALA A -1 2.181 -9.796 -9.855 1.00 51.54 H new ATOM 0 HB2 ALA A -1 1.157 -8.404 -9.428 1.00 51.54 H new ATOM 0 HB3 ALA A -1 2.919 -8.317 -9.197 1.00 51.54 H new ATOM 28 N PRO A 1 3.124 -11.612 -7.897 1.00 60.23 N ATOM 29 CA PRO A 1 4.213 -12.557 -7.633 1.00 31.31 C ATOM 30 C PRO A 1 5.520 -12.136 -8.296 1.00 73.54 C ATOM 31 O PRO A 1 5.593 -12.006 -9.519 1.00 63.00 O ATOM 32 CB PRO A 1 3.702 -13.866 -8.240 1.00 70.15 C ATOM 33 CG PRO A 1 2.738 -13.443 -9.295 1.00 22.41 C ATOM 34 CD PRO A 1 2.099 -12.180 -8.789 1.00 51.11 C ATOM 0 HA PRO A 1 4.444 -12.626 -6.570 1.00 31.31 H new ATOM 0 HB2 PRO A 1 4.518 -14.452 -8.662 1.00 70.15 H new ATOM 0 HB3 PRO A 1 3.218 -14.489 -7.488 1.00 70.15 H new ATOM 0 HG2 PRO A 1 3.248 -13.270 -10.243 1.00 22.41 H new ATOM 0 HG3 PRO A 1 1.989 -14.215 -9.472 1.00 22.41 H new ATOM 0 HD2 PRO A 1 1.854 -11.499 -9.604 1.00 51.11 H new ATOM 0 HD3 PRO A 1 1.171 -12.385 -8.255 1.00 51.11 H new ATOM 42 N LEU A 2 6.549 -11.926 -7.484 1.00 2.32 N ATOM 43 CA LEU A 2 7.855 -11.520 -7.992 1.00 51.14 C ATOM 44 C LEU A 2 8.920 -12.556 -7.647 1.00 11.42 C ATOM 45 O LEU A 2 8.773 -13.318 -6.691 1.00 54.12 O ATOM 46 CB LEU A 2 8.247 -10.157 -7.418 1.00 71.40 C ATOM 47 CG LEU A 2 8.827 -10.167 -6.003 1.00 74.11 C ATOM 48 CD1 LEU A 2 10.324 -9.902 -6.038 1.00 14.52 C ATOM 49 CD2 LEU A 2 8.121 -9.139 -5.131 1.00 31.34 C ATOM 0 H LEU A 2 6.505 -12.030 -6.470 1.00 2.32 H new ATOM 0 HA LEU A 2 7.787 -11.444 -9.077 1.00 51.14 H new ATOM 0 HB2 LEU A 2 8.978 -9.700 -8.086 1.00 71.40 H new ATOM 0 HB3 LEU A 2 7.366 -9.516 -7.424 1.00 71.40 H new ATOM 0 HG LEU A 2 8.664 -11.154 -5.570 1.00 74.11 H new ATOM 0 HD11 LEU A 2 10.719 -9.913 -5.022 1.00 14.52 H new ATOM 0 HD12 LEU A 2 10.817 -10.675 -6.627 1.00 14.52 H new ATOM 0 HD13 LEU A 2 10.511 -8.928 -6.490 1.00 14.52 H new ATOM 0 HD21 LEU A 2 8.546 -9.160 -4.128 1.00 31.34 H new ATOM 0 HD22 LEU A 2 8.252 -8.146 -5.560 1.00 31.34 H new ATOM 0 HD23 LEU A 2 7.058 -9.374 -5.079 1.00 31.34 H new ATOM 61 N PHE A 3 9.994 -12.576 -8.429 1.00 72.22 N ATOM 62 CA PHE A 3 11.085 -13.517 -8.205 1.00 71.54 C ATOM 63 C PHE A 3 12.437 -12.843 -8.418 1.00 61.30 C ATOM 64 O PHE A 3 12.521 -11.772 -9.017 1.00 51.33 O ATOM 65 CB PHE A 3 10.949 -14.720 -9.141 1.00 62.24 C ATOM 66 CG PHE A 3 9.723 -15.547 -8.881 1.00 73.10 C ATOM 67 CD1 PHE A 3 8.484 -15.138 -9.347 1.00 75.10 C ATOM 68 CD2 PHE A 3 9.809 -16.734 -8.171 1.00 12.42 C ATOM 69 CE1 PHE A 3 7.353 -15.897 -9.108 1.00 43.30 C ATOM 70 CE2 PHE A 3 8.682 -17.497 -7.929 1.00 50.20 C ATOM 71 CZ PHE A 3 7.453 -17.078 -8.399 1.00 72.13 C ATOM 0 H PHE A 3 10.132 -11.951 -9.223 1.00 72.22 H new ATOM 0 HA PHE A 3 11.029 -13.861 -7.172 1.00 71.54 H new ATOM 0 HB2 PHE A 3 10.927 -14.367 -10.172 1.00 62.24 H new ATOM 0 HB3 PHE A 3 11.832 -15.351 -9.039 1.00 62.24 H new ATOM 0 HD1 PHE A 3 8.401 -14.216 -9.903 1.00 75.10 H new ATOM 0 HD2 PHE A 3 10.768 -17.067 -7.802 1.00 12.42 H new ATOM 0 HE1 PHE A 3 6.393 -15.567 -9.475 1.00 43.30 H new ATOM 0 HE2 PHE A 3 8.763 -18.419 -7.373 1.00 50.20 H new ATOM 0 HZ PHE A 3 6.571 -17.673 -8.212 1.00 72.13 H new ATOM 81 N ALA A 4 13.493 -13.479 -7.922 1.00 23.33 N ATOM 82 CA ALA A 4 14.842 -12.943 -8.058 1.00 53.21 C ATOM 83 C ALA A 4 15.822 -14.027 -8.492 1.00 44.34 C ATOM 84 O ALA A 4 15.505 -15.216 -8.458 1.00 13.41 O ATOM 85 CB ALA A 4 15.294 -12.313 -6.749 1.00 10.10 C ATOM 0 H ALA A 4 13.440 -14.367 -7.422 1.00 23.33 H new ATOM 0 HA ALA A 4 14.825 -12.175 -8.831 1.00 53.21 H new ATOM 0 HB1 ALA A 4 16.303 -11.917 -6.865 1.00 10.10 H new ATOM 0 HB2 ALA A 4 14.615 -11.503 -6.481 1.00 10.10 H new ATOM 0 HB3 ALA A 4 15.288 -13.067 -5.962 1.00 10.10 H new ATOM 91 N VAL A 5 17.016 -13.609 -8.902 1.00 51.21 N ATOM 92 CA VAL A 5 18.044 -14.544 -9.343 1.00 74.32 C ATOM 93 C VAL A 5 19.363 -14.291 -8.623 1.00 1.21 C ATOM 94 O VAL A 5 19.854 -13.162 -8.581 1.00 64.23 O ATOM 95 CB VAL A 5 18.274 -14.449 -10.863 1.00 44.10 C ATOM 96 CG1 VAL A 5 18.690 -13.038 -11.253 1.00 34.52 C ATOM 97 CG2 VAL A 5 19.318 -15.463 -11.308 1.00 13.23 C ATOM 0 H VAL A 5 17.295 -12.628 -8.938 1.00 51.21 H new ATOM 0 HA VAL A 5 17.687 -15.545 -9.099 1.00 74.32 H new ATOM 0 HB VAL A 5 17.337 -14.679 -11.370 1.00 44.10 H new ATOM 0 HG11 VAL A 5 18.848 -12.990 -12.330 1.00 34.52 H new ATOM 0 HG12 VAL A 5 17.906 -12.336 -10.970 1.00 34.52 H new ATOM 0 HG13 VAL A 5 19.615 -12.776 -10.739 1.00 34.52 H new ATOM 0 HG21 VAL A 5 19.468 -15.382 -12.385 1.00 13.23 H new ATOM 0 HG22 VAL A 5 20.259 -15.266 -10.795 1.00 13.23 H new ATOM 0 HG23 VAL A 5 18.976 -16.469 -11.064 1.00 13.23 H new ATOM 107 N THR A 6 19.934 -15.349 -8.056 1.00 4.11 N ATOM 108 CA THR A 6 21.197 -15.242 -7.336 1.00 42.32 C ATOM 109 C THR A 6 22.361 -15.025 -8.297 1.00 31.31 C ATOM 110 O THR A 6 22.429 -15.649 -9.357 1.00 31.54 O ATOM 111 CB THR A 6 21.471 -16.500 -6.492 1.00 20.45 C ATOM 112 OG1 THR A 6 20.844 -17.639 -7.092 1.00 31.13 O ATOM 113 CG2 THR A 6 20.956 -16.321 -5.071 1.00 63.43 C ATOM 0 H THR A 6 19.542 -16.290 -8.081 1.00 4.11 H new ATOM 0 HA THR A 6 21.111 -14.381 -6.673 1.00 42.32 H new ATOM 0 HB THR A 6 22.549 -16.657 -6.454 1.00 20.45 H new ATOM 0 HG1 THR A 6 21.505 -18.353 -7.208 1.00 31.13 H new ATOM 0 HG21 THR A 6 21.161 -17.222 -4.494 1.00 63.43 H new ATOM 0 HG22 THR A 6 21.457 -15.471 -4.607 1.00 63.43 H new ATOM 0 HG23 THR A 6 19.881 -16.141 -5.094 1.00 63.43 H new ATOM 121 N LEU A 7 23.275 -14.138 -7.921 1.00 23.24 N ATOM 122 CA LEU A 7 24.438 -13.840 -8.749 1.00 43.22 C ATOM 123 C LEU A 7 25.726 -14.279 -8.059 1.00 52.20 C ATOM 124 O LEU A 7 26.778 -14.379 -8.691 1.00 12.32 O ATOM 125 CB LEU A 7 24.497 -12.343 -9.060 1.00 23.23 C ATOM 126 CG LEU A 7 23.214 -11.721 -9.611 1.00 11.24 C ATOM 127 CD1 LEU A 7 23.276 -10.204 -9.522 1.00 54.24 C ATOM 128 CD2 LEU A 7 22.980 -12.164 -11.047 1.00 62.35 C ATOM 0 H LEU A 7 23.233 -13.612 -7.048 1.00 23.24 H new ATOM 0 HA LEU A 7 24.341 -14.395 -9.682 1.00 43.22 H new ATOM 0 HB2 LEU A 7 24.771 -11.813 -8.148 1.00 23.23 H new ATOM 0 HB3 LEU A 7 25.298 -12.173 -9.780 1.00 23.23 H new ATOM 0 HG LEU A 7 22.376 -12.066 -9.005 1.00 11.24 H new ATOM 0 HD11 LEU A 7 22.354 -9.778 -9.919 1.00 54.24 H new ATOM 0 HD12 LEU A 7 23.395 -9.905 -8.481 1.00 54.24 H new ATOM 0 HD13 LEU A 7 24.123 -9.840 -10.103 1.00 54.24 H new ATOM 0 HD21 LEU A 7 22.062 -11.711 -11.422 1.00 62.35 H new ATOM 0 HD22 LEU A 7 23.820 -11.849 -11.666 1.00 62.35 H new ATOM 0 HD23 LEU A 7 22.890 -13.250 -11.083 1.00 62.35 H new ATOM 140 N TYR A 8 25.634 -14.541 -6.760 1.00 65.42 N ATOM 141 CA TYR A 8 26.792 -14.970 -5.984 1.00 10.22 C ATOM 142 C TYR A 8 26.421 -16.104 -5.033 1.00 60.25 C ATOM 143 O TYR A 8 25.253 -16.283 -4.690 1.00 2.35 O ATOM 144 CB TYR A 8 27.365 -13.793 -5.192 1.00 63.22 C ATOM 145 CG TYR A 8 27.729 -12.604 -6.053 1.00 33.23 C ATOM 146 CD1 TYR A 8 26.754 -11.722 -6.501 1.00 13.34 C ATOM 147 CD2 TYR A 8 29.048 -12.363 -6.417 1.00 12.11 C ATOM 148 CE1 TYR A 8 27.081 -10.635 -7.287 1.00 43.45 C ATOM 149 CE2 TYR A 8 29.385 -11.278 -7.202 1.00 52.53 C ATOM 150 CZ TYR A 8 28.398 -10.417 -7.635 1.00 41.35 C ATOM 151 OH TYR A 8 28.729 -9.334 -8.418 1.00 73.10 O ATOM 0 H TYR A 8 24.771 -14.464 -6.222 1.00 65.42 H new ATOM 0 HA TYR A 8 27.548 -15.335 -6.679 1.00 10.22 H new ATOM 0 HB2 TYR A 8 26.636 -13.480 -4.444 1.00 63.22 H new ATOM 0 HB3 TYR A 8 28.252 -14.126 -4.653 1.00 63.22 H new ATOM 0 HD1 TYR A 8 25.722 -11.889 -6.230 1.00 13.34 H new ATOM 0 HD2 TYR A 8 29.823 -13.036 -6.080 1.00 12.11 H new ATOM 0 HE1 TYR A 8 26.310 -9.959 -7.627 1.00 43.45 H new ATOM 0 HE2 TYR A 8 30.415 -11.105 -7.475 1.00 52.53 H new ATOM 0 HH TYR A 8 28.095 -8.605 -8.253 1.00 73.10 H new ATOM 161 N GLU A 9 27.425 -16.867 -4.613 1.00 20.41 N ATOM 162 CA GLU A 9 27.205 -17.985 -3.702 1.00 52.33 C ATOM 163 C GLU A 9 27.147 -17.504 -2.255 1.00 64.11 C ATOM 164 O GLU A 9 28.173 -17.181 -1.655 1.00 50.14 O ATOM 165 CB GLU A 9 28.313 -19.027 -3.861 1.00 64.34 C ATOM 166 CG GLU A 9 28.276 -20.121 -2.808 1.00 31.35 C ATOM 167 CD GLU A 9 28.702 -21.471 -3.352 1.00 44.31 C ATOM 168 OE1 GLU A 9 29.923 -21.694 -3.494 1.00 1.41 O ATOM 169 OE2 GLU A 9 27.816 -22.303 -3.636 1.00 64.35 O ATOM 0 H GLU A 9 28.398 -16.732 -4.888 1.00 20.41 H new ATOM 0 HA GLU A 9 26.248 -18.442 -3.953 1.00 52.33 H new ATOM 0 HB2 GLU A 9 28.233 -19.482 -4.848 1.00 64.34 H new ATOM 0 HB3 GLU A 9 29.280 -18.526 -3.818 1.00 64.34 H new ATOM 0 HG2 GLU A 9 28.929 -19.845 -1.980 1.00 31.35 H new ATOM 0 HG3 GLU A 9 27.266 -20.198 -2.405 1.00 31.35 H new ATOM 176 N PHE A 10 25.941 -17.459 -1.700 1.00 73.13 N ATOM 177 CA PHE A 10 25.748 -17.017 -0.324 1.00 40.52 C ATOM 178 C PHE A 10 25.860 -18.190 0.645 1.00 0.41 C ATOM 179 O PHE A 10 24.942 -19.001 0.766 1.00 55.43 O ATOM 180 CB PHE A 10 24.384 -16.341 -0.170 1.00 32.04 C ATOM 181 CG PHE A 10 24.181 -15.700 1.173 1.00 4.53 C ATOM 182 CD1 PHE A 10 24.909 -14.578 1.537 1.00 41.23 C ATOM 183 CD2 PHE A 10 23.263 -16.218 2.072 1.00 11.30 C ATOM 184 CE1 PHE A 10 24.725 -13.986 2.772 1.00 22.22 C ATOM 185 CE2 PHE A 10 23.074 -15.630 3.309 1.00 64.02 C ATOM 186 CZ PHE A 10 23.806 -14.512 3.659 1.00 71.12 C ATOM 0 H PHE A 10 25.082 -17.723 -2.182 1.00 73.13 H new ATOM 0 HA PHE A 10 26.531 -16.297 -0.087 1.00 40.52 H new ATOM 0 HB2 PHE A 10 24.273 -15.583 -0.946 1.00 32.04 H new ATOM 0 HB3 PHE A 10 23.600 -17.081 -0.333 1.00 32.04 H new ATOM 0 HD1 PHE A 10 25.628 -14.162 0.847 1.00 41.23 H new ATOM 0 HD2 PHE A 10 22.688 -17.092 1.803 1.00 11.30 H new ATOM 0 HE1 PHE A 10 25.299 -13.113 3.044 1.00 22.22 H new ATOM 0 HE2 PHE A 10 22.355 -16.044 4.001 1.00 64.02 H new ATOM 0 HZ PHE A 10 23.660 -14.050 4.624 1.00 71.12 H new ATOM 196 N LYS A 11 26.993 -18.274 1.334 1.00 11.33 N ATOM 197 CA LYS A 11 27.227 -19.346 2.294 1.00 4.01 C ATOM 198 C LYS A 11 26.519 -19.059 3.614 1.00 22.12 C ATOM 199 O LYS A 11 26.886 -18.134 4.338 1.00 24.21 O ATOM 200 CB LYS A 11 28.728 -19.522 2.536 1.00 22.51 C ATOM 201 CG LYS A 11 29.457 -20.183 1.379 1.00 44.32 C ATOM 202 CD LYS A 11 30.861 -19.626 1.214 1.00 44.42 C ATOM 203 CE LYS A 11 31.822 -20.682 0.689 1.00 51.43 C ATOM 204 NZ LYS A 11 31.957 -21.826 1.632 1.00 62.34 N ATOM 0 H LYS A 11 27.764 -17.612 1.245 1.00 11.33 H new ATOM 0 HA LYS A 11 26.821 -20.268 1.878 1.00 4.01 H new ATOM 0 HB2 LYS A 11 29.174 -18.546 2.725 1.00 22.51 H new ATOM 0 HB3 LYS A 11 28.875 -20.119 3.436 1.00 22.51 H new ATOM 0 HG2 LYS A 11 29.509 -21.259 1.547 1.00 44.32 H new ATOM 0 HG3 LYS A 11 28.894 -20.031 0.458 1.00 44.32 H new ATOM 0 HD2 LYS A 11 30.839 -18.779 0.528 1.00 44.42 H new ATOM 0 HD3 LYS A 11 31.220 -19.251 2.172 1.00 44.42 H new ATOM 0 HE2 LYS A 11 31.470 -21.046 -0.276 1.00 51.43 H new ATOM 0 HE3 LYS A 11 32.800 -20.232 0.522 1.00 51.43 H new ATOM 0 HZ1 LYS A 11 32.949 -21.914 1.932 1.00 62.34 H new ATOM 0 HZ2 LYS A 11 31.357 -21.662 2.465 1.00 62.34 H new ATOM 0 HZ3 LYS A 11 31.660 -22.703 1.159 1.00 62.34 H new ATOM 218 N ALA A 12 25.503 -19.859 3.922 1.00 63.05 N ATOM 219 CA ALA A 12 24.747 -19.693 5.156 1.00 15.21 C ATOM 220 C ALA A 12 25.569 -20.123 6.366 1.00 11.42 C ATOM 221 O ALA A 12 26.574 -20.819 6.229 1.00 41.23 O ATOM 222 CB ALA A 12 23.448 -20.484 5.090 1.00 44.41 C ATOM 0 H ALA A 12 25.185 -20.629 3.333 1.00 63.05 H new ATOM 0 HA ALA A 12 24.510 -18.635 5.268 1.00 15.21 H new ATOM 0 HB1 ALA A 12 22.893 -20.351 6.019 1.00 44.41 H new ATOM 0 HB2 ALA A 12 22.847 -20.127 4.254 1.00 44.41 H new ATOM 0 HB3 ALA A 12 23.673 -21.541 4.950 1.00 44.41 H new ATOM 228 N GLU A 13 25.135 -19.702 7.550 1.00 30.35 N ATOM 229 CA GLU A 13 25.833 -20.043 8.784 1.00 24.52 C ATOM 230 C GLU A 13 24.929 -20.842 9.718 1.00 30.43 C ATOM 231 O GLU A 13 25.398 -21.687 10.481 1.00 21.12 O ATOM 232 CB GLU A 13 26.319 -18.775 9.489 1.00 65.23 C ATOM 233 CG GLU A 13 25.204 -17.801 9.826 1.00 14.42 C ATOM 234 CD GLU A 13 25.660 -16.689 10.752 1.00 73.44 C ATOM 235 OE1 GLU A 13 26.886 -16.538 10.937 1.00 35.31 O ATOM 236 OE2 GLU A 13 24.792 -15.971 11.290 1.00 33.42 O ATOM 0 H GLU A 13 24.304 -19.125 7.681 1.00 30.35 H new ATOM 0 HA GLU A 13 26.694 -20.659 8.525 1.00 24.52 H new ATOM 0 HB2 GLU A 13 26.835 -19.055 10.407 1.00 65.23 H new ATOM 0 HB3 GLU A 13 27.049 -18.273 8.854 1.00 65.23 H new ATOM 0 HG2 GLU A 13 24.816 -17.366 8.905 1.00 14.42 H new ATOM 0 HG3 GLU A 13 24.382 -18.343 10.293 1.00 14.42 H new ATOM 243 N ARG A 14 23.630 -20.568 9.652 1.00 22.42 N ATOM 244 CA ARG A 14 22.660 -21.260 10.493 1.00 51.54 C ATOM 245 C ARG A 14 21.396 -21.590 9.704 1.00 32.04 C ATOM 246 O ARG A 14 21.329 -21.364 8.496 1.00 31.00 O ATOM 247 CB ARG A 14 22.306 -20.403 11.710 1.00 55.15 C ATOM 248 CG ARG A 14 23.493 -20.102 12.609 1.00 21.54 C ATOM 249 CD ARG A 14 23.711 -21.207 13.632 1.00 52.03 C ATOM 250 NE ARG A 14 22.708 -21.176 14.693 1.00 4.33 N ATOM 251 CZ ARG A 14 22.772 -20.360 15.740 1.00 33.30 C ATOM 252 NH1 ARG A 14 23.784 -19.513 15.864 1.00 21.24 N ATOM 253 NH2 ARG A 14 21.821 -20.391 16.665 1.00 53.11 N ATOM 0 H ARG A 14 23.225 -19.872 9.025 1.00 22.42 H new ATOM 0 HA ARG A 14 23.110 -22.193 10.833 1.00 51.54 H new ATOM 0 HB2 ARG A 14 21.872 -19.463 11.368 1.00 55.15 H new ATOM 0 HB3 ARG A 14 21.540 -20.914 12.293 1.00 55.15 H new ATOM 0 HG2 ARG A 14 24.390 -19.985 12.002 1.00 21.54 H new ATOM 0 HG3 ARG A 14 23.330 -19.155 13.124 1.00 21.54 H new ATOM 0 HD2 ARG A 14 23.680 -22.175 13.132 1.00 52.03 H new ATOM 0 HD3 ARG A 14 24.704 -21.106 14.069 1.00 52.03 H new ATOM 0 HE ARG A 14 21.916 -21.815 14.627 1.00 4.33 H new ATOM 0 HH11 ARG A 14 24.516 -19.486 15.155 1.00 21.24 H new ATOM 0 HH12 ARG A 14 23.830 -18.888 16.669 1.00 21.24 H new ATOM 0 HH21 ARG A 14 21.041 -21.041 16.573 1.00 53.11 H new ATOM 0 HH22 ARG A 14 21.870 -19.765 17.468 1.00 53.11 H new ATOM 267 N ASP A 15 20.397 -22.126 10.396 1.00 33.34 N ATOM 268 CA ASP A 15 19.134 -22.488 9.762 1.00 45.42 C ATOM 269 C ASP A 15 18.418 -21.249 9.233 1.00 31.02 C ATOM 270 O ASP A 15 17.833 -21.273 8.150 1.00 33.03 O ATOM 271 CB ASP A 15 18.235 -23.229 10.752 1.00 11.22 C ATOM 272 CG ASP A 15 18.929 -24.417 11.387 1.00 22.44 C ATOM 273 OD1 ASP A 15 19.787 -24.202 12.269 1.00 13.50 O ATOM 274 OD2 ASP A 15 18.616 -25.564 11.002 1.00 12.53 O ATOM 0 H ASP A 15 20.437 -22.320 11.397 1.00 33.34 H new ATOM 0 HA ASP A 15 19.353 -23.146 8.921 1.00 45.42 H new ATOM 0 HB2 ASP A 15 17.914 -22.540 11.533 1.00 11.22 H new ATOM 0 HB3 ASP A 15 17.336 -23.569 10.238 1.00 11.22 H new ATOM 279 N ASP A 16 18.467 -20.169 10.005 1.00 41.10 N ATOM 280 CA ASP A 16 17.823 -18.920 9.615 1.00 73.32 C ATOM 281 C ASP A 16 18.295 -18.473 8.235 1.00 3.00 C ATOM 282 O ASP A 16 17.570 -17.792 7.511 1.00 11.44 O ATOM 283 CB ASP A 16 18.112 -17.828 10.646 1.00 64.24 C ATOM 284 CG ASP A 16 19.553 -17.846 11.119 1.00 54.14 C ATOM 285 OD1 ASP A 16 20.392 -17.168 10.490 1.00 54.12 O ATOM 286 OD2 ASP A 16 19.841 -18.538 12.117 1.00 21.53 O ATOM 0 H ASP A 16 18.946 -20.133 10.905 1.00 41.10 H new ATOM 0 HA ASP A 16 16.748 -19.092 9.573 1.00 73.32 H new ATOM 0 HB2 ASP A 16 17.887 -16.854 10.212 1.00 64.24 H new ATOM 0 HB3 ASP A 16 17.450 -17.956 11.502 1.00 64.24 H new ATOM 291 N GLU A 17 19.516 -18.860 7.879 1.00 60.43 N ATOM 292 CA GLU A 17 20.085 -18.497 6.586 1.00 3.03 C ATOM 293 