USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 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 106 THR OG1 : rot -27:sc= 0.553 USER MOD Set 1.2: A 111 HIS : no HE2:sc= -2.6! C(o=-2!,f=-2.8!) USER MOD Set 2.1: A 85 GLN : amide:sc= 1.09 K(o=2.1,f=0.13) USER MOD Set 2.2: A 108 SER OG : rot -120:sc= 1.03 USER MOD Set 3.1: A 13 HIS : no HE2:sc= -3.52! C(o=-2.2!,f=-6.2!) USER MOD Set 3.2: A 69 SER OG : rot 175:sc= 1.34 USER MOD Set 4.1: A 11 CYS SG : rot 118:sc= -1.38 USER MOD Set 4.2: A 92 SER OG : rot -107:sc= 0.972 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0.327 (180deg=0.159) USER MOD Single : A 18 HIS : no HE2:sc= -0.514 K(o=-0.51,f=-4.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 21 SER OG : rot 53:sc= 1.16 USER MOD Single : A 25 SER OG : rot -74:sc= 0.828 USER MOD Single : A 26 SER OG : rot -150:sc= 0.162 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.51 F(o=-3,f=-0.51) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 46 TYR OH : rot -78:sc= 0.943 USER MOD Single : A 48 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.36) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : A 52 SER OG : rot 90:sc= 1.27 USER MOD Single : A 59 SER OG : rot 54:sc= 0.695 USER MOD Single : A 62 SER OG : rot 55:sc= 1.23 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.000834 F(o=-1.3!,f=-0.00083) USER MOD Single : A 65 SER OG : rot 16:sc= 1.44 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.141 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.222 USER MOD Single : A 83 GLN : amide:sc=-0.00991 X(o=-0.0099,f=-0.053) USER MOD Single : A 84 MET CE :methyl 156:sc= -0.0854 (180deg=-1.03) USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.497) USER MOD Single : A 97 THR OG1 : rot -46:sc= 1.27 USER MOD Single : A 100 MET CE :methyl -145:sc= -2.29 (180deg=-3.13!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.514 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0447 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.906 -28.401 -0.732 1.00 50.32 N ATOM 2 CA GLY A 1 -18.782 -28.393 0.735 1.00 34.43 C ATOM 3 C GLY A 1 -18.805 -26.993 1.295 1.00 75.44 C ATOM 4 O GLY A 1 -19.647 -26.177 0.914 1.00 30.42 O ATOM 0 H1 GLY A 1 -18.886 -29.382 -1.077 1.00 50.32 H new ATOM 0 H2 GLY A 1 -19.805 -27.956 -1.007 1.00 50.32 H new ATOM 0 H3 GLY A 1 -18.115 -27.871 -1.150 1.00 50.32 H new ATOM 0 HA2 GLY A 1 -19.596 -28.972 1.171 1.00 34.43 H new ATOM 0 HA3 GLY A 1 -17.852 -28.884 1.023 1.00 34.43 H new ATOM 10 N SER A 2 -17.883 -26.706 2.186 1.00 60.01 N ATOM 11 CA SER A 2 -17.802 -25.401 2.798 1.00 4.11 C ATOM 12 C SER A 2 -16.702 -24.578 2.145 1.00 62.14 C ATOM 13 O SER A 2 -15.613 -25.091 1.866 1.00 55.12 O ATOM 14 CB SER A 2 -17.528 -25.544 4.293 1.00 33.54 C ATOM 15 OG SER A 2 -18.444 -26.448 4.889 1.00 52.31 O ATOM 0 H SER A 2 -17.173 -27.366 2.504 1.00 60.01 H new ATOM 0 HA SER A 2 -18.753 -24.888 2.656 1.00 4.11 H new ATOM 0 HB2 SER A 2 -16.509 -25.897 4.448 1.00 33.54 H new ATOM 0 HB3 SER A 2 -17.605 -24.570 4.776 1.00 33.54 H new ATOM 0 HG SER A 2 -18.250 -26.527 5.846 1.00 52.31 H new ATOM 21 N HIS A 3 -16.988 -23.313 1.886 1.00 24.25 N ATOM 22 CA HIS A 3 -16.001 -22.414 1.315 1.00 54.24 C ATOM 23 C HIS A 3 -14.929 -22.134 2.345 1.00 63.50 C ATOM 24 O HIS A 3 -15.214 -22.080 3.544 1.00 43.42 O ATOM 25 CB HIS A 3 -16.646 -21.103 0.854 1.00 22.25 C ATOM 26 CG HIS A 3 -17.599 -21.262 -0.290 1.00 70.11 C ATOM 27 ND1 HIS A 3 -18.950 -21.033 -0.181 1.00 22.11 N ATOM 28 CD2 HIS A 3 -17.387 -21.623 -1.576 1.00 21.02 C ATOM 29 CE1 HIS A 3 -19.528 -21.246 -1.346 1.00 74.24 C ATOM 30 NE2 HIS A 3 -18.601 -21.605 -2.210 1.00 32.52 N ATOM 0 H HIS A 3 -17.897 -22.886 2.063 1.00 24.25 H new ATOM 0 HA HIS A 3 -15.558 -22.891 0.441 1.00 54.24 H new ATOM 0 HB2 HIS A 3 -17.176 -20.655 1.695 1.00 22.25 H new ATOM 0 HB3 HIS A 3 -15.860 -20.406 0.564 1.00 22.25 H new ATOM 0 HD2 HIS A 3 -16.436 -21.878 -2.021 1.00 21.02 H new ATOM 0 HE1 HIS A 3 -20.582 -21.144 -1.556 1.00 74.24 H new ATOM 0 HE2 HIS A 3 -18.761 -21.833 -3.191 1.00 32.52 H new ATOM 39 N MET A 4 -13.706 -21.973 1.898 1.00 11.32 N ATOM 40 CA MET A 4 -12.605 -21.755 2.809 1.00 24.24 C ATOM 41 C MET A 4 -11.894 -20.453 2.515 1.00 21.20 C ATOM 42 O MET A 4 -11.436 -20.222 1.394 1.00 22.13 O ATOM 43 CB MET A 4 -11.615 -22.920 2.735 1.00 73.22 C ATOM 44 CG MET A 4 -12.226 -24.266 3.080 1.00 22.45 C ATOM 45 SD MET A 4 -11.060 -25.627 2.910 1.00 71.14 S ATOM 46 CE MET A 4 -12.121 -27.019 3.292 1.00 62.03 C ATOM 0 H MET A 4 -13.447 -21.989 0.911 1.00 11.32 H new ATOM 0 HA MET A 4 -13.015 -21.696 3.817 1.00 24.24 H new ATOM 0 HB2 MET A 4 -11.199 -22.968 1.729 1.00 73.22 H new ATOM 0 HB3 MET A 4 -10.785 -22.723 3.414 1.00 73.22 H new ATOM 0 HG2 MET A 4 -12.599 -24.239 4.104 1.00 22.45 H new ATOM 0 HG3 MET A 4 -13.085 -24.446 2.433 1.00 22.45 H new ATOM 0 HE1 MET A 4 -11.546 -27.943 3.230 1.00 62.03 H new ATOM 0 HE2 MET A 4 -12.520 -26.907 4.300 1.00 62.03 H new ATOM 0 HE3 MET A 4 -12.944 -27.056 2.578 1.00 62.03 H new ATOM 56 N GLU A 5 -11.829 -19.597 3.517 1.00 4.54 N ATOM 57 CA GLU A 5 -11.101 -18.352 3.410 1.00 1.54 C ATOM 58 C GLU A 5 -9.604 -18.659 3.378 1.00 1.22 C ATOM 59 O GLU A 5 -9.097 -19.365 4.251 1.00 63.52 O ATOM 60 CB GLU A 5 -11.443 -17.440 4.597 1.00 50.12 C ATOM 61 CG GLU A 5 -10.649 -16.145 4.645 1.00 61.45 C ATOM 62 CD GLU A 5 -11.014 -15.288 5.835 1.00 45.53 C ATOM 63 OE1 GLU A 5 -10.746 -15.708 6.983 1.00 4.12 O ATOM 64 OE2 GLU A 5 -11.578 -14.194 5.635 1.00 15.41 O ATOM 0 H GLU A 5 -12.277 -19.746 4.421 1.00 4.54 H new ATOM 0 HA GLU A 5 -11.382 -17.833 2.494 1.00 1.54 H new ATOM 0 HB2 GLU A 5 -12.505 -17.199 4.560 1.00 50.12 H new ATOM 0 HB3 GLU A 5 -11.273 -17.990 5.523 1.00 50.12 H new ATOM 0 HG2 GLU A 5 -9.584 -16.376 4.680 1.00 61.45 H new ATOM 0 HG3 GLU A 5 -10.823 -15.582 3.728 1.00 61.45 H new ATOM 71 N PRO A 6 -8.887 -18.155 2.367 1.00 20.11 N ATOM 72 CA PRO A 6 -7.460 -18.427 2.202 1.00 41.30 C ATOM 73 C PRO A 6 -6.618 -17.875 3.348 1.00 73.31 C ATOM 74 O PRO A 6 -6.938 -16.835 3.933 1.00 44.40 O ATOM 75 CB PRO A 6 -7.102 -17.722 0.887 1.00 41.45 C ATOM 76 CG PRO A 6 -8.164 -16.697 0.701 1.00 50.22 C ATOM 77 CD PRO A 6 -9.407 -17.272 1.312 1.00 40.32 C ATOM 0 HA PRO A 6 -7.257 -19.498 2.194 1.00 41.30 H new ATOM 0 HB2 PRO A 6 -6.115 -17.263 0.941 1.00 41.45 H new ATOM 0 HB3 PRO A 6 -7.081 -18.425 0.054 1.00 41.45 H new ATOM 0 HG2 PRO A 6 -7.890 -15.759 1.184 1.00 50.22 H new ATOM 0 HG3 PRO A 6 -8.314 -16.479 -0.356 1.00 50.22 H new ATOM 0 HD2 PRO A 6 -10.052 -16.494 1.720 1.00 40.32 H new ATOM 0 HD3 PRO A 6 -9.997 -17.824 0.580 1.00 40.32 H new ATOM 85 N ALA A 7 -5.558 -18.585 3.677 1.00 2.21 N ATOM 86 CA ALA A 7 -4.641 -18.152 4.709 1.00 61.21 C ATOM 87 C ALA A 7 -3.554 -17.298 4.089 1.00 22.45 C ATOM 88 O ALA A 7 -2.958 -16.442 4.746 1.00 41.43 O ATOM 89 CB ALA A 7 -4.043 -19.351 5.417 1.00 20.34 C ATOM 0 H ALA A 7 -5.310 -19.472 3.239 1.00 2.21 H new ATOM 0 HA ALA A 7 -5.180 -17.558 5.447 1.00 61.21 H new ATOM 0 HB1 ALA A 7 -3.355 -19.011 6.191 1.00 20.34 H new ATOM 0 HB2 ALA A 7 -4.840 -19.939 5.873 1.00 20.34 H new ATOM 0 HB3 ALA A 7 -3.504 -19.967 4.697 1.00 20.34 H new ATOM 95 N ARG A 8 -3.305 -17.545 2.814 1.00 14.25 N ATOM 96 CA ARG A 8 -2.341 -16.789 2.050 1.00 33.23 C ATOM 97 C ARG A 8 -3.053 -15.936 1.016 1.00 65.53 C ATOM 98 O ARG A 8 -3.418 -16.417 -0.066 1.00 31.44 O ATOM 99 CB ARG A 8 -1.334 -17.713 1.363 1.00 24.41 C ATOM 100 CG ARG A 8 -0.400 -18.429 2.317 1.00 34.11 C ATOM 101 CD ARG A 8 0.581 -19.311 1.566 1.00 42.52 C ATOM 102 NE ARG A 8 1.575 -19.916 2.457 1.00 51.11 N ATOM 103 CZ ARG A 8 2.078 -21.146 2.296 1.00 33.20 C ATOM 104 NH1 ARG A 8 1.633 -21.928 1.314 1.00 34.44 N ATOM 105 NH2 ARG A 8 3.013 -21.597 3.123 1.00 70.52 N ATOM 0 H ARG A 8 -3.771 -18.280 2.282 1.00 14.25 H new ATOM 0 HA ARG A 8 -1.794 -16.143 2.737 1.00 33.23 H new ATOM 0 HB2 ARG A 8 -1.878 -18.455 0.779 1.00 24.41 H new ATOM 0 HB3 ARG A 8 -0.740 -17.128 0.661 1.00 24.41 H new ATOM 0 HG2 ARG A 8 0.147 -17.698 2.912 1.00 34.11 H new ATOM 0 HG3 ARG A 8 -0.981 -19.036 3.012 1.00 34.11 H new ATOM 0 HD2 ARG A 8 0.035 -20.098 1.046 1.00 42.52 H new ATOM 0 HD3 ARG A 8 1.090 -18.720 0.805 1.00 42.52 H new ATOM 0 HE ARG A 8 1.904 -19.365 3.250 1.00 51.11 H new ATOM 0 HH11 ARG A 8 0.907 -21.590 0.682 1.00 34.44 H new ATOM 0 HH12 ARG A 8 2.018 -22.865 1.194 1.00 34.44 H new ATOM 0 HH21 ARG A 8 3.350 -21.006 3.883 1.00 70.52 H new ATOM 0 HH22 ARG A 8 3.395 -22.535 2.998 1.00 70.52 H new ATOM 119 N VAL A 9 -3.274 -14.690 1.354 1.00 32.32 N ATOM 120 CA VAL A 9 -3.948 -13.769 0.464 1.00 0.44 C ATOM 121 C VAL A 9 -2.936 -12.958 -0.323 1.00 23.04 C ATOM 122 O VAL A 9 -1.855 -12.643 0.182 1.00 30.02 O ATOM 123 CB VAL A 9 -4.899 -12.818 1.235 1.00 34.31 C ATOM 124 CG1 VAL A 9 -6.038 -13.602 1.864 1.00 71.13 C ATOM 125 CG2 VAL A 9 -4.141 -12.034 2.302 1.00 44.43 C ATOM 0 H VAL A 9 -2.995 -14.284 2.247 1.00 32.32 H new ATOM 0 HA VAL A 9 -4.550 -14.362 -0.224 1.00 0.44 H new ATOM 0 HB VAL A 9 -5.316 -12.106 0.523 1.00 34.31 H new ATOM 0 HG11 VAL A 9 -6.696 -12.919 2.401 1.00 71.13 H new ATOM 0 HG12 VAL A 9 -6.603 -14.112 1.084 1.00 71.13 H new ATOM 0 HG13 VAL A 9 -5.633 -14.338 2.559 1.00 71.13 H new ATOM 0 HG21 VAL A 9 -4.831 -11.374 2.828 1.00 44.43 H new ATOM 0 HG22 VAL A 9 -3.690 -12.728 3.012 1.00 44.43 H new ATOM 0 HG23 VAL A 9 -3.359 -11.439 1.830 1.00 44.43 H new ATOM 135 N ARG A 10 -3.265 -12.644 -1.561 1.00 5.30 N ATOM 136 CA ARG A 10 -2.381 -11.862 -2.390 1.00 41.31 C ATOM 137 C ARG A 10 -2.832 -10.422 -2.417 1.00 63.34 C ATOM 138 O ARG A 10 -3.863 -10.086 -3.019 1.00 33.31 O ATOM 139 CB ARG A 10 -2.317 -12.414 -3.810 1.00 12.22 C ATOM 140 CG ARG A 10 -1.386 -11.628 -4.714 1.00 23.24 C ATOM 141 CD ARG A 10 -1.312 -12.221 -6.105 1.00 51.03 C ATOM 142 NE ARG A 10 -0.458 -11.421 -6.979 1.00 0.54 N ATOM 143 CZ ARG A 10 -0.308 -11.625 -8.286 1.00 24.22 C ATOM 144 NH1 ARG A 10 -0.943 -12.620 -8.888 1.00 13.24 N ATOM 145 NH2 ARG A 10 0.479 -10.827 -8.994 1.00 52.44 N ATOM 0 H ARG A 10 -4.138 -12.920 -2.011 1.00 5.30 H new ATOM 0 HA ARG A 10 -1.381 -11.919 -1.960 1.00 41.31 H new ATOM 0 HB2 ARG A 10 -1.988 -13.453 -3.775 1.00 12.22 H new ATOM 0 HB3 ARG A 10 -3.319 -12.411 -4.240 1.00 12.22 H new ATOM 0 HG2 ARG A 10 -1.729 -10.595 -4.778 1.00 23.24 H new ATOM 0 HG3 ARG A 10 -0.388 -11.606 -4.276 1.00 23.24 H new ATOM 0 HD2 ARG A 10 -0.926 -13.239 -6.049 1.00 51.03 H new ATOM 0 HD3 ARG A 10 -2.314 -12.283 -6.530 1.00 51.03 H new ATOM 0 HE ARG A 10 0.061 -10.651 -6.558 1.00 0.54 H new ATOM 0 HH11 ARG A 10 -1.552 -13.236 -8.350 1.00 13.24 H new ATOM 0 HH12 ARG A 10 -0.823 -12.770 -9.890 1.00 13.24 H new ATOM 0 HH21 ARG A 10 0.969 -10.058 -8.537 1.00 52.44 H new ATOM 0 HH22 ARG A 10 0.595 -10.982 -9.995 1.00 52.44 H new ATOM 159 N CYS A 11 -2.075 -9.578 -1.768 1.00 43.51 N ATOM 160 CA CYS A 11 -2.398 -8.181 -1.706 1.00 15.31 C ATOM 161 C CYS A 11 -1.321 -7.349 -2.368 1.00 25.23 C ATOM 162 O CYS A 11 -0.131 -7.516 -2.095 1.00 62.41 O ATOM 163 CB CYS A 11 -2.565 -7.737 -0.254 1.00 44.03 C ATOM 164 SG CYS A 11 -3.754 -8.707 0.697 1.00 71.44 S ATOM 0 H CYS A 11 -1.223 -9.839 -1.271 1.00 43.51 H new ATOM 0 HA CYS A 11 -3.337 -8.030 -2.239 1.00 15.31 H new ATOM 0 HB2 CYS A 11 -1.595 -7.788 0.241 1.00 44.03 H new ATOM 0 HB3 CYS A 11 -2.875 -6.692 -0.241 1.00 44.03 H new ATOM 0 HG CYS A 11 -3.145 -9.291 1.686 1.00 71.44 H new ATOM 170 N SER A 12 -1.731 -6.477 -3.245 1.00 43.25 N ATOM 171 CA SER A 12 -0.832 -5.544 -3.849 1.00 61.20 C ATOM 172 C SER A 12 -0.883 -4.269 -3.021 1.00 30.24 C ATOM 173 O SER A 12 -1.962 -3.838 -2.605 1.00 74.13 O ATOM 174 CB SER A 12 -1.230 -5.293 -5.303 1.00 73.44 C ATOM 175 OG SER A 12 -1.267 -6.520 -6.031 1.00 71.35 O ATOM 0 H SER A 12 -2.698 -6.395 -3.559 1.00 43.25 H new ATOM 0 HA SER A 12 0.187 -5.930 -3.866 1.00 61.20 H new ATOM 0 HB2 SER A 12 -2.207 -4.812 -5.341 1.00 73.44 H new ATOM 0 HB3 SER A 12 -0.520 -4.609 -5.768 1.00 73.44 H new ATOM 0 HG SER A 12 -1.525 -6.342 -6.959 1.00 71.35 H new ATOM 181 N HIS A 13 0.263 -3.681 -2.760 1.00 41.12 N ATOM 182 CA HIS A 13 0.326 -2.549 -1.857 1.00 52.13 C ATOM 183 C HIS A 13 1.031 -1.347 -2.465 1.00 42.41 C ATOM 184 O HIS A 13 2.156 -1.445 -2.944 1.00 31.12 O ATOM 185 CB HIS A 13 1.007 -2.954 -0.518 1.00 41.54 C ATOM 186 CG HIS A 13 2.469 -3.352 -0.628 1.00 34.22 C ATOM 187 ND1 HIS A 13 3.383 -3.168 0.390 1.00 22.32 N ATOM 188 CD2 HIS A 13 3.165 -3.921 -1.641 1.00 12.14 C ATOM 189 CE1 HIS A 13 4.568 -3.600 -0.003 1.00 51.34 C ATOM 190 NE2 HIS A 13 4.455 -4.062 -1.228 1.00 62.55 N ATOM 0 H HIS A 13 1.159 -3.964 -3.156 1.00 41.12 H new ATOM 0 HA HIS A 13 -0.703 -2.248 -1.662 1.00 52.13 H new ATOM 0 HB2 HIS A 13 0.926 -2.120 0.179 1.00 41.54 H new ATOM 0 HB3 HIS A 13 0.452 -3.786 -0.085 1.00 41.54 H new ATOM 0 