C GLU A 17 19.733 -19.536 5.525 1.00 11.52 C ATOM 294 O GLU A 17 19.024 -20.504 5.800 1.00 74.42 O ATOM 295 CB GLU A 17 21.605 -18.358 6.695 1.00 42.24 C ATOM 296 CG GLU A 17 22.049 -17.235 7.617 1.00 24.55 C ATOM 297 CD GLU A 17 21.227 -15.974 7.440 1.00 72.10 C ATOM 298 OE1 GLU A 17 21.204 -15.433 6.315 1.00 64.12 O ATOM 299 OE2 GLU A 17 20.605 -15.528 8.427 1.00 20.21 O ATOM 0 H GLU A 17 20.130 -19.424 8.467 1.00 60.43 H new ATOM 0 HA GLU A 17 19.660 -17.539 6.286 1.00 3.03 H new ATOM 0 HB2 GLU A 17 22.023 -19.298 7.055 1.00 42.24 H new ATOM 0 HB3 GLU A 17 22.018 -18.185 5.701 1.00 42.24 H new ATOM 0 HG2 GLU A 17 21.976 -17.569 8.652 1.00 24.55 H new ATOM 0 HG3 GLU A 17 23.099 -17.009 7.429 1.00 24.55 H new ATOM 306 N LEU A 18 20.233 -19.326 4.312 1.00 34.23 N ATOM 307 CA LEU A 18 19.971 -20.243 3.208 1.00 21.23 C ATOM 308 C LEU A 18 21.130 -20.247 2.217 1.00 4.21 C ATOM 309 O LEU A 18 21.503 -19.204 1.679 1.00 60.24 O ATOM 310 CB LEU A 18 18.675 -19.856 2.494 1.00 43.24 C ATOM 311 CG LEU A 18 18.241 -20.771 1.348 1.00 1.12 C ATOM 312 CD1 LEU A 18 17.989 -22.181 1.858 1.00 22.40 C ATOM 313 CD2 LEU A 18 16.998 -20.218 0.666 1.00 20.51 C ATOM 0 H LEU A 18 20.822 -18.529 4.068 1.00 34.23 H new ATOM 0 HA LEU A 18 19.866 -21.247 3.619 1.00 21.23 H new ATOM 0 HB2 LEU A 18 17.873 -19.825 3.231 1.00 43.24 H new ATOM 0 HB3 LEU A 18 18.787 -18.845 2.102 1.00 43.24 H new ATOM 0 HG LEU A 18 19.046 -20.811 0.614 1.00 1.12 H new ATOM 0 HD11 LEU A 18 17.681 -22.818 1.029 1.00 22.40 H new ATOM 0 HD12 LEU A 18 18.903 -22.577 2.300 1.00 22.40 H new ATOM 0 HD13 LEU A 18 17.202 -22.160 2.611 1.00 22.40 H new ATOM 0 HD21 LEU A 18 16.703 -20.882 -0.147 1.00 20.51 H new ATOM 0 HD22 LEU A 18 16.186 -20.148 1.390 1.00 20.51 H new ATOM 0 HD23 LEU A 18 17.213 -19.227 0.266 1.00 20.51 H new ATOM 325 N ASP A 19 21.695 -21.425 1.980 1.00 61.55 N ATOM 326 CA ASP A 19 22.810 -21.566 1.050 1.00 1.32 C ATOM 327 C ASP A 19 22.314 -21.611 -0.392 1.00 35.15 C ATOM 328 O ASP A 19 21.475 -22.440 -0.744 1.00 72.35 O ATOM 329 CB ASP A 19 23.610 -22.830 1.367 1.00 21.22 C ATOM 330 CG ASP A 19 24.735 -23.067 0.379 1.00 40.43 C ATOM 331 OD1 ASP A 19 25.649 -22.219 0.307 1.00 52.24 O ATOM 332 OD2 ASP A 19 24.701 -24.099 -0.324 1.00 22.05 O ATOM 0 H ASP A 19 21.400 -22.297 2.419 1.00 61.55 H new ATOM 0 HA ASP A 19 23.458 -20.697 1.165 1.00 1.32 H new ATOM 0 HB2 ASP A 19 24.024 -22.752 2.372 1.00 21.22 H new ATOM 0 HB3 ASP A 19 22.941 -23.690 1.364 1.00 21.22 H new ATOM 337 N VAL A 20 22.836 -20.713 -1.221 1.00 23.32 N ATOM 338 CA VAL A 20 22.446 -20.651 -2.624 1.00 44.43 C ATOM 339 C VAL A 20 23.653 -20.388 -3.519 1.00 13.24 C ATOM 340 O VAL A 20 24.652 -19.819 -3.079 1.00 62.30 O ATOM 341 CB VAL A 20 21.393 -19.553 -2.866 1.00 3.13 C ATOM 342 CG1 VAL A 20 22.013 -18.173 -2.703 1.00 32.32 C ATOM 343 CG2 VAL A 20 20.770 -19.707 -4.245 1.00 21.12 C ATOM 0 H VAL A 20 23.530 -20.018 -0.945 1.00 23.32 H new ATOM 0 HA VAL A 20 22.015 -21.620 -2.876 1.00 44.43 H new ATOM 0 HB VAL A 20 20.604 -19.661 -2.122 1.00 3.13 H new ATOM 0 HG11 VAL A 20 21.254 -17.410 -2.878 1.00 32.32 H new ATOM 0 HG12 VAL A 20 22.407 -18.068 -1.692 1.00 32.32 H new ATOM 0 HG13 VAL A 20 22.823 -18.051 -3.422 1.00 32.32 H new ATOM 0 HG21 VAL A 20 20.028 -18.923 -4.399 1.00 21.12 H new ATOM 0 HG22 VAL A 20 21.546 -19.627 -5.006 1.00 21.12 H new ATOM 0 HG23 VAL A 20 20.288 -20.682 -4.320 1.00 21.12 H new ATOM 353 N SER A 21 23.552 -20.805 -4.777 1.00 20.15 N ATOM 354 CA SER A 21 24.637 -20.618 -5.733 1.00 55.22 C ATOM 355 C SER A 21 24.249 -19.600 -6.802 1.00 33.33 C ATOM 356 O SER A 21 23.072 -19.327 -7.037 1.00 75.22 O ATOM 357 CB SER A 21 25.001 -21.950 -6.390 1.00 61.52 C ATOM 358 OG SER A 21 25.994 -22.633 -5.644 1.00 13.45 O ATOM 0 H SER A 21 22.730 -21.274 -5.158 1.00 20.15 H new ATOM 0 HA SER A 21 25.504 -20.239 -5.192 1.00 55.22 H new ATOM 0 HB2 SER A 21 24.111 -22.574 -6.472 1.00 61.52 H new ATOM 0 HB3 SER A 21 25.361 -21.773 -7.403 1.00 61.52 H new ATOM 0 HG SER A 21 26.391 -22.020 -4.990 1.00 13.45 H new ATOM 364 N PRO A 22 25.263 -19.025 -7.465 1.00 55.40 N ATOM 365 CA PRO A 22 25.054 -18.028 -8.520 1.00 71.40 C ATOM 366 C PRO A 22 24.446 -18.636 -9.779 1.00 60.44 C ATOM 367 O PRO A 22 25.002 -19.567 -10.362 1.00 13.40 O ATOM 368 CB PRO A 22 26.466 -17.511 -8.804 1.00 24.40 C ATOM 369 CG PRO A 22 27.367 -18.626 -8.397 1.00 72.41 C ATOM 370 CD PRO A 22 26.690 -19.302 -7.237 1.00 25.44 C ATOM 0 HA PRO A 22 24.354 -17.250 -8.213 1.00 71.40 H new ATOM 0 HB2 PRO A 22 26.593 -17.264 -9.858 1.00 24.40 H new ATOM 0 HB3 PRO A 22 26.677 -16.604 -8.237 1.00 24.40 H new ATOM 0 HG2 PRO A 22 27.521 -19.324 -9.220 1.00 72.41 H new ATOM 0 HG3 PRO A 22 28.349 -18.250 -8.111 1.00 72.41 H new ATOM 0 HD2 PRO A 22 26.894 -20.373 -7.221 1.00 25.44 H new ATOM 0 HD3 PRO A 22 27.030 -18.899 -6.283 1.00 25.44 H new ATOM 378 N GLY A 23 23.301 -18.104 -10.195 1.00 13.21 N ATOM 379 CA GLY A 23 22.637 -18.607 -11.383 1.00 53.33 C ATOM 380 C GLY A 23 21.374 -19.380 -11.058 1.00 61.05 C ATOM 381 O GLY A 23 20.661 -19.823 -11.959 1.00 4.53 O ATOM 0 H GLY A 23 22.821 -17.333 -9.730 1.00 13.21 H new ATOM 0 HA2 GLY A 23 22.390 -17.772 -12.038 1.00 53.33 H new ATOM 0 HA3 GLY A 23 23.322 -19.252 -11.933 1.00 53.33 H new ATOM 385 N GLU A 24 21.098 -19.544 -9.769 1.00 32.35 N ATOM 386 CA GLU A 24 19.913 -20.272 -9.328 1.00 64.24 C ATOM 387 C GLU A 24 18.724 -19.330 -9.170 1.00 14.05 C ATOM 388 O GLU A 24 18.882 -18.173 -8.784 1.00 2.41 O ATOM 389 CB GLU A 24 20.190 -20.989 -8.005 1.00 65.03 C ATOM 390 CG GLU A 24 20.996 -22.268 -8.163 1.00 3.51 C ATOM 391 CD GLU A 24 20.158 -23.427 -8.665 1.00 21.35 C ATOM 392 OE1 GLU A 24 18.955 -23.221 -8.925 1.00 75.31 O ATOM 393 OE2 GLU A 24 20.707 -24.541 -8.797 1.00 31.53 O ATOM 0 H GLU A 24 21.678 -19.183 -9.011 1.00 32.35 H new ATOM 0 HA GLU A 24 19.669 -21.013 -10.089 1.00 64.24 H new ATOM 0 HB2 GLU A 24 20.726 -20.312 -7.340 1.00 65.03 H new ATOM 0 HB3 GLU A 24 19.241 -21.225 -7.523 1.00 65.03 H new ATOM 0 HG2 GLU A 24 21.818 -22.092 -8.857 1.00 3.51 H new ATOM 0 HG3 GLU A 24 21.440 -22.534 -7.204 1.00 3.51 H new ATOM 400 N ASN A 25 17.532 -19.835 -9.470 1.00 73.45 N ATOM 401 CA ASN A 25 16.315 -19.039 -9.363 1.00 35.45 C ATOM 402 C ASN A 25 15.747 -19.103 -7.948 1.00 13.11 C ATOM 403 O ASN A 25 15.783 -20.149 -7.299 1.00 21.22 O ATOM 404 CB ASN A 25 15.269 -19.530 -10.366 1.00 50.43 C ATOM 405 CG ASN A 25 15.717 -19.347 -11.803 1.00 62.25 C ATOM 406 OD1 ASN A 25 16.780 -19.826 -12.200 1.00 31.35 O ATOM 407 ND2 ASN A 25 14.907 -18.651 -12.592 1.00 75.31 N ATOM 0 H ASN A 25 17.383 -20.792 -9.789 1.00 73.45 H new ATOM 0 HA ASN A 25 16.567 -18.003 -9.589 1.00 35.45 H new ATOM 0 HB2 ASN A 25 15.062 -20.585 -10.184 1.00 50.43 H new ATOM 0 HB3 ASN A 25 14.336 -18.990 -10.207 1.00 50.43 H new ATOM 0 HD21 ASN A 25 15.156 -18.495 -13.569 1.00 75.31 H new ATOM 0 HD22 ASN A 25 14.036 -18.272 -12.221 1.00 75.31 H new ATOM 414 N LEU A 26 15.222 -17.978 -7.476 1.00 52.50 N ATOM 415 CA LEU A 26 14.645 -17.904 -6.138 1.00 71.41 C ATOM 416 C LEU A 26 13.436 -16.975 -6.117 1.00 11.35 C ATOM 417 O LEU A 26 13.347 -16.038 -6.910 1.00 13.54 O ATOM 418 CB LEU A 26 15.693 -17.420 -5.135 1.00 43.21 C ATOM 419 CG LEU A 26 16.897 -18.339 -4.925 1.00 71.33 C ATOM 420 CD1 LEU A 26 18.021 -17.973 -5.882 1.00 23.25 C ATOM 421 CD2 LEU A 26 17.377 -18.269 -3.483 1.00 12.21 C ATOM 0 H LEU A 26 15.184 -17.104 -8.000 1.00 52.50 H new ATOM 0 HA LEU A 26 14.316 -18.904 -5.855 1.00 71.41 H new ATOM 0 HB2 LEU A 26 16.057 -16.446 -5.462 1.00 43.21 H new ATOM 0 HB3 LEU A 26 15.204 -17.270 -4.173 1.00 43.21 H new ATOM 0 HG LEU A 26 16.589 -19.363 -5.134 1.00 71.33 H new ATOM 0 HD11 LEU A 26 18.869 -18.637 -5.718 1.00 23.25 H new ATOM 0 HD12 LEU A 26 17.672 -18.077 -6.909 1.00 23.25 H new ATOM 0 HD13 LEU A 26 18.328 -16.942 -5.705 1.00 23.25 H new ATOM 0 HD21 LEU A 26 18.234 -18.929 -3.352 1.00 12.21 H new ATOM 0 HD22 LEU A 26 17.668 -17.246 -3.246 1.00 12.21 H new ATOM 0 HD23 LEU A 26 16.573 -18.582 -2.816 1.00 12.21 H new ATOM 433 N SER A 27 12.508 -17.239 -5.202 1.00 25.51 N ATOM 434 CA SER A 27 11.304 -16.428 -5.078 1.00 14.54 C ATOM 435 C SER A 27 11.365 -15.551 -3.830 1.00 64.13 C ATOM 436 O SER A 27 11.571 -16.045 -2.721 1.00 50.02 O ATOM 437 CB SER A 27 10.064 -17.322 -5.025 1.00 55.14 C ATOM 438 OG SER A 27 8.878 -16.559 -5.166 1.00 51.40 O ATOM 0 H SER A 27 12.568 -18.009 -4.536 1.00 25.51 H new ATOM 0 HA SER A 27 11.240 -15.781 -5.953 1.00 14.54 H new ATOM 0 HB2 SER A 27 10.116 -18.069 -5.817 1.00 55.14 H new ATOM 0 HB3 SER A 27 10.042 -17.863 -4.079 1.00 55.14 H new ATOM 0 HG SER A 27 8.662 -16.464 -6.117 1.00 51.40 H new ATOM 444 N ILE A 28 11.186 -14.248 -4.021 1.00 22.41 N ATOM 445 CA ILE A 28 11.220 -13.303 -2.912 1.00 43.11 C ATOM 446 C ILE A 28 9.853 -13.185 -2.248 1.00 13.11 C ATOM 447 O ILE A 28 8.820 -13.242 -2.916 1.00 52.12 O ATOM 448 CB ILE A 28 11.675 -11.907 -3.377 1.00 1.34 C ATOM 449 CG1 ILE A 28 13.085 -11.976 -3.968 1.00 13.03 C ATOM 450 CG2 ILE A 28 11.628 -10.922 -2.218 1.00 45.20 C ATOM 451 CD1 ILE A 28 13.627 -10.630 -4.396 1.00 71.53 C ATOM 0 H ILE A 28 11.016 -13.823 -4.933 1.00 22.41 H new ATOM 0 HA ILE A 28 11.939 -13.689 -2.190 1.00 43.11 H new ATOM 0 HB ILE A 28 10.993 -11.559 -4.153 1.00 1.34 H new ATOM 0 HG12 ILE A 28 13.759 -12.412 -3.230 1.00 13.03 H new ATOM 0 HG13 ILE A 28 13.077 -12.646 -4.828 1.00 13.03 H new ATOM 0 HG21 ILE A 28 11.952 -9.940 -2.562 1.00 45.20 H new ATOM 0 HG22 ILE A 28 10.608 -10.855 -1.838 1.00 45.20 H new ATOM 0 HG23 ILE A 28 12.290 -11.265 -1.422 1.00 45.20 H new ATOM 0 HD11 ILE A 28 14.630 -10.755 -4.805 1.00 71.53 H new ATOM 0 HD12 ILE A 28 12.975 -10.201 -5.157 1.00 71.53 H new ATOM 0 HD13 ILE A 28 13.667 -9.963 -3.535 1.00 71.53 H new ATOM 463 N CYS A 29 9.854 -13.019 -0.930 1.00 52.50 N ATOM 464 CA CYS A 29 8.613 -12.891 -0.174 1.00 74.05 C ATOM 465 C CYS A 29 8.471 -11.488 0.406 1.00 50.44 C ATOM 466 O CYS A 29 7.374 -10.932 0.452 1.00 32.44 O ATOM 467 CB CYS A 29 8.566 -13.928 0.949 1.00 4.51 C ATOM 468 SG CYS A 29 8.970 -15.609 0.420 1.00 53.34 S ATOM 0 H CYS A 29 10.700 -12.970 -0.363 1.00 52.50 H new ATOM 0 HA CYS A 29 7.782 -13.067 -0.856 1.00 74.05 H new ATOM 0 HB2 CYS A 29 9.260 -13.629 1.734 1.00 4.51 H new ATOM 0 HB3 CYS A 29 7.568 -13.927 1.388 1.00 4.51 H new ATOM 0 HG CYS A 29 8.679 -16.445 1.372 1.00 53.34 H new ATOM 474 N ALA A 30 9.588 -10.920 0.848 1.00 24.31 N ATOM 475 CA ALA A 30 9.589 -9.582 1.425 1.00 10.21 C ATOM 476 C ALA A 30 11.003 -9.014 1.494 1.00 33.32 C ATOM 477 O ALA A 30 11.973 -9.694 1.158 1.00 74.51 O ATOM 478 CB ALA A 30 8.959 -9.604 2.810 1.00 54.43 C ATOM 0 H ALA A 30 10.505 -11.366 0.817 1.00 24.31 H new ATOM 0 HA ALA A 30 8.997 -8.934 0.778 1.00 10.21 H new ATOM 0 HB1 ALA A 30 8.966 -8.598 3.229 1.00 54.43 H new ATOM 0 HB2 ALA A 30 7.931 -9.959 2.737 1.00 54.43 H new ATOM 0 HB3 ALA A 30 9.528 -10.271 3.458 1.00 54.43 H new ATOM 484 N HIS A 31 11.113 -7.764 1.932 1.00 52.13 N ATOM 485 CA HIS A 31 12.409 -7.105 2.045 1.00 41.13 C ATOM 486 C HIS A 31 12.612 -6.542 3.448 1.00 22.43 C ATOM 487 O HIS A 31 11.731 -6.646 4.303 1.00 45.35 O ATOM 488 CB HIS A 31 12.527 -5.984 1.011 1.00 31.05 C ATOM 489 CG HIS A 31 11.741 -4.759 1.365 1.00 51.04 C ATOM 490 ND1 HIS A 31 12.291 -3.495 1.397 1.00 24.25 N ATOM 491 CD2 HIS A 31 10.438 -4.609 1.700 1.00 61.13 C ATOM 492 CE1 HIS A 31 11.362 -2.621 1.739 1.00 33.13 C ATOM 493 NE2 HIS A 31 10.228 -3.271 1.928 1.00 74.41 N ATOM 0 H HIS A 31 10.321 -7.187 2.214 1.00 52.13 H new ATOM 0 HA HIS A 31 13.184 -7.848 1.855 1.00 41.13 H new ATOM 0 HB2 HIS A 31 13.577 -5.713 0.899 1.00 31.05 H new ATOM 0 HB3 HIS A 31 12.189 -6.356 0.044 1.00 31.05 H new ATOM 0 HD2 HIS A 31 9.701 -5.395 1.774 1.00 61.13 H new ATOM 0 HE1 HIS A 31 11.505 -1.556 1.846 1.00 33.13 H new ATOM 0 HE2 HIS A 31 9.340 -2.848 2.199 1.00 74.41 H new ATOM 501 N TYR A 32 13.778 -5.948 3.679 1.00 34.44 N ATOM 502 CA TYR A 32 14.097 -5.373 4.980 1.00 3.42 C ATOM 503 C TYR A 32 14.861 -4.061 4.823 1.00 62.44 C ATOM 504 O TYR A 32 16.070 -4.058 4.592 1.00 64.24 O ATOM 505 CB TYR A 32 14.921 -6.359 5.809 1.00 21.25 C ATOM 506 CG TYR A 32 15.013 -5.991 7.273 1.00 32.11 C ATOM 507 CD1 TYR A 32 13.984 -6.302 8.154 1.00 72.25 C ATOM 508 CD2 TYR A 32 16.128 -5.332 7.776 1.00 54.54 C ATOM 509 CE1 TYR A 32 14.063 -5.967 9.491 1.00 33.45 C ATOM 510 CE2 TYR A 32 16.216 -4.994 9.112 1.00 32.22 C ATOM 511 CZ TYR A 32 15.181 -5.314 9.966 1.00 12.11 C ATOM 512 OH TYR A 32 15.264 -4.978 11.298 1.00 62.30 O ATOM 0 H TYR A 32 14.517 -5.852 2.983 1.00 34.44 H new ATOM 0 HA TYR A 32 13.160 -5.168 5.498 1.00 3.42 H new ATOM 0 HB2 TYR A 32 14.481 -7.352 5.720 1.00 21.25 H new ATOM 0 HB3 TYR A 32 15.927 -6.418 5.394 1.00 21.25 H new ATOM 0 HD1 TYR A 32 13.107 -6.815 7.786 1.00 72.25 H new ATOM 0 HD2 TYR A 32 16.940 -5.080 7.110 1.00 54.54 H new ATOM 0 HE1 TYR A 32 13.253 -6.215 10.161 1.00 33.45 H new ATOM 0 HE2 TYR A 32 17.090 -4.482 9.486 1.00 32.22 H new ATOM 0 HH TYR A 32 16.116 -4.524 11.468 1.00 62.30 H new ATOM 522 N ASP A 33 14.146 -2.949 4.950 1.00 22.10 N ATOM 523 CA ASP A 33 14.755 -1.630 4.824 1.00 62.01 C ATOM 524 C ASP A 33 15.493 -1.497 3.495 1.00 1.04 C ATOM 525 O ASP A 33 16.412 -0.688 3.362 1.00 30.34 O ATOM 526 CB ASP A 33 15.719 -1.377 5.984 1.00 13.44 C ATOM 527 CG ASP A 33 15.009 -1.308 7.322 1.00 33.41 C ATOM 528 OD1 ASP A 33 14.610 -2.374 7.837 1.00 53.15 O ATOM 529 OD2 ASP A 33 14.851 -0.189 7.854 1.00 22.43 O ATOM 0 H ASP A 33 13.144 -2.934 5.140 1.00 22.10 H new ATOM 0 HA ASP A 33 13.960 -0.885 4.854 1.00 62.01 H new ATOM 0 HB2 ASP A 33 16.465 -2.171 6.012 1.00 13.44 H new ATOM 0 HB3 ASP A 33 16.254 -0.443 5.811 1.00 13.44 H new ATOM 534 N TYR A 34 15.086 -2.296 2.516 1.00 75.03 N ATOM 535 CA TYR A 34 15.710 -2.270 1.199 1.00 62.25 C ATOM 536 C TYR A 34 17.173 -2.694 1.281 1.00 5.00 C ATOM 537 O TYR A 34 17.947 -2.476 0.349 1.00 0.03 O ATOM 538 CB TYR A 34 15.606 -0.871 0.589 1.00 5.02 C ATOM 539 CG TYR A 34 14.209 -0.296 0.628 1.00 53.14 C ATOM 540 CD1 TYR A 34 13.770 0.443 1.719 1.00 32.03 C ATOM 541 CD2 TYR A 34 13.327 -0.491 -0.429 1.00 1.44 C ATOM 542 CE1 TYR A 34 12.493 0.969 1.759 1.00 43.51 C ATOM 543 CE2 TYR A 34 12.049 0.033 -0.398 1.00 42.53 C ATOM 544 CZ TYR A 34 11.637 0.762 0.698 1.00 51.33 C ATOM 545 OH TYR A 34 10.365 1.286 0.733 1.00 50.33 O ATOM 0 H TYR A 34 14.326 -2.970 2.609 1.00 75.03 H new ATOM 0 HA TYR A 34 15.181 -2.977 0.560 1.00 62.25 H new ATOM 0 HB2 TYR A 34 16.281 -0.201 1.121 1.00 5.02 H new ATOM 0 HB3 TYR A 34 15.945 -0.909 -0.446 1.00 5.02 H new ATOM 0 HD1 TYR A 34 14.439 0.609 2.551 1.00 32.03 H new ATOM 0 HD2 TYR A 34 13.646 -1.062 -1.289 1.00 1.44 H new ATOM 0 HE1 TYR A 34 12.167 1.539 2.616 1.00 43.51 H new ATOM 0 HE2 TYR A 34 11.376 -0.127 -1.227 1.00 42.53 H new ATOM 0 HH TYR A 34 9.891 1.050 -0.092 1.00 50.33 H new ATOM 555 N GLU A 35 17.544 -3.301 2.404 1.00 64.41 N ATOM 556 CA GLU A 35 18.915 -3.756 2.609 1.00 73.02 C ATOM 557 C GLU A 35 19.020 -5.267 2.426 1.00 74.43 C ATOM 558 O GLU A 35 19.891 -5.757 1.708 1.00 44.04 O ATOM 559 CB GLU A 35 19.402 -3.365 4.006 1.00 74.42 C ATOM 560 CG GLU A 35 19.002 -1.959 4.419 1.00 52.14 C ATOM 561 CD GLU A 35 19.412 -0.913 3.400 1.00 73.22 C ATOM 562 OE1 GLU A 35 20.294 -1.211 2.568 1.00 42.34 O ATOM 563 OE2 GLU A 35 18.851 0.202 3.435 1.00 71.13 O ATOM 0 H GLU A 35 16.916 -3.489 3.185 1.00 64.41 H new ATOM 0 HA GLU A 35 19.546 -3.273 1.863 1.00 73.02 H new ATOM 0 HB2 GLU A 35 19.005 -4.075 4.732 1.00 74.42 H new ATOM 0 HB3 GLU A 35 20.488 -3.449 4.040 1.00 74.42 H new ATOM 0 HG2 GLU A 35 17.922 -1.919 4.561 1.00 52.14 H new ATOM 0 HG3 GLU A 35 19.458 -1.723 5.380 1.00 52.14 H new ATOM 570 N TRP A 36 18.126 -6.000 3.081 1.00 41.25 N ATOM 571 CA TRP A 36 18.118 -7.456 2.991 1.00 41.51 C ATOM 572 C TRP A 36 16.850 -7.952 2.305 1.00 41.30 C ATOM 573 O TRP A 36 15.781 -7.359 2.451 1.00 41.43 O ATOM 574 CB TRP A 36 18.234 -8.073 4.385 1.00 33.53 C ATOM 575 CG TRP A 36 19.532 -7.764 5.066 1.00 3.15 C ATOM 576 CD1 TRP A 36 19.866 -6.605 5.707 1.00 41.45 C ATOM 577 CD2 TRP A 36 20.671 -8.626 5.173 1.00 13.42 C ATOM 578 NE1 TRP A 36 21.144 -6.694 6.205 1.00 54.32 N ATOM 579 CE2 TRP A 36 21.658 -7.924 5.892 1.00 44.22 C ATOM 580 CE3 TRP A 36 20.951 -9.922 4.734 1.00 62.12 C ATOM 581 CZ2 TRP A 36 22.904 -8.476 6.178 1.00 70.41 C ATOM 582 CZ3 TRP A 36 22.188 -10.469 5.018 1.00 11.13 C ATOM 583 CH2 TRP A 36 23.152 -9.747 5.735 1.00 34.44 C ATOM 0 H TRP A 36 17.398 -5.610 3.680 1.00 41.25 H new ATOM 0 HA TRP A 36 18.976 -7.764 2.393 1.00 41.51 H new ATOM 0 HB2 TRP A 36 17.413 -7.712 5.004 1.00 33.53 H new ATOM 0 HB3 TRP A 36 18.122 -9.154 4.306 1.00 33.53 H new ATOM 0 HD1 TRP A 36 19.221 -5.745 5.808 1.00 41.45 H new ATOM 0 HE1 TRP A 36 21.630 -5.963 6.723 1.00 54.32 H new ATOM 0 HE3 TRP A 36 20.214 -10.487 4.182 1.00 62.12 H new ATOM 0 HZ2 TRP A 36 23.648 -7.921 6.730 1.00 70.41 H new ATOM 0 HZ3 TRP A 36 22.416 -11.470 4.682 1.00 11.13 H new ATOM 0 HH2 TRP A 36 24.109 -10.203 5.942 1.00 34.44 H new ATOM 594 N PHE A 37 16.975 -9.043 1.557 1.00 44.11 N ATOM 595 CA PHE A 37 15.839 -9.618 0.848 1.00 75.34 C ATOM 596 C PHE A 37 15.566 -11.043 1.322 1.00 51.22 C ATOM 597 O PHE A 37 16.483 -11.763 1.717 1.00 44.14 O ATOM 598 CB PHE A 37 16.095 -9.611 -0.661 1.00 33.12 C ATOM 599 CG PHE A 37 15.248 -8.621 -1.408 1.00 11.20 C ATOM 600 CD1 PHE A 37 13.871 -8.615 -1.258 1.00 55.22 C ATOM 601 CD2 PHE A 37 15.829 -7.696 -2.261 1.00 24.24 C ATOM 602 CE1 PHE A 37 13.088 -7.705 -1.944 1.00 3.40 C ATOM 603 CE2 PHE A 37 15.052 -6.783 -2.949 1.00 24.44 C ATOM 604 CZ PHE A 37 13.680 -6.788 -2.791 1.00 62.41 C ATOM 0 H PHE A 37 17.852 -9.547 1.426 1.00 44.11 H new ATOM 0 HA PHE A 37 14.962 -9.008 1.064 1.00 75.34 H new ATOM 0 HB2 PHE A 37 17.146 -9.387 -0.842 1.00 33.12 H new ATOM 0 HB3 PHE A 37 15.909 -10.609 -1.058 1.00 33.12 H new ATOM 0 HD1 PHE A 37 13.403 -9.330 -0.597 1.00 55.22 H new ATOM 0 HD2 PHE A 37 16.901 -7.688 -2.390 1.00 24.24 H new ATOM 0 HE1 PHE A 37 12.015 -7.711 -1.818 1.00 3.40 H new ATOM 0 HE2 PHE A 37 15.517 -6.066 -3.610 1.00 24.44 H new ATOM 0 HZ PHE A 37 13.071 -6.076 -3.329 1.00 62.41 H new ATOM 614 N ILE A 38 14.299 -11.441 1.280 1.00 22.52 N ATOM 615 CA ILE A 38 13.906 -12.779 1.705 1.00 74.22 C ATOM 616 C ILE A 38 13.511 -13.641 0.510 1.00 21.24 C ATOM 617 O ILE A 38 12.374 -13.588 0.042 1.00 23.33 O ATOM 618 CB ILE A 38 12.731 -12.731 2.699 1.00 34.23 C ATOM 619 CG1 ILE A 38 12.948 -11.617 3.726 1.00 74.25 C ATOM 620 CG2 ILE A 38 12.570 -14.075 3.394 1.00 13.03 C ATOM 621 CD1 ILE A 38 14.233 -11.760 4.509 1.00 5.13 C ATOM 0 H ILE A 38 13.528 -10.857 0.956 1.00 22.52 H new ATOM 0 HA ILE A 38 14.772 -13.221 2.199 1.00 74.22 H new ATOM 0 HB ILE A 38 11.816 -12.517 2.147 1.00 34.23 H new ATOM 0 HG12 ILE A 38 12.950 -10.656 3.212 1.00 74.25 H new ATOM 0 HG13 ILE A 38 12.108 -11.605 4.421 1.00 74.25 H new ATOM 0 HG21 ILE A 38 11.736 -14.025 4.093 1.00 13.03 H new ATOM 0 HG22 ILE A 38 12.375 -14.848 2.651 1.00 13.03 H new ATOM 0 HG23 ILE A 38 13.484 -14.316 3.936 1.00 13.03 H new ATOM 0 HD11 ILE A 38 14.321 -10.936 5.218 1.00 5.13 H new ATOM 0 HD12 ILE A 38 14.226 -12.706 5.051 1.00 5.13 H new ATOM 0 HD13 ILE A 38 15.081 -11.741 3.824 1.00 5.13 H new ATOM 633 N ALA A 39 14.458 -14.436 0.023 1.00 61.10 N ATOM 634 CA ALA A 39 14.209 -15.313 -1.114 1.00 54.04 C ATOM 635 C ALA A 39 14.082 -16.766 -0.670 1.00 31.11 C ATOM 636 O ALA A 39 14.509 -17.131 0.426 1.00 53.21 O ATOM 637 CB ALA A 39 15.319 -15.169 -2.145 1.00 73.20 C ATOM 0 H ALA A 39 15.405 -14.491 0.398 1.00 61.10 H new ATOM 0 HA ALA A 39 13.264 -15.016 -1.570 1.00 54.04 H new ATOM 0 HB1 ALA A 39 15.120 -15.830 -2.989 1.00 73.20 H new ATOM 0 HB2 ALA A 39 15.360 -14.137 -2.494 1.00 73.20 H new ATOM 0 HB3 ALA A 39 16.273 -15.437 -1.692 1.00 73.20 H new ATOM 643 N LYS A 40 13.492 -17.593 -1.527 1.00 10.33 N ATOM 644 CA LYS A 40 13.309 -19.007 -1.223 1.00 71.14 C ATOM 645 C LYS A 40 13.650 -19.872 -2.433 1.00 55.51 C ATOM 646 O LYS A 40 13.638 -19.414 -3.576 1.00 62.11 O ATOM 647 CB LYS A 40 11.868 -19.273 -0.783 1.00 14.01 C ATOM 648 CG LYS A 40 10.945 -19.664 -1.924 1.00 50.34 C ATOM 649 CD LYS A 40 9.503 -19.783 -1.460 1.00 61.20 C ATOM 650 CE LYS A 40 9.107 -21.235 -1.239 1.00 62.12 C ATOM 651 NZ LYS A 40 8.905 -21.957 -2.526 1.00 41.20 N ATOM 0 H LYS A 40 13.132 -17.308 -2.438 1.00 10.33 H new ATOM 0 HA LYS A 40 13.985 -19.268 -0.409 1.00 71.14 H new ATOM 0 HB2 LYS A 40 11.866 -20.068 -0.037 1.00 14.01 H new ATOM 0 HB3 LYS A 40 11.474 -18.380 -0.298 1.00 14.01 H new ATOM 0 HG2 LYS A 40 11.012 -18.921 -2.718 1.00 50.34 H new ATOM 0 HG3 LYS A 40 11.271 -20.614 -2.348 1.00 50.34 H new ATOM 0 HD2 LYS A 40 9.370 -19.223 -0.534 1.00 61.20 H new ATOM 0 HD3 LYS A 40 8.843 -19.333 -2.202 1.00 61.20 H new ATOM 0 HE2 LYS A 40 9.880 -21.738 -0.658 1.00 62.12 H new ATOM 0 HE3 LYS A 40 8.190 -21.276 -0.652 1.00 62.12 H new ATOM 0 HZ1 LYS A 40 8.326 -22.805 -2.361 1.00 41.20 H new ATOM 0 HZ2 LYS A 40 8.420 -21.333 -3.202 1.00 41.20 H new ATOM 0 HZ3 LYS A 40 9.828 -22.238 -2.915 1.00 41.20 H new ATOM 665 N PRO A 41 13.959 -21.152 -2.179 1.00 13.34 N ATOM 666 CA PRO A 41 14.306 -22.107 -3.235 1.00 22.14 C ATOM 667 C PRO A 41 13.109 -22.468 -4.107 1.00 52.53 C ATOM 668 O PRO A 41 12.032 -22.784 -3.600 1.00 64.31 O ATOM 669 CB PRO A 41 14.790 -23.334 -2.458 1.00 22.03 C ATOM 670 CG PRO A 41 14.114 -23.235 -1.134 1.00 4.23 C ATOM 671 CD PRO A 41 13.992 -21.765 -0.840 1.00 62.13 C ATOM 0 HA PRO A 41 15.047 -21.701 -3.924 1.00 22.14 H new ATOM 0 HB2 PRO A 41 14.523 -24.258 -2.971 1.00 22.03 H new ATOM 0 HB3 PRO A 41 15.875 -23.332 -2.350 1.00 22.03 H new ATOM 0 HG2 PRO A 41 13.133 -23.710 -1.160 1.00 4.23 H new ATOM 0 HG3 PRO A 41 14.693 -23.741 -0.361 1.00 4.23 H new ATOM 0 HD2 PRO A 41 13.088 -21.542 -0.273 1.00 62.13 H new ATOM 0 HD3 PRO A 41 14.835 -21.401 -0.252 1.00 62.13 H new ATOM 679 N ILE A 42 13.303 -22.417 -5.421 1.00 25.53 N ATOM 680 CA ILE A 42 12.239 -22.740 -6.363 1.00 63.40 C ATOM 681 C ILE A 42 12.112 -24.248 -6.552 1.00 75.13 C ATOM 682 O ILE A 42 11.009 -24.794 -6.538 1.00 64.42 O ATOM 683 CB ILE A 42 12.482 -22.081 -7.734 1.00 33.05 C ATOM 684 CG1 ILE A 42 12.745 -20.583 -7.564 1.00 34.30 C ATOM 685 CG2 ILE A 42 11.291 -22.315 -8.652 1.00 2.34 C ATOM 686 CD1 ILE A 42 11.546 -19.813 -7.055 1.00 61.15 C ATOM 0 H ILE A 42 14.187 -22.155 -5.857 1.00 25.53 H new ATOM 0 HA ILE A 42 11.313 -22.350 -5.940 1.00 63.40 H new ATOM 0 HB ILE A 42 13.362 -22.536 -8.189 1.00 33.05 H new ATOM 0 HG12 ILE A 42 13.576 -20.444 -6.872 1.00 34.30 H new ATOM 0 HG13 ILE A 42 13.055 -20.166 -8.522 1.00 34.30 H new ATOM 0 HG21 ILE A 42 11.477 -21.844 -9.617 1.00 2.34 H new ATOM 0 HG22 ILE A 42 11.145 -23.386 -8.793 1.00 2.34 H new ATOM 0 HG23 ILE A 42 10.396 -21.883 -8.204 1.00 2.34 H new ATOM 0 HD11 ILE A 42 11.805 -18.759 -6.959 1.00 61.15 H new ATOM 0 HD12 ILE A 42 10.719 -19.921 -7.757 1.00 61.15 H new ATOM 0 HD13 ILE A 42 11.249 -20.204 -6.082 1.00 61.15 H new ATOM 698 N ASN A 43A 13.248 -24.915 -6.728 1.00 34.44 N ATOM 699 CA ASN A 43A 13.263 -26.361 -6.918 1.00 61.24 C ATOM 700 C ASN A 43A 13.850 -27.065 -5.698 1.00 41.54 C ATOM 701 O ASN A 43A 13.316 -28.071 -5.233 1.00 20.40 O ATOM 702 CB ASN A 43A 14.070 -26.723 -8.167 1.00 71.10 C ATOM 703 CG ASN A 43A 13.886 -25.716 -9.286 1.00 61.21 C ATOM 704 OD1 ASN A 43A 14.827 -25.024 -9.674 1.00 3.11 O ATOM 705 ND2 ASN A 43A 12.669 -25.630 -9.811 1.00 22.45 N ATOM 0 H ASN A 43A 14.169 -24.478 -6.743 1.00 34.44 H new ATOM 0 HA ASN A 43A 12.234 -26.696 -7.048 1.00 61.24 H new ATOM 0 HB2 ASN A 43A 15.127 -26.785 -7.908 1.00 71.10 H new ATOM 0 HB3 ASN A 43A 13.769 -27.710 -8.517 1.00 71.10 H new ATOM 0 HD21 ASN A 43A 12.485 -24.970 -10.567 1.00 22.45 H new ATOM 0 HD22 ASN A 43A 11.918 -26.224 -9.458 1.00 22.45 H new ATOM 712 N ARG A 43B 14.952 -26.527 -5.185 1.00 52.33 N ATOM 713 CA ARG A 43B 15.612 -27.103 -4.020 1.00 11.20 C ATOM 714 C ARG A 43B 14.619 -27.309 -2.880 1.00 23.05 C ATOM 715 O ARG A 43B 13.483 -26.837 -2.938 1.00 70.22 O ATOM 716 CB ARG A 43B 16.756 -26.199 -3.557 1.00 64.31 C ATOM 717 CG ARG A 43B 17.700 -25.790 -4.676 1.00 53.42 C ATOM 718 CD ARG A 43B 19.109 -26.309 -4.435 1.00 54.43 C ATOM 719 NE ARG A 43B 19.952 -26.172 -5.620 1.00 21.24 N ATOM 720 CZ ARG A 43B 21.279 -26.210 -5.585 1.00 5.12 C ATOM 721 NH1 ARG A 43B 21.911 -26.379 -4.431 1.00 61.54 N ATOM 722 NH2 ARG A 43B 21.978 -26.078 -6.705 1.00 72.44 N ATOM 0 H ARG A 43B 15.406 -25.693 -5.558 1.00 52.33 H new ATOM 0 HA ARG A 43B 16.018 -28.074 -4.306 1.00 11.20 H new ATOM 0 HB2 ARG A 43B 16.337 -25.302 -3.100 1.00 64.31 H new ATOM 0 HB3 ARG A 43B 17.325 -26.715 -2.783 1.00 64.31 H new ATOM 0 HG2 ARG A 43B 17.328 -26.174 -5.626 1.00 53.42 H new ATOM 0 HG3 ARG A 43B 17.720 -24.703 -4.757 1.00 53.42 H new ATOM 0 HD2 ARG A 43B 19.559 -25.764 -3.605 1.00 54.43 H new ATOM 0 HD3 ARG A 43B 19.064 -27.358 -4.141 1.00 54.43 H new ATOM 0 HE ARG A 43B 19.497 -26.040 -6.523 1.00 21.24 H new ATOM 0 HH11 ARG A 43B 21.378 -26.480 -3.567 1.00 61.54 H new ATOM 0 HH12 ARG A 43B 22.930 -26.408 -4.407 1.00 61.54 H new ATOM 0 HH21 ARG A 43B 21.496 -25.947 -7.594 1.00 72.44 H new ATOM 0 HH22 ARG A 43B 22.997 -26.107 -6.677 1.00 72.44 H new ATOM 736 N LEU A 44 15.055 -28.017 -1.843 1.00 45.25 N ATOM 737 CA LEU A 44 14.205 -28.286 -0.689 1.00 25.41 C ATOM 738 C LEU A 44 13.655 -26.990 -0.104 1.00 33.04 C ATOM 739 O LEU A 44 14.412 -26.115 0.315 1.00 35.35 O ATOM 740 CB LEU A 44 14.990 -29.049 0.380 1.00 63.00 C ATOM 741 CG LEU A 44 15.176 -30.547 0.135 1.00 1.14 C ATOM 742 CD1 LEU A 44 15.974 -30.785 -1.137 1.00 74.14 C ATOM 743 CD2 LEU A 44 15.861 -31.201 1.327 1.00 43.25 C ATOM 0 H LEU A 44 15.992 -28.415 -1.778 1.00 45.25 H new ATOM 0 HA LEU A 44 13.366 -28.898 -1.021 1.00 25.41 H new ATOM 0 HB2 LEU A 44 15.975 -28.592 0.475 1.00 63.00 H new ATOM 0 HB3 LEU A 44 14.484 -28.918 1.337 1.00 63.00 H new ATOM 0 HG LEU A 44 14.192 -31.001 0.012 1.00 1.14 H new ATOM 0 HD11 LEU A 44 16.096 -31.857 -1.295 1.00 74.14 H new ATOM 0 HD12 LEU A 44 15.444 -30.351 -1.985 1.00 74.14 H new ATOM 0 HD13 LEU A 44 16.954 -30.318 -1.044 1.00 74.14 H new ATOM 0 HD21 LEU A 44 15.985 -32.267 1.135 1.00 43.25 H new ATOM 0 HD22 LEU A 44 16.838 -30.744 1.481 1.00 43.25 H new ATOM 0 HD23 LEU A 44 15.250 -31.061 2.219 1.00 43.25 H new ATOM 755 N GLY A 45 12.330 -26.874 -0.076 1.00 63.54 N ATOM 756 CA GLY A 45 11.701 -25.683 0.462 1.00 54.24 C ATOM 757 C GLY A 45 12.288 -25.269 1.796 1.00 12.13 C ATOM 758 O GLY A 45 12.253 -26.031 2.761 1.00 35.32 O ATOM 0 H GLY A 45 11.682 -27.584 -0.417 1.00 63.54 H new ATOM 0 HA2 GLY A 45 11.811 -24.865 -0.250 1.00 54.24 H new ATOM 0 HA3 GLY A 45 10.632 -25.862 0.579 1.00 54.24 H new ATOM 762 N GLY A 46 12.832 -24.057 1.852 1.00 53.23 N ATOM 763 CA GLY A 46 13.423 -23.565 3.082 1.00 3.31 C ATOM 764 C GLY A 46 14.026 -22.183 2.923 1.00 22.15 C ATOM 765 O GLY A 46 15.232 -22.027 2.732 1.00 4.14 O ATOM 0 H GLY A 46 12.874 -23.407 1.067 1.00 53.23 H new ATOM 0 HA2 GLY A 46 12.662 -23.539 3.862 1.00 3.31 H new ATOM 0 HA3 GLY A 46 14.195 -24.259 3.414 1.00 3.31 H new ATOM 769 N PRO A 47 13.175 -21.149 3.001 1.00 21.32 N ATOM 770 CA PRO A 47 13.608 -19.755 2.866 1.00 23.44 C ATOM 771 C PRO A 47 14.438 -19.288 4.057 1.00 30.45 C ATOM 772 O PRO A 47 14.148 -19.634 5.202 1.00 63.40 O ATOM 773 CB PRO A 47 12.291 -18.980 2.796 1.00 55.34 C ATOM 774 CG PRO A 47 11.304 -19.844 3.501 1.00 33.23 C ATOM 775 CD PRO A 47 11.724 -21.262 3.227 1.00 3.32 C ATOM 0 HA PRO A 47 14.250 -19.610 1.997 1.00 23.44 H new ATOM 0 HB2 PRO A 47 12.379 -18.006 3.277 1.00 55.34 H new ATOM 0 HB3 PRO A 47 11.992 -18.800 1.763 1.00 55.34 H new ATOM 0 HG2 PRO A 47 11.300 -19.638 4.571 1.00 33.23 H new ATOM 0 HG3 PRO A 47 10.293 -19.659 3.137 1.00 33.23 H new ATOM 0 HD2 PRO A 47 11.498 -21.918 4.068 1.00 3.32 H new ATOM 0 HD3 PRO A 47 11.212 -21.672 2.356 1.00 3.32 H new ATOM 783 N GLY A 48 15.472 -18.499 3.780 1.00 32.51 N ATOM 784 CA GLY A 48 16.327 -17.998 4.840 1.00 42.35 C ATOM 785 C GLY A 48 16.462 -16.488 4.810 1.00 62.21 C ATOM 786 O GLY A 48 15.539 -15.767 5.190 1.00 33.21 O ATOM 0 H GLY A 48 15.732 -18.198 2.841 1.00 32.51 H new ATOM 0 HA2 GLY A 48 15.922 -18.305 5.805 1.00 42.35 H new ATOM 0 HA3 GLY A 48 17.315 -18.450 4.750 1.00 42.35 H new ATOM 790 N LEU A 49 17.616 -16.008 4.359 1.00 54.22 N ATOM 791 CA LEU A 49 17.869 -14.573 4.282 1.00 24.35 C ATOM 792 C LEU A 49 19.048 -14.277 3.360 1.00 32.14 C ATOM 793 O LEU A 49 20.141 -14.815 3.540 1.00 53.21 O ATOM 794 CB LEU A 49 18.144 -14.009 5.677 1.00 24.05 C ATOM 795 CG LEU A 49 17.438 -12.698 6.022 1.00 15.34 C ATOM 796 CD1 LEU A 49 17.282 -12.555 7.528 1.00 23.15 C ATOM 797 CD2 LEU A 49 18.201 -11.513 5.449 1.00 63.25 C ATOM 0 H LEU A 49 18.391 -16.591 4.041 1.00 54.22 H new ATOM 0 HA LEU A 49 16.981 -14.093 3.871 1.00 24.35 H new ATOM 0 HB2 LEU A 49 17.855 -14.759 6.414 1.00 24.05 H new ATOM 0 HB3 LEU A 49 19.218 -13.858 5.781 1.00 24.05 H new ATOM 0 HG LEU A 49 16.444 -12.716 5.574 1.00 15.34 H new ATOM 0 HD11 LEU A 49 16.777 -11.616 7.754 1.00 23.15 H new ATOM 0 HD12 LEU A 49 16.691 -13.386 7.913 1.00 23.15 H new ATOM 0 HD13 LEU A 49 18.266 -12.561 7.998 1.00 23.15 H new ATOM 0 HD21 LEU A 49 17.683 -10.589 5.705 1.00 63.25 H new ATOM 0 HD22 LEU A 49 19.208 -11.492 5.866 1.00 63.25 H new ATOM 0 HD23 LEU A 49 18.260 -11.608 4.365 1.00 63.25 H new ATOM 809 N VAL A 50 18.819 -13.416 2.374 1.00 72.44 N ATOM 810 CA VAL A 50 19.862 -13.046 1.425 1.00 41.40 C ATOM 811 C VAL A 50 19.860 -11.543 1.165 1.00 74.42 C ATOM 812 O VAL A 50 18.818 -10.931 0.926 1.00 23.32 O ATOM 813 CB VAL A 50 19.693 -13.788 0.086 1.00 12.20 C ATOM 814 CG1 VAL A 50 18.357 -13.439 -0.553 1.00 20.43 C ATOM 815 CG2 VAL A 50 20.844 -13.460 -0.853 1.00 72.43 C ATOM 0 H VAL A 50 17.920 -12.962 2.212 1.00 72.44 H new ATOM 0 HA VAL A 50 20.813 -13.334 1.873 1.00 41.40 H new ATOM 0 HB VAL A 50 19.707 -14.860 0.280 1.00 12.20 H new ATOM 0 HG11 VAL A 50 18.255 -13.972 -1.498 1.00 20.43 H new ATOM 0 HG12 VAL A 50 17.547 -13.729 0.116 1.00 20.43 H new ATOM 0 HG13 VAL A 50 18.310 -12.365 -0.736 1.00 20.43 H new ATOM 0 HG21 VAL A 50 20.709 -13.993 -1.794 1.00 72.43 H new ATOM 0 HG22 VAL A 50 20.864 -12.387 -1.043 1.00 72.43 H new ATOM 0 HG23 VAL A 50 21.785 -13.765 -0.395 1.00 72.43 H new ATOM 825 N PRO A 51 21.053 -10.933 1.211 1.00 60.04 N ATOM 826 CA PRO A 51 21.216 -9.494 0.981 1.00 33.32 C ATOM 827 C PRO A 51 20.964 -9.107 -0.472 1.00 13.11 C ATOM 828 O PRO A 51 21.285 -9.861 -1.391 1.00 4.43 O ATOM 829 CB PRO A 51 22.677 -9.238 1.357 1.00 22.21 C ATOM 830 CG PRO A 51 23.356 -10.548 1.153 1.00 61.41 C ATOM 831 CD PRO A 51 22.336 -11.600 1.489 1.00 33.44 C ATOM 0 HA PRO A 51 20.504 -8.906 1.559 1.00 33.32 H new ATOM 0 HB2 PRO A 51 23.117 -8.462 0.730 1.00 22.21 H new ATOM 0 HB3 PRO A 51 22.767 -8.902 2.390 1.00 22.21 H new ATOM 0 HG2 PRO A 51 23.700 -10.653 0.124 1.00 61.41 H new ATOM 0 HG3 PRO A 51 24.233 -10.637 1.794 1.00 61.41 H new ATOM 0 HD2 PRO A 51 22.465 -12.494 0.879 1.00 33.44 H new ATOM 0 HD3 PRO A 51 22.409 -11.912 2.531 1.00 33.44 H new ATOM 839 N VAL A 52 20.386 -7.927 -0.673 1.00 45.54 N ATOM 840 CA VAL A 52 20.093 -7.438 -2.015 1.00 72.24 C ATOM 841 C VAL A 52 21.360 -7.354 -2.859 1.00 72.01 C ATOM 842 O VAL A 52 21.301 -7.363 -4.089 1.00 31.04 O ATOM 843 CB VAL A 52 19.424 -6.052 -1.974 1.00 55.42 C ATOM 844 CG1 VAL A 52 18.921 -5.660 -3.355 1.00 43.44 C ATOM 845 CG2 VAL A 52 18.288 -6.038 -0.962 1.00 24.24 C ATOM 0 H VAL A 52 20.111 -7.292 0.077 1.00 45.54 H new ATOM 0 HA VAL A 52 19.405 -8.152 -2.468 1.00 72.24 H new ATOM 0 HB VAL A 52 20.168 -5.319 -1.662 1.00 55.42 H new ATOM 0 HG11 VAL A 52 18.451 -4.678 -3.306 1.00 43.44 H new ATOM 0 HG12 VAL A 52 19.759 -5.627 -4.052 1.00 43.44 H new ATOM 0 HG13 VAL A 52 18.192 -6.394 -3.699 1.00 43.44 H new ATOM 0 HG21 VAL A 52 17.827 -5.051 -0.946 1.00 24.24 H new ATOM 0 HG22 VAL A 52 17.543 -6.782 -1.242 1.00 24.24 H new ATOM 0 HG23 VAL A 52 18.680 -6.271 0.028 1.00 24.24 H new ATOM 855 N SER A 53 22.505 -7.273 -2.190 1.00 44.40 N ATOM 856 CA SER A 53 23.788 -7.183 -2.878 1.00 71.52 C ATOM 857 C SER A 53 24.219 -8.550 -3.403 1.00 0.32 C ATOM 858 O SER A 53 25.255 -8.678 -4.055 1.00 43.13 O ATOM 859 CB SER A 53 24.858 -6.625 -1.938 1.00 14.12 C ATOM 860 OG SER A 53 24.711 -5.225 -1.773 1.00 21.11 O ATOM 0 H SER A 53 22.571 -7.268 -1.172 1.00 44.40 H new ATOM 0 HA SER A 53 23.671 -6.507 -3.725 1.00 71.52 H new ATOM 0 HB2 SER A 53 24.788 -7.118 -0.968 1.00 14.12 H new ATOM 0 HB3 SER A 53 25.848 -6.846 -2.337 1.00 14.12 H new ATOM 0 HG SER A 53 25.358 -4.904 -1.111 1.00 21.11 H new ATOM 866 N TYR A 54 23.416 -9.568 -3.113 1.00 5.41 N ATOM 867 CA TYR A 54 23.715 -10.925 -3.553 1.00 31.44 C ATOM 868 C TYR A 54 22.541 -11.518 -4.325 1.00 73.35 C ATOM 869 O TYR A 54 22.398 -12.737 -4.423 1.00 21.24 O ATOM 870 CB TYR A 54 24.048 -11.811 -2.351 1.00 23.30 C ATOM 871 CG TYR A 54 25.438 -11.586 -1.800 1.00 62.40 C ATOM 872 CD1 TYR A 54 25.812 -10.350 -1.288 1.00 40.21 C ATOM 873 CD2 TYR A 54 26.378 -12.610 -1.792 1.00 51.31 C ATOM 874 CE1 TYR A 54 27.081 -10.139 -0.784 1.00 61.33 C ATOM 875 CE2 TYR A 54 27.649 -12.409 -1.289 1.00 14.30 C ATOM 876 CZ TYR A 54 27.996 -11.172 -0.786 1.00 55.14 C ATOM 877 OH TYR A 54 29.261 -10.967 -0.286 1.00 32.33 O ATOM 0 H TYR A 54 22.554 -9.479 -2.575 1.00 5.41 H new ATOM 0 HA TYR A 54 24.579 -10.883 -4.216 1.00 31.44 H new ATOM 0 HB2 TYR A 54 23.319 -11.627 -1.562 1.00 23.30 H new ATOM 0 HB3 TYR A 54 23.946 -12.857 -2.642 1.00 23.30 H new ATOM 0 HD1 TYR A 54 25.098 -9.540 -1.284 1.00 40.21 H new ATOM 0 HD2 TYR A 54 26.110 -13.579 -2.186 1.00 51.31 H new ATOM 0 HE1 TYR A 54 27.355 -9.171 -0.391 1.00 61.33 H new ATOM 0 HE2 TYR A 54 28.367 -13.216 -1.290 1.00 14.30 H new ATOM 0 HH TYR A 54 29.780 -11.795 -0.360 1.00 32.33 H new ATOM 887 N VAL A 55 21.702 -10.646 -4.875 1.00 15.01 N ATOM 888 CA VAL A 55 20.540 -11.081 -5.641 1.00 60.13 C ATOM 889 C VAL A 55 20.091 -10.001 -6.619 1.00 15.12 C ATOM 890 O VAL A 55 20.339 -8.814 -6.406 1.00 30.15 O ATOM 891 CB VAL A 55 19.362 -11.445 -4.718 1.00 2.42 C ATOM 892 CG1 VAL A 55 19.526 -12.855 -4.173 1.00 24.21 C ATOM 893 CG2 VAL A 55 19.244 -10.437 -3.584 1.00 52.24 C ATOM 0 H VAL A 55 21.805 -9.634 -4.804 1.00 15.01 H new ATOM 0 HA VAL A 55 20.842 -11.968 -6.197 1.00 60.13 H new ATOM 0 HB VAL A 55 18.442 -11.412 -5.302 1.00 2.42 H new ATOM 0 HG11 VAL A 55 18.684 -13.094 -3.523 1.00 24.21 H new ATOM 0 HG12 VAL A 55 19.558 -13.564 -5.001 1.00 24.21 H new ATOM 0 HG13 VAL A 55 20.453 -12.920 -3.604 1.00 24.21 H new ATOM 0 HG21 VAL A 55 18.407 -10.709 -2.941 1.00 52.24 H new ATOM 0 HG22 VAL A 55 20.165 -10.437 -3.000 1.00 52.24 H new ATOM 0 HG23 VAL A 55 19.076 -9.442 -3.997 1.00 52.24 H new ATOM 903 N ARG A 56 19.427 -10.420 -7.691 1.00 61.23 N ATOM 904 CA ARG A 56 18.943 -9.488 -8.703 1.00 20.42 C ATOM 905 C ARG A 56 17.429 -9.595 -8.861 1.00 21.55 C ATOM 906 O ARG A 56 16.890 -10.687 -9.045 1.00 62.22 O ATOM 907 CB ARG A 56 19.627 -9.758 -10.044 1.00 74.54 C ATOM 908 CG ARG A 56 19.001 -9.008 -11.209 1.00 4.44 C ATOM 909 CD ARG A 56 19.665 -9.371 -12.527 1.00 65.53 C ATOM 910 NE ARG A 56 21.123 -9.356 -12.429 1.00 55.20 N ATOM 911 CZ ARG A 56 21.848 -8.243 -12.440 1.00 31.11 C ATOM 912 NH1 ARG A 56 21.255 -7.062 -12.544 1.00 14.02 N ATOM 913 NH2 ARG A 56 23.170 -8.310 -12.346 1.00 72.53 N ATOM 0 H ARG A 56 19.212 -11.399 -7.881 1.00 61.23 H new ATOM 0 HA ARG A 56 19.186 -8.477 -8.376 1.00 20.42 H new ATOM 0 HB2 ARG A 56 20.679 -9.482 -9.968 1.00 74.54 H new ATOM 0 HB3 ARG A 56 19.593 -10.828 -10.251 1.00 74.54 H new ATOM 0 HG2 ARG A 56 17.937 -9.238 -11.261 1.00 4.44 H new ATOM 0 HG3 ARG A 56 19.087 -7.935 -11.040 1.00 4.44 H new ATOM 0 HD2 ARG A 56 19.333 -10.361 -12.839 1.00 65.53 H new ATOM 0 HD3 ARG A 56 19.346 -8.670 -13.298 1.00 65.53 H new ATOM 0 HE ARG A 56 21.610 -10.248 -12.348 1.00 55.20 H new ATOM 0 HH11 ARG A 56 20.239 -7.006 -12.616 1.00 14.02 H new ATOM 0 HH12 ARG A 56 21.815 -6.209 -12.552 1.00 14.02 H new ATOM 0 HH21 ARG A 56 23.630 -9.217 -12.265 1.00 72.53 H new ATOM 0 HH22 ARG A 56 23.726 -7.455 -12.355 1.00 72.53 H new ATOM 927 N ILE A 57 16.750 -8.456 -8.786 1.00 33.12 N ATOM 928 CA ILE A 57 15.299 -8.422 -8.921 1.00 33.22 C ATOM 929 C ILE A 57 14.879 -8.565 -10.380 1.00 31.22 C ATOM 930 O ILE A 57 15.085 -7.658 -11.187 1.00 35.40 O ATOM 931 CB ILE A 57 14.711 -7.116 -8.355 1.00 10.01 C ATOM 932 CG1 ILE A 57 15.106 -6.948 -6.886 1.00 52.32 C ATOM 933 CG2 ILE A 57 13.197 -7.107 -8.506 1.00 42.15 C ATOM 934 CD1 ILE A 57 14.527 -8.011 -5.979 1.00 51.13 C ATOM 0 H ILE A 57 17.181 -7.544 -8.632 1.00 33.12 H new ATOM 0 HA ILE A 57 14.909 -9.264 -8.349 1.00 33.22 H new ATOM 0 HB ILE A 57 15.118 -6.277 -8.920 1.00 10.01 H new ATOM 0 HG12 ILE A 57 16.193 -6.966 -6.806 1.00 52.32 H new ATOM 0 HG13 ILE A 57 14.777 -5.968 -6.540 1.00 52.32 H new ATOM 0 HG21 ILE A 57 12.797 -6.178 -8.101 1.00 42.15 H new ATOM 0 HG22 ILE A 57 12.936 -7.185 -9.561 1.00 42.15 H new ATOM 0 HG23 ILE A 57 12.772 -7.952 -7.964 1.00 42.15 H new ATOM 0 HD11 ILE A 57 14.849 -7.829 -4.954 1.00 51.13 H new ATOM 0 HD12 ILE A 57 13.439 -7.979 -6.029 1.00 51.13 H new ATOM 0 HD13 ILE A 57 14.876 -8.993 -6.300 1.00 51.13 H new ATOM 946 N ILE A 58 14.288 -9.709 -10.710 1.00 43.33 N ATOM 947 CA ILE A 58 13.837 -9.969 -12.072 1.00 14.05 C ATOM 948 C ILE A 58 12.364 -10.366 -12.096 1.00 4.32 C ATOM 949 O ILE A 58 11.702 -10.396 -11.059 1.00 12.44 O ATOM 950 CB ILE A 58 14.668 -11.082 -12.737 1.00 54.44 C ATOM 951 CG1 ILE A 58 14.659 -12.343 -11.871 1.00 13.31 C ATOM 952 CG2 ILE A 58 16.093 -10.607 -12.977 1.00 1.13 C ATOM 953 CD1 ILE A 58 14.840 -13.620 -12.661 1.00 3.11 C ATOM 0 H ILE A 58 14.111 -10.469 -10.054 1.00 43.33 H new ATOM 0 HA ILE A 58 13.971 -9.043 -12.632 1.00 14.05 H new ATOM 0 HB ILE A 58 14.219 -11.324 -13.701 1.00 54.44 H new ATOM 0 HG12 ILE A 58 15.453 -12.269 -11.128 1.00 13.31 H new ATOM 0 HG13 ILE A 58 13.716 -12.393 -11.326 1.00 13.31 H new ATOM 0 HG21 ILE A 58 16.668 -11.405 -13.447 1.00 1.13 H new ATOM 0 HG22 ILE A 58 16.081 -9.735 -13.630 1.00 1.13 H new ATOM 0 HG23 ILE A 58 16.553 -10.341 -12.025 1.00 1.13 H new ATOM 0 HD11 ILE A 58 14.823 -14.473 -11.983 1.00 3.11 H new ATOM 0 HD12 ILE A 58 14.032 -13.717 -13.386 1.00 3.11 H new ATOM 0 HD13 ILE A 58 15.796 -13.592 -13.185 1.00 3.11 H new ATOM 965 N ASP A 59 11.859 -10.671 -13.286 1.00 25.41 N ATOM 966 CA ASP A 59 10.466 -11.070 -13.446 1.00 12.23 C ATOM 967 C ASP A 59 10.363 -12.405 -14.176 1.00 33.45 C ATOM 968 O ASP A 59 10.885 -12.564 -15.280 1.00 4.34 O ATOM 969 CB ASP A 59 9.690 -9.996 -14.210 1.00 45.40 C ATOM 970 CG ASP A 59 9.490 -8.734 -13.393 1.00 31.52 C ATOM 971 OD1 ASP A 59 10.343 -8.446 -12.527 1.00 33.31 O ATOM 972 OD2 ASP A 59 8.481 -8.035 -13.620 1.00 33.23 O ATOM 0 H ASP A 59 12.394 -10.650 -14.154 1.00 25.41 H new ATOM 0 HA ASP A 59 10.031 -11.185 -12.453 1.00 12.23 H new ATOM 0 HB2 ASP A 59 10.224 -9.750 -15.128 1.00 45.40 H new ATOM 0 HB3 ASP A 59 8.718 -10.393 -14.503 1.00 45.40 H new ATOM 977 N LEU A 60 9.687 -13.364 -13.552 1.00 13.23 N ATOM 978 CA LEU A 60 9.516 -14.687 -14.141 1.00 74.22 C ATOM 979 C LEU A 60 8.897 -14.588 -15.532 1.00 45.02 C ATOM 980 O LEU A 60 9.101 -15.460 -16.376 1.00 62.12 O ATOM 981 CB LEU A 60 8.637 -15.558 -13.241 1.00 63.34 C ATOM 982 CG LEU A 60 9.312 -16.787 -12.631 1.00 62.44 C ATOM 983 CD1 LEU A 60 9.554 -17.847 -13.695 1.00 43.45 C ATOM 984 CD2 LEU A 60 10.619 -16.398 -11.957 1.00 24.14 C ATOM 0 H LEU A 60 9.249 -13.250 -12.638 1.00 13.23 H new ATOM 0 HA LEU A 60 10.500 -15.147 -14.233 1.00 74.22 H new ATOM 0 HB2 LEU A 60 8.255 -14.938 -12.430 1.00 63.34 H new ATOM 0 HB3 LEU A 60 7.776 -15.891 -13.820 1.00 63.34 H new ATOM 0 HG LEU A 60 8.647 -17.205 -11.875 1.00 62.44 H new ATOM 0 HD11 LEU A 60 10.035 -18.714 -13.242 1.00 43.45 H new ATOM 0 HD12 LEU A 60 8.602 -18.148 -14.132 1.00 43.45 H new ATOM 0 HD13 LEU A 60 10.199 -17.440 -14.474 1.00 43.45 H new ATOM 0 HD21 LEU A 60 11.085 -17.285 -11.528 1.00 24.14 H new ATOM 0 HD22 LEU A 60 11.290 -15.955 -12.693 1.00 24.14 H new ATOM 0 HD23 LEU A 60 10.419 -15.675 -11.166 1.00 24.14 H new ATOM 996 N MET A 61 8.143 -13.518 -15.764 1.00 64.50 N ATOM 997 CA MET A 61 7.499 -13.304 -17.054 1.00 55.33 C ATOM 998 C MET A 61 8.405 -12.510 -17.990 1.00 22.32 C ATOM 999 O MET A 61 8.293 -12.612 -19.212 1.00 0.53 O ATOM 1000 CB MET A 61 6.170 -12.569 -16.868 1.00 53.23 C ATOM 1001 CG MET A 61 4.981 -13.499 -16.688 1.00 51.21 C ATOM 1002 SD MET A 61 5.094 -14.487 -15.184 1.00 60.23 S ATOM 1003 CE MET A 61 5.248 -13.203 -13.946 1.00 2.33 C ATOM 0 H MET A 61 7.963 -12.787 -15.076 1.00 64.50 H new ATOM 0 HA MET A 61 7.308 -14.279 -17.503 1.00 55.33 H new ATOM 0 HB2 MET A 61 6.244 -11.915 -15.999 1.00 53.23 H new ATOM 0 HB3 MET A 61 5.993 -11.930 -17.733 1.00 53.23 H new ATOM 0 HG2 MET A 61 4.064 -12.910 -16.663 1.00 51.21 H new ATOM 0 HG3 MET A 61 4.910 -14.163 -17.550 1.00 51.21 H new ATOM 0 HE1 MET A 61 4.763 -13.526 -13.025 1.00 2.33 H new ATOM 0 HE2 MET A 61 6.303 -13.009 -13.752 1.00 2.33 H new ATOM 0 HE3 MET A 61 4.772 -12.291 -14.306 1.00 2.33 H new ATOM 1013 N ASP A 62 9.302 -11.721 -17.409 1.00 22.43 N ATOM 1014 CA ASP A 62 10.229 -10.911 -18.191 1.00 33.22 C ATOM 1015 C ASP A 62 11.559 -10.751 -17.462 1.00 2.11 C ATOM 1016 O ASP A 62 11.867 -9.697 -16.906 1.00 2.34 O ATOM 1017 CB ASP A 62 9.621 -9.537 -18.477 1.00 63.15 C ATOM 1018 CG ASP A 62 8.272 -9.632 -19.163 1.00 4.01 C ATOM 1019 OD1 ASP A 62 7.273 -9.918 -18.470 1.00 63.41 O ATOM 1020 OD2 ASP A 62 8.216 -9.419 -20.392 1.00 15.02 O ATOM 0 H ASP A 62 9.407 -11.625 -16.399 1.00 22.43 H new ATOM 0 HA ASP A 62 10.413 -11.423 -19.136 1.00 33.22 H new ATOM 0 HB2 ASP A 62 9.512 -8.989 -17.541 1.00 63.15 H new ATOM 0 HB3 ASP A 62 10.304 -8.964 -19.104 1.00 63.15 H new ATOM 1025 N PRO A 63 12.367 -11.821 -17.463 1.00 25.43 N ATOM 1026 CA PRO A 63 13.678 -11.824 -16.805 1.00 73.43 C ATOM 1027 C PRO A 63 14.689 -10.938 -17.524 1.00 40.11 C ATOM 1028 O PRO A 63 15.789 -10.703 -17.024 1.00 72.52 O ATOM 1029 CB PRO A 63 14.107 -13.292 -16.877 1.00 0.01 C ATOM 1030 CG PRO A 63 13.377 -13.843 -18.053 1.00 30.34 C ATOM 1031 CD PRO A 63 12.065 -13.111 -18.106 1.00 12.10 C ATOM 0 HA PRO A 63 13.626 -11.430 -15.790 1.00 73.43 H new ATOM 0 HB2 PRO A 63 15.186 -13.383 -17.002 1.00 0.01 H new ATOM 0 HB3 PRO A 63 13.846 -13.826 -15.963 1.00 0.01 H new ATOM 0 HG2 PRO A 63 13.945 -13.692 -18.971 1.00 30.34 H new ATOM 0 HG3 PRO A 63 13.221 -14.917 -17.947 1.00 30.34 H new ATOM 0 HD2 PRO A 63 11.720 -12.978 -19.132 1.00 12.10 H new ATOM 0 HD3 PRO A 63 11.282 -13.651 -17.574 1.00 12.10 H new ATOM 1039 N ALA A 64 14.309 -10.448 -18.699 1.00 41.45 N ATOM 1040 CA ALA A 64 15.182 -9.585 -19.485 1.00 42.25 C ATOM 1041 C ALA A 64 14.801 -8.118 -19.317 1.00 52.01 C ATOM 1042 O ALA A 64 15.551 -7.222 -19.704 1.00 41.13 O ATOM 1043 CB ALA A 64 15.132 -9.980 -20.954 1.00 11.01 C ATOM 0 H ALA A 64 13.402 -10.634 -19.128 1.00 41.45 H new ATOM 0 HA ALA A 64 16.201 -9.713 -19.120 1.00 42.25 H new ATOM 0 HB1 ALA A 64 15.789 -9.327 -21.529 1.00 11.01 H new ATOM 0 HB2 ALA A 64 15.461 -11.013 -21.064 1.00 11.01 H new ATOM 0 HB3 ALA A 64 14.111 -9.883 -21.322 1.00 11.01 H new ATOM 1049 N LYS A 65 13.629 -7.879 -18.738 1.00 2.14 N ATOM 1050 CA LYS A 65 13.147 -6.521 -18.517 1.00 2.40 C ATOM 1051 C LYS A 65 13.797 -5.907 -17.281 1.00 13.12 C ATOM 1052 O LYS A 65 14.350 -4.809 -17.339 1.00 43.31 O ATOM 1053 CB LYS A 65 11.625 -6.517 -18.361 1.00 52.34 C ATOM 1054 CG LYS A 65 10.995 -5.151 -18.577 1.00 31.53 C ATOM 1055 CD LYS A 65 9.558 -5.116 -18.084 1.00 21.24 C ATOM 1056 CE LYS A 65 8.648 -5.966 -18.957 1.00 50.11 C ATOM 1057 NZ LYS A 65 7.903 -5.141 -19.949 1.00 31.55 N ATOM 0 H LYS A 65 12.995 -8.609 -18.413 1.00 2.14 H new ATOM 0 HA LYS A 65 13.419 -5.920 -19.385 1.00 2.40 H new ATOM 0 HB2 LYS A 65 11.194 -7.223 -19.070 1.00 52.34 H new ATOM 0 HB3 LYS A 65 11.369 -6.872 -17.363 1.00 52.34 H new ATOM 0 HG2 LYS A 65 11.579 -4.393 -18.054 1.00 31.53 H new ATOM 0 HG3 LYS A 65 11.023 -4.900 -19.637 1.00 31.53 H new ATOM 0 HD2 LYS A 65 9.516 -5.475 -17.056 1.00 21.24 H new ATOM 0 HD3 LYS A 65 9.200 -4.087 -18.077 1.00 21.24 H new ATOM 0 HE2 LYS A 65 9.242 -6.715 -19.481 1.00 50.11 H new ATOM 0 HE3 LYS A 65 7.940 -6.505 -18.327 1.00 50.11 H new ATOM 0 HZ1 LYS A 65 7.294 -5.757 -20.525 1.00 31.55 H new ATOM 0 HZ2 LYS A 65 7.316 -4.443 -19.449 1.00 31.55 H new ATOM 0 HZ3 LYS A 65 8.578 -4.647 -20.566 1.00 31.55 H new ATOM 1071 N TYR A 66 13.727 -6.623 -16.164 1.00 55.02 N ATOM 1072 CA TYR A 66 14.307 -6.148 -14.914 1.00 0.01 C ATOM 1073 C TYR A 66 15.709 -6.716 -14.713 1.00 75.43 C ATOM 1074 O TYR A 66 16.201 -6.801 -13.589 1.00 30.13 O ATOM 1075 CB TYR A 66 13.414 -6.534 -13.733 1.00 62.25 C ATOM 1076 CG TYR A 66 12.086 -5.811 -13.716 1.00 45.04 C ATOM 1077 CD1 TYR A 66 11.026 -6.245 -14.502 1.00 42.14 C ATOM 1078 CD2 TYR A 66 11.892 -4.694 -12.913 1.00 42.22 C ATOM 1079 CE1 TYR A 66 9.812 -5.587 -14.490 1.00 51.53 C ATOM 1080 CE2 TYR A 66 10.681 -4.030 -12.894 1.00 33.14 C ATOM 1081 CZ TYR A 66 9.644 -4.480 -13.684 1.00 51.13 C ATOM 1082 OH TYR A 66 8.435 -3.822 -13.668 1.00 63.24 O ATOM 0 H TYR A 66 13.274 -7.535 -16.099 1.00 55.02 H new ATOM 0 HA TYR A 66 14.379 -5.062 -14.967 1.00 0.01 H new ATOM 0 HB2 TYR A 66 13.233 -7.608 -13.761 1.00 62.25 H new ATOM 0 HB3 TYR A 66 13.944 -6.325 -12.804 1.00 62.25 H new ATOM 0 HD1 TYR A 66 11.154 -7.112 -15.133 1.00 42.14 H new ATOM 0 HD2 TYR