HD1 HIS A 13 3.176 -2.762 1.303 1.00 22.32 H new ATOM 0 HD2 HIS A 13 2.768 -4.211 -2.603 1.00 12.14 H new ATOM 0 HE1 HIS A 13 5.475 -3.577 0.583 1.00 51.34 H new ATOM 199 N LEU A 14 0.360 -0.224 -2.439 1.00 74.24 N ATOM 200 CA LEU A 14 0.954 1.023 -2.862 1.00 74.22 C ATOM 201 C LEU A 14 1.297 1.792 -1.602 1.00 50.05 C ATOM 202 O LEU A 14 0.427 2.037 -0.766 1.00 44.54 O ATOM 203 CB LEU A 14 -0.026 1.814 -3.753 1.00 53.54 C ATOM 204 CG LEU A 14 0.579 2.945 -4.610 1.00 12.43 C ATOM 205 CD1 LEU A 14 -0.392 3.355 -5.704 1.00 44.43 C ATOM 206 CD2 LEU A 14 0.939 4.155 -3.756 1.00 33.41 C ATOM 0 H LEU A 14 -0.608 -0.146 -2.126 1.00 74.24 H new ATOM 0 HA LEU A 14 1.850 0.852 -3.459 1.00 74.22 H new ATOM 0 HB2 LEU A 14 -0.524 1.110 -4.420 1.00 53.54 H new ATOM 0 HB3 LEU A 14 -0.796 2.246 -3.113 1.00 53.54 H new ATOM 0 HG LEU A 14 1.494 2.565 -5.065 1.00 12.43 H new ATOM 0 HD11 LEU A 14 0.048 4.154 -6.301 1.00 44.43 H new ATOM 0 HD12 LEU A 14 -0.602 2.498 -6.344 1.00 44.43 H new ATOM 0 HD13 LEU A 14 -1.320 3.708 -5.254 1.00 44.43 H new ATOM 0 HD21 LEU A 14 1.363 4.934 -4.389 1.00 33.41 H new ATOM 0 HD22 LEU A 14 0.042 4.534 -3.265 1.00 33.41 H new ATOM 0 HD23 LEU A 14 1.670 3.863 -3.002 1.00 33.41 H new ATOM 218 N LEU A 15 2.555 2.128 -1.439 1.00 72.55 N ATOM 219 CA LEU A 15 2.999 2.777 -0.223 1.00 30.51 C ATOM 220 C LEU A 15 3.613 4.138 -0.474 1.00 12.32 C ATOM 221 O LEU A 15 4.575 4.272 -1.232 1.00 60.01 O ATOM 222 CB LEU A 15 4.004 1.885 0.513 1.00 55.10 C ATOM 223 CG LEU A 15 4.760 2.543 1.676 1.00 34.13 C ATOM 224 CD1 LEU A 15 3.805 2.982 2.773 1.00 30.14 C ATOM 225 CD2 LEU A 15 5.808 1.599 2.228 1.00 22.22 C ATOM 0 H LEU A 15 3.288 1.965 -2.129 1.00 72.55 H new ATOM 0 HA LEU A 15 2.113 2.931 0.393 1.00 30.51 H new ATOM 0 HB2 LEU A 15 3.474 1.014 0.897 1.00 55.10 H new ATOM 0 HB3 LEU A 15 4.734 1.521 -0.210 1.00 55.10 H new ATOM 0 HG LEU A 15 5.260 3.432 1.293 1.00 34.13 H new ATOM 0 HD11 LEU A 15 4.369 3.444 3.583 1.00 30.14 H new ATOM 0 HD12 LEU A 15 3.093 3.702 2.369 1.00 30.14 H new ATOM 0 HD13 LEU A 15 3.266 2.115 3.155 1.00 30.14 H new ATOM 0 HD21 LEU A 15 6.334 2.081 3.052 1.00 22.22 H new ATOM 0 HD22 LEU A 15 5.326 0.690 2.588 1.00 22.22 H new ATOM 0 HD23 LEU A 15 6.519 1.345 1.442 1.00 22.22 H new ATOM 237 N VAL A 16 3.049 5.133 0.172 1.00 35.12 N ATOM 238 CA VAL A 16 3.593 6.469 0.160 1.00 52.01 C ATOM 239 C VAL A 16 3.978 6.840 1.583 1.00 51.34 C ATOM 240 O VAL A 16 3.116 6.960 2.470 1.00 75.13 O ATOM 241 CB VAL A 16 2.594 7.511 -0.408 1.00 3.02 C ATOM 242 CG1 VAL A 16 3.141 8.925 -0.255 1.00 33.34 C ATOM 243 CG2 VAL A 16 2.299 7.219 -1.872 1.00 21.40 C ATOM 0 H VAL A 16 2.196 5.036 0.723 1.00 35.12 H new ATOM 0 HA VAL A 16 4.464 6.481 -0.496 1.00 52.01 H new ATOM 0 HB VAL A 16 1.667 7.437 0.160 1.00 3.02 H new ATOM 0 HG11 VAL A 16 2.423 9.639 -0.660 1.00 33.34 H new ATOM 0 HG12 VAL A 16 3.308 9.138 0.801 1.00 33.34 H new ATOM 0 HG13 VAL A 16 4.083 9.011 -0.796 1.00 33.34 H new ATOM 0 HG21 VAL A 16 1.597 7.959 -2.256 1.00 21.40 H new ATOM 0 HG22 VAL A 16 3.225 7.265 -2.446 1.00 21.40 H new ATOM 0 HG23 VAL A 16 1.864 6.224 -1.964 1.00 21.40 H new ATOM 253 N LYS A 17 5.263 6.974 1.817 1.00 0.23 N ATOM 254 CA LYS A 17 5.755 7.284 3.138 1.00 24.40 C ATOM 255 C LYS A 17 5.679 8.777 3.416 1.00 1.13 C ATOM 256 O LYS A 17 5.462 9.588 2.509 1.00 72.41 O ATOM 257 CB LYS A 17 7.189 6.777 3.326 1.00 33.22 C ATOM 258 CG LYS A 17 7.321 5.260 3.323 1.00 52.21 C ATOM 259 CD LYS A 17 8.773 4.829 3.494 1.00 24.11 C ATOM 260 CE LYS A 17 8.918 3.310 3.491 1.00 20.45 C ATOM 261 NZ LYS A 17 8.234 2.674 4.645 1.00 21.43 N ATOM 0 H LYS A 17 5.988 6.873 1.107 1.00 0.23 H new ATOM 0 HA LYS A 17 5.114 6.771 3.855 1.00 24.40 H new ATOM 0 HB2 LYS A 17 7.814 7.186 2.532 1.00 33.22 H new ATOM 0 HB3 LYS A 17 7.578 7.162 4.269 1.00 33.22 H new ATOM 0 HG2 LYS A 17 6.718 4.839 4.127 1.00 52.21 H new ATOM 0 HG3 LYS A 17 6.929 4.861 2.388 1.00 52.21 H new ATOM 0 HD2 LYS A 17 9.375 5.253 2.690 1.00 24.11 H new ATOM 0 HD3 LYS A 17 9.163 5.229 4.430 1.00 24.11 H new ATOM 0 HE2 LYS A 17 8.508 2.910 2.564 1.00 20.45 H new ATOM 0 HE3 LYS A 17 9.976 3.049 3.510 1.00 20.45 H new ATOM 0 HZ1 LYS A 17 8.199 1.644 4.503 1.00 21.43 H new ATOM 0 HZ2 LYS A 17 8.757 2.886 5.518 1.00 21.43 H new ATOM 0 HZ3 LYS A 17 7.266 3.046 4.723 1.00 21.43 H new ATOM 275 N HIS A 18 5.853 9.127 4.668 1.00 45.14 N ATOM 276 CA HIS A 18 5.804 10.505 5.103 1.00 73.13 C ATOM 277 C HIS A 18 6.880 10.758 6.134 1.00 24.32 C ATOM 278 O HIS A 18 7.462 9.811 6.662 1.00 4.15 O ATOM 279 CB HIS A 18 4.404 10.882 5.650 1.00 65.32 C ATOM 280 CG HIS A 18 3.674 9.773 6.365 1.00 55.32 C ATOM 281 ND1 HIS A 18 3.934 9.398 7.664 1.00 62.42 N ATOM 282 CD2 HIS A 18 2.674 8.961 5.942 1.00 3.05 C ATOM 283 CE1 HIS A 18 3.130 8.411 8.006 1.00 74.24 C ATOM 284 NE2 HIS A 18 2.356 8.128 6.982 1.00 22.52 N ATOM 0 H HIS A 18 6.034 8.461 5.419 1.00 45.14 H new ATOM 0 HA HIS A 18 5.990 11.143 4.239 1.00 73.13 H new ATOM 0 HB2 HIS A 18 4.513 11.723 6.334 1.00 65.32 H new ATOM 0 HB3 HIS A 18 3.787 11.225 4.819 1.00 65.32 H new ATOM 0 HD1 HIS A 18 4.640 9.819 8.268 1.00 62.42 H new ATOM 0 HD2 HIS A 18 2.213 8.969 4.965 1.00 3.05 H new ATOM 0 HE1 HIS A 18 3.110 7.918 8.967 1.00 74.24 H new ATOM 293 N SER A 19 7.138 12.027 6.413 1.00 13.10 N ATOM 294 CA SER A 19 8.177 12.431 7.352 1.00 74.23 C ATOM 295 C SER A 19 7.991 11.769 8.714 1.00 65.14 C ATOM 296 O SER A 19 8.944 11.242 9.292 1.00 33.15 O ATOM 297 CB SER A 19 8.183 13.951 7.487 1.00 13.13 C ATOM 298 OG SER A 19 6.877 14.443 7.772 1.00 31.31 O ATOM 0 H SER A 19 6.633 12.808 5.995 1.00 13.10 H new ATOM 0 HA SER A 19 9.140 12.101 6.962 1.00 74.23 H new ATOM 0 HB2 SER A 19 8.868 14.246 8.282 1.00 13.13 H new ATOM 0 HB3 SER A 19 8.552 14.400 6.565 1.00 13.13 H new ATOM 0 HG SER A 19 6.906 15.419 7.856 1.00 31.31 H new ATOM 304 N GLN A 20 6.767 11.804 9.220 1.00 11.11 N ATOM 305 CA GLN A 20 6.448 11.166 10.487 1.00 11.52 C ATOM 306 C GLN A 20 6.411 9.654 10.304 1.00 43.12 C ATOM 307 O GLN A 20 5.375 9.094 9.962 1.00 70.30 O ATOM 308 CB GLN A 20 5.094 11.659 11.012 1.00 52.20 C ATOM 309 CG GLN A 20 4.982 13.171 11.126 1.00 34.33 C ATOM 310 CD GLN A 20 6.015 13.766 12.058 1.00 24.13 C ATOM 311 OE1 GLN A 20 7.112 14.134 11.636 1.00 54.43 O ATOM 312 NE2 GLN A 20 5.680 13.855 13.323 1.00 14.13 N ATOM 0 H GLN A 20 5.978 12.269 8.771 1.00 11.11 H new ATOM 0 HA GLN A 20 7.218 11.426 11.214 1.00 11.52 H new ATOM 0 HB2 GLN A 20 4.307 11.297 10.351 1.00 52.20 H new ATOM 0 HB3 GLN A 20 4.915 11.218 11.992 1.00 52.20 H new ATOM 0 HG2 GLN A 20 5.093 13.615 10.137 1.00 34.33 H new ATOM 0 HG3 GLN A 20 3.985 13.431 11.482 1.00 34.33 H new ATOM 0 HE21 GLN A 20 4.760 13.538 13.631 1.00 14.13 H new ATOM 0 HE22 GLN A 20 6.339 14.241 13.999 1.00 14.13 H new ATOM 321 N SER A 21 7.545 9.013 10.491 1.00 1.14 N ATOM 322 CA SER A 21 7.656 7.581 10.315 1.00 23.13 C ATOM 323 C SER A 21 8.966 7.090 10.917 1.00 24.24 C ATOM 324 O SER A 21 9.857 7.891 11.216 1.00 2.34 O ATOM 325 CB SER A 21 7.588 7.227 8.815 1.00 22.44 C ATOM 326 OG SER A 21 7.557 5.819 8.606 1.00 34.24 O ATOM 0 H SER A 21 8.414 9.469 10.769 1.00 1.14 H new ATOM 0 HA SER A 21 6.827 7.090 10.825 1.00 23.13 H new ATOM 0 HB2 SER A 21 6.700 7.680 8.374 1.00 22.44 H new ATOM 0 HB3 SER A 21 8.450 7.652 8.302 1.00 22.44 H new ATOM 0 HG SER A 21 6.831 5.426 9.133 1.00 34.24 H new ATOM 332 N ARG A 22 9.078 5.777 11.093 1.00 32.00 N ATOM 333 CA ARG A 22 10.275 5.174 11.665 1.00 44.42 C ATOM 334 C ARG A 22 11.512 5.496 10.823 1.00 53.34 C ATOM 335 O ARG A 22 12.614 5.640 11.351 1.00 70.32 O ATOM 336 CB ARG A 22 10.098 3.653 11.817 1.00 62.40 C ATOM 337 CG ARG A 22 9.887 2.901 10.507 1.00 13.34 C ATOM 338 CD ARG A 22 9.750 1.402 10.742 1.00 3.35 C ATOM 339 NE ARG A 22 10.947 0.827 11.371 1.00 34.50 N ATOM 340 CZ ARG A 22 11.071 -0.457 11.734 1.00 64.54 C ATOM 341 NH1 ARG A 22 10.070 -1.313 11.533 1.00 33.33 N ATOM 342 NH2 ARG A 22 12.197 -0.881 12.300 1.00 32.32 N ATOM 0 H ARG A 22 8.349 5.108 10.846 1.00 32.00 H new ATOM 0 HA ARG A 22 10.426 5.602 12.656 1.00 44.42 H new ATOM 0 HB2 ARG A 22 10.978 3.247 12.315 1.00 62.40 H new ATOM 0 HB3 ARG A 22 9.246 3.464 12.470 1.00 62.40 H new ATOM 0 HG2 ARG A 22 8.992 3.276 10.010 1.00 13.34 H new ATOM 0 HG3 ARG A 22 10.726 3.091 9.838 1.00 13.34 H new ATOM 0 HD2 ARG A 22 8.883 1.213 11.375 1.00 3.35 H new ATOM 0 HD3 ARG A 22 9.566 0.902 9.791 1.00 3.35 H new ATOM 0 HE ARG A 22 11.738 1.448 11.543 1.00 34.50 H new ATOM 0 HH11 ARG A 22 9.204 -0.992 11.101 1.00 33.33 H new ATOM 0 HH12 ARG A 22 10.170 -2.289 11.811 1.00 33.33 H new ATOM 0 HH21 ARG A 22 12.965 -0.229 12.458 1.00 32.32 H new ATOM 0 HH22 ARG A 22 12.292 -1.858 12.577 1.00 32.32 H new ATOM 356 N ARG A 23 11.317 5.622 9.517 1.00 64.12 N ATOM 357 CA ARG A 23 12.400 5.955 8.612 1.00 45.23 C ATOM 358 C ARG A 23 11.850 6.488 7.291 1.00 20.04 C ATOM 359 O ARG A 23 11.323 5.728 6.476 1.00 22.43 O ATOM 360 CB ARG A 23 13.300 4.741 8.367 1.00 30.24 C ATOM 361 CG ARG A 23 14.550 5.068 7.577 1.00 43.54 C ATOM 362 CD ARG A 23 15.530 3.913 7.572 1.00 33.21 C ATOM 363 NE ARG A 23 16.790 4.271 6.916 1.00 44.52 N ATOM 364 CZ ARG A 23 17.683 3.385 6.468 1.00 63.31 C ATOM 365 NH1 ARG A 23 17.458 2.085 6.604 1.00 11.02 N ATOM 366 NH2 ARG A 23 18.801 3.802 5.889 1.00 11.12 N ATOM 0 H ARG A 23 10.412 5.497 9.062 1.00 64.12 H new ATOM 0 HA ARG A 23 13.002 6.736 9.077 1.00 45.23 H new ATOM 0 HB2 ARG A 23 13.588 4.312 9.327 1.00 30.24 H new ATOM 0 HB3 ARG A 23 12.732 3.978 7.834 1.00 30.24 H new ATOM 0 HG2 ARG A 23 14.277 5.318 6.552 1.00 43.54 H new ATOM 0 HG3 ARG A 23 15.029 5.950 8.003 1.00 43.54 H new ATOM 0 HD2 ARG A 23 15.730 3.601 8.597 1.00 33.21 H new ATOM 0 HD3 ARG A 23 15.084 3.060 7.061 1.00 33.21 H new ATOM 0 HE ARG A 23 16.999 5.262 6.793 1.00 44.52 H new ATOM 0 HH11 ARG A 23 16.601 1.760 7.052 1.00 11.02 H new ATOM 0 HH12 ARG A 23 18.142 1.410 6.261 1.00 11.02 H new ATOM 0 HH21 ARG A 23 18.980 4.801 5.785 1.00 11.12 H new ATOM 0 HH22 ARG A 23 19.482 3.124 5.547 1.00 11.12 H new ATOM 380 N PRO A 24 11.946 7.805 7.073 1.00 32.43 N ATOM 381 CA PRO A 24 11.466 8.450 5.858 1.00 70.51 C ATOM 382 C PRO A 24 12.539 8.487 4.760 1.00 75.21 C ATOM 383 O PRO A 24 12.800 9.533 4.163 1.00 61.15 O ATOM 384 CB PRO A 24 11.150 9.862 6.345 1.00 11.54 C ATOM 385 CG PRO A 24 12.160 10.127 7.416 1.00 24.33 C ATOM 386 CD PRO A 24 12.526 8.784 8.013 1.00 3.51 C ATOM 0 HA PRO A 24 10.621 7.929 5.407 1.00 70.51 H new ATOM 0 HB2 PRO A 24 11.231 10.588 5.536 1.00 11.54 H new ATOM 0 HB3 PRO A 24 10.134 9.929 6.733 1.00 11.54 H new ATOM 0 HG2 PRO A 24 13.040 10.620 7.004 1.00 24.33 H new ATOM 0 HG3 PRO A 24 11.751 10.790 8.178 1.00 24.33 H new ATOM 0 HD2 PRO A 24 13.606 8.665 8.096 1.00 3.51 H new ATOM 0 HD3 PRO A 24 12.114 8.667 9.015 1.00 3.51 H new ATOM 394 N SER A 25 13.140 7.344 4.491 1.00 53.32 N ATOM 395 CA SER A 25 14.175 7.247 3.476 1.00 20.11 C ATOM 396 C SER A 25 13.946 6.023 2.591 1.00 22.15 C ATOM 397 O SER A 25 13.619 4.940 3.089 1.00 12.41 O ATOM 398 CB SER A 25 15.551 7.178 4.140 1.00 62.03 C ATOM 399 OG SER A 25 15.760 8.305 4.982 1.00 44.53 O ATOM 0 H SER A 25 12.929 6.465 4.963 1.00 53.32 H new ATOM 0 HA SER A 25 14.132 8.135 2.845 1.00 20.11 H new ATOM 0 HB2 SER A 25 15.633 6.261 4.724 1.00 62.03 H new ATOM 0 HB3 SER A 25 16.327 7.140 3.376 1.00 62.03 H new ATOM 0 HG SER A 25 15.935 9.097 4.431 1.00 44.53 H new ATOM 405 N SER A 26 14.106 6.203 1.285 1.00 0.11 N ATOM 406 CA SER A 26 13.906 5.127 0.329 1.00 21.03 C ATOM 407 C SER A 26 14.602 5.473 -0.996 1.00 30.12 C ATOM 408 O SER A 26 15.364 6.442 -1.068 1.00 10.02 O ATOM 409 CB SER A 26 12.398 4.904 0.104 1.00 14.34 C ATOM 410 OG SER A 26 12.151 3.724 -0.660 1.00 2.23 O ATOM 0 H SER A 26 14.376 7.092 0.864 1.00 0.11 H new ATOM 0 HA SER A 26 14.340 4.208 0.722 1.00 21.03 H new ATOM 0 HB2 SER A 26 11.893 4.827 1.067 1.00 14.34 H new ATOM 0 HB3 SER A 26 11.974 5.767 -0.410 1.00 14.34 H new ATOM 0 HG SER A 26 11.328 3.837 -1.180 1.00 2.23 H new ATOM 415 N TRP A 27 14.339 4.687 -2.038 1.00 12.43 N ATOM 416 CA TRP A 27 14.933 4.932 -3.351 1.00 35.14 C ATOM 417 C TRP A 27 14.248 6.118 -4.019 1.00 5.54 C ATOM 418 O TRP A 27 14.818 6.779 -4.884 1.00 64.25 O ATOM 419 CB TRP A 27 14.840 3.681 -4.248 1.00 53.21 C ATOM 420 CG TRP A 27 13.435 3.288 -4.628 1.00 34.31 C ATOM 421 CD1 TRP A 27 12.587 2.488 -3.921 1.00 2.34 C ATOM 422 CD2 TRP A 27 12.725 3.673 -5.817 1.00 64.14 C ATOM 423 NE1 TRP A 27 11.395 2.355 -4.592 1.00 63.32 N ATOM 424 CE2 TRP A 27 11.455 3.074 -5.756 1.00 12.42 C ATOM 425 CE3 TRP A 27 13.041 4.470 -6.923 1.00 12.04 C ATOM 426 CZ2 TRP A 27 10.501 3.244 -6.757 1.00 34.31 C ATOM 427 CZ3 TRP A 27 12.094 4.638 -7.915 1.00 12.12 C ATOM 428 CH2 TRP A 27 10.837 4.028 -7.826 1.00 73.22 C ATOM 0 H TRP A 27 13.720 3.877 -1.999 1.00 12.43 H new ATOM 0 HA TRP A 27 15.989 5.163 -3.211 1.00 35.14 H new ATOM 0 HB2 TRP A 27 15.413 3.858 -5.158 1.00 53.21 H new ATOM 0 HB3 TRP A 27 15.311 2.844 -3.733 1.00 53.21 H new ATOM 0 HD1 TRP A 27 12.818 2.026 -2.972 1.00 2.34 H new ATOM 0 HE1 TRP A 27 10.594 1.809 -4.274 1.00 63.32 H new ATOM 0 HE3 TRP A 27 14.008 4.945 -7.000 1.00 12.04 H new ATOM 0 HZ2 TRP A 27 9.531 2.774 -6.691 1.00 34.31 H new ATOM 0 HZ3 TRP A 27 12.327 5.250 -8.774 1.00 12.12 H new ATOM 0 HH2 TRP A 27 10.118 4.180 -8.618 1.00 73.22 H new ATOM 439 N ARG A 28 13.016 6.372 -3.605 1.00 25.53 N ATOM 440 CA ARG A 28 12.240 7.488 -4.115 1.00 62.32 C ATOM 441 C ARG A 28 12.864 8.806 -3.686 1.00 71.40 C ATOM 442 O ARG A 28 13.182 9.653 -4.518 1.00 15.40 O ATOM 443 CB ARG A 28 10.806 7.396 -3.603 1.00 43.13 C ATOM 444 CG ARG A 28 9.985 6.299 -4.258 1.00 2.35 C ATOM 445 CD ARG A 28 9.307 6.801 -5.516 1.00 42.14 C ATOM 446 NE ARG A 28 8.291 7.806 -5.200 1.00 3.30 N ATOM 447 CZ ARG A 28 7.932 8.803 -6.004 1.00 1.22 C ATOM 448 NH1 ARG A 28 8.479 8.923 -7.209 1.00 24.11 N ATOM 449 NH2 ARG A 28 7.011 9.671 -5.603 1.00 44.34 N ATOM 0 H ARG A 28 12.528 5.810 -2.907 1.00 25.53 H new ATOM 0 HA ARG A 28 12.234 7.445 -5.204 1.00 62.32 H new ATOM 0 HB2 ARG A 28 10.826 7.227 -2.526 1.00 43.13 H new ATOM 0 HB3 ARG A 28 10.311 8.353 -3.767 1.00 43.13 H new ATOM 0 HG2 ARG A 28 10.630 5.454 -4.501 1.00 2.35 H new ATOM 0 HG3 ARG A 28 9.234 5.935 -3.557 1.00 2.35 H new ATOM 0 HD2 ARG A 28 10.051 7.230 -6.188 1.00 42.14 H new ATOM 0 HD3 ARG A 28 8.846 5.966 -6.043 1.00 42.14 H new ATOM 0 HE ARG A 28 7.824 7.737 -4.296 1.00 3.30 H new ATOM 0 HH11 ARG A 28 9.178 8.249 -7.521 1.00 24.11 H new ATOM 0 HH12 ARG A 28 8.200 9.689 -7.822 1.00 24.11 H new ATOM 0 HH21 ARG A 28 6.583 9.571 -4.683 1.00 44.34 H new ATOM 0 HH22 ARG A 28 6.732 10.438 -6.215 1.00 44.34 H new ATOM 463 N GLN A 29 13.048 8.965 -2.385 1.00 11.13 N ATOM 464 CA GLN A 29 13.643 10.171 -1.831 1.00 71.31 C ATOM 465 C GLN A 29 14.570 9.818 -0.680 1.00 62.41 C ATOM 466 O GLN A 29 14.294 8.881 0.081 1.00 72.24 O ATOM 467 CB GLN A 29 12.559 11.142 -1.344 1.00 42.00 C ATOM 468 CG GLN A 29 11.642 11.655 -2.444 1.00 24.22 C ATOM 469 CD GLN A 29 10.659 12.703 -1.958 1.00 71.14 C ATOM 470 OE1 GLN A 29 10.266 12.617 -0.704 1.00 15.21 O flip ATOM 471 NE2 GLN A 29 10.254 13.583 -2.714 1.00 23.03 N flip ATOM 0 H GLN A 29 12.791 8.267 -1.687 1.00 11.13 H new ATOM 0 HA GLN A 29 14.217 10.658 -2.619 1.00 71.31 H new ATOM 0 HB2 GLN A 29 11.955 10.644 -0.586 1.00 42.00 H new ATOM 0 HB3 GLN A 29 13.039 11.993 -0.861 1.00 42.00 H new ATOM 0 HG2 GLN A 29 12.247 12.077 -3.246 1.00 24.22 H new ATOM 0 HG3 GLN A 29 11.090 10.817 -2.869 1.00 24.22 H new ATOM 0 HE21 GLN A 29 10.582 13.617 -3.679 1.00 23.03 H new ATOM 0 HE22 GLN A 29 9.590 14.280 -2.376 1.00 23.03 H new ATOM 480 N GLU A 30 15.667 10.555 -0.558 1.00 53.52 N ATOM 481 CA GLU A 30 16.620 10.336 0.520 1.00 63.21 C ATOM 482 C GLU A 30 16.003 10.788 1.832 1.00 41.41 C ATOM 483 O GLU A 30 16.185 10.156 2.881 1.00 24.21 O ATOM 484 CB GLU A 30 17.921 11.098 0.249 1.00 60.32 C ATOM 485 CG GLU A 30 19.009 10.853 1.283 1.00 54.32 C ATOM 486 CD GLU A 30 20.265 11.641 0.998 1.00 0.43 C ATOM 487 OE1 GLU A 30 21.127 11.143 0.242 1.00 15.23 O ATOM 488 OE2 GLU A 30 20.398 12.767 1.523 1.00 54.13 O ATOM 0 H GLU A 30 15.918 11.311 -1.195 1.00 53.52 H new ATOM 0 HA GLU A 30 16.858 9.274 0.580 1.00 63.21 H new ATOM 0 HB2 GLU A 30 18.298 10.815 -0.734 1.00 60.32 H new ATOM 0 HB3 GLU A 30 17.704 12.165 0.211 1.00 60.32 H new ATOM 0 HG2 GLU A 30 18.633 11.119 2.271 1.00 54.32 H new ATOM 0 HG3 GLU A 30 19.249 9.790 1.309 1.00 54.32 H new ATOM 495 N LYS A 31 15.269 11.882 1.763 1.00 13.55 N ATOM 496 CA LYS A 31 14.558 12.399 2.902 1.00 75.24 C ATOM 497 C LYS A 31 13.127 12.749 2.502 1.00 22.33 C ATOM 498 O LYS A 31 12.879 13.723 1.794 1.00 73.11 O ATOM 499 CB LYS A 31 15.282 13.616 3.511 1.00 51.23 C ATOM 500 CG LYS A 31 15.531 14.764 2.541 1.00 1.23 C ATOM 501 CD LYS A 31 16.173 15.944 3.245 1.00 32.54 C ATOM 502 CE LYS A 31 16.317 17.139 2.320 1.00 22.31 C ATOM 503 NZ LYS A 31 16.931 18.297 3.013 1.00 1.04 N ATOM 0 H LYS A 31 15.153 12.433 0.913 1.00 13.55 H new ATOM 0 HA LYS A 31 14.527 11.628 3.672 1.00 75.24 H new ATOM 0 HB2 LYS A 31 14.693 13.989 4.349 1.00 51.23 H new ATOM 0 HB3 LYS A 31 16.239 13.287 3.915 1.00 51.23 H new ATOM 0 HG2 LYS A 31 16.176 14.426 1.730 1.00 1.23 H new ATOM 0 HG3 LYS A 31 14.588 15.074 2.090 1.00 1.23 H new ATOM 0 HD2 LYS A 31 15.571 16.223 4.110 1.00 32.54 H new ATOM 0 HD3 LYS A 31 17.154 15.654 3.620 1.00 32.54 H new ATOM 0 HE2 LYS A 31 16.928 16.863 1.461 1.00 22.31 H new ATOM 0 HE3 LYS A 31 15.337 17.422 1.936 1.00 22.31 H new ATOM 0 HZ1 LYS A 31 17.013 19.094 2.350 1.00 1.04 H new ATOM 0 HZ2 LYS A 31 16.334 18.576 3.818 1.00 1.04 H new ATOM 0 HZ3 LYS A 31 17.876 18.034 3.358 1.00 1.04 H new ATOM 517 N ILE A 32 12.196 11.925 2.921 1.00 1.35 N ATOM 518 CA ILE A 32 10.805 12.140 2.604 1.00 61.55 C ATOM 519 C ILE A 32 10.212 13.197 3.521 1.00 51.34 C ATOM 520 O ILE A 32 9.800 12.908 4.644 1.00 22.43 O ATOM 521 CB ILE A 32 9.995 10.827 2.695 1.00 63.33 C ATOM 522 CG1 ILE A 32 10.597 9.783 1.746 1.00 54.11 C ATOM 523 CG2 ILE A 32 8.530 11.076 2.359 1.00 3.13 C ATOM 524 CD1 ILE A 32 9.949 8.423 1.836 1.00 41.12 C ATOM 0 H ILE A 32 12.379 11.095 3.485 1.00 1.35 H new ATOM 0 HA ILE A 32 10.747 12.494 1.575 1.00 61.55 H new ATOM 0 HB ILE A 32 10.046 10.449 3.716 1.00 63.33 H new ATOM 0 HG12 ILE A 32 10.513 10.147 0.722 1.00 54.11 H new ATOM 0 HG13 ILE A 32 11.661 9.682 1.962 1.00 54.11 H new ATOM 0 HG21 ILE A 32 7.976 10.140 2.429 1.00 3.13 H new ATOM 0 HG22 ILE A 32 8.113 11.797 3.062 1.00 3.13 H new ATOM 0 HG23 ILE A 32 8.451 11.470 1.346 1.00 3.13 H new ATOM 0 HD11 ILE A 32 10.432 7.743 1.134 1.00 41.12 H new ATOM 0 HD12 ILE A 32 10.056 8.035 2.849 1.00 41.12 H new ATOM 0 HD13 ILE A 32 8.890 8.507 1.590 1.00 41.12 H new ATOM 536 N THR A 33 10.189 14.423 3.038 1.00 11.42 N ATOM 537 CA THR A 33 9.696 15.544 3.804 1.00 60.22 C ATOM 538 C THR A 33 8.204 15.783 3.565 1.00 74.14 C ATOM 539 O THR A 33 7.701 16.888 3.764 1.00 41.14 O ATOM 540 CB THR A 33 10.496 16.820 3.471 1.00 54.35 C ATOM 541 OG1 THR A 33 10.601 16.976 2.044 1.00 34.21 O ATOM 542 CG2 THR A 33 11.891 16.749 4.076 1.00 4.31 C ATOM 0 H THR A 33 10.512 14.668 2.102 1.00 11.42 H new ATOM 0 HA THR A 33 9.831 15.302 4.858 1.00 60.22 H new ATOM 0 HB THR A 33 9.970 17.676 3.894 1.00 54.35 H new ATOM 0 HG1 THR A 33 11.109 17.789 1.840 1.00 34.21 H new ATOM 0 HG21 THR A 33 12.441 17.658 3.831 1.00 4.31 H new ATOM 0 HG22 THR A 33 11.813 16.653 5.159 1.00 4.31 H new ATOM 0 HG23 THR A 33 12.419 15.885 3.672 1.00 4.31 H new ATOM 550 N ARG A 34 7.499 14.741 3.144 1.00 3.01 N ATOM 551 CA ARG A 34 6.062 14.838 2.928 1.00 1.44 C ATOM 552 C ARG A 34 5.349 14.726 4.256 1.00 34.44 C ATOM 553 O ARG A 34 5.572 13.770 4.998 1.00 55.43 O ATOM 554 CB ARG A 34 5.550 13.711 2.026 1.00 4.20 C ATOM 555 CG ARG A 34 6.300 13.527 0.727 1.00 62.33 C ATOM 556 CD ARG A 34 5.702 12.381 -0.066 1.00 63.11 C ATOM 557 NE ARG A 34 6.628 11.855 -1.064 1.00 23.51 N ATOM 558 CZ ARG A 34 7.041 10.583 -1.094 1.00 34.14 C ATOM 559 NH1 ARG A 34 6.601 9.714 -0.191 1.00 34.43 N ATOM 560 NH2 ARG A 34 7.890 10.178 -2.027 1.00 44.44 N ATOM 0 H ARG A 34 7.897 13.823 2.946 1.00 3.01 H new ATOM 0 HA ARG A 34 5.864 15.797 2.449 1.00 1.44 H new ATOM 0 HB2 ARG A 34 5.590 12.776 2.584 1.00 4.20 H new ATOM 0 HB3 ARG A 34 4.501 13.901 1.796 1.00 4.20 H new ATOM 0 HG2 ARG A 34 6.258 14.445 0.141 1.00 62.33 H new ATOM 0 HG3 ARG A 34 7.352 13.327 0.931 1.00 62.33 H new ATOM 0 HD2 ARG A 34 5.414 11.581 0.616 1.00 63.11 H new ATOM 0 HD3 ARG A 34 4.792 12.721 -0.561 1.00 63.11 H new ATOM 0 HE ARG A 34 6.980 12.493 -1.778 1.00 23.51 H new ATOM 0 HH11 ARG A 34 5.945 10.015 0.530 1.00 34.43 H new ATOM 0 HH12 ARG A 34 6.919 8.745 -0.218 1.00 34.43 H new ATOM 0 HH21 ARG A 34 8.232 10.837 -2.726 1.00 44.44 H new ATOM 0 HH22 ARG A 34 8.202 9.207 -2.046 1.00 44.44 H new ATOM 574 N THR A 35 4.511 15.683 4.569 1.00 24.41 N ATOM 575 CA THR A 35 3.740 15.609 5.786 1.00 31.40 C ATOM 576 C THR A 35 2.589 14.609 5.601 1.00 64.13 C ATOM 577 O THR A 35 2.371 14.101 4.489 1.00 45.12 O ATOM 578 CB THR A 35 3.193 17.000 6.212 1.00 43.10 C ATOM 579 OG1 THR A 35 2.531 16.903 7.480 1.00 51.13 O ATOM 580 CG2 THR A 35 2.224 17.549 5.177 1.00 31.14 C ATOM 0 H THR A 35 4.346 16.516 4.004 1.00 24.41 H new ATOM 0 HA THR A 35 4.397 15.267 6.586 1.00 31.40 H new ATOM 0 HB THR A 35 4.040 17.682 6.292 1.00 43.10 H new ATOM 0 HG1 THR A 35 2.192 17.785 7.740 1.00 51.13 H new ATOM 0 HG21 THR A 35 1.858 18.523 5.502 1.00 31.14 H new ATOM 0 HG22 THR A 35 2.735 17.654 4.220 1.00 31.14 H new ATOM 0 HG23 THR A 35 1.384 16.864 5.066 1.00 31.14 H new ATOM 588 N LYS A 36 1.866 14.326 6.674 1.00 64.34 N ATOM 589 CA LYS A 36 0.760 13.376 6.628 1.00 23.41 C ATOM 590 C LYS A 36 -0.277 13.812 5.602 1.00 30.12 C ATOM 591 O LYS A 36 -0.782 12.999 4.833 1.00 72.15 O ATOM 592 CB LYS A 36 0.101 13.254 8.004 1.00 34.11 C ATOM 593 CG LYS A 36 -1.073 12.287 8.034 1.00 21.01 C ATOM 594 CD LYS A 36 -1.841 12.380 9.339 1.00 25.21 C ATOM 595 CE LYS A 36 -3.045 11.457 9.330 1.00 12.21 C ATOM 596 NZ LYS A 36 -3.889 11.632 10.533 1.00 41.23 N ATOM 0 H LYS A 36 2.025 14.742 7.592 1.00 64.34 H new ATOM 0 HA LYS A 36 1.160 12.405 6.337 1.00 23.41 H new ATOM 0 HB2 LYS A 36 0.848 12.928 8.728 1.00 34.11 H new ATOM 0 HB3 LYS A 36 -0.242 14.239 8.322 1.00 34.11 H new ATOM 0 HG2 LYS A 36 -1.743 12.501 7.201 1.00 21.01 H new ATOM 0 HG3 LYS A 36 -0.710 11.269 7.897 1.00 21.01 H new ATOM 0 HD2 LYS A 36 -1.185 12.120 10.170 1.00 25.21 H new ATOM 0 HD3 LYS A 36 -2.167 13.407 9.500 1.00 25.21 H new ATOM 0 HE2 LYS A 36 -3.642 11.649 8.438 1.00 12.21 H new ATOM 0 HE3 LYS A 36 -2.708 10.422 9.272 1.00 12.21 H new ATOM 0 HZ1 LYS A 36 -4.700 10.982 10.486 1.00 41.23 H new ATOM 0 HZ2 LYS A 36 -3.328 11.424 11.384 1.00 41.23 H new ATOM 0 HZ3 LYS A 36 -4.233 12.612 10.576 1.00 41.23 H new ATOM 610 N GLU A 37 -0.562 15.102 5.590 1.00 24.43 N ATOM 611 CA GLU A 37 -1.554 15.678 4.695 1.00 42.25 C ATOM 612 C GLU A 37 -1.184 15.435 3.231 1.00 30.40 C ATOM 613 O GLU A 37 -2.001 14.956 2.446 1.00 75.12 O ATOM 614 CB GLU A 37 -1.678 17.176 4.960 1.00 44.10 C ATOM 615 CG GLU A 37 -1.793 17.531 6.436 1.00 22.53 C ATOM 616 CD GLU A 37 -2.932 16.815 7.123 1.00 53.34 C ATOM 617 OE1 GLU A 37 -4.099 17.176 6.874 1.00 41.33 O ATOM 618 OE2 GLU A 37 -2.665 15.893 7.918 1.00 64.02 O ATOM 0 H GLU A 37 -0.112 15.783 6.202 1.00 24.43 H new ATOM 0 HA GLU A 37 -2.511 15.193 4.886 1.00 42.25 H new ATOM 0 HB2 GLU A 37 -0.809 17.683 4.541 1.00 44.10 H new ATOM 0 HB3 GLU A 37 -2.554 17.557 4.435 1.00 44.10 H new ATOM 0 HG2 GLU A 37 -0.858 17.283 6.939 1.00 22.53 H new ATOM 0 HG3 GLU A 37 -1.933 18.607 6.536 1.00 22.53 H new ATOM 625 N GLU A 38 0.059 15.754 2.880 1.00 53.44 N ATOM 626 CA GLU A 38 0.551 15.576 1.517 1.00 3.11 C ATOM 627 C GLU A 38 0.481 14.120 1.095 1.00 1.23 C ATOM 628 O GLU A 38 0.013 13.803 0.004 1.00 40.44 O ATOM 629 CB GLU A 38 1.987 16.081 1.395 1.00 32.51 C ATOM 630 CG GLU A 38 2.120 17.585 1.518 1.00 54.23 C ATOM 631 CD GLU A 38 1.375 18.317 0.429 1.00 61.30 C ATOM 632 OE1 GLU A 38 1.863 18.333 -0.722 1.00 11.02 O ATOM 633 OE2 GLU A 38 0.304 18.894 0.717 1.00 64.53 O ATOM 0 H GLU A 38 0.748 16.140 3.526 1.00 53.44 H new ATOM 0 HA GLU A 38 -0.090 16.159 0.855 1.00 3.11 H new ATOM 0 HB2 GLU A 38 2.595 15.608 2.166 1.00 32.51 H new ATOM 0 HB3 GLU A 38 2.392 15.768 0.433 1.00 32.51 H new ATOM 0 HG2 GLU A 38 1.742 17.903 2.490 1.00 54.23 H new ATOM 0 HG3 GLU A 38 3.174 17.858 1.481 1.00 54.23 H new ATOM 640 N ALA A 39 0.943 13.238 1.967 1.00 44.42 N ATOM 641 CA ALA A 39 0.936 11.814 1.684 1.00 64.24 C ATOM 642 C ALA A 39 -0.489 11.304 1.510 1.00 61.14 C ATOM 643 O ALA A 39 -0.773 10.532 0.600 1.00 44.15 O ATOM 644 CB ALA A 39 1.647 11.050 2.792 1.00 23.42 C ATOM 0 H ALA A 39 1.328 13.485 2.879 1.00 44.42 H new ATOM 0 HA ALA A 39 1.472 11.647 0.749 1.00 64.24 H new ATOM 0 HB1 ALA A 39 1.633 9.984 2.565 1.00 23.42 H new ATOM 0 HB2 ALA A 39 2.679 11.392 2.865 1.00 23.42 H new ATOM 0 HB3 ALA A 39 1.138 11.226 3.740 1.00 23.42 H new ATOM 650 N LEU A 40 -1.384 11.762 2.377 1.00 4.32 N ATOM 651 CA LEU A 40 -2.779 11.349 2.338 1.00 33.41 C ATOM 652 C LEU A 40 -3.461 11.808 1.053 1.00 2.00 C ATOM 653 O LEU A 40 -4.117 11.015 0.376 1.00 12.23 O ATOM 654 CB LEU A 40 -3.531 11.881 3.560 1.00 63.13 C ATOM 655 CG LEU A 40 -5.022 11.544 3.627 1.00 22.10 C ATOM 656 CD1 LEU A 40 -5.239 10.040 3.573 1.00 50.21 C ATOM 657 CD2 LEU A 40 -5.637 12.126 4.886 1.00 60.24 C ATOM 0 H LEU A 40 -1.165 12.425 3.121 1.00 4.32 H new ATOM 0 HA LEU A 40 -2.802 10.259 2.358 1.00 33.41 H new ATOM 0 HB2 LEU A 40 -3.050 11.491 4.457 1.00 63.13 H new ATOM 0 HB3 