A 66 12.702 -4.339 -12.293 1.00 42.22 H new ATOM 0 HE1 TYR A 66 8.999 -5.937 -15.108 1.00 51.53 H new ATOM 0 HE2 TYR A 66 10.547 -3.163 -12.264 1.00 33.14 H new ATOM 0 HH TYR A 66 8.028 -3.907 -12.781 1.00 63.24 H new ATOM 1092 N ALA A 67 16.346 -7.104 -15.813 1.00 74.23 N ATOM 1093 CA ALA A 67 17.691 -7.662 -15.760 1.00 62.02 C ATOM 1094 C ALA A 67 18.745 -6.567 -15.885 1.00 11.20 C ATOM 1095 O ALA A 67 19.932 -6.850 -16.044 1.00 42.24 O ATOM 1096 CB ALA A 67 17.875 -8.701 -16.856 1.00 62.41 C ATOM 0 H ALA A 67 15.952 -7.042 -16.752 1.00 74.23 H new ATOM 0 HA ALA A 67 17.819 -8.145 -14.791 1.00 62.02 H new ATOM 0 HB1 ALA A 67 18.884 -9.109 -16.804 1.00 62.41 H new ATOM 0 HB2 ALA A 67 17.151 -9.505 -16.721 1.00 62.41 H new ATOM 0 HB3 ALA A 67 17.722 -8.234 -17.829 1.00 62.41 H new ATOM 1102 N SER A 68 18.303 -5.315 -15.812 1.00 73.51 N ATOM 1103 CA SER A 68 19.208 -4.177 -15.922 1.00 34.34 C ATOM 1104 C SER A 68 19.221 -3.368 -14.628 1.00 44.14 C ATOM 1105 O SER A 68 20.188 -2.666 -14.332 1.00 41.52 O ATOM 1106 CB SER A 68 18.796 -3.282 -17.092 1.00 64.53 C ATOM 1107 OG SER A 68 17.597 -2.585 -16.804 1.00 74.45 O ATOM 0 H SER A 68 17.324 -5.063 -15.677 1.00 73.51 H new ATOM 0 HA SER A 68 20.213 -4.559 -16.103 1.00 34.34 H new ATOM 0 HB2 SER A 68 19.592 -2.569 -17.306 1.00 64.53 H new ATOM 0 HB3 SER A 68 18.662 -3.888 -17.988 1.00 64.53 H new ATOM 0 HG SER A 68 17.356 -2.019 -17.567 1.00 74.45 H new ATOM 1113 N VAL A 69 18.141 -3.472 -13.861 1.00 52.32 N ATOM 1114 CA VAL A 69 18.027 -2.751 -12.599 1.00 4.02 C ATOM 1115 C VAL A 69 19.186 -3.088 -11.667 1.00 61.44 C ATOM 1116 O VAL A 69 19.555 -4.253 -11.515 1.00 61.15 O ATOM 1117 CB VAL A 69 16.700 -3.072 -11.886 1.00 61.24 C ATOM 1118 CG1 VAL A 69 16.653 -4.537 -11.480 1.00 71.33 C ATOM 1119 CG2 VAL A 69 16.513 -2.169 -10.677 1.00 11.21 C ATOM 0 H VAL A 69 17.332 -4.049 -14.092 1.00 52.32 H new ATOM 0 HA VAL A 69 18.054 -1.688 -12.839 1.00 4.02 H new ATOM 0 HB VAL A 69 15.880 -2.886 -12.580 1.00 61.24 H new ATOM 0 HG11 VAL A 69 15.708 -4.745 -10.978 1.00 71.33 H new ATOM 0 HG12 VAL A 69 16.738 -5.164 -12.368 1.00 71.33 H new ATOM 0 HG13 VAL A 69 17.479 -4.754 -10.803 1.00 71.33 H new ATOM 0 HG21 VAL A 69 15.570 -2.410 -10.185 1.00 11.21 H new ATOM 0 HG22 VAL A 69 17.336 -2.321 -9.978 1.00 11.21 H new ATOM 0 HG23 VAL A 69 16.499 -1.128 -10.999 1.00 11.21 H new ATOM 1129 N ASP A 70 19.756 -2.062 -11.045 1.00 70.15 N ATOM 1130 CA ASP A 70 20.873 -2.249 -10.127 1.00 32.44 C ATOM 1131 C ASP A 70 20.374 -2.459 -8.700 1.00 52.23 C ATOM 1132 O ASP A 70 20.018 -1.504 -8.008 1.00 63.13 O ATOM 1133 CB ASP A 70 21.812 -1.044 -10.180 1.00 2.55 C ATOM 1134 CG ASP A 70 22.424 -0.846 -11.552 1.00 65.44 C ATOM 1135 OD1 ASP A 70 21.667 -0.573 -12.507 1.00 15.43 O ATOM 1136 OD2 ASP A 70 23.662 -0.965 -11.672 1.00 74.14 O ATOM 0 H ASP A 70 19.463 -1.092 -11.160 1.00 70.15 H new ATOM 0 HA ASP A 70 21.420 -3.139 -10.436 1.00 32.44 H new ATOM 0 HB2 ASP A 70 21.262 -0.146 -9.898 1.00 2.55 H new ATOM 0 HB3 ASP A 70 22.607 -1.175 -9.446 1.00 2.55 H new ATOM 1141 N THR A 71 20.349 -3.715 -8.266 1.00 34.10 N ATOM 1142 CA THR A 71 19.891 -4.051 -6.924 1.00 1.34 C ATOM 1143 C THR A 71 20.712 -3.323 -5.865 1.00 54.30 C ATOM 1144 O THR A 71 20.209 -3.004 -4.787 1.00 43.31 O ATOM 1145 CB THR A 71 19.971 -5.567 -6.665 1.00 71.15 C ATOM 1146 OG1 THR A 71 21.016 -6.144 -7.456 1.00 23.23 O ATOM 1147 CG2 THR A 71 18.648 -6.242 -6.994 1.00 70.44 C ATOM 0 H THR A 71 20.641 -4.517 -8.825 1.00 34.10 H new ATOM 0 HA THR A 71 18.851 -3.733 -6.857 1.00 1.34 H new ATOM 0 HB THR A 71 20.187 -5.722 -5.608 1.00 71.15 H new ATOM 0 HG1 THR A 71 20.715 -7.002 -7.820 1.00 23.23 H new ATOM 0 HG21 THR A 71 18.728 -7.312 -6.803 1.00 70.44 H new ATOM 0 HG22 THR A 71 17.860 -5.821 -6.370 1.00 70.44 H new ATOM 0 HG23 THR A 71 18.407 -6.078 -8.044 1.00 70.44 H new ATOM 1155 N TYR A 72 21.976 -3.062 -6.179 1.00 54.02 N ATOM 1156 CA TYR A 72 22.867 -2.373 -5.254 1.00 14.54 C ATOM 1157 C TYR A 72 22.364 -0.962 -4.962 1.00 34.02 C ATOM 1158 O TYR A 72 22.346 -0.522 -3.812 1.00 24.40 O ATOM 1159 CB TYR A 72 24.284 -2.312 -5.826 1.00 73.32 C ATOM 1160 CG TYR A 72 25.193 -1.353 -5.092 1.00 24.42 C ATOM 1161 CD1 TYR A 72 25.188 -1.286 -3.704 1.00 4.31 C ATOM 1162 CD2 TYR A 72 26.057 -0.515 -5.785 1.00 52.44 C ATOM 1163 CE1 TYR A 72 26.017 -0.411 -3.029 1.00 2.25 C ATOM 1164 CE2 TYR A 72 26.890 0.362 -5.118 1.00 40.34 C ATOM 1165 CZ TYR A 72 26.866 0.411 -3.740 1.00 65.31 C ATOM 1166 OH TYR A 72 27.694 1.284 -3.072 1.00 71.00 O ATOM 0 H TYR A 72 22.407 -3.317 -7.068 1.00 54.02 H new ATOM 0 HA TYR A 72 22.883 -2.935 -4.320 1.00 14.54 H new ATOM 0 HB2 TYR A 72 24.722 -3.310 -5.796 1.00 73.32 H new ATOM 0 HB3 TYR A 72 24.231 -2.019 -6.874 1.00 73.32 H new ATOM 0 HD1 TYR A 72 24.525 -1.929 -3.144 1.00 4.31 H new ATOM 0 HD2 TYR A 72 26.078 -0.550 -6.864 1.00 52.44 H new ATOM 0 HE1 TYR A 72 26.000 -0.371 -1.950 1.00 2.25 H new ATOM 0 HE2 TYR A 72 27.557 1.006 -5.673 1.00 40.34 H new ATOM 0 HH TYR A 72 28.228 1.789 -3.720 1.00 71.00 H new ATOM 1176 N ASP A 73 21.954 -0.258 -6.012 1.00 24.25 N ATOM 1177 CA ASP A 73 21.449 1.102 -5.870 1.00 12.32 C ATOM 1178 C ASP A 73 20.171 1.123 -5.037 1.00 51.11 C ATOM 1179 O ASP A 73 19.107 0.715 -5.504 1.00 24.41 O ATOM 1180 CB ASP A 73 21.186 1.717 -7.245 1.00 41.33 C ATOM 1181 CG ASP A 73 20.857 3.195 -7.165 1.00 41.15 C ATOM 1182 OD1 ASP A 73 20.896 3.752 -6.048 1.00 51.43 O ATOM 1183 OD2 ASP A 73 20.562 3.795 -8.220 1.00 72.52 O ATOM 0 H ASP A 73 21.962 -0.607 -6.970 1.00 24.25 H new ATOM 0 HA ASP A 73 22.207 1.693 -5.355 1.00 12.32 H new ATOM 0 HB2 ASP A 73 22.063 1.577 -7.876 1.00 41.33 H new ATOM 0 HB3 ASP A 73 20.361 1.190 -7.724 1.00 41.33 H new ATOM 1188 N ARG A 74 20.283 1.600 -3.802 1.00 3.42 N ATOM 1189 CA ARG A 74 19.137 1.672 -2.903 1.00 44.13 C ATOM 1190 C ARG A 74 17.979 2.419 -3.558 1.00 2.32 C ATOM 1191 O ARG A 74 16.815 2.177 -3.242 1.00 72.43 O ATOM 1192 CB ARG A 74 19.530 2.363 -1.596 1.00 20.41 C ATOM 1193 CG ARG A 74 19.672 3.871 -1.722 1.00 64.44 C ATOM 1194 CD ARG A 74 20.915 4.248 -2.513 1.00 42.41 C ATOM 1195 NE ARG A 74 22.111 3.581 -2.005 1.00 51.31 N ATOM 1196 CZ ARG A 74 23.270 3.557 -2.653 1.00 43.10 C ATOM 1197 NH1 ARG A 74 23.390 4.160 -3.828 1.00 14.12 N ATOM 1198 NH2 ARG A 74 24.313 2.929 -2.126 1.00 5.24 N ATOM 0 H ARG A 74 21.156 1.943 -3.401 1.00 3.42 H new ATOM 0 HA ARG A 74 18.813 0.654 -2.685 1.00 44.13 H new ATOM 0 HB2 ARG A 74 18.780 2.140 -0.837 1.00 20.41 H new ATOM 0 HB3 ARG A 74 20.474 1.946 -1.244 1.00 20.41 H new ATOM 0 HG2 ARG A 74 18.789 4.281 -2.212 1.00 64.44 H new ATOM 0 HG3 ARG A 74 19.722 4.317 -0.729 1.00 64.44 H new ATOM 0 HD2 ARG A 74 20.771 3.985 -3.561 1.00 42.41 H new ATOM 0 HD3 ARG A 74 21.057 5.328 -2.472 1.00 42.41 H new ATOM 0 HE ARG A 74 22.053 3.108 -1.103 1.00 51.31 H new ATOM 0 HH11 ARG A 74 22.591 4.644 -4.237 1.00 14.12 H new ATOM 0 HH12 ARG A 74 24.282 4.140 -4.323 1.00 14.12 H new ATOM 0 HH21 ARG A 74 24.225 2.464 -1.222 1.00 5.24 H new ATOM 0 HH22 ARG A 74 25.203 2.911 -2.624 1.00 5.24 H new ATOM 1212 N GLU A 75 18.308 3.329 -4.470 1.00 23.13 N ATOM 1213 CA GLU A 75 17.295 4.112 -5.167 1.00 10.01 C ATOM 1214 C GLU A 75 16.446 3.222 -6.071 1.00 2.33 C ATOM 1215 O GLU A 75 15.220 3.211 -5.971 1.00 73.35 O ATOM 1216 CB GLU A 75 17.953 5.218 -5.994 1.00 63.04 C ATOM 1217 CG GLU A 75 18.409 6.408 -5.167 1.00 11.11 C ATOM 1218 CD GLU A 75 19.517 7.196 -5.839 1.00 32.14 C ATOM 1219 OE1 GLU A 75 20.635 6.654 -5.968 1.00 74.02 O ATOM 1220 OE2 GLU A 75 19.267 8.353 -6.234 1.00 54.42 O ATOM 0 H GLU A 75 19.268 3.542 -4.743 1.00 23.13 H new ATOM 0 HA GLU A 75 16.645 4.566 -4.419 1.00 10.01 H new ATOM 0 HB2 GLU A 75 18.812 4.803 -6.522 1.00 63.04 H new ATOM 0 HB3 GLU A 75 17.248 5.561 -6.751 1.00 63.04 H new ATOM 0 HG2 GLU A 75 17.559 7.066 -4.985 1.00 11.11 H new ATOM 0 HG3 GLU A 75 18.755 6.058 -4.194 1.00 11.11 H new ATOM 1227 N GLN A 76 17.109 2.479 -6.951 1.00 42.52 N ATOM 1228 CA GLN A 76 16.416 1.588 -7.873 1.00 72.13 C ATOM 1229 C GLN A 76 15.601 0.546 -7.114 1.00 63.20 C ATOM 1230 O GLN A 76 14.388 0.441 -7.292 1.00 73.45 O ATOM 1231 CB GLN A 76 17.419 0.895 -8.797 1.00 30.52 C ATOM 1232 CG GLN A 76 18.224 1.858 -9.653 1.00 42.24 C ATOM 1233 CD GLN A 76 18.617 1.262 -10.991 1.00 12.12 C ATOM 1234 OE1 GLN A 76 17.869 0.481 -11.579 1.00 34.32 O ATOM 1235 NE2 GLN A 76 19.796 1.629 -11.479 1.00 72.35 N ATOM 0 H GLN A 76 18.125 2.477 -7.045 1.00 42.52 H new ATOM 0 HA GLN A 76 15.734 2.188 -8.475 1.00 72.13 H new ATOM 0 HB2 GLN A 76 18.104 0.299 -8.194 1.00 30.52 H new ATOM 0 HB3 GLN A 76 16.883 0.204 -9.448 1.00 30.52 H new ATOM 0 HG2 GLN A 76 17.641 2.764 -9.820 1.00 42.24 H new ATOM 0 HG3 GLN A 76 19.124 2.153 -9.113 1.00 42.24 H new ATOM 0 HE21 GLN A 76 20.384 2.279 -10.957 1.00 72.35 H new ATOM 0 HE22 GLN A 76 20.114 1.261 -12.376 1.00 72.35 H new ATOM 1244 N VAL A 77 16.277 -0.223 -6.266 1.00 72.51 N ATOM 1245 CA VAL A 77 15.616 -1.257 -5.479 1.00 33.32 C ATOM 1246 C VAL A 77 14.414 -0.693 -4.730 1.00 33.23 C ATOM 1247 O VAL A 77 13.419 -1.387 -4.520 1.00 1.22 O ATOM 1248 CB VAL A 77 16.584 -1.897 -4.466 1.00 1.31 C ATOM 1249 CG1 VAL A 77 16.784 -0.982 -3.267 1.00 50.23 C ATOM 1250 CG2 VAL A 77 16.071 -3.260 -4.027 1.00 5.01 C ATOM 0 H VAL A 77 17.282 -0.149 -6.107 1.00 72.51 H new ATOM 0 HA VAL A 77 15.279 -2.021 -6.180 1.00 33.32 H new ATOM 0 HB VAL A 77 17.550 -2.037 -4.951 1.00 1.31 H new ATOM 0 HG11 VAL A 77 17.471 -1.451 -2.562 1.00 50.23 H new ATOM 0 HG12 VAL A 77 17.199 -0.031 -3.600 1.00 50.23 H new ATOM 0 HG13 VAL A 77 15.825 -0.808 -2.778 1.00 50.23 H new ATOM 0 HG21 VAL A 77 16.767 -3.698 -3.311 1.00 5.01 H new ATOM 0 HG22 VAL A 77 15.093 -3.147 -3.559 1.00 5.01 H new ATOM 0 HG23 VAL A 77 15.985 -3.913 -4.895 1.00 5.01 H new ATOM 1260 N MET A 78 14.513 0.570 -4.329 1.00 54.23 N ATOM 1261 CA MET A 78 13.432 1.229 -3.605 1.00 31.45 C ATOM 1262 C MET A 78 12.217 1.429 -4.505 1.00 33.25 C ATOM 1263 O MET A 78 11.096 1.070 -4.141 1.00 42.51 O ATOM 1264 CB MET A 78 13.904 2.577 -3.057 1.00 54.24 C ATOM 1265 CG MET A 78 14.363 2.519 -1.610 1.00 21.44 C ATOM 1266 SD MET A 78 14.655 4.153 -0.907 1.00 12.13 S ATOM 1267 CE MET A 78 16.348 4.442 -1.413 1.00 4.01 C ATOM 0 H MET A 78 15.330 1.158 -4.493 1.00 54.23 H new ATOM 0 HA MET A 78 13.143 0.588 -2.772 1.00 31.45 H new ATOM 0 HB2 MET A 78 14.724 2.944 -3.675 1.00 54.24 H new ATOM 0 HB3 MET A 78 13.092 3.299 -3.143 1.00 54.24 H new ATOM 0 HG2 MET A 78 13.611 2.001 -1.015 1.00 21.44 H new ATOM 0 HG3 MET A 78 15.279 1.932 -1.547 1.00 21.44 H new ATOM 0 HE1 MET A 78 16.738 5.318 -0.894 1.00 4.01 H new ATOM 0 HE2 MET A 78 16.956 3.572 -1.164 1.00 4.01 H new ATOM 0 HE3 MET A 78 16.382 4.613 -2.489 1.00 4.01 H new ATOM 1277 N LYS A 79 12.445 2.003 -5.681 1.00 2.55 N ATOM 1278 CA LYS A 79 11.370 2.251 -6.634 1.00 31.23 C ATOM 1279 C LYS A 79 10.633 0.958 -6.970 1.00 12.33 C ATOM 1280 O LYS A 79 9.403 0.930 -7.023 1.00 11.35 O ATOM 1281 CB LYS A 79 11.928 2.879 -7.912 1.00 45.14 C ATOM 1282 CG LYS A 79 12.291 4.346 -7.761 1.00 41.30 C ATOM 1283 CD LYS A 79 13.400 4.748 -8.719 1.00 52.41 C ATOM 1284 CE LYS A 79 13.971 6.114 -8.369 1.00 52.01 C ATOM 1285 NZ LYS A 79 14.481 6.827 -9.573 1.00 24.22 N ATOM 0 H LYS A 79 13.366 2.306 -5.997 1.00 2.55 H new ATOM 0 HA LYS A 79 10.664 2.943 -6.175 1.00 31.23 H new ATOM 0 HB2 LYS A 79 12.814 2.324 -8.223 1.00 45.14 H new ATOM 0 HB3 LYS A 79 11.192 2.776 -8.709 1.00 45.14 H new ATOM 0 HG2 LYS A 79 11.410 4.961 -7.945 1.00 41.30 H new ATOM 0 HG3 LYS A 79 12.607 4.540 -6.736 1.00 41.30 H new ATOM 0 HD2 LYS A 79 14.195 4.002 -8.691 1.00 52.41 H new ATOM 0 HD3 LYS A 79 13.014 4.764 -9.738 1.00 52.41 H new ATOM 0 HE2 LYS A 79 13.201 6.717 -7.889 1.00 52.01 H new ATOM 0 HE3 LYS A 79 14.779 5.996 -7.647 1.00 52.01 H new ATOM 0 HZ1 LYS A 79 14.862 7.753 -9.293 1.00 24.22 H new ATOM 0 HZ2 LYS A 79 15.234 6.263 -10.017 1.00 24.22 H new ATOM 0 HZ3 LYS A 79 13.704 6.963 -10.251 1.00 24.22 H new ATOM 1299 N ILE A 80 11.392 -0.109 -7.195 1.00 13.15 N ATOM 1300 CA ILE A 80 10.809 -1.404 -7.523 1.00 24.34 C ATOM 1301 C ILE A 80 9.972 -1.939 -6.366 1.00 74.11 C ATOM 1302 O ILE A 80 8.795 -2.261 -6.536 1.00 2.24 O ATOM 1303 CB ILE A 80 11.896 -2.437 -7.875 1.00 42.01 C ATOM 1304 CG1 ILE A 80 12.384 -2.227 -9.310 1.00 51.11 C ATOM 1305 CG2 ILE A 80 11.363 -3.850 -7.693 1.00 21.24 C ATOM 1306 CD1 ILE A 80 13.630 -1.375 -9.406 1.00 51.21 C ATOM 0 H ILE A 80 12.411 -0.102 -7.156 1.00 13.15 H new ATOM 0 HA ILE A 80 10.169 -1.251 -8.392 1.00 24.34 H new ATOM 0 HB ILE A 80 12.740 -2.298 -7.200 1.00 42.01 H new ATOM 0 HG12 ILE A 80 12.582 -3.198 -9.764 1.00 51.11 H new ATOM 0 HG13 ILE A 80 11.589 -1.760 -9.891 1.00 51.11 H new ATOM 0 HG21 ILE A 80 12.143 -4.568 -7.946 1.00 21.24 H new ATOM 0 HG22 ILE A 80 11.059 -3.994 -6.656 1.00 21.24 H new ATOM 0 HG23 ILE A 80 10.504 -4.002 -8.347 1.00 21.24 H new ATOM 0 HD11 ILE A 80 13.918 -1.269 -10.452 1.00 51.21 H new ATOM 0 HD12 ILE A 80 13.431 -0.391 -8.982 1.00 51.21 H new ATOM 0 HD13 ILE A 80 14.440 -1.851 -8.853 1.00 51.21 H new ATOM 1318 N ILE A 81 10.585 -2.030 -5.191 1.00 10.21 N ATOM 1319 CA ILE A 81 9.895 -2.523 -4.006 1.00 14.24 C ATOM 1320 C ILE A 81 8.657 -1.685 -3.702 1.00 72.53 C ATOM 1321 O ILE A 81 7.629 -2.211 -3.273 1.00 5.32 O ATOM 1322 CB ILE A 81 10.818 -2.518 -2.773 1.00 44.13 C ATOM 1323 CG1 ILE A 81 11.942 -3.542 -2.947 1.00 35.44 C ATOM 1324 CG2 ILE A 81 10.020 -2.808 -1.511 1.00 54.14 C ATOM 1325 CD1 ILE A 81 12.972 -3.502 -1.840 1.00 62.12 C ATOM 0 H ILE A 81 11.558 -1.769 -5.034 1.00 10.21 H new ATOM 0 HA ILE A 81 9.594 -3.548 -4.221 1.00 14.24 H new ATOM 0 HB ILE A 81 11.265 -1.528 -2.676 1.00 44.13 H new ATOM 0 HG12 ILE A 81 11.509 -4.541 -2.993 1.00 35.44 H new ATOM 0 HG13 ILE A 81 12.439 -3.366 -3.901 1.00 35.44 H new ATOM 0 HG21 ILE A 81 10.687 -2.801 -0.649 1.00 54.14 H new ATOM 0 HG22 ILE A 81 9.253 -2.045 -1.382 1.00 54.14 H new ATOM 0 HG23 ILE A 81 9.548 -3.787 -1.596 1.00 54.14 H new ATOM 0 HD11 ILE A 81 13.738 -4.254 -2.029 1.00 62.12 H new ATOM 0 HD12 ILE A 81 13.433 -2.515 -1.807 1.00 62.12 H new ATOM 0 HD13 ILE A 81 12.488 -3.708 -0.885 1.00 62.12 H new ATOM 1337 N ASP A 82 8.761 -0.381 -3.930 1.00 44.03 N ATOM 1338 CA ASP A 82 7.649 0.530 -3.684 1.00 64.24 C ATOM 1339 C ASP A 82 6.543 0.327 -4.715 1.00 32.24 C ATOM 1340 O ASP A 82 5.378 0.149 -4.361 1.00 31.34 O ATOM 1341 CB ASP A 82 8.133 1.980 -3.717 1.00 5.33 C ATOM 1342 CG ASP A 82 7.068 2.957 -3.258 1.00 23.52 C ATOM 1343 OD1 ASP A 82 6.349 2.637 -2.289 1.00 32.42 O ATOM 1344 OD2 ASP A 82 6.953 4.040 -3.868 1.00 45.22 O ATOM 0 H ASP A 82 9.604 0.070 -4.285 1.00 44.03 H new ATOM 0 HA ASP A 82 7.245 0.312 -2.695 1.00 64.24 H new ATOM 0 HB2 ASP A 82 9.013 2.081 -3.081 1.00 5.33 H new ATOM 0 HB3 ASP A 82 8.442 2.234 -4.731 1.00 5.33 H new ATOM 1349 N GLU A 83 6.916 0.356 -5.990 1.00 50.42 N ATOM 1350 CA GLU A 83 5.954 0.177 -7.071 1.00 52.53 C ATOM 1351 C GLU A 83 5.256 -1.175 -6.960 1.00 53.10 C ATOM 1352 O GLU A 83 4.028 -1.258 -7.010 1.00 23.43 O ATOM 1353 CB GLU A 83 6.651 0.294 -8.429 1.00 33.15 C ATOM 1354 CG GLU A 83 7.084 1.710 -8.771 1.00 74.50 C ATOM 1355 CD GLU