LEU A 40 -3.422 12.965 3.586 1.00 63.13 H new ATOM 0 HG LEU A 40 -5.514 11.988 2.762 1.00 22.10 H new ATOM 0 HD11 LEU A 40 -6.306 9.824 3.622 1.00 50.21 H new ATOM 0 HD12 LEU A 40 -4.832 9.647 2.641 1.00 50.21 H new ATOM 0 HD13 LEU A 40 -4.735 9.569 4.417 1.00 50.21 H new ATOM 0 HD21 LEU A 40 -6.698 11.879 4.921 1.00 60.24 H new ATOM 0 HD22 LEU A 40 -5.138 11.709 5.761 1.00 60.24 H new ATOM 0 HD23 LEU A 40 -5.517 13.209 4.882 1.00 60.24 H new ATOM 669 N GLU A 41 -3.298 13.083 0.712 1.00 54.13 N ATOM 670 CA GLU A 41 -3.908 13.623 -0.498 1.00 11.43 C ATOM 671 C GLU A 41 -3.352 12.948 -1.743 1.00 65.24 C ATOM 672 O GLU A 41 -4.065 12.768 -2.735 1.00 64.21 O ATOM 673 CB GLU A 41 -3.728 15.135 -0.588 1.00 2.00 C ATOM 674 CG GLU A 41 -4.491 15.905 0.473 1.00 40.11 C ATOM 675 CD GLU A 41 -4.554 17.380 0.174 1.00 70.02 C ATOM 676 OE1 GLU A 41 -5.406 17.785 -0.641 1.00 21.31 O ATOM 677 OE2 GLU A 41 -3.750 18.150 0.749 1.00 45.23 O ATOM 0 H GLU A 41 -2.754 13.756 1.251 1.00 54.13 H new ATOM 0 HA GLU A 41 -4.976 13.413 -0.441 1.00 11.43 H new ATOM 0 HB2 GLU A 41 -2.667 15.371 -0.503 1.00 2.00 H new ATOM 0 HB3 GLU A 41 -4.052 15.472 -1.573 1.00 2.00 H new ATOM 0 HG2 GLU A 41 -5.503 15.508 0.549 1.00 40.11 H new ATOM 0 HG3 GLU A 41 -4.015 15.753 1.442 1.00 40.11 H new ATOM 684 N LEU A 42 -2.084 12.572 -1.690 1.00 0.12 N ATOM 685 CA LEU A 42 -1.456 11.880 -2.794 1.00 41.12 C ATOM 686 C LEU A 42 -2.060 10.482 -2.927 1.00 15.22 C ATOM 687 O LEU A 42 -2.384 10.031 -4.029 1.00 34.35 O ATOM 688 CB LEU A 42 0.058 11.796 -2.573 1.00 25.12 C ATOM 689 CG LEU A 42 0.875 11.282 -3.754 1.00 44.44 C ATOM 690 CD1 LEU A 42 0.743 12.217 -4.947 1.00 50.55 C ATOM 691 CD2 LEU A 42 2.336 11.116 -3.364 1.00 4.33 C ATOM 0 H LEU A 42 -1.472 12.737 -0.891 1.00 0.12 H new ATOM 0 HA LEU A 42 -1.635 12.432 -3.717 1.00 41.12 H new ATOM 0 HB2 LEU A 42 0.423 12.788 -2.308 1.00 25.12 H new ATOM 0 HB3 LEU A 42 0.246 11.148 -1.717 1.00 25.12 H new ATOM 0 HG LEU A 42 0.483 10.306 -4.040 1.00 44.44 H new ATOM 0 HD11 LEU A 42 1.334 11.832 -5.778 1.00 50.55 H new ATOM 0 HD12 LEU A 42 -0.304 12.282 -5.245 1.00 50.55 H new ATOM 0 HD13 LEU A 42 1.104 13.208 -4.674 1.00 50.55 H new ATOM 0 HD21 LEU A 42 2.902 10.749 -4.220 1.00 4.33 H new ATOM 0 HD22 LEU A 42 2.740 12.078 -3.048 1.00 4.33 H new ATOM 0 HD23 LEU A 42 2.415 10.402 -2.544 1.00 4.33 H new ATOM 703 N ILE A 43 -2.226 9.817 -1.785 1.00 12.20 N ATOM 704 CA ILE A 43 -2.836 8.493 -1.731 1.00 71.21 C ATOM 705 C ILE A 43 -4.265 8.536 -2.271 1.00 13.03 C ATOM 706 O ILE A 43 -4.625 7.756 -3.155 1.00 44.33 O ATOM 707 CB ILE A 43 -2.839 7.936 -0.277 1.00 75.14 C ATOM 708 CG1 ILE A 43 -1.424 7.524 0.147 1.00 14.44 C ATOM 709 CG2 ILE A 43 -3.808 6.768 -0.125 1.00 13.02 C ATOM 710 CD1 ILE A 43 -0.866 6.350 -0.632 1.00 42.23 C ATOM 0 H ILE A 43 -1.942 10.181 -0.875 1.00 12.20 H new ATOM 0 HA ILE A 43 -2.239 7.828 -2.356 1.00 71.21 H new ATOM 0 HB ILE A 43 -3.181 8.735 0.381 1.00 75.14 H new ATOM 0 HG12 ILE A 43 -0.757 8.377 0.027 1.00 14.44 H new ATOM 0 HG13 ILE A 43 -1.432 7.273 1.208 1.00 14.44 H new ATOM 0 HG21 ILE A 43 -3.783 6.406 0.903 1.00 13.02 H new ATOM 0 HG22 ILE A 43 -4.818 7.099 -0.368 1.00 13.02 H new ATOM 0 HG23 ILE A 43 -3.517 5.964 -0.801 1.00 13.02 H new ATOM 0 HD11 ILE A 43 0.137 6.120 -0.274 1.00 42.23 H new ATOM 0 HD12 ILE A 43 -1.510 5.482 -0.492 1.00 42.23 H new ATOM 0 HD13 ILE A 43 -0.824 6.603 -1.691 1.00 42.23 H new ATOM 722 N ASN A 44 -5.067 9.464 -1.745 1.00 23.51 N ATOM 723 CA ASN A 44 -6.458 9.620 -2.178 1.00 72.31 C ATOM 724 C ASN A 44 -6.528 9.862 -3.672 1.00 5.53 C ATOM 725 O ASN A 44 -7.382 9.302 -4.362 1.00 43.51 O ATOM 726 CB ASN A 44 -7.144 10.775 -1.439 1.00 55.43 C ATOM 727 CG ASN A 44 -7.360 10.497 0.037 1.00 25.43 C ATOM 728 OD1 ASN A 44 -7.527 9.348 0.454 1.00 53.33 O ATOM 729 ND2 ASN A 44 -7.375 11.545 0.831 1.00 41.20 N ATOM 0 H ASN A 44 -4.778 10.119 -1.019 1.00 23.51 H new ATOM 0 HA ASN A 44 -6.981 8.694 -1.939 1.00 72.31 H new ATOM 0 HB2 ASN A 44 -6.541 11.676 -1.548 1.00 55.43 H new ATOM 0 HB3 ASN A 44 -8.107 10.977 -1.909 1.00 55.43 H new ATOM 0 HD21 ASN A 44 -7.529 11.424 1.832 1.00 41.20 H new ATOM 0 HD22 ASN A 44 -7.233 12.479 0.446 1.00 41.20 H new ATOM 736 N GLY A 45 -5.615 10.692 -4.168 1.00 73.41 N ATOM 737 CA GLY A 45 -5.563 10.985 -5.582 1.00 10.42 C ATOM 738 C GLY A 45 -5.383 9.733 -6.410 1.00 4.14 C ATOM 739 O GLY A 45 -6.112 9.512 -7.377 1.00 13.32 O ATOM 0 H GLY A 45 -4.907 11.168 -3.608 1.00 73.41 H new ATOM 0 HA2 GLY A 45 -6.481 11.490 -5.882 1.00 10.42 H new ATOM 0 HA3 GLY A 45 -4.741 11.673 -5.780 1.00 10.42 H new ATOM 743 N TYR A 46 -4.429 8.897 -6.014 1.00 42.11 N ATOM 744 CA TYR A 46 -4.166 7.653 -6.723 1.00 65.33 C ATOM 745 C TYR A 46 -5.365 6.718 -6.653 1.00 42.24 C ATOM 746 O TYR A 46 -5.795 6.188 -7.674 1.00 65.50 O ATOM 747 CB TYR A 46 -2.912 6.954 -6.183 1.00 74.12 C ATOM 748 CG TYR A 46 -1.625 7.706 -6.454 1.00 0.32 C ATOM 749 CD1 TYR A 46 -1.395 8.305 -7.688 1.00 4.25 C ATOM 750 CD2 TYR A 46 -0.639 7.810 -5.482 1.00 64.35 C ATOM 751 CE1 TYR A 46 -0.225 8.988 -7.942 1.00 13.12 C ATOM 752 CE2 TYR A 46 0.536 8.493 -5.731 1.00 41.44 C ATOM 753 CZ TYR A 46 0.737 9.080 -6.964 1.00 22.24 C ATOM 754 OH TYR A 46 1.902 9.766 -7.216 1.00 74.04 O ATOM 0 H TYR A 46 -3.827 9.059 -5.207 1.00 42.11 H new ATOM 0 HA TYR A 46 -3.988 7.907 -7.768 1.00 65.33 H new ATOM 0 HB2 TYR A 46 -3.020 6.815 -5.107 1.00 74.12 H new ATOM 0 HB3 TYR A 46 -2.842 5.961 -6.627 1.00 74.12 H new ATOM 0 HD1 TYR A 46 -2.146 8.234 -8.461 1.00 4.25 H new ATOM 0 HD2 TYR A 46 -0.793 7.350 -4.517 1.00 64.35 H new ATOM 0 HE1 TYR A 46 -0.065 9.449 -8.905 1.00 13.12 H new ATOM 0 HE2 TYR A 46 1.293 8.567 -4.965 1.00 41.44 H new ATOM 0 HH TYR A 46 2.501 9.207 -7.753 1.00 74.04 H new ATOM 764 N ILE A 47 -5.915 6.539 -5.449 1.00 12.21 N ATOM 765 CA ILE A 47 -7.078 5.667 -5.252 1.00 64.04 C ATOM 766 C ILE A 47 -8.216 6.067 -6.184 1.00 30.40 C ATOM 767 O ILE A 47 -8.800 5.222 -6.870 1.00 2.23 O ATOM 768 CB ILE A 47 -7.591 5.710 -3.787 1.00 52.44 C ATOM 769 CG1 ILE A 47 -6.509 5.221 -2.823 1.00 51.45 C ATOM 770 CG2 ILE A 47 -8.857 4.870 -3.636 1.00 44.23 C ATOM 771 CD1 ILE A 47 -6.921 5.271 -1.366 1.00 12.44 C ATOM 0 H ILE A 47 -5.575 6.985 -4.597 1.00 12.21 H new ATOM 0 HA ILE A 47 -6.752 4.652 -5.479 1.00 64.04 H new ATOM 0 HB ILE A 47 -7.831 6.744 -3.540 1.00 52.44 H new ATOM 0 HG12 ILE A 47 -6.242 4.196 -3.081 1.00 51.45 H new ATOM 0 HG13 ILE A 47 -5.613 5.827 -2.959 1.00 51.45 H new ATOM 0 HG21 ILE A 47 -9.201 4.913 -2.603 1.00 44.23 H new ATOM 0 HG22 ILE A 47 -9.634 5.261 -4.293 1.00 44.23 H new ATOM 0 HG23 ILE A 47 -8.642 3.836 -3.904 1.00 44.23 H new ATOM 0 HD11 ILE A 47 -6.102 4.909 -0.744 1.00 12.44 H new ATOM 0 HD12 ILE A 47 -7.159 6.298 -1.090 1.00 12.44 H new ATOM 0 HD13 ILE A 47 -7.798 4.642 -1.214 1.00 12.44 H new ATOM 783 N GLN A 48 -8.509 7.359 -6.221 1.00 71.23 N ATOM 784 CA GLN A 48 -9.578 7.879 -7.063 1.00 1.35 C ATOM 785 C GLN A 48 -9.320 7.578 -8.535 1.00 12.42 C ATOM 786 O GLN A 48 -10.230 7.179 -9.265 1.00 45.22 O ATOM 787 CB GLN A 48 -9.748 9.387 -6.862 1.00 41.30 C ATOM 788 CG GLN A 48 -10.203 9.781 -5.467 1.00 44.12 C ATOM 789 CD GLN A 48 -11.428 9.018 -5.017 1.00 22.32 C ATOM 790 OE1 GLN A 48 -11.321 7.961 -4.396 1.00 11.32 O ATOM 791 NE2 GLN A 48 -12.599 9.539 -5.324 1.00 3.10 N ATOM 0 H GLN A 48 -8.020 8.069 -5.676 1.00 71.23 H new ATOM 0 HA GLN A 48 -10.499 7.378 -6.765 1.00 1.35 H new ATOM 0 HB2 GLN A 48 -8.800 9.880 -7.076 1.00 41.30 H new ATOM 0 HB3 GLN A 48 -10.472 9.760 -7.587 1.00 41.30 H new ATOM 0 HG2 GLN A 48 -9.391 9.606 -4.761 1.00 44.12 H new ATOM 0 HG3 GLN A 48 -10.418 10.849 -5.447 1.00 44.12 H new ATOM 0 HE21 GLN A 48 -12.647 10.418 -5.840 1.00 3.10 H new ATOM 0 HE22 GLN A 48 -13.457 9.064 -5.045 1.00 3.10 H new ATOM 800 N LYS A 49 -8.077 7.744 -8.963 1.00 22.11 N ATOM 801 CA LYS A 49 -7.717 7.512 -10.351 1.00 52.32 C ATOM 802 C LYS A 49 -7.789 6.031 -10.708 1.00 11.44 C ATOM 803 O LYS A 49 -8.285 5.668 -11.774 1.00 42.32 O ATOM 804 CB LYS A 49 -6.328 8.073 -10.653 1.00 1.20 C ATOM 805 CG LYS A 49 -6.230 9.578 -10.469 1.00 15.03 C ATOM 806 CD LYS A 49 -4.895 10.113 -10.947 1.00 74.52 C ATOM 807 CE LYS A 49 -4.796 11.614 -10.732 1.00 51.45 C ATOM 808 NZ LYS A 49 -3.622 12.195 -11.429 1.00 1.43 N ATOM 0 H LYS A 49 -7.302 8.038 -8.368 1.00 22.11 H new ATOM 0 HA LYS A 49 -8.443 8.038 -10.971 1.00 52.32 H new ATOM 0 HB2 LYS A 49 -5.599 7.587 -10.004 1.00 1.20 H new ATOM 0 HB3 LYS A 49 -6.058 7.822 -11.679 1.00 1.20 H new ATOM 0 HG2 LYS A 49 -7.036 10.065 -11.018 1.00 15.03 H new ATOM 0 HG3 LYS A 49 -6.366 9.826 -9.416 1.00 15.03 H new ATOM 0 HD2 LYS A 49 -4.087 9.612 -10.413 1.00 74.52 H new ATOM 0 HD3 LYS A 49 -4.767 9.885 -12.005 1.00 74.52 H new ATOM 0 HE2 LYS A 49 -5.706 12.093 -11.092 1.00 51.45 H new ATOM 0 HE3 LYS A 49 -4.726 11.824 -9.665 1.00 51.45 H new ATOM 0 HZ1 LYS A 49 -3.589 13.220 -11.258 1.00 1.43 H new ATOM 0 HZ2 LYS A 49 -2.751 11.756 -11.068 1.00 1.43 H new ATOM 0 HZ3 LYS A 49 -3.701 12.017 -12.451 1.00 1.43 H new ATOM 822 N ILE A 50 -7.309 5.180 -9.819 1.00 22.54 N ATOM 823 CA ILE A 50 -7.326 3.745 -10.065 1.00 44.33 C ATOM 824 C ILE A 50 -8.761 3.221 -10.108 1.00 5.10 C ATOM 825 O ILE A 50 -9.118 2.439 -10.986 1.00 72.15 O ATOM 826 CB ILE A 50 -6.522 2.968 -9.000 1.00 23.32 C ATOM 827 CG1 ILE A 50 -5.098 3.521 -8.905 1.00 72.13 C ATOM 828 CG2 ILE A 50 -6.488 1.483 -9.348 1.00 12.43 C ATOM 829 CD1 ILE A 50 -4.296 2.945 -7.761 1.00 11.25 C ATOM 0 H ILE A 50 -6.904 5.453 -8.924 1.00 22.54 H new ATOM 0 HA ILE A 50 -6.852 3.582 -11.033 1.00 44.33 H new ATOM 0 HB ILE A 50 -7.010 3.091 -8.033 1.00 23.32 H new ATOM 0 HG12 ILE A 50 -4.576 3.319 -9.840 1.00 72.13 H new ATOM 0 HG13 ILE A 50 -5.145 4.604 -8.794 1.00 72.13 H new ATOM 0 HG21 ILE A 50 -5.918 0.945 -8.590 1.00 12.43 H new ATOM 0 HG22 ILE A 50 -7.506 1.094 -9.382 1.00 12.43 H new ATOM 0 HG23 ILE A 50 -6.016 1.348 -10.321 1.00 12.43 H new ATOM 0 HD11 ILE A 50 -3.298 3.384 -7.758 1.00 11.25 H new ATOM 0 HD12 ILE A 50 -4.794 3.170 -6.818 1.00 11.25 H new ATOM 0 HD13 ILE A 50 -4.216 1.865 -7.880 1.00 11.25 H new ATOM 841 N LYS A 51 -9.587 3.684 -9.177 1.00 33.15 N ATOM 842 CA LYS A 51 -10.989 3.268 -9.118 1.00 73.41 C ATOM 843 C LYS A 51 -11.781 3.756 -10.331 1.00 33.54 C ATOM 844 O LYS A 51 -12.865 3.253 -10.612 1.00 55.32 O ATOM 845 CB LYS A 51 -11.651 3.752 -7.823 1.00 64.34 C ATOM 846 CG LYS A 51 -11.371 2.872 -6.610 1.00 21.24 C ATOM 847 CD LYS A 51 -11.997 1.491 -6.775 1.00 73.15 C ATOM 848 CE LYS A 51 -11.872 0.660 -5.508 1.00 31.41 C ATOM 849 NZ LYS A 51 -12.481 -0.688 -5.672 1.00 3.15 N ATOM 0 H LYS A 51 -9.313 4.347 -8.452 1.00 33.15 H new ATOM 0 HA LYS A 51 -10.998 2.178 -9.131 1.00 73.41 H new ATOM 0 HB2 LYS A 51 -11.308 4.765 -7.610 1.00 64.34 H new ATOM 0 HB3 LYS A 51 -12.729 3.806 -7.977 1.00 64.34 H new ATOM 0 HG2 LYS A 51 -10.295 2.772 -6.470 1.00 21.24 H new ATOM 0 HG3 LYS A 51 -11.766 3.348 -5.713 1.00 21.24 H new ATOM 0 HD2 LYS A 51 -13.050 1.598 -7.037 1.00 73.15 H new ATOM 0 HD3 LYS A 51 -11.514 0.969 -7.601 1.00 73.15 H new ATOM 0 HE2 LYS A 51 -10.820 0.554 -5.244 1.00 31.41 H new ATOM 0 HE3 LYS A 51 -12.357 1.180 -4.682 1.00 31.41 H new ATOM 0 HZ1 LYS A 51 -12.407 -1.214 -4.778 1.00 3.15 H new ATOM 0 HZ2 LYS A 51 -13.483 -0.587 -5.932 1.00 3.15 H new ATOM 0 HZ3 LYS A 51 -11.979 -1.207 -6.421 1.00 3.15 H new ATOM 863 N SER A 52 -11.243 4.735 -11.039 1.00 3.42 N ATOM 864 CA SER A 52 -11.896 5.253 -12.231 1.00 65.04 C ATOM 865 C SER A 52 -11.301 4.619 -13.491 1.00 21.00 C ATOM 866 O SER A 52 -11.759 4.870 -14.605 1.00 73.22 O ATOM 867 CB SER A 52 -11.757 6.773 -12.289 1.00 3.33 C ATOM 868 OG SER A 52 -12.204 7.370 -11.078 1.00 63.02 O ATOM 0 H SER A 52 -10.358 5.187 -10.810 1.00 3.42 H new ATOM 0 HA SER A 52 -12.954 4.997 -12.184 1.00 65.04 H new ATOM 0 HB2 SER A 52 -10.716 7.040 -12.468 1.00 3.33 H new ATOM 0 HB3 SER A 52 -12.335 7.163 -13.127 1.00 3.33 H new ATOM 0 HG SER A 52 -11.454 7.438 -10.451 1.00 63.02 H new ATOM 874 N GLY A 53 -10.275 3.792 -13.302 1.00 51.24 N ATOM 875 CA GLY A 53 -9.623 3.143 -14.424 1.00 71.34 C ATOM 876 C GLY A 53 -8.680 4.073 -15.157 1.00 41.05 C ATOM 877 O GLY A 53 -8.245 3.781 -16.272 1.00 63.40 O ATOM 0 H GLY A 53 -9.884 3.560 -12.389 1.00 51.24 H new ATOM 0 HA2 GLY A 53 -9.069 2.275 -14.067 1.00 71.34 H new ATOM 0 HA3 GLY A 53 -10.379 2.775 -15.118 1.00 71.34 H new ATOM 881 N GLU A 54 -8.359 5.190 -14.523 1.00 55.33 N ATOM 882 CA GLU A 54 -7.480 6.190 -15.105 1.00 2.43 C ATOM 883 C GLU A 54 -6.035 5.703 -15.032 1.00 12.23 C ATOM 884 O GLU A 54 -5.324 5.670 -16.034 1.00 65.24 O ATOM 885 CB GLU A 54 -7.648 7.522 -14.344 1.00 50.41 C ATOM 886 CG GLU A 54 -7.431 8.788 -15.178 1.00 70.45 C ATOM 887 CD GLU A 54 -5.982 9.051 -15.531 1.00 43.40 C ATOM 888 OE1 GLU A 54 -5.277 9.705 -14.731 1.00 3.24 O ATOM 889 OE2 GLU A 54 -5.547 8.633 -16.617 1.00 43.40 O ATOM 0 H GLU A 54 -8.700 5.428 -13.592 1.00 55.33 H new ATOM 0 HA GLU A 54 -7.739 6.350 -16.152 1.00 2.43 H new ATOM 0 HB2 GLU A 54 -8.652 7.554 -13.920 1.00 50.41 H new ATOM 0 HB3 GLU A 54 -6.948 7.534 -13.508 1.00 50.41 H new ATOM 0 HG2 GLU A 54 -8.010 8.708 -16.098 1.00 70.45 H new ATOM 0 HG3 GLU A 54 -7.822 9.644 -14.628 1.00 70.45 H new ATOM 896 N GLU A 55 -5.626 5.287 -13.846 1.00 45.10 N ATOM 897 CA GLU A 55 -4.269 4.819 -13.622 1.00 23.43 C ATOM 898 C GLU A 55 -4.259 3.372 -13.150 1.00 40.32 C ATOM 899 O GLU A 55 -5.195 2.917 -12.488 1.00 22.23 O ATOM 900 CB GLU A 55 -3.574 5.702 -12.588 1.00 31.42 C ATOM 901 CG GLU A 55 -3.333 7.126 -13.051 1.00 14.52 C ATOM 902 CD GLU A 55 -2.194 7.238 -14.044 1.00 50.11 C ATOM 903 OE1 GLU A 55 -2.260 6.604 -15.117 1.00 14.22 O ATOM 904 OE2 GLU A 55 -1.227 7.982 -13.761 1.00 64.41 O ATOM 0 H GLU A 55 -6.220 5.264 -13.017 1.00 45.10 H new ATOM 0 HA GLU A 55 -3.732 4.876 -14.569 1.00 23.43 H new ATOM 0 HB2 GLU A 55 -4.177 5.724 -11.680 1.00 31.42 H new ATOM 0 HB3 GLU A 55 -2.618 5.250 -12.324 1.00 31.42 H new ATOM 0 HG2 GLU A 55 -4.244 7.514 -13.506 1.00 14.52 H new ATOM 0 HG3 GLU A 55 -3.117 7.752 -12.186 1.00 14.52 H new ATOM 911 N ASP A 56 -3.210 2.656 -13.504 1.00 53.35 N ATOM 912 CA ASP A 56 -3.040 1.271 -13.085 1.00 4.34 C ATOM 913 C ASP A 56 -2.352 1.218 -11.728 1.00 32.11 C ATOM 914 O ASP A 56 -1.337 1.890 -11.511 1.00 61.05 O ATOM 915 CB ASP A 56 -2.228 0.497 -14.129 1.00 53.21 C ATOM 916 CG ASP A 56 -1.891 -0.916 -13.697 1.00 3.15 C ATOM 917 OD1 ASP A 56 -2.739 -1.814 -13.858 1.00 40.32 O ATOM 918 OD2 ASP A 56 -0.776 -1.134 -13.202 1.00 40.43 O ATOM 0 H ASP A 56 -2.453 3.012 -14.087 1.00 53.35 H new ATOM 0 HA ASP A 56 -4.021 0.805 -12.997 1.00 4.34 H new ATOM 0 HB2 ASP A 56 -2.790 0.460 -15.062 1.00 53.21 H new ATOM 0 HB3 ASP A 56 -1.304 1.037 -14.334 1.00 53.21 H new ATOM 923 N PHE A 57 -2.910 0.425 -10.821 1.00 2.42 N ATOM 924 CA PHE A 57 -2.389 0.302 -9.460 1.00 74.34 C ATOM 925 C PHE A 57 -0.943 -0.171 -9.462 1.00 60.41 C ATOM 926 O PHE A 57 -0.071 0.466 -8.868 1.00 14.33 O ATOM 927 CB PHE A 57 -3.256 -0.674 -8.647 1.00 65.43 C ATOM 928 CG PHE A 57 -2.836 -0.824 -7.205 1.00 15.55 C ATOM 929 CD1 PHE A 57 -1.820 -1.698 -6.849 1.00 11.41 C ATOM 930 CD2 PHE A 57 -3.461 -0.097 -6.210 1.00 44.45 C ATOM 931 CE1 PHE A 57 -1.438 -1.836 -5.534 1.00 53.35 C ATOM 932 CE2 PHE A 57 -3.083 -0.234 -4.893 1.00 44.03 C ATOM 933 CZ PHE A 57 -2.071 -1.104 -4.555 1.00 13.11 C ATOM 0 H PHE A 57 -3.733 -0.149 -11.004 1.00 2.42 H new ATOM 0 HA PHE A 57 -2.424 1.289 -8.998 1.00 74.34 H new ATOM 0 HB2 PHE A 57 -4.291 -0.335 -8.678 1.00 65.43 H new ATOM 0 HB3 PHE A 57 -3.227 -1.653 -9.126 1.00 65.43 H new ATOM 0 HD1 PHE A 57 -1.323 -2.277 -7.613 1.00 11.41 H new ATOM 0 HD2 PHE A 57 -4.256 0.587 -6.468 1.00 44.45 H new ATOM 0 HE1 PHE A 57 -0.643 -2.518 -5.271 1.00 53.35 H new ATOM 0 HE2 PHE A 57 -3.580 0.341 -4.126 1.00 44.03 H new ATOM 0 HZ PHE A 57 -1.774 -1.212 -3.522 1.00 13.11 H new ATOM 943 N GLU A 58 -0.698 -1.278 -10.143 1.00 54.41 N ATOM 944 CA GLU A 58 0.626 -1.880 -10.189 1.00 43.34 C ATOM 945 C GLU A 58 1.653 -0.935 -10.822 1.00 31.23 C ATOM 946 O GLU A 58 2.821 -0.926 -10.436 1.00 4.54 O ATOM 947 CB GLU A 58 0.569 -3.226 -10.919 1.00 61.14 C ATOM 948 CG GLU A 58 -0.250 -4.277 -10.176 1.00 71.54 C ATOM 949 CD GLU A 58 -0.230 -5.632 -10.849 1.00 2.45 C ATOM 950 OE1 GLU A 58 0.744 -6.390 -10.645 1.00 73.41 O ATOM 951 OE2 GLU A 58 -1.191 -5.957 -11.580 1.00 51.10 O ATOM 0 H GLU A 58 -1.406 -1.783 -10.677 1.00 54.41 H new ATOM 0 HA GLU A 58 0.956 -2.061 -9.166 1.00 43.34 H new ATOM 0 HB2 GLU A 58 0.143 -3.077 -11.911 1.00 61.14 H new ATOM 0 HB3 GLU A 58 1.583 -3.599 -11.061 1.00 61.14 H new ATOM 0 HG2 GLU A 58 0.134 -4.377 -9.161 1.00 71.54 H new ATOM 0 HG3 GLU A 58 -1.281 -3.934 -10.094 1.00 71.54 H new ATOM 958 N SER A 59 1.211 -0.138 -11.781 1.00 35.41 N ATOM 959 CA SER A 59 2.076 0.841 -12.414 1.00 71.22 C ATOM 960 C SER A 59 2.440 1.945 -11.423 1.00 4.45 C ATOM 961 O SER A 59 3.608 2.298 -11.274 1.00 32.42 O ATOM 962 CB SER A 59 1.395 1.444 -13.643 1.00 50.24 C ATOM 963 OG SER A 59 1.006 0.432 -14.556 1.00 63.44 O ATOM 0 H SER A 59 0.256 -0.151 -12.138 1.00 35.41 H new ATOM 0 HA SER A 59 2.989 0.338 -12.733 1.00 71.22 H new ATOM 0 HB2 SER A 59 0.520 2.016 -13.334 1.00 50.24 H new ATOM 0 HB3 SER A 59 2.074 2.141 -14.134 1.00 50.24 H new ATOM 0 HG SER A 59 0.451 -0.230 -14.093 1.00 63.44 H new ATOM 969 N LEU A 60 1.436 2.472 -10.729 1.00 42.31 N ATOM 970 CA LEU A 60 1.656 3.532 -9.753 1.00 72.54 C ATOM 971 C LEU A 60 2.533 3.047 -8.608 1.00 55.21 C ATOM 972 O LEU A 60 3.426 3.764 -8.156 1.00 22.44 O ATOM 973 CB LEU A 60 0.329 4.060 -9.210 1.00 61.44 C ATOM 974 CG LEU A 60 -0.559 4.796 -10.213 1.00 2.42 C ATOM 975 CD1 LEU A 60 -1.855 5.222 -9.553 1.00 62.41 C ATOM 976 CD2 LEU A 60 0.166 6.004 -10.788 1.00 30.13 C ATOM 0 H LEU A 60 0.463 2.182 -10.825 1.00 42.31 H new ATOM 0 HA LEU A 60 2.171 4.346 -10.263 1.00 72.54 H new ATOM 0 HB2 LEU A 60 -0.235 3.220 -8.803 1.00 61.44 H new ATOM 0 HB3 LEU A 60 0.541 4.733 -8.380 1.00 61.44 H new ATOM 0 HG LEU A 60 -0.791 4.115 -11.032 1.00 2.42 H new ATOM 0 HD11 LEU A 60 -2.478 5.745 -10.279 1.00 62.41 H new ATOM 0 HD12 LEU A 60 -2.384 4.342 -9.188 1.00 62.41 H new ATOM 0 HD13 LEU A 60 -1.636 5.886 -8.717 1.00 62.41 H new ATOM 0 HD21 LEU A 60 -0.484 6.514 -11.500 1.00 30.13 H new ATOM 0 HD22 LEU A 60 0.428 6.689 -9.982 1.00 30.13 H new ATOM 0 HD23 LEU A 60 1.073 5.676 -11.295 1.00 30.13 H new ATOM 988 N ALA A 61 2.293 1.821 -8.162 1.00 2.14 N ATOM 989 CA ALA A 61 3.064 1.232 -7.073 1.00 11.31 C ATOM 990 C ALA A 61 4.490 0.909 -7.516 1.00 24.31 C ATOM 991 O ALA A 61 5.361 0.642 -6.696 1.00 45.32 O ATOM 992 CB ALA A 61 2.372 -0.018 -6.547 1.00 63.12 C ATOM 0 H ALA A 61 1.567 1.212 -8.539 1.00 2.14 H new ATOM 0 HA ALA A 61 3.122 1.964 -6.268 1.00 11.31 H new ATOM 0 HB1 ALA A 61 2.960 -0.445 -5.735 1.00 63.12 H new ATOM 0 HB2 ALA A 61 1.380 0.243 -6.178 1.00 63.12 H new ATOM 0 HB3 ALA A 61 2.279 -0.748 -7.351 1.00 63.12 H new ATOM 998 N SER A 62 4.718 0.943 -8.812 1.00 41.34 N ATOM 999 CA SER A 62 6.028 0.671 -9.364 1.00 34.25 C ATOM 1000 C SER A 62 6.780 1.982 -9.625 1.00 1.14 C ATOM 1001 O SER A 62 7.985 1.981 -9.879 1.00 4.33 O ATOM 1002 CB SER A 62 5.881 -0.125 -10.671 1.00 54.23 C ATOM 1003 OG SER A 62 7.128 -0.640 -11.119 1.00 32.43 O ATOM 0 H SER A 62 4.005 1.159 -9.509 1.00 41.34 H new ATOM 0 HA SER A 62 6.601 0.082 -8.647 1.00 34.25 H new ATOM 0 HB2 SER A 62 5.182 -0.947 -10.519 1.00 54.23 H new ATOM 0 HB3 SER A 62 5.455 0.517 -11.442 1.00 54.23 H new ATOM 0 HG SER A 62 7.535 -1.176 -10.407 1.00 32.43 H new ATOM 1009 N GLN A 63 6.062 3.095 -9.552 1.00 72.32 N ATOM 1010 CA GLN A 63 6.647 4.396 -9.848 1.00 20.41 C ATOM 1011 C GLN A 63 6.696 5.305 -8.621 1.00 34.31 C ATOM 1012 O GLN A 63 7.754 5.802 -8.246 1.00 73.50 O ATOM 1013 CB GLN A 63 5.853 5.088 -10.959 1.00 60.50 C ATOM 1014 CG GLN A 63 5.803 4.312 -12.267 1.00 33.34 C ATOM 1015 CD GLN A 63 4.880 4.945 -13.299 1.00 51.12 C ATOM 1016 OE1 GLN A 63 3.836 5.615 -12.837 1.00 13.10 O flip ATOM 1017 NE2 GLN A 63 5.102 4.828 -14.500 1.00 72.14 N flip ATOM 0 H GLN A 63 5.076 3.123 -9.291 1.00 72.32 H new ATOM 0 HA GLN A 63 7.672 4.218 -10.172 1.00 20.41 H new ATOM 0 HB2 GLN A 63 4.834 5.257 -10.611 1.00 60.50 H new ATOM 0 HB3 GLN A 63 6.292 6.068 -11.147 1.00 60.50 H new ATOM 0 HG2 GLN A 63 6.809 4.243 -12.681 1.00 33.34 H new ATOM 0 HG3 GLN A 63 5.471 3.294 -12.066 1.00 33.34 H new ATOM 0 HE21 GLN A 63 5.917 4.304 -14.819 1.00 72.14 H new ATOM 0 HE22 GLN A 63 4.472 5.255 -15.179 1.00 72.14 H new ATOM 1026 N PHE A 64 5.548 5.504 -7.990 1.00 72.01 N ATOM 1027 CA PHE A 64 5.434 6.469 -6.902 1.00 13.33 C ATOM 1028 C PHE A 64 5.272 5.802 -5.539 1.00 32.23 C ATOM 1029 O PHE A 64 4.621 6.349 -4.649 1.00 61.21 O ATOM 1030 CB PHE A 64 4.253 7.406 -7.164 1.00 0.25 C ATOM 1031 CG PHE A 64 4.335 8.134 -8.479 1.00 35.50 C ATOM 1032 CD1 PHE A 64 5.184 9.217 -8.636 1.00 61.14 C ATOM 1033 CD2 PHE A 64 3.557 7.736 -9.556 1.00 63.51 C ATOM 1034 CE1 PHE A 64 5.258 9.888 -9.841 1.00 72.33 C ATOM 1035 CE2 PHE A 64 3.627 8.404 -10.763 1.00 71.00 C ATOM 1036 CZ PHE A 64 4.478 9.481 -10.906 1.00 3.13 C ATOM 0 H PHE A 64 4.682 5.012 -8.211 1.00 72.01 H new ATOM 0 HA PHE A 64 6.365 7.035 -6.874 1.00 13.33 H new ATOM 0 HB2 PHE A 64 3.329 6.828 -7.137 1.00 0.25 H new ATOM 0 HB3 PHE A 64 4.195 8.137 -6.358 1.00 0.25 H new ATOM 0 HD1 PHE A 64 5.795 9.541 -7.807 1.00 61.14 H new ATOM 0 HD2 PHE A 64 2.889 6.894 -9.450 1.00 63.51 H new ATOM 0 HE1 PHE A 64 5.925 10.730 -9.950 1.00 72.33 H new ATOM 0 HE2 PHE A 64 3.016 8.084 -11.594 1.00 71.00 H new ATOM 0 HZ PHE A 64 4.534 10.005 -11.849 1.00 3.13 H new ATOM 1046 N SER A 65 5.868 4.648 -5.361 1.00 72.35 N ATOM 1047 CA SER A 65 5.795 3.978 -4.081 1.00 44.34 C ATOM 1048 C SER A 65 7.169 3.943 -3.427 1.00 41.51 C ATOM 1049 O SER A 65 8.152 3.522 -4.045 1.00 43.14 O ATOM 1050 CB SER A 65 5.231 2.562 -4.230 1.00 14.45 C ATOM 1051 OG SER A 65 4.977 1.977 -2.960 1.00 65.33 O ATOM 0 H SER A 65 6.404 4.156 -6.076 1.00 72.35 H new ATOM 0 HA SER A 65 5.116 4.540 -3.440 1.00 44.34 H new ATOM 0 HB2 SER A 65 4.309 2.594 -4.810 1.00 14.45 H new ATOM 0 HB3 SER A 65 5.936 1.943 -4.785 1.00 14.45 H new ATOM 0 HG SER A 65 4.970 2.676 -2.273 1.00 65.33 H new ATOM 1057 N ASP A 66 7.239 4.395 -2.183 1.00 24.25 N ATOM 1058 CA ASP A 66 8.496 4.419 -1.442 1.00 22.32 C ATOM 1059 C ASP A 66 8.781 3.043 -0.866 1.00 13.45 C ATOM 1060 O ASP A 66 8.753 2.841 0.351 1.00 10.31 O ATOM 1061 CB ASP A 66 8.450 5.454 -0.308 1.00 3.51 C ATOM 1062 CG ASP A 66 7.941 6.808 -0.752 1.00 70.54 C ATOM 1063 OD1 ASP A 66 8.718 7.593 -1.325 1.00 53.32 O ATOM 1064 OD2 ASP A 66 6.753 7.101 -0.514 1.00 55.31 O ATOM 0 H ASP A 66 6.438 4.752 -1.662 1.00 24.25 H new ATOM 0 HA ASP A 66 9.292 4.700 -2.132 1.00 22.32 H new ATOM 0 HB2 ASP A 66 7.812 5.078 0.492 1.00 3.51 H new ATOM 0 HB3 ASP A 66 9.450 5.569 0.110 1.00 3.51 H new ATOM 1069 N CYS A 67 9.031 2.095 -1.739 1.00 61.50 N ATOM 1070 CA CYS A 67 9.282 0.734 -1.333 1.00 52.24 C ATOM 1071 C CYS A 67 10.033 -0.012 -2.426 1.00 64.51 C ATOM 1072 O CYS A 67 9.853 0.268 -3.612 1.00 75.54 O ATOM 1073 CB CYS A 67 7.947 0.034 -1.034 1.00 22.35 C ATOM 1074 SG CYS A 67 8.101 -1.660 -0.435 1.00 71.53 S ATOM 0 H CYS A 67 9.066 2.246 -2.747 1.00 61.50 H new ATOM 0 HA CYS A 67 9.896 0.736 -0.432 1.00 52.24 H new ATOM 0 HB2 CYS A 67 7.404 0.619 -0.292 1.00 22.35 H new ATOM 0 HB3 CYS A 67 7.343 0.030 -1.941 1.00 22.35 H new ATOM 0 HG CYS A 67 6.918 -2.151 -0.214 1.00 71.53 H new ATOM 1080 N SER A 68 10.876 -0.955 -2.025 1.00 53.21 N ATOM 1081 CA SER A 68 11.632 -1.772 -2.965 1.00 62.34 C ATOM 1082 C SER A 68 10.698 -2.748 -3.686 1.00 22.02 C ATOM 1083 O SER A 68 11.075 -3.388 -4.669 1.00 73.00 O ATOM 1084 CB SER A 68 12.729 -2.538 -2.226 1.00 14.25 C ATOM 1085 OG SER A 68 13.544 -1.653 -1.469 1.00 33.20 O ATOM 0 H SER A 68 11.054 -1.174 -1.045 1.00 53.21 H new ATOM 0 HA SER A 68 12.095 -1.121 -3.706 1.00 62.34 H new ATOM 0 HB2 SER A 68 12.279 -3.279 -1.565 1.00 14.25 H new ATOM 0 HB3 SER A 68 13.344 -3.082 -2.943 1.00 14.25 H new ATOM 0 HG SER A 68 14.238 -2.165 -1.003 1.00 33.20 H new ATOM 1091 N SER A 69 9.469 -2.842 -3.184 1.00 70.14 N ATOM 1092 CA SER A 69 8.446 -3.696 -3.760 1.00 70.21 C ATOM 1093 C SER A 69 7.993 -3.140 -5.116 1.00 32.52 C ATOM 1094 O SER A 69 7.283 -3.806 -5.868 1.00 62.34 O ATOM 1095 CB SER A 69 7.259 -3.794 -2.792 1.00 41.23 C ATOM 1096 OG SER A 69 6.313 -4.773 -3.197 1.00 4.13 O ATOM 0 H SER A 69 9.158 -2.324 -2.362 1.00 70.14 H new ATOM 0 HA SER A 69 8.855 -4.693 -3.921 1.00 70.21 H new ATOM 0 HB2 SER A 69 7.625 -4.037 -1.795 1.00 41.23 H new ATOM 0 HB3 SER A 69 6.768 -2.823 -2.724 1.00 41.23 H new ATOM 0 HG SER A 69 5.614 -4.854 -2.515 1.00 4.13 H new ATOM 1102 N ALA A 70 8.422 -1.910 -5.418 1.00 33.30 N ATOM 1103 CA ALA A 70 8.091 -1.252 -6.677 1.00 3.51 C ATOM 1104 C ALA A 70 8.572 -2.070 -7.874 1.00 44.24 C ATOM 1105 O ALA A 70 7.953 -2.049 -8.938 1.00 4.22 O ATOM 1106 CB ALA A 70 8.690 0.144 -6.714 1.00 33.40 C ATOM 0 H ALA A 70 9.005 -1.349 -4.797 1.00 33.30 H new ATOM 0 HA ALA A 70 7.006 -1.173 -6.741 1.00 3.51 H new ATOM 0 HB1 ALA A 70 8.436 0.624 -7.659 1.00 33.40 H new ATOM 0 HB2 ALA A 70 8.291 0.733 -5.888 1.00 33.40 H new ATOM 0 HB3 ALA A 70 9.774 0.077 -6.621 1.00 33.40 H new ATOM 1112 N LYS A 71 9.674 -2.800 -7.693 1.00 71.04 N ATOM 1113 CA LYS A 71 10.207 -3.655 -8.756 1.00 73.44 C ATOM 1114 C LYS A 71 9.226 -4.785 -9.063 1.00 65.14 C ATOM 1115 O LYS A 71 9.117 -5.245 -10.201 1.00 52.25 O ATOM 1116 CB LYS A 71 11.575 -4.234 -8.358 1.00 33.41 C ATOM 1117 CG LYS A 71 12.668 -3.190 -8.096 1.00 30.40 C ATOM 1118 CD LYS A 