A 83 5.943 2.556 -9.302 1.00 11.25 C ATOM 1356 OE1 GLU A 83 4.783 2.097 -9.235 1.00 3.25 O ATOM 1357 OE2 GLU A 83 6.209 3.677 -9.784 1.00 23.34 O ATOM 0 H GLU A 83 7.877 0.502 -6.300 1.00 50.42 H new ATOM 0 HA GLU A 83 5.203 0.962 -6.988 1.00 52.53 H new ATOM 0 HB2 GLU A 83 7.526 -0.356 -8.436 1.00 33.15 H new ATOM 0 HB3 GLU A 83 5.978 -0.069 -9.206 1.00 33.15 H new ATOM 0 HG2 GLU A 83 7.500 2.184 -7.882 1.00 74.50 H new ATOM 0 HG3 GLU A 83 7.881 1.673 -9.514 1.00 74.50 H new ATOM 1364 N PHE A 84 6.047 -2.232 -6.810 1.00 11.12 N ATOM 1365 CA PHE A 84 5.506 -3.581 -6.693 1.00 61.20 C ATOM 1366 C PHE A 84 4.743 -3.750 -5.382 1.00 41.24 C ATOM 1367 O PHE A 84 4.009 -4.721 -5.198 1.00 53.33 O ATOM 1368 CB PHE A 84 6.632 -4.614 -6.777 1.00 41.22 C ATOM 1369 CG PHE A 84 7.088 -4.891 -8.181 1.00 52.44 C ATOM 1370 CD1 PHE A 84 7.577 -3.869 -8.979 1.00 51.03 C ATOM 1371 CD2 PHE A 84 7.026 -6.173 -8.704 1.00 5.44 C ATOM 1372 CE1 PHE A 84 7.997 -4.120 -10.272 1.00 24.43 C ATOM 1373 CE2 PHE A 84 7.446 -6.430 -9.995 1.00 71.10 C ATOM 1374 CZ PHE A 84 7.931 -5.403 -10.781 1.00 12.45 C ATOM 0 H PHE A 84 7.065 -2.181 -6.767 1.00 11.12 H new ATOM 0 HA PHE A 84 4.813 -3.740 -7.519 1.00 61.20 H new ATOM 0 HB2 PHE A 84 7.481 -4.263 -6.190 1.00 41.22 H new ATOM 0 HB3 PHE A 84 6.294 -5.546 -6.323 1.00 41.22 H new ATOM 0 HD1 PHE A 84 7.631 -2.864 -8.586 1.00 51.03 H new ATOM 0 HD2 PHE A 84 6.645 -6.980 -8.096 1.00 5.44 H new ATOM 0 HE1 PHE A 84 8.376 -3.315 -10.883 1.00 24.43 H new ATOM 0 HE2 PHE A 84 7.395 -7.434 -10.390 1.00 71.10 H new ATOM 0 HZ PHE A 84 8.258 -5.602 -11.791 1.00 12.45 H new ATOM 1384 N LYS A 85 4.923 -2.797 -4.474 1.00 32.45 N ATOM 1385 CA LYS A 85 4.252 -2.838 -3.179 1.00 41.35 C ATOM 1386 C LYS A 85 4.658 -4.081 -2.395 1.00 30.22 C ATOM 1387 O LYS A 85 3.808 -4.796 -1.864 1.00 34.14 O ATOM 1388 CB LYS A 85 2.734 -2.814 -3.368 1.00 14.30 C ATOM 1389 CG LYS A 85 2.242 -1.637 -4.193 1.00 73.43 C ATOM 1390 CD LYS A 85 2.101 -0.383 -3.348 1.00 2.23 C ATOM 1391 CE LYS A 85 1.814 0.839 -4.207 1.00 1.23 C ATOM 1392 NZ LYS A 85 1.597 2.059 -3.381 1.00 10.21 N ATOM 0 H LYS A 85 5.528 -1.987 -4.610 1.00 32.45 H new ATOM 0 HA LYS A 85 4.556 -1.958 -2.612 1.00 41.35 H new ATOM 0 HB2 LYS A 85 2.422 -3.740 -3.850 1.00 14.30 H new ATOM 0 HB3 LYS A 85 2.255 -2.786 -2.389 1.00 14.30 H new ATOM 0 HG2 LYS A 85 2.937 -1.449 -5.011 1.00 73.43 H new ATOM 0 HG3 LYS A 85 1.280 -1.884 -4.643 1.00 73.43 H new ATOM 0 HD2 LYS A 85 1.296 -0.518 -2.626 1.00 2.23 H new ATOM 0 HD3 LYS A 85 3.016 -0.222 -2.779 1.00 2.23 H new ATOM 0 HE2 LYS A 85 2.647 1.006 -4.890 1.00 1.23 H new ATOM 0 HE3 LYS A 85 0.932 0.653 -4.819 1.00 1.23 H new ATOM 0 HZ1 LYS A 85 1.404 2.870 -4.003 1.00 10.21 H new ATOM 0 HZ2 LYS A 85 0.787 1.909 -2.747 1.00 10.21 H new ATOM 0 HZ3 LYS A 85 2.448 2.251 -2.815 1.00 10.21 H new ATOM 1406 N ILE A 86 5.961 -4.332 -2.325 1.00 71.11 N ATOM 1407 CA ILE A 86 6.478 -5.488 -1.603 1.00 3.41 C ATOM 1408 C ILE A 86 6.566 -5.207 -0.107 1.00 14.24 C ATOM 1409 O ILE A 86 7.227 -4.268 0.336 1.00 1.34 O ATOM 1410 CB ILE A 86 7.870 -5.897 -2.119 1.00 63.10 C ATOM 1411 CG1 ILE A 86 7.873 -5.961 -3.648 1.00 0.03 C ATOM 1412 CG2 ILE A 86 8.282 -7.237 -1.527 1.00 12.32 C ATOM 1413 CD1 ILE A 86 9.230 -6.277 -4.237 1.00 32.21 C ATOM 0 H ILE A 86 6.678 -3.751 -2.759 1.00 71.11 H new ATOM 0 HA ILE A 86 5.780 -6.307 -1.776 1.00 3.41 H new ATOM 0 HB ILE A 86 8.593 -5.145 -1.804 1.00 63.10 H new ATOM 0 HG12 ILE A 86 7.160 -6.718 -3.973 1.00 0.03 H new ATOM 0 HG13 ILE A 86 7.527 -5.006 -4.044 1.00 0.03 H new ATOM 0 HG21 ILE A 86 9.268 -7.512 -1.901 1.00 12.32 H new ATOM 0 HG22 ILE A 86 8.315 -7.160 -0.440 1.00 12.32 H new ATOM 0 HG23 ILE A 86 7.559 -8.000 -1.815 1.00 12.32 H new ATOM 0 HD11 ILE A 86 9.157 -6.306 -5.324 1.00 32.21 H new ATOM 0 HD12 ILE A 86 9.943 -5.507 -3.942 1.00 32.21 H new ATOM 0 HD13 ILE A 86 9.569 -7.246 -3.870 1.00 32.21 H new ATOM 1425 N PRO A 87 5.884 -6.041 0.693 1.00 52.33 N ATOM 1426 CA PRO A 87 5.870 -5.904 2.152 1.00 24.12 C ATOM 1427 C PRO A 87 7.217 -6.248 2.779 1.00 44.50 C ATOM 1428 O PRO A 87 8.040 -6.935 2.172 1.00 35.13 O ATOM 1429 CB PRO A 87 4.804 -6.910 2.593 1.00 53.42 C ATOM 1430 CG PRO A 87 4.768 -7.925 1.504 1.00 72.53 C ATOM 1431 CD PRO A 87 5.074 -7.182 0.233 1.00 0.43 C ATOM 0 HA PRO A 87 5.664 -4.880 2.463 1.00 24.12 H new ATOM 0 HB2 PRO A 87 5.061 -7.365 3.550 1.00 53.42 H new ATOM 0 HB3 PRO A 87 3.834 -6.429 2.718 1.00 53.42 H new ATOM 0 HG2 PRO A 87 5.500 -8.713 1.681 1.00 72.53 H new ATOM 0 HG3 PRO A 87 3.791 -8.404 1.450 1.00 72.53 H new ATOM 0 HD2 PRO A 87 5.622 -7.804 -0.475 1.00 0.43 H new ATOM 0 HD3 PRO A 87 4.164 -6.853 -0.269 1.00 0.43 H new ATOM 1439 N THR A 88 7.438 -5.765 3.998 1.00 41.00 N ATOM 1440 CA THR A 88 8.686 -6.020 4.707 1.00 73.42 C ATOM 1441 C THR A 88 8.670 -7.393 5.370 1.00 2.31 C ATOM 1442 O THR A 88 7.656 -8.090 5.353 1.00 60.42 O ATOM 1443 CB THR A 88 8.952 -4.947 5.779 1.00 23.32 C ATOM 1444 OG1 THR A 88 7.969 -3.911 5.690 1.00 14.51 O ATOM 1445 CG2 THR A 88 10.342 -4.351 5.614 1.00 52.40 C ATOM 0 H THR A 88 6.768 -5.195 4.515 1.00 41.00 H new ATOM 0 HA THR A 88 9.484 -5.987 3.965 1.00 73.42 H new ATOM 0 HB THR A 88 8.891 -5.421 6.759 1.00 23.32 H new ATOM 0 HG1 THR A 88 8.144 -3.234 6.376 1.00 14.51 H new ATOM 0 HG21 THR A 88 10.507 -3.596 6.382 1.00 52.40 H new ATOM 0 HG22 THR A 88 11.089 -5.138 5.712 1.00 52.40 H new ATOM 0 HG23 THR A 88 10.426 -3.892 4.629 1.00 52.40 H new ATOM 1453 N VAL A 89 9.801 -7.775 5.956 1.00 52.24 N ATOM 1454 CA VAL A 89 9.916 -9.064 6.627 1.00 44.11 C ATOM 1455 C VAL A 89 8.815 -9.243 7.666 1.00 62.22 C ATOM 1456 O VAL A 89 8.031 -10.188 7.595 1.00 35.43 O ATOM 1457 CB VAL A 89 11.286 -9.218 7.315 1.00 51.33 C ATOM 1458 CG1 VAL A 89 11.455 -10.628 7.860 1.00 55.31 C ATOM 1459 CG2 VAL A 89 12.409 -8.873 6.348 1.00 31.20 C ATOM 0 H VAL A 89 10.650 -7.210 5.979 1.00 52.24 H new ATOM 0 HA VAL A 89 9.815 -9.831 5.859 1.00 44.11 H new ATOM 0 HB VAL A 89 11.332 -8.523 8.153 1.00 51.33 H new ATOM 0 HG11 VAL A 89 12.428 -10.717 8.342 1.00 55.31 H new ATOM 0 HG12 VAL A 89 10.670 -10.834 8.587 1.00 55.31 H new ATOM 0 HG13 VAL A 89 11.388 -11.345 7.042 1.00 55.31 H new ATOM 0 HG21 VAL A 89 13.370 -8.987 6.850 1.00 31.20 H new ATOM 0 HG22 VAL A 89 12.367 -9.542 5.488 1.00 31.20 H new ATOM 0 HG23 VAL A 89 12.296 -7.842 6.012 1.00 31.20 H new ATOM 1469 N GLU A 90 8.763 -8.329 8.629 1.00 3.32 N ATOM 1470 CA GLU A 90 7.758 -8.387 9.683 1.00 15.23 C ATOM 1471 C GLU A 90 6.360 -8.548 9.093 1.00 15.12 C ATOM 1472 O GLU A 90 5.582 -9.393 9.536 1.00 41.20 O ATOM 1473 CB GLU A 90 7.817 -7.124 10.545 1.00 33.04 C ATOM 1474 CG GLU A 90 9.066 -7.032 11.406 1.00 72.33 C ATOM 1475 CD GLU A 90 9.176 -5.707 12.134 1.00 23.13 C ATOM 1476 OE1 GLU A 90 8.131 -5.177 12.564 1.00 52.50 O ATOM 1477 OE2 GLU A 90 10.309 -5.201 12.275 1.00 44.20 O ATOM 0 H GLU A 90 9.405 -7.540 8.701 1.00 3.32 H new ATOM 0 HA GLU A 90 7.973 -9.254 10.307 1.00 15.23 H new ATOM 0 HB2 GLU A 90 7.768 -6.249 9.897 1.00 33.04 H new ATOM 0 HB3 GLU A 90 6.939 -7.093 11.190 1.00 33.04 H new ATOM 0 HG2 GLU A 90 9.061 -7.843 12.134 1.00 72.33 H new ATOM 0 HG3 GLU A 90 9.946 -7.172 10.779 1.00 72.33 H new ATOM 1484 N GLN A 91 6.048 -7.731 8.092 1.00 5.21 N ATOM 1485 CA GLN A 91 4.744 -7.782 7.442 1.00 2.33 C ATOM 1486 C GLN A 91 4.456 -9.181 6.909 1.00 61.12 C ATOM 1487 O GLN A 91 3.328 -9.666 6.990 1.00 73.52 O ATOM 1488 CB GLN A 91 4.679 -6.765 6.301 1.00 2.25 C ATOM 1489 CG GLN A 91 5.108 -5.364 6.710 1.00 73.55 C ATOM 1490 CD GLN A 91 4.452 -4.905 7.997 1.00 72.41 C ATOM 1491 OE1 GLN A 91 3.226 -4.867 8.103 1.00 33.43 O ATOM 1492 NE2 GLN A 91 5.267 -4.554 8.984 1.00 2.33 N ATOM 0 H GLN A 91 6.681 -7.026 7.714 1.00 5.21 H new ATOM 0 HA GLN A 91 3.986 -7.533 8.185 1.00 2.33 H new ATOM 0 HB2 GLN A 91 5.314 -7.107 5.484 1.00 2.25 H new ATOM 0 HB3 GLN A 91 3.660 -6.726 5.917 1.00 2.25 H new ATOM 0 HG2 GLN A 91 6.191 -5.340 6.830 1.00 73.55 H new ATOM 0 HG3 GLN A 91 4.861 -4.665 5.911 1.00 73.55 H new ATOM 0 HE21 GLN A 91 6.277 -4.601 8.852 1.00 2.33 H new ATOM 0 HE22 GLN A 91 4.883 -4.237 9.874 1.00 2.33 H new ATOM 1501 N TRP A 92 5.483 -9.824 6.364 1.00 55.43 N ATOM 1502 CA TRP A 92 5.339 -11.168 5.816 1.00 11.12 C ATOM 1503 C TRP A 92 4.928 -12.157 6.902 1.00 50.34 C ATOM 1504 O TRP A 92 3.994 -12.939 6.722 1.00 1.32 O ATOM 1505 CB TRP A 92 6.648 -11.619 5.167 1.00 24.12 C ATOM 1506 CG TRP A 92 6.567 -12.983 4.550 1.00 13.43 C ATOM 1507 CD1 TRP A 92 5.570 -13.461 3.748 1.00 2.21 C ATOM 1508 CD2 TRP A 92 7.518 -14.044 4.687 1.00 3.51 C ATOM 1509 NE1 TRP A 92 5.845 -14.755 3.378 1.00 20.31 N ATOM 1510 CE2 TRP A 92 7.035 -15.136 3.940 1.00 12.33 C ATOM 1511 CE3 TRP A 92 8.732 -14.177 5.366 1.00 44.41 C ATOM 1512 CZ2 TRP A 92 7.724 -16.343 3.856 1.00 14.31 C ATOM 1513 CZ3 TRP A 92 9.415 -15.375 5.282 1.00 73.44 C ATOM 1514 CH2 TRP A 92 8.910 -16.445 4.531 1.00 73.32 C ATOM 0 H TRP A 92 6.424 -9.437 6.290 1.00 55.43 H new ATOM 0 HA TRP A 92 4.556 -11.143 5.058 1.00 11.12 H new ATOM 0 HB2 TRP A 92 6.932 -10.898 4.401 1.00 24.12 H new ATOM 0 HB3 TRP A 92 7.438 -11.614 5.918 1.00 24.12 H new ATOM 0 HD1 TRP A 92 4.695 -12.904 3.449 1.00 2.21 H new ATOM 0 HE1 TRP A 92 5.258 -15.338 2.781 1.00 20.31 H new ATOM 0 HE3 TRP A 92 9.129 -13.358 5.946 1.00 44.41 H new ATOM 0 HZ2 TRP A 92 7.336 -17.169 3.279 1.00 14.31 H new ATOM 0 HZ3 TRP A 92 10.354 -15.489 5.804 1.00 73.44 H new ATOM 0 HH2 TRP A 92 9.468 -17.369 4.484 1.00 73.32 H new ATOM 1525 N LYS A 93 5.631 -12.117 8.029 1.00 73.23 N ATOM 1526 CA LYS A 93 5.338 -13.009 9.145 1.00 43.32 C ATOM 1527 C LYS A 93 3.898 -12.835 9.617 1.00 63.31 C ATOM 1528 O LYS A 93 3.158 -13.810 9.753 1.00 40.42 O ATOM 1529 CB LYS A 93 6.302 -12.742 10.303 1.00 13.34 C ATOM 1530 CG LYS A 93 7.639 -13.447 10.158 1.00 71.35 C ATOM 1531 CD LYS A 93 8.736 -12.728 10.924 1.00 14.35 C ATOM 1532 CE LYS A 93 9.270 -11.535 10.146 1.00 70.32 C ATOM 1533 NZ LYS A 93 9.956 -10.556 11.033 1.00 0.22 N ATOM 0 H LYS A 93 6.408 -11.477 8.194 1.00 73.23 H new ATOM 0 HA LYS A 93 5.467 -14.035 8.802 1.00 43.32 H new ATOM 0 HB2 LYS A 93 6.474 -11.668 10.381 1.00 13.34 H new ATOM 0 HB3 LYS A 93 5.833 -13.059 11.235 1.00 13.34 H new ATOM 0 HG2 LYS A 93 7.552 -14.471 10.521 1.00 71.35 H new ATOM 0 HG3 LYS A 93 7.908 -13.504 9.103 1.00 71.35 H new ATOM 0 HD2 LYS A 93 8.349 -12.392 11.886 1.00 14.35 H new ATOM 0 HD3 LYS A 93 9.550 -13.422 11.132 1.00 14.35 H new ATOM 0 HE2 LYS A 93 9.965 -11.882 9.382 1.00 70.32 H new ATOM 0 HE3 LYS A 93 8.447 -11.042 9.628 1.00 70.32 H new ATOM 0 HZ1 LYS A 93 10.049 -9.646 10.539 1.00 0.22 H new ATOM 0 HZ2 LYS A 93 9.398 -10.424 11.901 1.00 0.22 H new ATOM 0 HZ3 LYS A 93 10.901 -10.914 11.280 1.00 0.22 H new ATOM 1547 N ASP A 94 3.507 -11.590 9.864 1.00 45.12 N ATOM 1548 CA ASP A 94 2.155 -11.289 10.318 1.00 12.11 C ATOM 1549 C ASP A 94 1.121 -11.790 9.315 1.00 35.21 C ATOM 1550 O ASP A 94 0.182 -12.499 9.679 1.00 4.53 O ATOM 1551 CB ASP A 94 1.989 -9.783 10.531 1.00 32.54 C ATOM 1552 CG ASP A 94 0.541 -9.384 10.736 1.00 53.14 C ATOM 1553 OD1 ASP A 94 0.029 -9.563 11.860 1.00 21.14 O ATOM 1554 OD2 ASP A 94 -0.081 -8.893 9.770 1.00 15.22 O ATOM 0 H ASP A 94 4.108 -10.773 9.757 1.00 45.12 H new ATOM 0 HA ASP A 94 1.994 -11.802 11.266 1.00 12.11 H new ATOM 0 HB2 ASP A 94 2.574 -9.475 11.398 1.00 32.54 H new ATOM 0 HB3 ASP A 94 2.391 -9.250 9.669 1.00 32.54 H new ATOM 1559 N GLN A 95 1.299 -11.417 8.052 1.00 12.52 N ATOM 1560 CA GLN A 95 0.379 -11.827 6.998 1.00 65.25 C ATOM 1561 C GLN A 95 0.151 -13.335 7.031 1.00 44.23 C ATOM 1562 O GLN A 95 -0.988 -13.801 7.064 1.00 21.12 O ATOM 1563 CB GLN A 95 0.922 -11.411 5.629 1.00 74.41 C ATOM 1564 CG GLN A 95 0.927 -9.907 5.408 1.00 24.41 C ATOM 1565 CD GLN A 95 2.050 -9.456 4.495 1.00 2.11 C ATOM 1566 OE1 GLN A 95 2.730 -8.466 4.770 1.00 75.40 O ATOM 1567 NE2 GLN A 95 2.252 -10.181 3.401 1.00 53.11 N ATOM 0 H GLN A 95 2.072 -10.832 7.734 1.00 12.52 H new ATOM 0 HA GLN A 95 -0.576 -11.330 7.169 1.00 65.25 H new ATOM 0 HB2 GLN A 95 1.938 -11.789 5.520 1.00 74.41 H new ATOM 0 HB3 GLN A 95 0.322 -11.882 4.851 1.00 74.41 H new ATOM 0 HG2 GLN A 95 -0.028 -9.603 4.980 1.00 24.41 H new ATOM 0 HG3 GLN A 95 1.021 -9.402 6.370 1.00 24.41 H new ATOM 0 HE21 GLN A 95 1.665 -10.994 3.212 1.00 53.11 H new ATOM 0 HE22 GLN A 95 2.994 -9.925 2.750 1.00 53.11 H new ATOM 1576 N THR A 96 1.243 -14.094 7.021 1.00 51.13 N ATOM 1577 CA THR A 96 1.162 -15.549 7.048 1.00 2.20 C ATOM 1578 C THR A 96 0.402 -16.034 8.277 1.00 74.33 C ATOM 1579 O THR A 96 -0.375 -16.987 8.202 1.00 44.05 O ATOM 1580 CB THR A 96 2.563 -16.189 7.039 1.00 30.41 C ATOM 1581 OG1 THR A 96 3.504 -15.318 7.676 1.00 21.45 O ATOM 1582 CG2 THR A 96 3.016 -16.480 5.616 1.00 1.03 C ATOM 0 H THR A 96 2.193 -13.725 6.994 1.00 51.13 H new ATOM 0 HA THR A 96 0.626 -15.853 6.149 1.00 2.20 H new ATOM 0 HB THR A 96 2.512 -17.130 7.587 1.00 30.41 H new ATOM 0 HG1 THR A 96 3.225 -15.155 8.601 1.00 21.45 H new ATOM 0 HG21 THR A 96 4.008 -16.932 5.635 1.00 1.03 H new ATOM 0 HG22 THR A 96 2.314 -17.167 5.144 1.00 1.03 H new ATOM 0 HG23 THR A 96 3.052 -15.550 5.048 1.00 1.03 H new ATOM 1590 N ARG A 97 0.629 -15.373 9.407 1.00 71.20 N ATOM 1591 CA ARG A 97 -0.035 -15.738 10.652 1.00 32.54 C ATOM 1592 C ARG A 97 -1.551 -15.643 10.508 1.00 13.25 C ATOM 1593 O ARG A 97 -2.283 -16.539 10.930 1.00 25.02 O ATOM 1594 CB ARG A 97 0.438 -14.834 11.792 1.00 53.33 C ATOM 1595 CG ARG A 97 1.900 -15.028 12.157 1.00 62.30 C ATOM 1596 CD ARG A 97 2.057 -15.951 13.356 1.00 41.51 C ATOM 1597 NE ARG A 97 1.477 -15.377 14.567 1.00 2.13 N ATOM 1598 CZ ARG A 97 1.356 -16.043 15.710 1.00 12.54 C ATOM 1599 NH1 ARG A 97 1.772 -17.298 15.798 1.00 62.35 N ATOM 1600 NH2 ARG A 97 0.817 -15.452 16.770 1.00 44.24 N ATOM 0 H ARG A 97 1.268 -14.582 9.486 1.00 71.20 H new ATOM 0 HA ARG A 97 0.226 -16.770 10.884 1.00 32.54 H new ATOM 0 HB2 ARG A 97 0.278 -13.794 11.509 1.00 53.33 H new ATOM 0 HB3 ARG A 97 -0.176 -15.023 12.673 1.00 53.33 H new ATOM 0 HG2 ARG A 97 2.437 -15.443 11.304 1.00 62.30 H new ATOM 0 HG3 ARG A 97 2.352 -14.061 12.379 1.00 62.30 H new ATOM 0 HD2 ARG A 97 1.579 -16.907 13.143 1.00 41.51 H new ATOM 0 HD3 ARG A 97 3.115 -16.154 13.522 1.00 41.51 H new ATOM 0 HE ARG A 97 1.147 -14.412 14.533 1.00 2.13 H new ATOM 0 HH11 ARG A 97 2.187 -17.756 14.986 1.00 62.35 H new ATOM 0 HH12 ARG A 97 1.677 -17.806 16.677 1.00 62.35 H new ATOM 0 HH21 ARG A 97 0.496 -14.486 16.707 1.00 44.24 H new ATOM 0 HH22 ARG A 97 0.724 -15.964 17.647 1.00 44.24 H new ATOM 1614 N ARG A 98 -2.016 -14.551 9.911 1.00 51.51 N ATOM 1615 CA ARG A 98 -3.445 -14.337 9.713 1.00 4.01 C ATOM 1616 C ARG A 98 -4.023 -15.379 8.760 1.00 51.53 C ATOM 1617 O ARG A 98 -5.085 -15.948 9.016 1.00 45.44 O ATOM 1618 CB ARG A 98 -3.701 -12.931 9.166 1.00 21.44 C ATOM 1619 CG ARG A 98 -2.971 -11.838 9.930 1.00 32.40 C ATOM 1620 CD ARG A 98 -3.119 -12.015 11.433 1.00 14.01 C ATOM 1621 NE ARG A 98 -4.520 -12.076 11.842 1.00 52.24 N ATOM 1622 CZ ARG A 98 -4.937 -11.827 13.078 1.00 4.21 C ATOM 1623 NH1 ARG A 98 -4.064 -11.501 14.022 1.00 33.30 N ATOM 1624 NH2 ARG A 98 -6.228 -11.903 13.372 1.00 13.44 N ATOM 0 H ARG A 98 -1.424 -13.800 9.556 1.00 51.51 H new ATOM 0 HA ARG A 98 -3.940 -14.439 10.679 1.00 4.01 H new ATOM 0 HB2 ARG A 98 -3.397 -12.896 8.120 1.00 21.44 H new ATOM 0 HB3 ARG A 98 -4.772 -12.729 9.194 1.00 21.44 H new ATOM 0 HG2 ARG A 98 -1.914 -11.850 9.663 1.00 32.40 H new ATOM 0 HG3 ARG A 98 -3.363 -10.864 9.637 1.00 32.40 H new ATOM 0 HD2 ARG A 98 -2.611 -12.929 11.742 1.00 14.01 H new ATOM 0 HD3 ARG A 98 -2.627 -11.188 11.945 1.00 14.01 H new ATOM 0 HE ARG A 98 -5.217 -12.324 11.139 1.00 52.24 H new ATOM 0 HH11 ARG A 98 -3.070 -11.441 13.799 1.00 33.30 H new ATOM 0 HH12 ARG A 98 -4.386 -11.310 14.971 1.00 33.30 H new ATOM 0 HH21 ARG A 98 -6.902 -12.153 12.648 1.00 13.44 H new ATOM 0 HH22 ARG A 98 -6.547 -11.712 14.322 1.00 13.44 H new ATOM 1638 N TYR A 99 -3.319 -15.622 7.660 1.00 23.22 N ATOM 1639 CA TYR A 99 -3.763 -16.593 6.667 1.00 14.30 C ATOM 1640 C TYR A 99 -3.710 -18.010 7.229 1.00 60.25 C ATOM 1641 O TYR A 99 -4.434 -18.898 6.777 1.00 41.11 O ATOM 1642 CB TYR A 99 -2.900 -16.498 5.408 1.00 4.12 C ATOM 1643 CG TYR A 99 -3.194 -17.576 4.389 1.00 3.35 C ATOM 1644 CD1 TYR A 99 -4.491 -17.808 3.949 1.00 43.32 C ATOM 1645 CD2 TYR A 99 -2.174 -18.362 3.867 1.00 41.32 C ATOM 1646 CE1 TYR A 99 -4.764 -18.792 3.019 1.00 41.12 C ATOM 1647 CE2 TYR A 99 -2.438 -19.347 2.935 1.00 24.23 C ATOM 1648 CZ TYR A 99 -3.734 -19.559 2.515 1.00 51.21 C ATOM 1649 OH TYR A 99 -4.002 -20.539 1.587 1.00 21.32 O ATOM 0 H TYR A 99 -2.438 -15.160 7.433 1.00 23.22 H new ATOM 0 HA TYR A 99 -4.797 -16.363 6.408 1.00 14.30 H new ATOM 0 HB2 TYR A 99 -3.052 -15.522 4.946 1.00 4.12 H new ATOM 0 HB3 TYR A 99 -1.849 -16.556 5.693 1.00 4.12 H new ATOM 0 HD1 TYR A 99 -5.300 -17.209 4.341 1.00 43.32 H new ATOM 0 HD2 TYR A 99 -1.158 -18.200 4.195 1.00 41.32 H new ATOM 0 HE1 TYR A 99 -5.778 -18.960 2.688 1.00 41.12 H new ATOM 0 HE2 TYR A 99 -1.633 -19.948 2.537 1.00 24.23 H new ATOM 0 HH TYR A 99 -3.168 -20.986 1.333 1.00 21.32 H new ATOM 1659 N LYS A 100 -2.847 -18.215 8.218 1.00 70.52 N ATOM 1660 CA LYS A 100 -2.698 -19.523 8.845 1.00 70.43 C ATOM 1661 C LYS A 100 -3.682 -19.689 9.998 1.00 31.13 C ATOM 1662 O LYS A 100 -4.061 -20.807 10.346 1.00 55.21 O ATOM 1663 CB LYS A 100 -1.266 -19.709 9.351 1.00 1.35 C ATOM 1664 CG LYS A 100 -0.302 -20.199 8.285 1.00 70.10 C ATOM 1665 CD LYS A 100 1.139 -19.881 8.647 1.00 21.31 C ATOM 1666 CE LYS A 100 1.813 -21.058 9.337 1.00 13.53 C ATOM 1667 NZ LYS A 100 1.970 -20.826 10.800 1.00 71.40 N ATOM 0 H LYS A 100 -2.240 -17.492 8.603 1.00 70.52 H new ATOM 0 HA LYS A 100 -2.913 -20.284 8.095 1.00 70.43 H new ATOM 0 HB2 LYS A 100 -0.904 -18.761 9.748 1.00 1.35 H new ATOM 0 HB3 LYS A 100 -1.271 -20.419 10.178 1.00 1.35 H new ATOM 0 HG2 LYS A 100 -0.417 -21.275 8.157 1.00 70.10 H new ATOM 0 HG3 LYS A 100 -0.549 -19.736 7.330 1.00 70.10 H new ATOM 0 HD2 LYS A 100 1.693 -19.621 7.745 1.00 21.31 H new ATOM 0 HD3 LYS A 100 1.167 -19.010 9.301 1.00 21.31 H new ATOM 0 HE2 LYS A 100 1.225 -21.961 9.173 1.00 13.53 H new ATOM 0 HE3 LYS A 100 2.792 -21.230 8.889 1.00 13.53 H new ATOM 0 HZ1 LYS A 100 2.433 -21.650 11.234 1.00 71.40 H new ATOM 0 HZ2 LYS A 100 2.553 -19.979 10.957 1.00 71.40 H new ATOM 0 HZ3 LYS A 100 1.034 -20.687 11.232 1.00 71.40 H new ATOM 1681 N GLU A 101 -4.092 -18.569 10.586 1.00 31.41 N ATOM 1682 CA GLU A 101 -5.033 -18.592 11.700 1.00 62.50 C ATOM 1683 C GLU A 101 -6.467 -18.433 11.204 1.00 32.31 C ATOM 1684 O GLU A 101 -6.717 -18.379 10.000 1.00 45.41 O ATOM 1685 CB GLU A 101 -4.701 -17.483 12.700 1.00 51.33 C ATOM 1686 CG GLU A 101 -5.293 -16.133 12.329 1.00 5.03 C ATOM 1687 CD GLU A 101 -4.743 -15.003 13.178 1.00 53.42 C ATOM 1688 OE1 GLU A 101 -3.577 -14.611 12.963 1.00 73.02 O ATOM 1689 OE2 GLU A 101 -5.481 -14.510 14.057 1.00 4.51 O ATOM 0 H GLU A 101 -3.788 -17.636 10.310 1.00 31.41 H new ATOM 0 HA GLU A 101 -4.944 -19.558 12.197 1.00 62.50 H new ATOM 0 HB2 GLU A 101 -5.066 -17.772 13.685 1.00 51.33 H new ATOM 0 HB3 GLU A 101 -3.618 -17.387 12.777 1.00 51.33 H new ATOM 0 HG2 GLU A 101 -5.088 -15.927 11.279 1.00 5.03 H new ATOM 0 HG3 GLU A 101 -6.377 -16.172 12.440 1.00 5.03 H new ATOM 1696 N SER A 102 -7.407 -18.360 12.142 1.00 65.33 N ATOM 1697 CA SER A 102 -8.817 -18.212 11.801 1.00 4.11 C ATOM 1698 C SER A 102 -9.025 -17.040 10.847 1.00 65.04 C ATOM 1699 O SER A 102 -8.194 -16.135 10.767 1.00 62.22 O ATOM 1700 CB SER A 102 -9.650 -18.007 13.067 1.00 12.05 C ATOM 1701 OG SER A 102 -11.027 -18.221 12.812 1.00 54.13 O ATOM 0 H SER A 102 -7.217 -18.401 13.143 1.00 65.33 H new ATOM 0 HA SER A 102 -9.143 -19.125 11.303 1.00 4.11 H new ATOM 0 HB2 SER A 102 -9.310 -18.692 13.844 1.00 12.05 H new ATOM 0 HB3 SER A 102 -9.500 -16.996 13.445 1.00 12.05 H new ATOM 0 HG SER A 102 -11.537 -18.085 13.637 1.00 54.13 H new ATOM 1707 N SER A 103 -10.140 -17.064 10.124 1.00 61.31 N ATOM 1708 CA SER A 103 -10.457 -16.007 9.171 1.00 3.44 C ATOM 1709 C SER A 103 -11.184 -14.856 9.860 1.00 52.33 C ATOM 1710 O SER A 103 -11.485 -14.922 11.052 1.00 42.20 O ATOM 1711 CB SER A 103 -11.315 -16.558 8.031 1.00 21.33 C ATOM 1712 OG SER A 103 -12.121 -17.636 8.475 1.00 23.21 O ATOM 0 H SER A 103 -10.839 -17.804 10.180 1.00 61.31 H new ATOM 0 HA SER A 103 -9.521 -15.629 8.760 1.00 3.44 H new ATOM 0 HB2 SER A 103 -11.949 -15.766 7.633 1.00 21.33 H new ATOM 0 HB3 SER A 103 -10.672 -16.892 7.216 1.00 21.33 H new ATOM 0 HG SER A 103 -12.661 -17.970 7.729 1.00 23.21 H new ATOM 1718 N ILE A 104 -11.464 -13.802 9.100 1.00 63.12 N ATOM 1719 CA ILE A 104 -12.157 -12.637 9.635 1.00 4.13 C ATOM 1720 C ILE A 104 -13.603 -12.588 9.154 1.00 45.45 C ATOM 1721 O ILE A 104 -13.964 -13.246 8.179 1.00 53.34 O ATOM 1722 CB ILE A 104 -11.449 -11.328 9.236 1.00 73.52 C ATOM 1723 CG1 ILE A 104 -9.932 -11.527 9.223 1.00 51.31 C ATOM 1724 CG2 ILE A 104 -11.834 -10.206 10.188 1.00 32.21 C ATOM 1725 CD1 ILE A 104 -9.377 -12.028 10.537 1.00 31.55 C ATOM 0 H ILE A 104 -11.221 -13.731 8.112 1.00 63.12 H new ATOM 0 HA ILE A 104 -12.142 -12.732 10.721 1.00 4.13 H new ATOM 0 HB ILE A 104 -11.769 -11.051 8.231 1.00 73.52 H new ATOM 0 HG12 ILE A 104 -9.673 -12.235 8.435 1.00 51.31 H new ATOM 0 HG13 ILE A 104 -9.452 -10.581 8.972 1.00 51.31 H new ATOM 0 HG21 ILE A 104 -11.326 -9.288 9.893 1.00 32.21 H new ATOM 0 HG22 ILE A 104 -12.912 -10.052 10.151 1.00 32.21 H new ATOM 0 HG23 ILE A 104 -11.540 -10.473 11.203 1.00 32.21 H new ATOM 0 HD11 ILE A 104 -8.297 -12.146 10.454 1.00 31.55 H new ATOM 0 HD12 ILE A 104 -9.604 -11.310 11.325 1.00 31.55 H new ATOM 0 HD13 ILE A 104 -9.829 -12.989 10.780 1.00 31.55 H new ATOM 1737 N GLN A 105 -14.424 -11.802 9.843 1.00 43.03 N ATOM 1738 CA GLN A 105 -15.830 -11.666 9.484 1.00 74.01 C ATOM 1739 C GLN A 105 -15.984 -11.311 8.009 1.00 40.33 C ATOM 1740 O GLN A 105 -15.002 -11.021 7.325 1.00 62.34 O ATOM 1741 CB GLN A 105 -16.499 -10.597 10.350 1.00 25.14 C ATOM 1742 CG GLN A 105 -16.113 -9.177 9.969 1.00 14.23 C ATOM 1743 CD GLN A 105 -16.266 -8.202 11.120 1.00 24.14 C ATOM 1744 OE1 GLN A 105 -16.629 -8.588 12.232 1.00 40.12 O ATOM 1745 NE2 GLN A 105 -15.988 -6.930 10.860 1.00 44.01 N ATOM 0 H GLN A 105 -14.140 -11.250 10.652 1.00 43.03 H new ATOM 0 HA GLN A 105 -16.318 -12.625 9.661 1.00 74.01 H new ATOM 0 HB2 GLN A 105 -17.581 -10.704 10.273 1.00 25.14 H new ATOM 0 HB3 GLN A 105 -16.235 -10.769 11.394 1.00 25.14 H new ATOM 0 HG2 GLN A 105 -15.079 -9.166 9.623 1.00 14.23 H new ATOM 0 HG3 GLN A 105 -16.732 -8.848 9.134 1.00 14.23 H new ATOM 0 HE21 GLN A 105 -15.690 -6.654 9.924 1.00 44.01 H new ATOM 0 HE22 GLN A 105 -16.072 -6.229 11.596 1.00 44.01 H new ATOM 1754 N ILE A 106 -17.221 -11.335 7.525 1.00 13.01 N ATOM 1755 CA ILE A 106 -17.503 -11.015 6.131 1.00 3.43 C ATOM 1756 C ILE A 106 -18.402 -9.788 6.020 1.00 43.12 C ATOM 1757 O ILE A 106 -19.621 -9.884 6.154 1.00 62.53 O ATOM 1758 CB ILE A 106 -18.173 -12.196 5.406 1.00 35.34 C ATOM 1759 CG1 ILE A 106 -17.287 -13.441 5.485 1.00 42.21 C ATOM 1760 CG2 ILE A 106 -18.461 -11.834 3.957 1.00 64.42 C ATOM 1761 CD1 ILE A 106 -17.933 -14.598 6.214 1.00 61.12 C ATOM 0 H ILE A 106 -18.045 -11.573 8.078 1.00 13.01 H new ATOM 0 HA ILE A 106 -16.545 -10.805 5.656 1.00 3.43 H new ATOM 0 HB ILE A 106 -19.120 -12.416 5.899 1.00 35.34 H new ATOM 0 HG12 ILE A 106 -17.029 -13.758 4.475 1.00 42.21 H new ATOM 0 HG13 ILE A 106 -16.354 -13.182 5.986 1.00 42.21 H new ATOM 0 HG21 ILE A 106 -18.935 -12.679 3.458 1.00 64.42 H new ATOM 0 HG22 ILE A 106 -19.128 -10.972 3.923 1.00 64.42 H new ATOM 0 HG23 ILE A 106 -17.527 -11.590 3.450 1.00 64.42 H new ATOM 0 HD11 ILE A 106 -17.248 -15.445 6.231 1.00 61.12 H new ATOM 0 HD12 ILE A 106 -18.166 -14.299 7.236 1.00 61.12 H new ATOM 0 HD13 ILE A 106 -18.851 -14.884 5.701 1.00 61.12 H new ATOM 1773 N GLY A 107 -17.790 -8.633 5.772 1.00 74.42 N ATOM 1774 CA GLY A 107 -18.551 -7.404 5.644 1.00 2.14 C ATOM 1775 C GLY A 107 -18.123 -6.579 4.446 1.00 34.35 C ATOM 1776 O GLY A 107 -17.047 -5.983 4.447 1.00 32.31 O ATOM 0 H GLY A 107 -16.782 -8.527 5.658 1.00 74.42 H new ATOM 0 HA2 GLY A 107 -19.611 -7.644 5.556 1.00 2.14 H new ATOM 0 HA3 GLY A 107 -18.433 -6.811 6.551 1.00 2.14 H new ATOM 1780 N ASN A 108 -18.968 -6.546 3.421 1.00 72.41 N ATOM 1781 CA ASN A 108 -18.671 -5.790 2.210 1.00 63.53 C ATOM 1782 C ASN A 108 -18.896 -4.298 2.431 1.00 40.21 C ATOM 1783 O ASN A 108 -19.921 -3.888 2.975 1.00 44.24 O ATOM 1784 CB ASN A 108 -19.540 -6.282 1.050 1.00 25.43 C ATOM 1785 CG ASN A 108 -21.002 -5.926 1.232 1.00 33.02 C ATOM 1786 OD1 ASN A 108 -21.426 -4.815 0.914 1.00 52.11 O ATOM 1787 ND2 ASN A 108 -21.782 -6.870 1.747 1.00 65.10 N ATOM 0 H ASN A 108 -19.864 -7.034 3.405 1.00 72.41 H new ATOM 0 HA ASN A 108 -17.622 -5.948 1.962 1.00 63.53 H new ATOM 0 HB2 ASN A 108 -19.177 -5.849 0.118 1.00 25.43 H new ATOM 0 HB3 ASN A 108 -19.441 -7.364 0.959 1.00 25.43 H new ATOM 0 HD21 ASN A 108 -22.775 -6.688 1.893 1.00 65.10 H new ATOM 0 HD22 ASN A 108 -21.388 -7.777 1.996 1.00 65.10 H new ATOM 1794 N GLY A 109 -17.930 -3.489 2.004 1.00 33.45 N ATOM 1795 CA GLY A 109 -18.042 -2.051 2.164 1.00 32.33 C ATOM 1796 C GLY A 109 -18.065 -1.320 0.836 1.00 35.55 C ATOM 1797 O GLY A 109 -17.023 -1.114 0.215 1.00 43.40 O ATOM 0 H GLY A 109 -17.073 -3.804 1.550 1.00 33.45 H new ATOM 0 HA2 GLY A 109 -18.952 -1.820 2.718 1.00 32.33 H new ATOM 0 HA3 GLY A 109 -17.205 -1.689 2.760 1.00 32.33 H new ATOM 1801 N HIS A 110 -19.258 -0.929 0.399 1.00 72.43 N ATOM 1802 CA HIS A 110 -19.413 -0.218 -0.865 1.00 71.22 C ATOM 1803 C HIS A 110 -20.543 0.803 -0.779 1.00 10.42 C ATOM 1804 O HIS A 110 -21.447 0.675 0.045 1.00 13.34 O ATOM 1805 CB HIS A 110 -19.688 -1.205 -2.000 1.00 33.52 C ATOM 1806 CG HIS A 110 -19.299 -0.689 -3.351 1.00 31.02 C ATOM 1807 ND1 HIS A 110 -20.147 -0.712 -4.438 1.00 42.11 N ATOM 1808 CD2 HIS A 110 -18.145 -0.132 -3.787 1.00 12.21 C ATOM 1809 CE1 HIS A 110 -19.531 -0.193 -5.485 1.00 4.20 C ATOM 1810 NE2 HIS A 110 -18.315 0.168 -5.116 1.00 65.53 N ATOM 0 H HIS A 110 -20.131 -1.092 0.901 1.00 72.43 H new ATOM 0 HA HIS A 110 -18.483 0.312 -1.071 1.00 71.22 H new ATOM 0 HB2 HIS A 110 -19.147 -2.131 -1.804 1.00 33.52 H new ATOM 0 HB3 HIS A 110 -20.750 -1.452 -2.006 1.00 33.52 H new ATOM 0 HD2 HIS A 110 -17.256 0.044 -3.199 1.00 12.21 H new ATOM 0 HE1 HIS A 110 -19.950 -0.083 -6.474 1.00 4.20 H new ATOM 0 HE2 HIS A 110 -17.616 0.600 -5.720 1.00 65.53 H new ATOM 1818 N GLY A 111 -20.484 1.819 -1.635 1.00 64.45 N ATOM 1819 CA GLY A 111 -21.507 2.848 -1.638 1.00 61.44 C ATOM 1820 C GLY A 111 -21.038 4.130 -2.296 1.00 44.12 C ATOM 1821 O GLY A 111 -20.131 4.795 -1.796 1.00 63.03 O ATOM 0 H GLY A 111 -19.745 1.948 -2.327 1.00 64.45 H new ATOM 0 HA2 GLY A 111 -22.389 2.477 -2.160 1.00 61.44 H new ATOM 0 HA3 GLY A 111 -21.809 3.059 -0.612 1.00 61.44 H new ATOM 1825 N GLN A 112 -21.655 4.477 -3.421 1.00 33.12 N ATOM 1826 CA GLN A 112 -21.293 5.687 -4.149 1.00 10.22 C ATOM 1827 C GLN A 112 -22.222 5.905 -5.339 1.00 4.21 C ATOM 1828 O GLN A 112 -22.725 4.949 -5.929 1.00 42.43 O ATOM 1829 CB GLN A 112 -19.842 5.605 -4.627 1.00 54.10 C ATOM 1830 CG GLN A 112 -19.569 4.421 -5.540 1.00 40.04 C ATOM 1831 CD GLN A 112 -19.014 3.224 -4.794 1.00 33.13 C ATOM 1832 OE1 GLN A 112 -19.764 2.431 -4.224 1.00 75.33 O ATOM 1833 NE2 GLN A 112 -17.693 3.087 -4.792 1.00 75.34 N ATOM 0 H GLN A 112 -22.408 3.937 -3.848 1.00 33.12 H new ATOM 0 HA GLN A 112 -21.397 6.534 -3.471 1.00 10.22 H new ATOM 0 HB2 GLN A 112 -19.589 6.525 -5.154 1.00 54.10 H new ATOM 0 HB3 GLN A 112 -19.185 5.543 -3.759 1.00 54.10 H new ATOM 0 HG2 GLN A 112 -20.493 4.134 -6.043 1.00 40.04 H new ATOM 0 HG3 GLN A 112 -18.864 4.720 -6.315 1.00 40.04 H new ATOM 0 HE21 GLN A 112 -17.109 3.768 -5.277 1.00 75.34 H new ATOM 0 HE22 GLN A 112 -17.263 2.301 -4.305 1.00 75.34 H new ATOM 1842 N SER A 113 -22.445 7.169 -5.685 1.00 63.25 N ATOM 1843 CA SER A 113 -23.316 7.513 -6.803 1.00 34.52 C ATOM 1844 C SER A 113 -22.760 8.702 -7.580 1.00 60.52 C ATOM 1845 O SER A 113 -21.783 9.324 -7.166 1.00 1.43 O ATOM 1846 CB SER A 113 -24.725 7.832 -6.298 1.00 41.55 C ATOM 1847 OG SER A 113 -25.302 6.711 -5.652 1.00 53.14 O ATOM 0 H SER A 113 -22.035 7.971 -5.207 1.00 63.25 H new ATOM 0 HA SER A 113 -23.363 6.655 -7.473 1.00 34.52 H new ATOM 0 HB2 SER A 113 -24.685 8.673 -5.606 1.00 41.55 H new ATOM 0 HB3 SER A 113 -25.354 8.137 -7.134 1.00 41.55 H new ATOM 0 HG SER A 113 -26.201 6.942 -5.337 1.00 53.14 H new ATOM 1853 N GLN A 114 -23.390 9.009 -8.709 1.00 40.33 N ATOM 1854 CA GLN A 114 -22.958 10.123 -9.546 1.00 23.15 C ATOM 1855 C GLN A 114 -24.132 10.707 -10.324 1.00 31.02 C ATOM 1856 O GLN A 114 -25.201 10.103 -10.399 1.00 54.43 O ATOM 1857 CB GLN A 114 -21.865 9.667 -10.514 1.00 30.20 C ATOM 1858 CG GLN A 114 -20.922 10.782 -10.936 1.00 22.12 C ATOM 1859 CD GLN A 114 -19.556 10.267 -11.346 1.00 54.15 C ATOM 1860 OE1 GLN A 114 -19.282 9.069 -11.266 1.00 43.52 O ATOM 1861 NE2 GLN A 114 -18.691 11.172 -11.790 1.00 73.41 N ATOM 0 H GLN A 114 -24.201 8.503 -9.065 1.00 40.33 H new ATOM 0 HA GLN A 114 -22.556 10.899 -8.895 1.00 23.15 H new ATOM 0 HB2 GLN A 114 -21.286 8.871 -10.046 1.00 30.20 H new ATOM 0 HB3 GLN A 114 -22.332 9.242 -11.402 1.00 30.20 H new ATOM 0 HG2 GLN A 114 -21.364 11.331 -11.768 1.00 22.12 H new ATOM 0 HG3 GLN A 114 -20.808 11.487 -10.113 1.00 22.12 H new ATOM 0 HE21 GLN A 114 -18.961 12.154 -11.839 1.00 73.41 H new ATOM 0 HE22 GLN A 114 -17.757 10.885 -12.082 1.00 73.41 H new ATOM 1870 N GLY A 115 -23.925 11.887 -10.901 1.00 60.44 N ATOM 1871 CA GLY A 115 -24.976 12.533 -11.666 1.00 24.10 C ATOM 1872 C GLY A 115 -24.450 13.211 -12.915 1.00 41.34 C ATOM 1873 O GLY A 115 -23.403 13.860 -12.885 1.00 54.31 O ATOM 0 H GLY A 115 -23.049 12.407 -10.852 1.00 60.44 H new ATOM 0 HA2 GLY A 115 -25.725 11.792 -11.946 1.00 24.10 H new ATOM 0 HA3 GLY A 115 -25.477 13.271 -11.039 1.00 24.10 H new ATOM 1877 N LEU A 116 -25.175 13.061 -14.018 1.00 73.20 N ATOM 1878 CA LEU A 116 -24.775 13.663 -15.285 1.00 73.12 C ATOM 1879 C LEU A 116 -25.714 14.803 -15.667 1.00 33.22 C ATOM 1880 O LEU A 116 -26.659 15.110 -14.941 1.00 74.22 O ATOM 1881 CB LEU A 116 -24.760 12.607 -16.392 1.00 14.11 C ATOM 1882 CG LEU A 116 -23.856 11.397 -16.153 1.00 51.32 C ATOM 1883 CD1 LEU A 116 -24.054 10.359 -17.247 1.00 2.12 C ATOM 1884 