71 13.401 -2.756 -9.375 1.00 14.43 C ATOM 1119 CE LYS A 71 12.498 -1.996 -10.337 1.00 11.34 C ATOM 1120 NZ LYS A 71 13.249 -1.423 -11.482 1.00 3.21 N ATOM 0 H LYS A 71 10.212 -2.817 -6.827 1.00 71.04 H new ATOM 0 HA LYS A 71 10.340 -3.047 -9.651 1.00 73.44 H new ATOM 0 HB2 LYS A 71 11.449 -4.840 -7.461 1.00 33.41 H new ATOM 0 HB3 LYS A 71 11.914 -4.903 -9.149 1.00 33.41 H new ATOM 0 HG2 LYS A 71 12.221 -2.315 -7.625 1.00 30.40 H new ATOM 0 HG3 LYS A 71 13.391 -3.598 -7.390 1.00 30.40 H new ATOM 0 HD2 LYS A 71 14.251 -2.128 -9.107 1.00 14.43 H new ATOM 0 HD3 LYS A 71 13.801 -3.637 -9.877 1.00 14.43 H new ATOM 0 HE2 LYS A 71 11.725 -2.666 -10.712 1.00 11.34 H new ATOM 0 HE3 LYS A 71 11.992 -1.194 -9.800 1.00 11.34 H new ATOM 0 HZ1 LYS A 71 12.592 -0.915 -12.109 1.00 3.21 H new ATOM 0 HZ2 LYS A 71 13.970 -0.763 -11.128 1.00 3.21 H new ATOM 0 HZ3 LYS A 71 13.711 -2.189 -12.012 1.00 3.21 H new ATOM 1134 N ALA A 72 8.500 -5.210 -8.039 1.00 23.35 N ATOM 1135 CA ALA A 72 7.495 -6.250 -8.175 1.00 0.21 C ATOM 1136 C ALA A 72 6.132 -5.629 -8.478 1.00 5.21 C ATOM 1137 O ALA A 72 5.101 -6.305 -8.431 1.00 14.11 O ATOM 1138 CB ALA A 72 7.426 -7.076 -6.899 1.00 21.50 C ATOM 0 H ALA A 72 8.592 -4.843 -7.092 1.00 23.35 H new ATOM 0 HA ALA A 72 7.772 -6.903 -9.002 1.00 0.21 H new ATOM 0 HB1 ALA A 72 6.670 -7.854 -7.009 1.00 21.50 H new ATOM 0 HB2 ALA A 72 8.396 -7.537 -6.711 1.00 21.50 H new ATOM 0 HB3 ALA A 72 7.163 -6.430 -6.061 1.00 21.50 H new ATOM 1144 N ARG A 73 6.154 -4.329 -8.789 1.00 73.00 N ATOM 1145 CA ARG A 73 4.953 -3.534 -9.096 1.00 12.43 C ATOM 1146 C ARG A 73 4.056 -3.381 -7.876 1.00 3.34 C ATOM 1147 O ARG A 73 2.875 -3.070 -7.998 1.00 24.22 O ATOM 1148 CB ARG A 73 4.153 -4.115 -10.268 1.00 31.14 C ATOM 1149 CG ARG A 73 4.955 -4.314 -11.537 1.00 42.12 C ATOM 1150 CD ARG A 73 4.051 -4.398 -12.761 1.00 70.32 C ATOM 1151 NE ARG A 73 2.956 -5.364 -12.598 1.00 52.11 N ATOM 1152 CZ ARG A 73 2.285 -5.917 -13.615 1.00 12.12 C ATOM 1153 NH1 ARG A 73 2.640 -5.665 -14.872 1.00 32.42 N ATOM 1154 NH2 ARG A 73 1.262 -6.723 -13.370 1.00 25.15 N ATOM 0 H ARG A 73 7.018 -3.788 -8.836 1.00 73.00 H new ATOM 0 HA ARG A 73 5.309 -2.547 -9.392 1.00 12.43 H new ATOM 0 HB2 ARG A 73 3.732 -5.074 -9.965 1.00 31.14 H new ATOM 0 HB3 ARG A 73 3.314 -3.453 -10.483 1.00 31.14 H new ATOM 0 HG2 ARG A 73 5.657 -3.489 -11.658 1.00 42.12 H new ATOM 0 HG3 ARG A 73 5.546 -5.227 -11.456 1.00 42.12 H new ATOM 0 HD2 ARG A 73 3.632 -3.413 -12.965 1.00 70.32 H new ATOM 0 HD3 ARG A 73 4.648 -4.677 -13.629 1.00 70.32 H new ATOM 0 HE ARG A 73 2.691 -5.630 -11.650 1.00 52.11 H new ATOM 0 HH11 ARG A 73 3.428 -5.047 -15.065 1.00 32.42 H new ATOM 0 HH12 ARG A 73 2.124 -6.090 -15.643 1.00 32.42 H new ATOM 0 HH21 ARG A 73 0.988 -6.921 -12.408 1.00 25.15 H new ATOM 0 HH22 ARG A 73 0.749 -7.146 -14.144 1.00 25.15 H new ATOM 1168 N GLY A 74 4.625 -3.586 -6.704 1.00 54.02 N ATOM 1169 CA GLY A 74 3.867 -3.446 -5.487 1.00 2.40 C ATOM 1170 C GLY A 74 3.104 -4.700 -5.122 1.00 10.22 C ATOM 1171 O GLY A 74 2.201 -4.661 -4.295 1.00 5.41 O ATOM 0 H GLY A 74 5.602 -3.848 -6.574 1.00 54.02 H new ATOM 0 HA2 GLY A 74 4.543 -3.187 -4.672 1.00 2.40 H new ATOM 0 HA3 GLY A 74 3.166 -2.618 -5.595 1.00 2.40 H new ATOM 1175 N ASP A 75 3.454 -5.811 -5.729 1.00 55.02 N ATOM 1176 CA ASP A 75 2.789 -7.067 -5.419 1.00 53.41 C ATOM 1177 C ASP A 75 3.505 -7.797 -4.296 1.00 30.45 C ATOM 1178 O ASP A 75 4.713 -8.027 -4.362 1.00 25.14 O ATOM 1179 CB ASP A 75 2.691 -7.967 -6.650 1.00 23.21 C ATOM 1180 CG ASP A 75 2.125 -9.336 -6.315 1.00 23.01 C ATOM 1181 OD1 ASP A 75 0.947 -9.414 -5.911 1.00 12.50 O ATOM 1182 OD2 ASP A 75 2.856 -10.338 -6.457 1.00 15.22 O ATOM 0 H ASP A 75 4.188 -5.877 -6.435 1.00 55.02 H new ATOM 0 HA ASP A 75 1.778 -6.826 -5.092 1.00 53.41 H new ATOM 0 HB2 ASP A 75 2.060 -7.488 -7.399 1.00 23.21 H new ATOM 0 HB3 ASP A 75 3.680 -8.083 -7.093 1.00 23.21 H new ATOM 1187 N LEU A 76 2.761 -8.145 -3.261 1.00 41.33 N ATOM 1188 CA LEU A 76 3.313 -8.876 -2.129 1.00 14.50 C ATOM 1189 C LEU A 76 3.191 -10.368 -2.343 1.00 41.31 C ATOM 1190 O LEU A 76 3.887 -11.158 -1.695 1.00 43.02 O ATOM 1191 CB LEU A 76 2.589 -8.496 -0.836 1.00 42.51 C ATOM 1192 CG LEU A 76 2.953 -7.147 -0.232 1.00 42.30 C ATOM 1193 CD1 LEU A 76 1.988 -6.793 0.886 1.00 24.03 C ATOM 1194 CD2 LEU A 76 4.379 -7.174 0.292 1.00 54.40 C ATOM 0 H LEU A 76 1.767 -7.933 -3.179 1.00 41.33 H new ATOM 0 HA LEU A 76 4.367 -8.609 -2.046 1.00 14.50 H new ATOM 0 HB2 LEU A 76 1.516 -8.507 -1.029 1.00 42.51 H new ATOM 0 HB3 LEU A 76 2.787 -9.268 -0.093 1.00 42.51 H new ATOM 0 HG LEU A 76 2.880 -6.386 -1.009 1.00 42.30 H new ATOM 0 HD11 LEU A 76 2.260 -5.826 1.309 1.00 24.03 H new ATOM 0 HD12 LEU A 76 0.974 -6.743 0.489 1.00 24.03 H new ATOM 0 HD13 LEU A 76 2.036 -7.555 1.663 1.00 24.03 H new ATOM 0 HD21 LEU A 76 4.627 -6.203 0.721 1.00 54.40 H new ATOM 0 HD22 LEU A 76 4.471 -7.944 1.058 1.00 54.40 H new ATOM 0 HD23 LEU A 76 5.064 -7.394 -0.527 1.00 54.40 H new ATOM 1206 N GLY A 77 2.317 -10.751 -3.258 1.00 21.50 N ATOM 1207 CA GLY A 77 2.061 -12.147 -3.483 1.00 71.35 C ATOM 1208 C GLY A 77 1.152 -12.701 -2.413 1.00 2.32 C ATOM 1209 O GLY A 77 0.636 -11.947 -1.584 1.00 3.20 O ATOM 0 H GLY A 77 1.781 -10.115 -3.848 1.00 21.50 H new ATOM 0 HA2 GLY A 77 1.604 -12.285 -4.463 1.00 71.35 H new ATOM 0 HA3 GLY A 77 3.001 -12.698 -3.490 1.00 71.35 H new ATOM 1213 N ALA A 78 0.937 -13.995 -2.423 1.00 25.21 N ATOM 1214 CA ALA A 78 0.109 -14.618 -1.415 1.00 51.14 C ATOM 1215 C ALA A 78 0.922 -14.862 -0.156 1.00 54.12 C ATOM 1216 O ALA A 78 1.840 -15.692 -0.145 1.00 1.45 O ATOM 1217 CB ALA A 78 -0.489 -15.915 -1.936 1.00 62.40 C ATOM 0 H ALA A 78 1.322 -14.637 -3.116 1.00 25.21 H new ATOM 0 HA ALA A 78 -0.715 -13.947 -1.172 1.00 51.14 H new ATOM 0 HB1 ALA A 78 -1.108 -16.367 -1.161 1.00 62.40 H new ATOM 0 HB2 ALA A 78 -1.100 -15.707 -2.814 1.00 62.40 H new ATOM 0 HB3 ALA A 78 0.313 -16.602 -2.207 1.00 62.40 H new ATOM 1223 N PHE A 79 0.610 -14.132 0.889 1.00 3.20 N ATOM 1224 CA PHE A 79 1.330 -14.254 2.138 1.00 24.23 C ATOM 1225 C PHE A 79 0.415 -14.734 3.247 1.00 32.04 C ATOM 1226 O PHE A 79 -0.788 -14.460 3.236 1.00 54.14 O ATOM 1227 CB PHE A 79 1.987 -12.915 2.524 1.00 30.31 C ATOM 1228 CG PHE A 79 1.021 -11.765 2.670 1.00 75.22 C ATOM 1229 CD1 PHE A 79 0.420 -11.493 3.891 1.00 71.11 C ATOM 1230 CD2 PHE A 79 0.716 -10.959 1.586 1.00 73.42 C ATOM 1231 CE1 PHE A 79 -0.464 -10.441 4.025 1.00 25.03 C ATOM 1232 CE2 PHE A 79 -0.167 -9.907 1.715 1.00 75.00 C ATOM 1233 CZ PHE A 79 -0.758 -9.647 2.935 1.00 2.21 C ATOM 0 H PHE A 79 -0.142 -13.443 0.900 1.00 3.20 H new ATOM 0 HA PHE A 79 2.116 -14.996 1.999 1.00 24.23 H new ATOM 0 HB2 PHE A 79 2.523 -13.045 3.464 1.00 30.31 H new ATOM 0 HB3 PHE A 79 2.728 -12.657 1.768 1.00 30.31 H new ATOM 0 HD1 PHE A 79 0.647 -12.112 4.747 1.00 71.11 H new ATOM 0 HD2 PHE A 79 1.175 -11.156 0.628 1.00 73.42 H new ATOM 0 HE1 PHE A 79 -0.925 -10.240 4.981 1.00 25.03 H new ATOM 0 HE2 PHE A 79 -0.396 -9.287 0.861 1.00 75.00 H new ATOM 0 HZ PHE A 79 -1.449 -8.824 3.036 1.00 2.21 H new ATOM 1243 N SER A 80 0.980 -15.459 4.186 1.00 5.13 N ATOM 1244 CA SER A 80 0.233 -15.948 5.321 1.00 42.12 C ATOM 1245 C SER A 80 0.067 -14.834 6.343 1.00 72.24 C ATOM 1246 O SER A 80 0.952 -13.980 6.486 1.00 31.32 O ATOM 1247 CB SER A 80 0.963 -17.134 5.958 1.00 65.53 C ATOM 1248 OG SER A 80 1.167 -18.178 5.015 1.00 20.04 O ATOM 0 H SER A 80 1.965 -15.725 4.184 1.00 5.13 H new ATOM 0 HA SER A 80 -0.750 -16.278 4.985 1.00 42.12 H new ATOM 0 HB2 SER A 80 1.924 -16.804 6.353 1.00 65.53 H new ATOM 0 HB3 SER A 80 0.384 -17.510 6.802 1.00 65.53 H new ATOM 0 HG SER A 80 1.636 -18.922 5.447 1.00 20.04 H new ATOM 1254 N ARG A 81 -1.061 -14.819 7.037 1.00 24.44 N ATOM 1255 CA ARG A 81 -1.283 -13.819 8.064 1.00 62.51 C ATOM 1256 C ARG A 81 -0.266 -14.007 9.185 1.00 43.20 C ATOM 1257 O ARG A 81 0.255 -15.105 9.380 1.00 10.44 O ATOM 1258 CB ARG A 81 -2.715 -13.877 8.603 1.00 54.11 C ATOM 1259 CG ARG A 81 -3.027 -15.085 9.464 1.00 73.34 C ATOM 1260 CD ARG A 81 -4.476 -15.066 9.926 1.00 24.34 C ATOM 1261 NE ARG A 81 -4.843 -13.792 10.562 1.00 2.31 N ATOM 1262 CZ ARG A 81 -6.022 -13.549 11.135 1.00 22.01 C ATOM 1263 NH1 ARG A 81 -6.938 -14.500 11.203 1.00 22.23 N ATOM 1264 NH2 ARG A 81 -6.275 -12.354 11.646 1.00 1.43 N ATOM 0 H ARG A 81 -1.827 -15.480 6.909 1.00 24.44 H new ATOM 0 HA ARG A 81 -1.149 -12.831 7.624 1.00 62.51 H new ATOM 0 HB2 ARG A 81 -2.905 -12.976 9.186 1.00 54.11 H new ATOM 0 HB3 ARG A 81 -3.405 -13.863 7.760 1.00 54.11 H new ATOM 0 HG2 ARG A 81 -2.833 -15.998 8.900 1.00 73.34 H new ATOM 0 HG3 ARG A 81 -2.366 -15.099 10.330 1.00 73.34 H new ATOM 0 HD2 ARG A 81 -5.129 -15.245 9.072 1.00 24.34 H new ATOM 0 HD3 ARG A 81 -4.641 -15.882 10.630 1.00 24.34 H new ATOM 0 HE ARG A 81 -4.149 -13.044 10.565 1.00 2.31 H new ATOM 0 HH11 ARG A 81 -6.744 -15.424 10.816 1.00 22.23 H new ATOM 0 HH12 ARG A 81 -7.839 -14.310 11.642 1.00 22.23 H new ATOM 0 HH21 ARG A 81 -5.568 -11.620 11.601 1.00 1.43 H new ATOM 0 HH22 ARG A 81 -7.177 -12.167 12.085 1.00 1.43 H new ATOM 1278 N GLY A 82 0.025 -12.947 9.904 1.00 31.12 N ATOM 1279 CA GLY A 82 1.043 -13.017 10.927 1.00 35.23 C ATOM 1280 C GLY A 82 2.400 -12.620 10.379 1.00 22.15 C ATOM 1281 O GLY A 82 3.306 -12.266 11.129 1.00 60.41 O ATOM 0 H GLY A 82 -0.423 -12.036 9.802 1.00 31.12 H new ATOM 0 HA2 GLY A 82 0.776 -12.360 11.755 1.00 35.23 H new ATOM 0 HA3 GLY A 82 1.092 -14.030 11.327 1.00 35.23 H new ATOM 1285 N GLN A 83 2.528 -12.678 9.057 1.00 43.00 N ATOM 1286 CA GLN A 83 3.760 -12.301 8.368 1.00 43.53 C ATOM 1287 C GLN A 83 3.660 -10.866 7.872 1.00 51.12 C ATOM 1288 O GLN A 83 4.504 -10.396 7.107 1.00 51.02 O ATOM 1289 CB GLN A 83 4.006 -13.240 7.184 1.00 42.51 C ATOM 1290 CG GLN A 83 4.179 -14.693 7.583 1.00 34.31 C ATOM 1291 CD GLN A 83 5.469 -14.937 8.333 1.00 50.42 C ATOM 1292 OE1 GLN A 83 5.525 -14.813 9.556 1.00 34.43 O ATOM 1293 NE2 GLN A 83 6.508 -15.300 7.609 1.00 31.14 N ATOM 0 H GLN A 83 1.783 -12.987 8.433 1.00 43.00 H new ATOM 0 HA GLN A 83 4.593 -12.381 9.067 1.00 43.53 H new ATOM 0 HB2 GLN A 83 3.170 -13.160 6.489 1.00 42.51 H new ATOM 0 HB3 GLN A 83 4.897 -12.911 6.650 1.00 42.51 H new ATOM 0 HG2 GLN A 83 3.337 -14.999 8.205 1.00 34.31 H new ATOM 0 HG3 GLN A 83 4.158 -15.317 6.689 1.00 34.31 H new ATOM 0 HE21 GLN A 83 6.418 -15.391 6.597 1.00 31.14 H new ATOM 0 HE22 GLN A 83 7.403 -15.490 8.060 1.00 31.14 H new ATOM 1302 N MET A 84 2.628 -10.182 8.317 1.00 53.10 N ATOM 1303 CA MET A 84 2.376 -8.814 7.919 1.00 32.23 C ATOM 1304 C MET A 84 1.816 -8.037 9.103 1.00 60.15 C ATOM 1305 O MET A 84 1.323 -8.640 10.064 1.00 15.33 O ATOM 1306 CB MET A 84 1.393 -8.790 6.736 1.00 42.34 C ATOM 1307 CG MET A 84 1.097 -7.404 6.181 1.00 34.01 C ATOM 1308 SD MET A 84 2.586 -6.505 5.685 1.00 14.42 S ATOM 1309 CE MET A 84 3.275 -7.624 4.462 1.00 73.44 C ATOM 0 H MET A 84 1.938 -10.560 8.967 1.00 53.10 H new ATOM 0 HA MET A 84 3.307 -8.345 7.602 1.00 32.23 H new ATOM 0 HB2 MET A 84 1.796 -9.409 5.934 1.00 42.34 H new ATOM 0 HB3 MET A 84 0.455 -9.248 7.051 1.00 42.34 H new ATOM 0 HG2 MET A 84 0.433 -7.498 5.322 1.00 34.01 H new ATOM 0 HG3 MET A 84 0.564 -6.824 6.934 1.00 34.01 H new ATOM 0 HE1 MET A 84 3.914 -7.066 3.778 1.00 73.44 H new ATOM 0 HE2 MET A 84 3.863 -8.393 4.963 1.00 73.44 H new ATOM 0 HE3 MET A 84 2.466 -8.093 3.902 1.00 73.44 H new ATOM 1319 N GLN A 85 1.897 -6.713 9.039 1.00 2.30 N ATOM 1320 CA GLN A 85 1.408 -5.864 10.110 1.00 60.32 C ATOM 1321 C GLN A 85 -0.090 -6.035 10.272 1.00 41.32 C ATOM 1322 O GLN A 85 -0.821 -6.089 9.287 1.00 34.25 O ATOM 1323 CB GLN A 85 1.763 -4.401 9.837 1.00 32.02 C ATOM 1324 CG GLN A 85 3.261 -4.135 9.832 1.00 65.33 C ATOM 1325 CD GLN A 85 3.609 -2.708 9.461 1.00 3.13 C ATOM 1326 OE1 GLN A 85 2.845 -1.776 9.718 1.00 32.34 O ATOM 1327 NE2 GLN A 85 4.762 -2.528 8.849 1.00 45.21 N ATOM 0 H GLN A 85 2.299 -6.206 8.251 1.00 2.30 H new ATOM 0 HA GLN A 85 1.890 -6.161 11.041 1.00 60.32 H new ATOM 0 HB2 GLN A 85 1.346 -4.107 8.874 1.00 32.02 H new ATOM 0 HB3 GLN A 85 1.292 -3.773 10.593 1.00 32.02 H new ATOM 0 HG2 GLN A 85 3.667 -4.357 10.819 1.00 65.33 H new ATOM 0 HG3 GLN A 85 3.743 -4.815 9.129 1.00 65.33 H new ATOM 0 HE21 GLN A 85 5.366 -3.326 8.654 1.00 45.21 H new ATOM 0 HE22 GLN A 85 5.050 -1.590 8.570 1.00 45.21 H new ATOM 1336 N LYS A 86 -0.532 -6.118 11.515 1.00 5.04 N ATOM 1337 CA LYS A 86 -1.938 -6.357 11.847 1.00 55.34 C ATOM 1338 C LYS A 86 -2.918 -5.396 11.143 1.00 62.32 C ATOM 1339 O LYS A 86 -3.894 -5.860 10.553 1.00 11.24 O ATOM 1340 CB LYS A 86 -2.136 -6.368 13.364 1.00 22.24 C ATOM 1341 CG LYS A 86 -1.452 -7.547 14.038 1.00 34.02 C ATOM 1342 CD LYS A 86 -2.172 -8.850 13.724 1.00 15.52 C ATOM 1343 CE LYS A 86 -1.274 -10.056 13.926 1.00 33.12 C ATOM 1344 NZ LYS A 86 -0.289 -10.207 12.824 1.00 13.33 N ATOM 0 H LYS A 86 0.072 -6.022 12.331 1.00 5.04 H new ATOM 0 HA LYS A 86 -2.186 -7.344 11.456 1.00 55.34 H new ATOM 0 HB2 LYS A 86 -1.748 -5.440 13.783 1.00 22.24 H new ATOM 0 HB3 LYS A 86 -3.203 -6.397 13.587 1.00 22.24 H new ATOM 0 HG2 LYS A 86 -0.416 -7.610 13.704 1.00 34.02 H new ATOM 0 HG3 LYS A 86 -1.430 -7.391 15.117 1.00 34.02 H new ATOM 0 HD2 LYS A 86 -3.051 -8.941 14.361 1.00 15.52 H new ATOM 0 HD3 LYS A 86 -2.526 -8.830 12.693 1.00 15.52 H new ATOM 0 HE2 LYS A 86 -0.745 -9.960 14.874 1.00 33.12 H new ATOM 0 HE3 LYS A 86 -1.885 -10.956 13.992 1.00 33.12 H new ATOM 0 HZ1 LYS A 86 0.517 -10.775 13.154 1.00 13.33 H new ATOM 0 HZ2 LYS A 86 -0.741 -10.683 12.017 1.00 13.33 H new ATOM 0 HZ3 LYS A 86 0.047 -9.268 12.528 1.00 13.33 H new ATOM 1358 N PRO A 87 -2.686 -4.048 11.180 1.00 60.23 N ATOM 1359 CA PRO A 87 -3.560 -3.089 10.481 1.00 20.40 C ATOM 1360 C PRO A 87 -3.727 -3.443 8.998 1.00 62.41 C ATOM 1361 O PRO A 87 -4.821 -3.331 8.437 1.00 10.21 O ATOM 1362 CB PRO A 87 -2.815 -1.760 10.626 1.00 12.05 C ATOM 1363 CG PRO A 87 -2.014 -1.914 11.870 1.00 43.32 C ATOM 1364 CD PRO A 87 -1.603 -3.358 11.920 1.00 3.13 C ATOM 0 HA PRO A 87 -4.569 -3.075 10.894 1.00 20.40 H new ATOM 0 HB2 PRO A 87 -2.176 -1.567 9.764 1.00 12.05 H new ATOM 0 HB3 PRO A 87 -3.509 -0.923 10.702 1.00 12.05 H new ATOM 0 HG2 PRO A 87 -1.142 -1.260 11.856 1.00 43.32 H new ATOM 0 HG3 PRO A 87 -2.601 -1.644 12.748 1.00 43.32 H new ATOM 0 HD2 PRO A 87 -0.632 -3.516 11.451 1.00 3.13 H new ATOM 0 HD3 PRO A 87 -1.524 -3.718 12.946 1.00 3.13 H new ATOM 1372 N PHE A 88 -2.640 -3.895 8.383 1.00 21.12 N ATOM 1373 CA PHE A 88 -2.642 -4.269 6.974 1.00 21.54 C ATOM 1374 C PHE A 88 -3.285 -5.648 6.802 1.00 3.24 C ATOM 1375 O PHE A 88 -4.056 -5.885 5.865 1.00 43.31 O ATOM 1376 CB PHE A 88 -1.197 -4.285 6.441 1.00 2.23 C ATOM 1377 CG PHE A 88 -1.078 -4.423 4.942 1.00 75.30 C ATOM 1378 CD1 PHE A 88 -1.245 -5.654 4.324 1.00 13.42 C ATOM 1379 CD2 PHE A 88 -0.791 -3.321 4.154 1.00 72.33 C ATOM 1380 CE1 PHE A 88 -1.130 -5.781 2.956 1.00 40.22 C ATOM 1381 CE2 PHE A 88 -0.675 -3.443 2.783 1.00 51.54 C ATOM 1382 CZ PHE A 88 -0.846 -4.676 2.184 1.00 52.55 C ATOM 0 H PHE A 88 -1.738 -4.012 8.844 1.00 21.12 H new ATOM 0 HA PHE A 88 -3.221 -3.540 6.408 1.00 21.54 H new ATOM 0 HB2 PHE A 88 -0.701 -3.364 6.748 1.00 2.23 H new ATOM 0 HB3 PHE A 88 -0.660 -5.108 6.912 1.00 2.23 H new ATOM 0 HD1 PHE A 88 -1.468 -6.525 4.923 1.00 13.42 H new ATOM 0 HD2 PHE A 88 -0.656 -2.355 4.617 1.00 72.33 H new ATOM 0 HE1 PHE A 88 -1.262 -6.746 2.490 1.00 40.22 H new ATOM 0 HE2 PHE A 88 -0.451 -2.575 2.180 1.00 51.54 H new ATOM 0 HZ PHE A 88 -0.757 -4.773 1.112 1.00 52.55 H new ATOM 1392 N GLU A 89 -2.965 -6.538 7.726 1.00 61.21 N ATOM 1393 CA GLU A 89 -3.452 -7.908 7.717 1.00 10.41 C ATOM 1394 C GLU A 89 -4.977 -7.960 7.789 1.00 62.33 C ATOM 1395 O GLU A 89 -5.628 -8.549 6.921 1.00 44.34 O ATOM 1396 CB GLU A 89 -2.856 -8.664 8.900 1.00 21.22 C ATOM 1397 CG GLU A 89 -3.189 -10.138 8.927 1.00 23.44 C ATOM 1398 CD GLU A 89 -2.777 -10.788 10.220 1.00 61.52 C ATOM 1399 OE1 GLU A 89 -1.568 -10.828 10.514 1.00 4.41 O ATOM 1400 OE2 GLU A 89 -3.661 -11.270 10.952 1.00 12.30 O ATOM 0 H GLU A 89 -2.352 -6.327 8.514 1.00 61.21 H new ATOM 0 HA GLU A 89 -3.144 -8.374 6.781 1.00 10.41 H new ATOM 0 HB2 GLU A 89 -1.772 -8.548 8.881 1.00 21.22 H new ATOM 0 HB3 GLU A 89 -3.210 -8.206 9.824 1.00 21.22 H new ATOM 0 HG2 GLU A 89 -4.261 -10.270 8.781 1.00 23.44 H new ATOM 0 HG3 GLU A 89 -2.691 -10.637 8.096 1.00 23.44 H new ATOM 1407 N ASP A 90 -5.541 -7.330 8.819 1.00 74.31 N ATOM 1408 CA ASP A 90 -6.991 -7.336 9.023 1.00 65.03 C ATOM 1409 C ASP A 90 -7.710 -6.729 7.842 1.00 54.10 C ATOM 1410 O ASP A 90 -8.779 -7.197 7.450 1.00 21.34 O ATOM 1411 CB ASP A 90 -7.383 -6.594 10.303 1.00 1.22 C ATOM 1412 CG ASP A 90 -6.946 -7.310 11.561 1.00 31.32 C ATOM 1413 OD1 ASP A 90 -7.120 -8.550 11.643 1.00 14.52 O ATOM 1414 OD2 ASP A 90 -6.442 -6.637 12.483 1.00 70.13 O ATOM 0 H ASP A 90 -5.018 -6.810 9.524 1.00 74.31 H new ATOM 0 HA ASP A 90 -7.293 -8.379 9.123 1.00 65.03 H new ATOM 0 HB2 ASP A 90 -6.942 -5.597 10.288 1.00 1.22 H new ATOM 0 HB3 ASP A 90 -8.465 -6.464 10.323 1.00 1.22 H new ATOM 1419 N ALA A 91 -7.117 -5.695 7.265 1.00 33.41 N ATOM 1420 CA ALA A 91 -7.699 -5.031 6.112 1.00 14.22 C ATOM 1421 C ALA A 91 -7.713 -5.964 4.908 1.00 61.24 C ATOM 1422 O ALA A 91 -8.658 -5.966 4.126 1.00 63.51 O ATOM 1423 CB ALA A 91 -6.938 -3.755 5.793 1.00 61.53 C ATOM 0 H ALA A 91 -6.231 -5.298 7.578 1.00 33.41 H new ATOM 0 HA ALA A 91 -8.729 -4.766 6.350 1.00 14.22 H new ATOM 0 HB1 ALA A 91 -7.388 -3.270 4.926 1.00 61.53 H new ATOM 0 HB2 ALA A 91 -6.982 -3.082 6.649 1.00 61.53 H new ATOM 0 HB3 ALA A 91 -5.898 -3.997 5.575 1.00 61.53 H new ATOM 1429 N SER A 92 -6.671 -6.772 4.785 1.00 45.12 N ATOM 1430 CA SER A 92 -6.558 -7.721 3.691 1.00 34.31 C ATOM 1431 C SER A 92 -7.665 -8.774 3.763 1.00 45.23 C ATOM 1432 O SER A 92 -8.297 -9.098 2.756 1.00 40.42 O ATOM 1433 CB SER A 92 -5.188 -8.395 3.719 1.00 50.44 C ATOM 1434 OG SER A 92 -4.148 -7.442 3.555 1.00 1.42 O ATOM 0 H SER A 92 -5.886 -6.788 5.436 1.00 45.12 H new ATOM 0 HA SER A 92 -6.667 -7.175 2.754 1.00 34.31 H new ATOM 0 HB2 SER A 92 -5.057 -8.922 4.664 1.00 50.44 H new ATOM 0 HB3 SER A 92 -5.130 -9.142 2.927 1.00 50.44 H new ATOM 0 HG SER A 92 -3.763 -7.529 2.658 1.00 1.42 H new ATOM 1440 N PHE A 93 -7.914 -9.285 4.958 1.00 12.13 N ATOM 1441 CA PHE A 93 -8.941 -10.302 5.148 1.00 50.12 C ATOM 1442 C PHE A 93 -10.338 -9.688 5.182 1.00 61.41 C ATOM 1443 O PHE A 93 -11.345 -10.401 5.167 1.00 41.32 O ATOM 1444 CB PHE A 93 -8.667 -11.121 6.407 1.00 72.01 C ATOM 1445 CG PHE A 93 -7.468 -12.016 6.275 1.00 53.55 C ATOM 1446 CD1 PHE A 93 -7.591 -13.277 5.716 1.00 52.24 C ATOM 1447 CD2 PHE A 93 -6.221 -11.596 6.699 1.00 43.32 C ATOM 1448 CE1 PHE A 93 -6.492 -14.101 5.584 1.00 34.20 C ATOM 1449 CE2 PHE A 93 -5.119 -12.415 6.570 1.00 2.51 C ATOM 1450 CZ PHE A 93 -5.254 -13.670 6.011 1.00 62.34 C ATOM 0 H PHE A 93 -7.422 -9.015 5.810 1.00 12.13 H new ATOM 0 HA PHE A 93 -8.904 -10.975 4.292 1.00 50.12 H new ATOM 0 HB2 PHE A 93 -8.518 -10.445 7.249 1.00 72.01 H new ATOM 0 HB3 PHE A 93 -9.543 -11.728 6.637 1.00 72.01 H new ATOM 0 HD1 PHE A 93 -8.558 -13.620 5.379 1.00 52.24 H new ATOM 0 HD2 PHE A 93 -6.109 -10.615 7.136 1.00 43.32 H new ATOM 0 HE1 PHE A 93 -6.602 -15.082 5.147 1.00 34.20 H new ATOM 0 HE2 PHE A 93 -4.151 -12.075 6.906 1.00 2.51 H new ATOM 0 HZ PHE A 93 -4.392 -14.313 5.908 1.00 62.34 H new ATOM 1460 N ALA A 94 -10.395 -8.366 5.237 1.00 24.42 N ATOM 1461 CA ALA A 94 -11.660 -7.658 5.184 1.00 5.30 C ATOM 1462 C ALA A 94 -12.051 -7.438 3.734 1.00 42.34 C ATOM 1463 O ALA A 94 -13.233 -7.326 3.396 1.00 44.53 O ATOM 1464 CB ALA A 94 -11.565 -6.328 5.920 1.00 53.04 C ATOM 0 H ALA A 94 -9.577 -7.763 5.319 1.00 24.42 H new ATOM 0 HA ALA A 94 -12.425 -8.258 5.677 1.00 5.30 H new ATOM 0 HB1 ALA A 94 -12.525 -5.814 5.868 1.00 53.04 H new ATOM 0 HB2 ALA A 94 -11.306 -6.507 6.963 1.00 53.04 H new ATOM 0 HB3 ALA A 94 -10.796 -5.710 5.456 1.00 53.04 H new ATOM 1470 N LEU A 95 -11.042 -7.379 2.878 1.00 55.25 N ATOM 1471 CA LEU A 95 -11.248 -7.219 1.456 1.00 31.11 C ATOM 1472 C LEU A 95 -11.456 -8.574 0.808 1.00 43.01 C ATOM 1473 O LEU A 95 -11.446 -9.606 1.481 1.00 3.25 O ATOM 1474 CB LEU A 95 -10.041 -6.537 0.807 1.00 13.11 C ATOM 1475 CG LEU A 95 -9.711 -5.129 1.290 1.00 45.44 C ATOM 1476 CD1 LEU A 95 -8.470 -4.619 0.580 1.00 74.51 C ATOM 1477 CD2 LEU A 95 -10.885 -4.191 1.056 1.00 1.34 C ATOM 0 H LEU A 95 -10.062 -7.441 3.154 1.00 55.25 H new ATOM 0 HA LEU A 95 -12.131 -6.597 1.309 1.00 31.11 H new ATOM 0 HB2 LEU A 95 -9.166 -7.167 0.969 1.00 13.11 H new ATOM 0 HB3 LEU A 95 -10.210 -6.497 -0.269 1.00 13.11 H new ATOM 0 HG LEU A 95 -9.516 -5.162 2.362 1.00 45.44 H new ATOM 0 HD11 LEU A 95 -8.239 -3.613 0.929 1.00 74.51 H new ATOM 0 HD12 LEU A 95 -7.630 -5.280 0.795 1.00 74.51 H new ATOM 0 HD13 LEU A 95 -8.649 -4.598 -0.495 1.00 74.51 H new ATOM 0 HD21 LEU A 95 -10.628 -3.192 1.408 1.00 1.34 H new ATOM 0 HD22 LEU A 95 -11.114 -4.153 -0.009 1.00 1.34 H new ATOM 0 HD23 LEU A 95 -11.756 -4.555 1.601 1.00 1.34 H new ATOM 1489 N ARG A 96 -11.620 -8.568 -0.493 1.00 4.15 N ATOM 1490 CA ARG A 96 -11.812 -9.783 -1.243 1.00 33.32 C ATOM 1491 C ARG A 96 -11.110 -9.678 -2.581 1.00 12.51 C ATOM 1492 O ARG A 96 -10.570 -8.623 -2.924 1.00 14.04 O ATOM 1493 CB ARG A 96 -13.304 -10.061 -1.440 1.00 10.40 C ATOM 1494 CG ARG A 96 -14.052 -8.946 -2.153 1.00 12.44 C ATOM 1495 CD ARG A 96 -15.545 -9.203 -2.160 1.00 3.41 C ATOM 1496 NE ARG A 96 -16.096 -9.245 -0.805 1.00 71.12 N ATOM 1497 CZ ARG A 96 -17.396 -9.276 -0.523 1.00 14.32 C ATOM 1498 NH1 ARG A 96 -18.293 -9.277 -1.502 1.00 44.15 N ATOM 1499 NH2 ARG A 96 -17.798 -9.308 0.741 1.00 42.24 N ATOM 0 H ARG A 96 -11.624 -7.720 -1.060 1.00 4.15 H new ATOM 0 HA ARG A 96 -11.382 -10.614 -0.684 1.00 33.32 H new ATOM 0 HB2 ARG A 96 -13.419 -10.984 -2.009 1.00 10.40 H new ATOM 0 HB3 ARG A 96 -13.764 -10.228 -0.466 1.00 10.40 H new ATOM 0 HG2 ARG A 96 -13.847 -7.995 -1.662 1.00 12.44 H new ATOM 0 HG3 ARG A 96 -13.691 -8.860 -3.178 1.00 12.44 H new ATOM 0 HD2 ARG A 96 -16.046 -8.422 -2.732 1.00 3.41 H new ATOM 0 HD3 ARG A 96 -15.749 -10.147 -2.665 1.00 3.41 H new ATOM 0 HE ARG A 96 -15.440 -9.251 -0.024 1.00 71.12 H new ATOM 0 HH11 ARG A 96 -17.986 -9.254 -2.475 1.00 44.15 H new ATOM 0 HH12 ARG A 96 -19.289 -9.301 -1.281 1.00 44.15 H new ATOM 0 HH21 ARG A 96 -17.111 -9.309 1.495 1.00 42.24 H new ATOM 0 HH22 ARG A 96 -18.794 -9.332 0.959 1.00 42.24 H new ATOM 1513 N THR A 97 -11.111 -10.764 -3.320 1.00 23.44 N ATOM 1514 CA THR A 97 -10.486 -10.813 -4.622 1.00 23.25 C ATOM 1515 C THR A 97 -11.135 -9.806 -5.582 1.00 12.22 C ATOM 1516 O THR A 97 -12.303 -9.949 -5.953 1.00 73.44 O ATOM 1517 CB THR A 97 -10.604 -12.229 -5.206 1.00 14.35 C ATOM 1518 OG1 THR A 97 -10.124 -13.187 -4.245 1.00 21.23 O ATOM 1519 CG2 THR A 97 -9.810 -12.355 -6.490 1.00 15.42 C ATOM 0 H THR A 97 -11.547 -11.641 -3.034 1.00 23.44 H new ATOM 0 HA THR A 97 -9.434 -10.551 -4.504 1.00 23.25 H new ATOM 0 HB THR A 97 -11.653 -12.423 -5.431 1.00 14.35 H new ATOM 0 HG1 THR A 97 -9.274 -12.876 -3.870 1.00 21.23 H new ATOM 0 HG21 THR A 97 -9.911 -13.367 -6.882 1.00 15.42 H new ATOM 0 HG22 THR A 97 -10.188 -11.642 -7.223 1.00 15.42 H new ATOM 0 HG23 THR A 97 -8.759 -12.146 -6.290 1.00 15.42 H new ATOM 1527 N GLY A 98 -10.380 -8.788 -5.961 1.00 65.35 N ATOM 1528 CA GLY A 98 -10.885 -7.784 -6.870 1.00 34.51 C ATOM 1529 C GLY A 98 -11.389 -6.546 -6.155 1.00 43.31 C ATOM 1530 O GLY A 98 -12.167 -5.777 -6.715 1.00 42.12 O ATOM 0 H GLY A 98 -9.419 -8.639 -5.652 1.00 65.35 H new ATOM 0 HA2 GLY A 98 -10.096 -7.500 -7.566 1.00 34.51 H new ATOM 0 HA3 GLY A 98 -11.694 -8.211 -7.463 1.00 34.51 H new ATOM 1534 N GLU A 99 -10.951 -6.345 -4.922 1.00 73.30 N ATOM 1535 CA GLU A 99 -11.378 -5.186 -4.158 1.00 52.34 C ATOM 1536 C GLU A 99 -10.176 -4.429 -3.587 1.00 14.24 C ATOM 1537 O GLU A 99 -9.096 -5.003 -3.391 1.00 31.34 O ATOM 1538 CB GLU A 99 -12.346 -5.601 -3.039 1.00 65.45 C ATOM 1539 CG GLU A 99 -12.976 -4.429 -2.292 1.00 74.53 C ATOM 1540 CD GLU A 99 -13.658 -3.441 -3.220 1.00 13.03 C ATOM 1541 OE1 GLU A 99 -14.857 -3.613 -3.502 1.00 35.40 O ATOM 1542 OE2 GLU A 99 -12.992 -2.479 -3.673 1.00 72.24 O ATOM 0 H GLU A 99 -10.305 -6.965 -4.433 1.00 73.30 H new ATOM 0 HA GLU A 99 -11.905 -4.512 -4.833 1.00 52.34 H new ATOM 0 HB2 GLU A 99 -13.139 -6.213 -3.468 1.00 65.45 H new ATOM 0 HB3 GLU A 99 -11.811 -6.228 -2.325 1.00 65.45 H new ATOM 0 HG2 GLU A 99 -13.704 -4.809 -1.575 1.00 74.53 H new ATOM 0 HG3 GLU A 99 -12.206 -3.912 -1.720 1.00 74.53 H new ATOM 1549 N MET A 100 -10.381 -3.148 -3.324 1.00 44.24 N ATOM 1550 CA MET A 100 -9.348 -2.269 -2.814 1.00 32.01 C ATOM 1551 C MET A 100 -9.861 -1.515 -1.588 1.00 12.43 C ATOM 1552 O MET A 100 -11.042 -1.162 -1.519 1.00 34.04 O ATOM 1553 CB MET A 100 -8.947 -1.273 -3.905 1.00 32.23 C ATOM 1554 CG MET A 100 -7.869 -0.282 -3.497 1.00 61.41 C ATOM 1555 SD MET A 100 -7.583 0.980 -4.756 1.00 4.24 S ATOM 1556 CE MET A 100 -7.140 -0.035 -6.159 1.00 34.41 C ATOM 0 H MET A 100 -11.281 -2.687 -3.461 1.00 44.24 H new ATOM 0 HA MET A 100 -8.480 -2.862 -2.525 1.00 32.01 H new ATOM 0 HB2 MET A 100 -8.599 -1.829 -4.775 1.00 32.23 H new ATOM 0 HB3 MET A 100 -9.833 -0.718 -4.215 1.00 32.23 H new ATOM 0 HG2 MET A 100 -8.157 0.200 -2.562 1.00 61.41 H new ATOM 0 HG3 MET A 100 -6.939 -0.818 -3.306 1.00 61.41 H new ATOM 0 HE1 MET A 100 -6.387 0.479 -6.757 1.00 34.41 H new ATOM 0 HE2 MET A 100 -6.738 -0.985 -5.808 1.00 34.41 H new ATOM 0 HE3 MET A 100 -8.024 -0.218 -6.769 1.00 34.41 H new ATOM 1566 N SER A 101 -8.987 -1.284 -0.628 1.00 14.52 N ATOM 1567 CA SER A 101 -9.346 -0.557 0.577 1.00 34.32 C ATOM 1568 C SER A 101 -9.085 0.933 0.397 1.00 55.44 C