CD2 LEU A 116 -22.398 11.827 -16.081 1.00 12.24 C ATOM 0 H LEU A 116 -26.043 12.527 -14.061 1.00 73.20 H new ATOM 0 HA LEU A 116 -23.771 14.069 -15.165 1.00 73.12 H new ATOM 0 HB2 LEU A 116 -25.779 12.250 -16.540 1.00 14.11 H new ATOM 0 HB3 LEU A 116 -24.452 13.087 -17.321 1.00 14.11 H new ATOM 0 HG LEU A 116 -24.129 10.946 -15.199 1.00 51.32 H new ATOM 0 HD11 LEU A 116 -23.403 9.505 -17.061 1.00 2.12 H new ATOM 0 HD12 LEU A 116 -25.093 10.029 -17.252 1.00 2.12 H new ATOM 0 HD13 LEU A 116 -23.809 10.798 -18.214 1.00 2.12 H new ATOM 0 HD21 LEU A 116 -21.769 10.953 -15.910 1.00 12.24 H new ATOM 0 HD22 LEU A 116 -22.112 12.302 -17.019 1.00 12.24 H new ATOM 0 HD23 LEU A 116 -22.267 12.534 -15.262 1.00 12.24 H new ATOM 1896 N GLU A 117 -25.448 15.424 -16.811 1.00 44.52 N ATOM 1897 CA GLU A 117 -26.270 16.529 -17.289 1.00 53.52 C ATOM 1898 C GLU A 117 -27.583 16.017 -17.875 1.00 22.21 C ATOM 1899 O GLU A 117 -28.606 16.686 -17.739 1.00 2.12 O ATOM 1900 CB GLU A 117 -25.512 17.341 -18.342 1.00 1.04 C ATOM 1901 CG GLU A 117 -24.231 17.970 -17.819 1.00 31.41 C ATOM 1902 CD GLU A 117 -24.484 19.244 -17.037 1.00 45.12 C ATOM 1903 OE1 GLU A 117 -25.130 20.159 -17.589 1.00 1.52 O ATOM 1904 OE2 GLU A 117 -24.035 19.327 -15.875 1.00 21.42 O ATOM 0 H GLU A 117 -24.670 15.181 -17.424 1.00 44.52 H new ATOM 0 HA GLU A 117 -26.497 17.172 -16.439 1.00 53.52 H new ATOM 0 HB2 GLU A 117 -25.271 16.693 -19.184 1.00 1.04 H new ATOM 0 HB3 GLU A 117 -26.165 18.127 -18.721 1.00 1.04 H new ATOM 0 HG2 GLU A 117 -23.713 17.254 -17.181 1.00 31.41 H new ATOM 0 HG3 GLU A 117 -23.569 18.188 -18.657 1.00 31.41 H new TER 1911 GLU A 117 ATOM 1912 N GLY B -9 9.315 -9.835 16.310 1.00 1.24 N ATOM 1913 CA GLY B -9 10.249 -10.108 15.234 1.00 24.32 C ATOM 1914 C GLY B -9 10.737 -11.543 15.241 1.00 62.45 C ATOM 1915 O GLY B -9 10.615 -12.245 16.245 1.00 12.41 O ATOM 0 H1 GLY B -9 8.373 -9.643 15.912 1.00 1.24 H new ATOM 0 H2 GLY B -9 9.263 -10.659 16.942 1.00 1.24 H new ATOM 0 H3 GLY B -9 9.639 -9.006 16.849 1.00 1.24 H new ATOM 0 HA2 GLY B -9 9.770 -9.895 14.278 1.00 24.32 H new ATOM 0 HA3 GLY B -9 11.103 -9.436 15.319 1.00 24.32 H new ATOM 1919 N LYS B -8 11.291 -11.983 14.116 1.00 71.43 N ATOM 1920 CA LYS B -8 11.799 -13.345 13.994 1.00 51.32 C ATOM 1921 C LYS B -8 13.143 -13.361 13.273 1.00 71.34 C ATOM 1922 O LYS B -8 14.114 -13.938 13.762 1.00 62.31 O ATOM 1923 CB LYS B -8 10.794 -14.221 13.242 1.00 10.25 C ATOM 1924 CG LYS B -8 10.616 -15.601 13.851 1.00 10.00 C ATOM 1925 CD LYS B -8 9.454 -16.345 13.215 1.00 34.03 C ATOM 1926 CE LYS B -8 9.721 -17.841 13.144 1.00 2.42 C ATOM 1927 NZ LYS B -8 9.302 -18.539 14.391 1.00 50.11 N ATOM 0 H LYS B -8 11.400 -11.416 13.275 1.00 71.43 H new ATOM 0 HA LYS B -8 11.940 -13.745 14.998 1.00 51.32 H new ATOM 0 HB2 LYS B -8 9.829 -13.715 13.220 1.00 10.25 H new ATOM 0 HB3 LYS B -8 11.121 -14.329 12.208 1.00 10.25 H new ATOM 0 HG2 LYS B -8 11.532 -16.177 13.723 1.00 10.00 H new ATOM 0 HG3 LYS B -8 10.446 -15.507 14.924 1.00 10.00 H new ATOM 0 HD2 LYS B -8 8.546 -16.163 13.790 1.00 34.03 H new ATOM 0 HD3 LYS B -8 9.278 -15.958 12.211 1.00 34.03 H new ATOM 0 HE2 LYS B -8 9.187 -18.265 12.294 1.00 2.42 H new ATOM 0 HE3 LYS B -8 10.783 -18.012 12.971 1.00 2.42 H new ATOM 0 HZ1 LYS B -8 9.500 -19.556 14.303 1.00 50.11 H new ATOM 0 HZ2 LYS B -8 9.830 -18.152 15.199 1.00 50.11 H new ATOM 0 HZ3 LYS B -8 8.283 -18.397 14.543 1.00 50.11 H new ATOM 1941 N PHE B -7 13.192 -12.724 12.108 1.00 50.34 N ATOM 1942 CA PHE B -7 14.417 -12.665 11.319 1.00 4.03 C ATOM 1943 C PHE B -7 15.199 -11.391 11.624 1.00 45.31 C ATOM 1944 O PHE B -7 16.185 -11.416 12.362 1.00 61.23 O ATOM 1945 CB PHE B -7 14.092 -12.732 9.826 1.00 71.42 C ATOM 1946 CG PHE B -7 13.616 -14.084 9.376 1.00 20.24 C ATOM 1947 CD1 PHE B -7 12.319 -14.498 9.635 1.00 41.13 C ATOM 1948 CD2 PHE B -7 14.465 -14.941 8.695 1.00 23.12 C ATOM 1949 CE1 PHE B -7 11.879 -15.742 9.223 1.00 41.41 C ATOM 1950 CE2 PHE B -7 14.031 -16.186 8.281 1.00 72.05 C ATOM 1951 CZ PHE B -7 12.735 -16.586 8.544 1.00 65.21 C ATOM 0 H PHE B -7 12.397 -12.241 11.689 1.00 50.34 H new ATOM 0 HA PHE B -7 15.034 -13.523 11.588 1.00 4.03 H new ATOM 0 HB2 PHE B -7 13.327 -11.991 9.595 1.00 71.42 H new ATOM 0 HB3 PHE B -7 14.981 -12.460 9.256 1.00 71.42 H new ATOM 0 HD1 PHE B -7 11.645 -13.841 10.165 1.00 41.13 H new ATOM 0 HD2 PHE B -7 15.478 -14.632 8.485 1.00 23.12 H new ATOM 0 HE1 PHE B -7 10.866 -16.053 9.432 1.00 41.41 H new ATOM 0 HE2 PHE B -7 14.704 -16.845 7.753 1.00 72.05 H new ATOM 0 HZ PHE B -7 12.392 -17.557 8.219 1.00 65.21 H new ATOM 1961 N ILE B -6 14.753 -10.278 11.050 1.00 21.42 N ATOM 1962 CA ILE B -6 15.410 -8.994 11.260 1.00 22.43 C ATOM 1963 C ILE B -6 16.919 -9.112 11.072 1.00 11.42 C ATOM 1964 O ILE B -6 17.677 -9.287 12.027 1.00 52.35 O ATOM 1965 CB ILE B -6 15.121 -8.438 12.667 1.00 43.30 C ATOM 1966 CG1 ILE B -6 13.643 -8.067 12.799 1.00 74.41 C ATOM 1967 CG2 ILE B -6 16.003 -7.230 12.950 1.00 34.30 C ATOM 1968 CD1 ILE B -6 12.737 -9.261 13.004 1.00 33.31 C ATOM 0 H ILE B -6 13.939 -10.240 10.436 1.00 21.42 H new ATOM 0 HA ILE B -6 15.006 -8.307 10.517 1.00 22.43 H new ATOM 0 HB ILE B -6 15.349 -9.211 13.401 1.00 43.30 H new ATOM 0 HG12 ILE B -6 13.522 -7.381 13.638 1.00 74.41 H new ATOM 0 HG13 ILE B -6 13.329 -7.533 11.902 1.00 74.41 H new ATOM 0 HG21 ILE B -6 15.788 -6.848 13.948 1.00 34.30 H new ATOM 0 HG22 ILE B -6 17.051 -7.523 12.892 1.00 34.30 H new ATOM 0 HG23 ILE B -6 15.803 -6.453 12.213 1.00 34.30 H new ATOM 0 HD11 ILE B -6 11.704 -8.924 13.089 1.00 33.31 H new ATOM 0 HD12 ILE B -6 12.829 -9.937 12.154 1.00 33.31 H new ATOM 0 HD13 ILE B -6 13.025 -9.784 13.916 1.00 33.31 H new ATOM 1980 N PRO B -5 17.368 -9.011 9.812 1.00 34.11 N ATOM 1981 CA PRO B -5 18.790 -9.100 9.469 1.00 71.52 C ATOM 1982 C PRO B -5 19.580 -7.888 9.951 1.00 72.44 C ATOM 1983 O PRO B -5 19.785 -6.932 9.203 1.00 20.21 O ATOM 1984 CB PRO B -5 18.783 -9.160 7.939 1.00 35.43 C ATOM 1985 CG PRO B -5 17.514 -8.490 7.540 1.00 15.10 C ATOM 1986 CD PRO B -5 16.521 -8.802 8.626 1.00 71.04 C ATOM 0 HA PRO B -5 19.270 -9.957 9.941 1.00 71.52 H new ATOM 0 HB2 PRO B -5 19.649 -8.649 7.519 1.00 35.43 H new ATOM 0 HB3 PRO B -5 18.816 -10.190 7.583 1.00 35.43 H new ATOM 0 HG2 PRO B -5 17.656 -7.414 7.439 1.00 15.10 H new ATOM 0 HG3 PRO B -5 17.165 -8.858 6.575 1.00 15.10 H new ATOM 0 HD2 PRO B -5 15.817 -7.983 8.774 1.00 71.04 H new ATOM 0 HD3 PRO B -5 15.933 -9.689 8.390 1.00 71.04 H new ATOM 1994 N SER B -4 20.021 -7.935 11.204 1.00 60.24 N ATOM 1995 CA SER B -4 20.786 -6.839 11.786 1.00 10.11 C ATOM 1996 C SER B -4 22.210 -6.819 11.239 1.00 21.42 C ATOM 1997 O SER B -4 22.969 -5.882 11.487 1.00 61.31 O ATOM 1998 CB SER B -4 20.815 -6.963 13.311 1.00 53.43 C ATOM 1999 OG SER B -4 22.009 -6.417 13.844 1.00 31.42 O ATOM 0 H SER B -4 19.862 -8.720 11.835 1.00 60.24 H new ATOM 0 HA SER B -4 20.298 -5.903 11.513 1.00 10.11 H new ATOM 0 HB2 SER B -4 19.954 -6.448 13.737 1.00 53.43 H new ATOM 0 HB3 SER B -4 20.732 -8.012 13.595 1.00 53.43 H new ATOM 0 HG SER B -4 22.402 -5.795 13.197 1.00 31.42 H new ATOM 2005 N ARG B -3 22.565 -7.861 10.494 1.00 24.01 N ATOM 2006 CA ARG B -3 23.898 -7.965 9.913 1.00 62.34 C ATOM 2007 C ARG B -3 24.205 -6.754 9.036 1.00 23.53 C ATOM 2008 O ARG B -3 23.310 -6.035 8.593 1.00 71.21 O ATOM 2009 CB ARG B -3 24.019 -9.249 9.089 1.00 44.54 C ATOM 2010 CG ARG B -3 24.881 -10.315 9.745 1.00 15.03 C ATOM 2011 CD ARG B -3 24.241 -11.690 9.640 1.00 34.50 C ATOM 2012 NE ARG B -3 25.198 -12.709 9.218 1.00 44.23 N ATOM 2013 CZ ARG B -3 24.847 -13.921 8.804 1.00 24.42 C ATOM 2014 NH1 ARG B -3 23.568 -14.265 8.757 1.00 13.24 N ATOM 2015 NH2 ARG B -3 25.777 -14.793 8.436 1.00 65.20 N ATOM 0 H ARG B -3 21.948 -8.645 10.279 1.00 24.01 H new ATOM 0 HA ARG B -3 24.621 -7.994 10.728 1.00 62.34 H new ATOM 0 HB2 ARG B -3 23.022 -9.655 8.917 1.00 44.54 H new ATOM 0 HB3 ARG B -3 24.437 -9.006 8.112 1.00 44.54 H new ATOM 0 HG2 ARG B -3 25.863 -10.332 9.272 1.00 15.03 H new ATOM 0 HG3 ARG B -3 25.037 -10.064 10.794 1.00 15.03 H new ATOM 0 HD2 ARG B -3 23.818 -11.968 10.606 1.00 34.50 H new ATOM 0 HD3 ARG B -3 23.415 -11.652 8.930 1.00 34.50 H new ATOM 0 HE ARG B -3 26.191 -12.477 9.243 1.00 44.23 H new ATOM 0 HH11 ARG B -3 22.850 -13.598 9.039 1.00 13.24 H new ATOM 0 HH12 ARG B -3 23.302 -15.197 8.438 1.00 13.24 H new ATOM 0 HH21 ARG B -3 26.763 -14.533 8.471 1.00 65.20 H new ATOM 0 HH22 ARG B -3 25.506 -15.724 8.118 1.00 65.20 H new ATOM 2029 N PRO B -2 25.501 -6.522 8.781 1.00 64.35 N ATOM 2030 CA PRO B -2 25.957 -5.399 7.956 1.00 74.33 C ATOM 2031 C PRO B -2 25.597 -5.577 6.485 1.00 62.45 C ATOM 2032 O PRO B -2 25.429 -6.700 6.008 1.00 3.44 O ATOM 2033 CB PRO B -2 27.476 -5.416 8.141 1.00 60.33 C ATOM 2034 CG PRO B -2 27.799 -6.827 8.492 1.00 21.43 C ATOM 2035 CD PRO B -2 26.622 -7.339 9.276 1.00 2.44 C ATOM 0 HA PRO B -2 25.489 -4.460 8.251 1.00 74.33 H new ATOM 0 HB2 PRO B -2 27.989 -5.107 7.230 1.00 60.33 H new ATOM 0 HB3 PRO B -2 27.786 -4.731 8.930 1.00 60.33 H new ATOM 0 HG2 PRO B -2 27.960 -7.425 7.595 1.00 21.43 H new ATOM 0 HG3 PRO B -2 28.714 -6.883 9.081 1.00 21.43 H new ATOM 0 HD2 PRO B -2 26.453 -8.401 9.100 1.00 2.44 H new ATOM 0 HD3 PRO B -2 26.768 -7.213 10.349 1.00 2.44 H new ATOM 2043 N ALA B -1 25.481 -4.463 5.769 1.00 20.24 N ATOM 2044 CA ALA B -1 25.144 -4.497 4.352 1.00 70.13 C ATOM 2045 C ALA B -1 26.350 -4.136 3.492 1.00 44.41 C ATOM 2046 O ALA B -1 26.561 -2.977 3.131 1.00 24.44 O ATOM 2047 CB ALA B -1 23.985 -3.554 4.062 1.00 24.40 C ATOM 0 H ALA B -1 25.616 -3.526 6.148 1.00 20.24 H new ATOM 0 HA ALA B -1 24.842 -5.514 4.100 1.00 70.13 H new ATOM 0 HB1 ALA B -1 23.744 -3.590 3.000 1.00 24.40 H new ATOM 0 HB2 ALA B -1 23.114 -3.859 4.642 1.00 24.40 H new ATOM 0 HB3 ALA B -1 24.266 -2.537 4.336 1.00 24.40 H new ATOM 2053 N PRO B 0 27.163 -5.148 3.155 1.00 74.32 N ATOM 2054 CA PRO B 0 28.362 -4.961 2.333 1.00 22.22 C ATOM 2055 C PRO B 0 28.026 -4.620 0.886 1.00 51.14 C ATOM 2056 O PRO B 0 27.001 -5.050 0.357 1.00 34.52 O ATOM 2057 CB PRO B 0 29.062 -6.320 2.413 1.00 5.04 C ATOM 2058 CG PRO B 0 27.971 -7.292 2.702 1.00 61.25 C ATOM 2059 CD PRO B 0 26.972 -6.554 3.549 1.00 22.23 C ATOM 0 HA PRO B 0 28.972 -4.130 2.686 1.00 22.22 H new ATOM 0 HB2 PRO B 0 29.569 -6.560 1.478 1.00 5.04 H new ATOM 0 HB3 PRO B 0 29.819 -6.330 3.197 1.00 5.04 H new ATOM 0 HG2 PRO B 0 27.512 -7.649 1.780 1.00 61.25 H new ATOM 0 HG3 PRO B 0 28.356 -8.167 3.226 1.00 61.25 H new ATOM 0 HD2 PRO B 0 25.954 -6.891 3.355 1.00 22.23 H new ATOM 0 HD3 PRO B 0 27.159 -6.702 4.612 1.00 22.23 H new ATOM 2067 N LYS B 1 28.896 -3.844 0.248 1.00 12.22 N ATOM 2068 CA LYS B 1 28.693 -3.445 -1.140 1.00 31.44 C ATOM 2069 C LYS B 1 29.152 -4.544 -2.094 1.00 14.44 C ATOM 2070 O LYS B 1 29.937 -5.422 -1.736 1.00 14.12 O ATOM 2071 CB LYS B 1 29.450 -2.149 -1.436 1.00 2.15 C ATOM 2072 CG LYS B 1 28.693 -0.896 -1.031 1.00 31.13 C ATOM 2073 CD LYS B 1 29.055 -0.457 0.378 1.00 13.51 C ATOM 2074 CE LYS B 1 28.050 -0.971 1.398 1.00 52.53 C ATOM 2075 NZ LYS B 1 27.977 -0.090 2.597 1.00 74.44 N ATOM 0 H LYS B 1 29.749 -3.479 0.671 1.00 12.22 H new ATOM 0 HA LYS B 1 27.627 -3.278 -1.292 1.00 31.44 H new ATOM 0 HB2 LYS B 1 30.407 -2.170 -0.914 1.00 2.15 H new ATOM 0 HB3 LYS B 1 29.669 -2.102 -2.503 1.00 2.15 H new ATOM 0 HG2 LYS B 1 28.917 -0.092 -1.732 1.00 31.13 H new ATOM 0 HG3 LYS B 1 27.621 -1.082 -1.091 1.00 31.13 H new ATOM 0 HD2 LYS B 1 30.050 -0.823 0.630 1.00 13.51 H new ATOM 0 HD3 LYS B 1 29.095 0.631 0.422 1.00 13.51 H new ATOM 0 HE2 LYS B 1 27.065 -1.038 0.936 1.00 52.53 H new ATOM 0 HE3 LYS B 1 28.327 -1.980 1.705 1.00 52.53 H new ATOM 0 HZ1 LYS B 1 27.282 -0.474 3.268 1.00 74.44 H new ATOM 0 HZ2 LYS B 1 28.911 -0.046 3.053 1.00 74.44 H new ATOM 0 HZ3 LYS B 1 27.688 0.866 2.308 1.00 74.44 H new ATOM 2089 N PRO B 2 28.653 -4.494 -3.338 1.00 32.33 N ATOM 2090 CA PRO B 2 29.000 -5.477 -4.369 1.00 54.41 C ATOM 2091 C PRO B 2 30.444 -5.340 -4.838 1.00 2.33 C ATOM 2092 O PRO B 2 31.123 -4.353 -4.554 1.00 42.41 O ATOM 2093 CB PRO B 2 28.034 -5.149 -5.511 1.00 12.55 C ATOM 2094 CG PRO B 2 27.695 -3.710 -5.319 1.00 23.53 C ATOM 2095 CD PRO B 2 27.712 -3.476 -3.834 1.00 2.44 C ATOM 0 HA PRO B 2 28.916 -6.500 -4.001 1.00 54.41 H new ATOM 0 HB2 PRO B 2 28.497 -5.320 -6.483 1.00 12.55 H new ATOM 0 HB3 PRO B 2 27.143 -5.775 -5.468 1.00 12.55 H new ATOM 0 HG2 PRO B 2 28.417 -3.068 -5.824 1.00 23.53 H new ATOM 0 HG3 PRO B 2 26.716 -3.480 -5.739 1.00 23.53 H new ATOM 0 HD2 PRO B 2 28.046 -2.468 -3.590 1.00 2.44 H new ATOM 0 HD3 PRO B 2 26.721 -3.598 -3.397 1.00 2.44 H new ATOM 2103 N PRO B 3 30.927 -6.352 -5.573 1.00 23.32 N ATOM 2104 CA PRO B 3 32.296 -6.367 -6.097 1.00 61.21 C ATOM 2105 C PRO B 3 32.505 -5.337 -7.201 1.00 42.33 C ATOM 2106 O PRO B 3 33.571 -4.730 -7.304 1.00 24.14 O ATOM 2107 CB PRO B 3 32.447 -7.785 -6.653 1.00 64.24 C ATOM 2108 CG PRO B 3 31.058 -8.217 -6.973 1.00 51.14 C ATOM 2109 CD PRO B 3 30.174 -7.560 -5.949 1.00 61.41 C ATOM 0 HA PRO B 3 33.029 -6.115 -5.331 1.00 61.21 H new ATOM 0 HB2 PRO B 3 33.080 -7.797 -7.541 1.00 64.24 H new ATOM 0 HB3 PRO B 3 32.910 -8.449 -5.923 1.00 64.24 H new ATOM 0 HG2 PRO B 3 30.778 -7.915 -7.982 1.00 51.14 H new ATOM 0 HG3 PRO B 3 30.967 -9.302 -6.929 1.00 51.14 H new ATOM 0 HD2 PRO B 3 29.196 -7.312 -6.362 1.00 61.41 H new ATOM 0 HD3 PRO B 3 30.002 -8.210 -5.091 1.00 61.41 H new ATOM 2117 N SER B 4 31.481 -5.143 -8.026 1.00 35.24 N ATOM 2118 CA SER B 4 31.554 -4.188 -9.125 1.00 13.21 C ATOM 2119 C SER B 4 30.716 -2.949 -8.824 1.00 55.15 C ATOM 2120 O SER B 4 29.508 -3.041 -8.603 1.00 61.35 O ATOM 2121 CB SER B 4 31.077 -4.837 -10.425 1.00 74.14 C ATOM 2122 OG SER B 4 31.328 -3.996 -11.538 1.00 12.44 O ATOM 0 H SER B 4 30.590 -5.635 -7.954 1.00 35.24 H new ATOM 0 HA SER B 4 32.594 -3.883 -9.240 1.00 13.21 H new ATOM 0 HB2 SER B 4 31.584 -5.792 -10.565 1.00 74.14 H new ATOM 0 HB3 SER B 4 30.010 -5.049 -10.359 1.00 74.14 H new ATOM 0 HG SER B 4 31.015 -4.435 -12.357 1.00 12.44 H new ATOM 2128 N SER B 5 31.366 -1.790 -8.818 1.00 53.42 N ATOM 2129 CA SER B 5 30.682 -0.531 -8.541 1.00 65.43 C ATOM 2130 C SER B 5 30.853 0.446 -9.700 1.00 71.14 C ATOM 2131 O SER B 5 31.872 1.128 -9.807 1.00 15.24 O ATOM 2132 CB SER B 5 31.219 0.091 -7.251 1.00 40.50 C ATOM 2133 OG SER B 5 31.026 -0.776 -6.147 1.00 52.02 O ATOM 0 H SER B 5 32.365 -1.696 -9.002 1.00 53.42 H new ATOM 0 HA SER B 5 29.619 -0.741 -8.420 1.00 65.43 H new ATOM 0 HB2 SER B 5 32.281 0.310 -7.364 1.00 40.50 H new ATOM 0 HB3 SER B 5 30.716 1.040 -7.064 1.00 40.50 H new ATOM 0 HG SER B 5 31.379 -0.356 -5.335 1.00 52.02 H new ATOM 2139 N ALA B 6 29.847 0.507 -10.567 1.00 43.02 N ATOM 2140 CA ALA B 6 29.884 1.401 -11.718 1.00 12.44 C ATOM 2141 C ALA B 6 29.581 2.838 -11.306 1.00 11.12 C ATOM 2142 O ALA B 6 28.860 3.077 -10.336 1.00 52.23 O ATOM 2143 CB ALA B 6 28.899 0.936 -12.779 1.00 74.24 C ATOM 0 H ALA B 6 28.997 -0.052 -10.494 1.00 43.02 H new ATOM 0 HA ALA B 6 30.890 1.374 -12.136 1.00 12.44 H new ATOM 0 HB1 ALA B 6 28.937 1.613 -13.633 1.00 74.24 H new ATOM 0 HB2 ALA B 6 29.161 -0.071 -13.102 1.00 74.24 H new ATOM 0 HB3 ALA B 6 27.891 0.933 -12.364 1.00 74.24 H new TER 2149 ALA B 6