ATOM 1569 O SER A 101 -8.763 1.394 -0.703 1.00 40.01 O ATOM 1570 CB SER A 101 -8.532 -1.081 1.765 1.00 24.20 C ATOM 1571 OG SER A 101 -7.137 -0.988 1.509 1.00 75.30 O ATOM 0 H SER A 101 -8.015 -1.592 -0.659 1.00 14.52 H new ATOM 0 HA SER A 101 -10.408 -0.709 0.770 1.00 34.32 H new ATOM 0 HB2 SER A 101 -8.780 -0.510 2.660 1.00 24.20 H new ATOM 0 HB3 SER A 101 -8.800 -2.119 1.964 1.00 24.20 H new ATOM 0 HG SER A 101 -6.639 -1.327 2.282 1.00 75.30 H new ATOM 1577 N GLY A 102 -9.241 1.682 1.470 1.00 52.01 N ATOM 1578 CA GLY A 102 -8.930 3.084 1.437 1.00 53.13 C ATOM 1579 C GLY A 102 -7.523 3.329 1.941 1.00 33.51 C ATOM 1580 O GLY A 102 -6.692 2.411 1.918 1.00 55.25 O ATOM 0 H GLY A 102 -9.580 1.339 2.369 1.00 52.01 H new ATOM 0 HA2 GLY A 102 -9.028 3.460 0.419 1.00 53.13 H new ATOM 0 HA3 GLY A 102 -9.643 3.635 2.050 1.00 53.13 H new ATOM 1584 N PRO A 103 -7.217 4.543 2.407 1.00 53.02 N ATOM 1585 CA PRO A 103 -5.894 4.866 2.932 1.00 20.13 C ATOM 1586 C PRO A 103 -5.627 4.169 4.269 1.00 73.22 C ATOM 1587 O PRO A 103 -6.181 4.548 5.303 1.00 44.35 O ATOM 1588 CB PRO A 103 -5.937 6.387 3.113 1.00 53.22 C ATOM 1589 CG PRO A 103 -7.384 6.714 3.269 1.00 12.33 C ATOM 1590 CD PRO A 103 -8.135 5.699 2.452 1.00 20.23 C ATOM 0 HA PRO A 103 -5.095 4.534 2.269 1.00 20.13 H new ATOM 0 HB2 PRO A 103 -5.365 6.697 3.988 1.00 53.22 H new ATOM 0 HB3 PRO A 103 -5.507 6.900 2.253 1.00 53.22 H new ATOM 0 HG2 PRO A 103 -7.682 6.668 4.316 1.00 12.33 H new ATOM 0 HG3 PRO A 103 -7.594 7.726 2.922 1.00 12.33 H new ATOM 0 HD2 PRO A 103 -9.087 5.437 2.914 1.00 20.23 H new ATOM 0 HD3 PRO A 103 -8.358 6.074 1.453 1.00 20.23 H new ATOM 1598 N VAL A 104 -4.801 3.141 4.236 1.00 53.54 N ATOM 1599 CA VAL A 104 -4.462 2.396 5.436 1.00 1.13 C ATOM 1600 C VAL A 104 -3.245 3.015 6.111 1.00 51.12 C ATOM 1601 O VAL A 104 -2.127 2.952 5.584 1.00 43.31 O ATOM 1602 CB VAL A 104 -4.178 0.906 5.119 1.00 62.52 C ATOM 1603 CG1 VAL A 104 -3.849 0.131 6.389 1.00 55.32 C ATOM 1604 CG2 VAL A 104 -5.365 0.279 4.402 1.00 21.44 C ATOM 0 H VAL A 104 -4.350 2.800 3.387 1.00 53.54 H new ATOM 0 HA VAL A 104 -5.319 2.444 6.108 1.00 1.13 H new ATOM 0 HB VAL A 104 -3.310 0.858 4.461 1.00 62.52 H new ATOM 0 HG11 VAL A 104 -3.654 -0.912 6.139 1.00 55.32 H new ATOM 0 HG12 VAL A 104 -2.966 0.562 6.860 1.00 55.32 H new ATOM 0 HG13 VAL A 104 -4.692 0.187 7.078 1.00 55.32 H new ATOM 0 HG21 VAL A 104 -5.149 -0.767 4.187 1.00 21.44 H new ATOM 0 HG22 VAL A 104 -6.249 0.344 5.036 1.00 21.44 H new ATOM 0 HG23 VAL A 104 -5.549 0.811 3.468 1.00 21.44 H new ATOM 1614 N PHE A 105 -3.468 3.623 7.261 1.00 62.14 N ATOM 1615 CA PHE A 105 -2.405 4.279 8.001 1.00 63.31 C ATOM 1616 C PHE A 105 -1.625 3.279 8.849 1.00 10.31 C ATOM 1617 O PHE A 105 -2.203 2.554 9.666 1.00 34.02 O ATOM 1618 CB PHE A 105 -2.977 5.382 8.900 1.00 62.10 C ATOM 1619 CG PHE A 105 -3.671 6.492 8.155 1.00 73.42 C ATOM 1620 CD1 PHE A 105 -2.965 7.603 7.726 1.00 23.12 C ATOM 1621 CD2 PHE A 105 -5.029 6.426 7.891 1.00 31.41 C ATOM 1622 CE1 PHE A 105 -3.600 8.625 7.048 1.00 72.23 C ATOM 1623 CE2 PHE A 105 -5.669 7.445 7.215 1.00 25.03 C ATOM 1624 CZ PHE A 105 -4.954 8.545 6.793 1.00 63.14 C ATOM 0 H PHE A 105 -4.384 3.676 7.706 1.00 62.14 H new ATOM 0 HA PHE A 105 -1.724 4.724 7.276 1.00 63.31 H new ATOM 0 HB2 PHE A 105 -3.682 4.934 9.600 1.00 62.10 H new ATOM 0 HB3 PHE A 105 -2.167 5.809 9.492 1.00 62.10 H new ATOM 0 HD1 PHE A 105 -1.905 7.671 7.924 1.00 23.12 H new ATOM 0 HD2 PHE A 105 -5.594 5.566 8.218 1.00 31.41 H new ATOM 0 HE1 PHE A 105 -3.038 9.486 6.718 1.00 72.23 H new ATOM 0 HE2 PHE A 105 -6.729 7.380 7.017 1.00 25.03 H new ATOM 0 HZ PHE A 105 -5.453 9.343 6.263 1.00 63.14 H new ATOM 1634 N THR A 106 -0.318 3.233 8.640 1.00 3.54 N ATOM 1635 CA THR A 106 0.564 2.371 9.413 1.00 12.54 C ATOM 1636 C THR A 106 1.844 3.123 9.752 1.00 75.14 C ATOM 1637 O THR A 106 2.078 4.226 9.242 1.00 70.12 O ATOM 1638 CB THR A 106 0.938 1.080 8.646 1.00 13.25 C ATOM 1639 OG1 THR A 106 1.568 1.418 7.410 1.00 30.01 O ATOM 1640 CG2 THR A 106 -0.286 0.216 8.375 1.00 23.11 C ATOM 0 H THR A 106 0.160 3.790 7.932 1.00 3.54 H new ATOM 0 HA THR A 106 0.028 2.087 10.319 1.00 12.54 H new ATOM 0 HB THR A 106 1.625 0.508 9.269 1.00 13.25 H new ATOM 0 HG1 THR A 106 1.254 2.298 7.113 1.00 30.01 H new ATOM 0 HG21 THR A 106 0.015 -0.682 7.835 1.00 23.11 H new ATOM 0 HG22 THR A 106 -0.748 -0.067 9.321 1.00 23.11 H new ATOM 0 HG23 THR A 106 -1.002 0.778 7.775 1.00 23.11 H new ATOM 1648 N ASP A 107 2.678 2.530 10.586 1.00 71.23 N ATOM 1649 CA ASP A 107 3.941 3.155 10.981 1.00 72.13 C ATOM 1650 C ASP A 107 4.894 3.253 9.794 1.00 60.52 C ATOM 1651 O ASP A 107 5.784 4.105 9.762 1.00 53.51 O ATOM 1652 CB ASP A 107 4.599 2.372 12.117 1.00 5.32 C ATOM 1653 CG ASP A 107 3.760 2.362 13.375 1.00 70.05 C ATOM 1654 OD1 ASP A 107 3.843 3.332 14.160 1.00 41.31 O ATOM 1655 OD2 ASP A 107 3.007 1.385 13.586 1.00 62.21 O ATOM 0 H ASP A 107 2.510 1.616 11.007 1.00 71.23 H new ATOM 0 HA ASP A 107 3.720 4.163 11.332 1.00 72.13 H new ATOM 0 HB2 ASP A 107 4.774 1.346 11.793 1.00 5.32 H new ATOM 0 HB3 ASP A 107 5.574 2.808 12.337 1.00 5.32 H new ATOM 1660 N SER A 108 4.686 2.390 8.814 1.00 54.13 N ATOM 1661 CA SER A 108 5.515 2.358 7.621 1.00 60.41 C ATOM 1662 C SER A 108 5.037 3.386 6.589 1.00 75.11 C ATOM 1663 O SER A 108 5.678 3.583 5.551 1.00 2.40 O ATOM 1664 CB SER A 108 5.470 0.960 7.014 1.00 21.30 C ATOM 1665 OG SER A 108 5.633 -0.026 8.017 1.00 41.43 O ATOM 0 H SER A 108 3.940 1.694 8.823 1.00 54.13 H new ATOM 0 HA SER A 108 6.538 2.610 7.902 1.00 60.41 H new ATOM 0 HB2 SER A 108 4.520 0.811 6.501 1.00 21.30 H new ATOM 0 HB3 SER A 108 6.255 0.858 6.265 1.00 21.30 H new ATOM 0 HG SER A 108 6.427 -0.565 7.820 1.00 41.43 H new ATOM 1671 N GLY A 109 3.915 4.031 6.879 1.00 54.24 N ATOM 1672 CA GLY A 109 3.354 5.002 5.967 1.00 14.24 C ATOM 1673 C GLY A 109 1.927 4.658 5.606 1.00 33.31 C ATOM 1674 O GLY A 109 1.306 3.818 6.261 1.00 14.44 O ATOM 0 H GLY A 109 3.381 3.896 7.738 1.00 54.24 H new ATOM 0 HA2 GLY A 109 3.388 5.992 6.421 1.00 14.24 H new ATOM 0 HA3 GLY A 109 3.960 5.046 5.062 1.00 14.24 H new ATOM 1678 N ILE A 110 1.404 5.286 4.572 1.00 54.25 N ATOM 1679 CA ILE A 110 0.043 5.020 4.143 1.00 31.24 C ATOM 1680 C ILE A 110 0.049 3.994 3.018 1.00 53.11 C ATOM 1681 O ILE A 110 0.810 4.122 2.055 1.00 75.40 O ATOM 1682 CB ILE A 110 -0.668 6.309 3.672 1.00 54.45 C ATOM 1683 CG1 ILE A 110 -0.556 7.396 4.745 1.00 34.53 C ATOM 1684 CG2 ILE A 110 -2.134 6.020 3.360 1.00 3.02 C ATOM 1685 CD1 ILE A 110 -1.130 8.732 4.327 1.00 34.43 C ATOM 0 H ILE A 110 1.898 5.982 4.014 1.00 54.25 H new ATOM 0 HA ILE A 110 -0.507 4.628 4.998 1.00 31.24 H new ATOM 0 HB ILE A 110 -0.183 6.665 2.763 1.00 54.45 H new ATOM 0 HG12 ILE A 110 -1.068 7.058 5.646 1.00 34.53 H new ATOM 0 HG13 ILE A 110 0.494 7.528 5.006 1.00 34.53 H new ATOM 0 HG21 ILE A 110 -2.623 6.936 3.029 1.00 3.02 H new ATOM 0 HG22 ILE A 110 -2.197 5.270 2.571 1.00 3.02 H new ATOM 0 HG23 ILE A 110 -2.630 5.647 4.256 1.00 3.02 H new ATOM 0 HD11 ILE A 110 -1.013 9.449 5.140 1.00 34.43 H new ATOM 0 HD12 ILE A 110 -0.603 9.095 3.445 1.00 34.43 H new ATOM 0 HD13 ILE A 110 -2.189 8.617 4.095 1.00 34.43 H new ATOM 1697 N HIS A 111 -0.778 2.971 3.148 1.00 21.11 N ATOM 1698 CA HIS A 111 -0.826 1.905 2.159 1.00 73.12 C ATOM 1699 C HIS A 111 -2.180 1.818 1.491 1.00 0.34 C ATOM 1700 O HIS A 111 -3.212 2.058 2.116 1.00 73.12 O ATOM 1701 CB HIS A 111 -0.533 0.540 2.796 1.00 30.21 C ATOM 1702 CG HIS A 111 0.824 0.389 3.395 1.00 72.32 C ATOM 1703 ND1 HIS A 111 1.860 -0.253 2.759 1.00 43.30 N ATOM 1704 CD2 HIS A 111 1.295 0.749 4.600 1.00 31.02 C ATOM 1705 CE1 HIS A 111 2.908 -0.283 3.555 1.00 51.14 C ATOM 1706 NE2 HIS A 111 2.594 0.318 4.683 1.00 12.31 N ATOM 0 H HIS A 111 -1.425 2.855 3.928 1.00 21.11 H new ATOM 0 HA HIS A 111 -0.064 2.148 1.418 1.00 73.12 H new ATOM 0 HB2 HIS A 111 -1.276 0.353 3.571 1.00 30.21 H new ATOM 0 HB3 HIS A 111 -0.664 -0.231 2.037 1.00 30.21 H new ATOM 0 HD1 HIS A 111 1.822 -0.645 1.818 1.00 43.30 H new ATOM 0 HD2 HIS A 111 0.749 1.281 5.365 1.00 31.02 H new ATOM 0 HE1 HIS A 111 3.865 -0.726 3.322 1.00 51.14 H new ATOM 1715 N ILE A 112 -2.160 1.489 0.222 1.00 61.12 N ATOM 1716 CA ILE A 112 -3.365 1.190 -0.517 1.00 54.44 C ATOM 1717 C ILE A 112 -3.355 -0.304 -0.798 1.00 45.43 C ATOM 1718 O ILE A 112 -2.382 -0.820 -1.361 1.00 65.13 O ATOM 1719 CB ILE A 112 -3.426 1.955 -1.858 1.00 70.24 C ATOM 1720 CG1 ILE A 112 -3.136 3.441 -1.640 1.00 73.32 C ATOM 1721 CG2 ILE A 112 -4.796 1.773 -2.501 1.00 15.32 C ATOM 1722 CD1 ILE A 112 -3.053 4.242 -2.924 1.00 31.35 C ATOM 0 H ILE A 112 -1.305 1.421 -0.330 1.00 61.12 H new ATOM 0 HA ILE A 112 -4.232 1.494 0.069 1.00 54.44 H new ATOM 0 HB ILE A 112 -2.666 1.550 -2.526 1.00 70.24 H new ATOM 0 HG12 ILE A 112 -3.916 3.865 -1.008 1.00 73.32 H new ATOM 0 HG13 ILE A 112 -2.196 3.543 -1.098 1.00 73.32 H new ATOM 0 HG21 ILE A 112 -4.830 2.316 -3.446 1.00 15.32 H new ATOM 0 HG22 ILE A 112 -4.974 0.713 -2.685 1.00 15.32 H new ATOM 0 HG23 ILE A 112 -5.566 2.159 -1.833 1.00 15.32 H new ATOM 0 HD11 ILE A 112 -2.845 5.286 -2.689 1.00 31.35 H new ATOM 0 HD12 ILE A 112 -2.254 3.845 -3.550 1.00 31.35 H new ATOM 0 HD13 ILE A 112 -4.001 4.172 -3.458 1.00 31.35 H new ATOM 1734 N ILE A 113 -4.392 -1.003 -0.385 1.00 65.40 N ATOM 1735 CA ILE A 113 -4.423 -2.449 -0.531 1.00 33.44 C ATOM 1736 C ILE A 113 -5.362 -2.886 -1.643 1.00 14.25 C ATOM 1737 O ILE A 113 -6.558 -2.596 -1.609 1.00 21.13 O ATOM 1738 CB ILE A 113 -4.850 -3.142 0.785 1.00 50.24 C ATOM 1739 CG1 ILE A 113 -3.996 -2.643 1.954 1.00 2.14 C ATOM 1740 CG2 ILE A 113 -4.733 -4.659 0.651 1.00 31.43 C ATOM 1741 CD1 ILE A 113 -4.398 -3.223 3.294 1.00 54.33 C ATOM 0 H ILE A 113 -5.221 -0.600 0.052 1.00 65.40 H new ATOM 0 HA ILE A 113 -3.407 -2.751 -0.786 1.00 33.44 H new ATOM 0 HB ILE A 113 -5.892 -2.891 0.985 1.00 50.24 H new ATOM 0 HG12 ILE A 113 -2.952 -2.889 1.760 1.00 2.14 H new ATOM 0 HG13 ILE A 113 -4.064 -1.556 2.004 1.00 2.14 H new ATOM 0 HG21 ILE A 113 -5.037 -5.131 1.585 1.00 31.43 H new ATOM 0 HG22 ILE A 113 -5.379 -5.004 -0.157 1.00 31.43 H new ATOM 0 HG23 ILE A 113 -3.700 -4.926 0.429 1.00 31.43 H new ATOM 0 HD11 ILE A 113 -3.749 -2.824 4.073 1.00 54.33 H new ATOM 0 HD12 ILE A 113 -5.432 -2.955 3.511 1.00 54.33 H new ATOM 0 HD13 ILE A 113 -4.303 -4.308 3.264 1.00 54.33 H new ATOM 1753 N LEU A 114 -4.811 -3.572 -2.625 1.00 64.11 N ATOM 1754 CA LEU A 114 -5.593 -4.126 -3.712 1.00 42.30 C ATOM 1755 C LEU A 114 -5.395 -5.629 -3.760 1.00 43.55 C ATOM 1756 O LEU A 114 -4.293 -6.108 -4.021 1.00 24.11 O ATOM 1757 CB LEU A 114 -5.189 -3.507 -5.054 1.00 50.24 C ATOM 1758 CG LEU A 114 -5.844 -4.132 -6.296 1.00 21.15 C ATOM 1759 CD1 LEU A 114 -7.349 -3.910 -6.290 1.00 20.31 C ATOM 1760 CD2 LEU A 114 -5.225 -3.577 -7.567 1.00 25.21 C ATOM 0 H LEU A 114 -3.811 -3.761 -2.692 1.00 64.11 H new ATOM 0 HA LEU A 114 -6.644 -3.896 -3.535 1.00 42.30 H new ATOM 0 HB2 LEU A 114 -5.433 -2.445 -5.032 1.00 50.24 H new ATOM 0 HB3 LEU A 114 -4.107 -3.584 -5.158 1.00 50.24 H new ATOM 0 HG LEU A 114 -5.662 -5.206 -6.267 1.00 21.15 H new ATOM 0 HD11 LEU A 114 -7.787 -4.362 -7.180 1.00 20.31 H new ATOM 0 HD12 LEU A 114 -7.781 -4.368 -5.400 1.00 20.31 H new ATOM 0 HD13 LEU A 114 -7.559 -2.840 -6.286 1.00 20.31 H new ATOM 0 HD21 LEU A 114 -5.703 -4.033 -8.434 1.00 25.21 H new ATOM 0 HD22 LEU A 114 -5.368 -2.497 -7.600 1.00 25.21 H new ATOM 0 HD23 LEU A 114 -4.159 -3.802 -7.581 1.00 25.21 H new ATOM 1772 N ARG A 115 -6.443 -6.371 -3.496 1.00 73.23 N ATOM 1773 CA ARG A 115 -6.352 -7.815 -3.516 1.00 13.11 C ATOM 1774 C ARG A 115 -6.659 -8.369 -4.885 1.00 24.21 C ATOM 1775 O ARG A 115 -7.800 -8.326 -5.340 1.00 24.12 O ATOM 1776 CB ARG A 115 -7.278 -8.446 -2.492 1.00 13.21 C ATOM 1777 CG ARG A 115 -6.751 -8.408 -1.077 1.00 11.33 C ATOM 1778 CD ARG A 115 -7.580 -9.298 -0.177 1.00 4.14 C ATOM 1779 NE ARG A 115 -7.695 -10.655 -0.717 1.00 14.14 N ATOM 1780 CZ ARG A 115 -8.406 -11.633 -0.158 1.00 22.03 C ATOM 1781 NH1 ARG A 115 -9.020 -11.436 1.008 1.00 63.51 N ATOM 1782 NH2 ARG A 115 -8.493 -12.812 -0.762 1.00 62.43 N ATOM 0 H ARG A 115 -7.366 -6.003 -3.265 1.00 73.23 H new ATOM 0 HA ARG A 115 -5.323 -8.067 -3.259 1.00 13.11 H new ATOM 0 HB2 ARG A 115 -8.240 -7.934 -2.524 1.00 13.21 H new ATOM 0 HB3 ARG A 115 -7.460 -9.483 -2.773 1.00 13.21 H new ATOM 0 HG2 ARG A 115 -5.711 -8.734 -1.062 1.00 11.33 H new ATOM 0 HG3 ARG A 115 -6.770 -7.384 -0.703 1.00 11.33 H new ATOM 0 HD2 ARG A 115 -7.127 -9.337 0.814 1.00 4.14 H new ATOM 0 HD3 ARG A 115 -8.575 -8.869 -0.056 1.00 4.14 H new ATOM 0 HE ARG A 115 -7.196 -10.866 -1.581 1.00 14.14 H new ATOM 0 HH11 ARG A 115 -8.947 -10.533 1.477 1.00 63.51 H new ATOM 0 HH12 ARG A 115 -9.563 -12.188 1.432 1.00 63.51 H new ATOM 0 HH21 ARG A 115 -8.016 -12.966 -1.651 1.00 62.43 H new ATOM 0 HH22 ARG A 115 -9.036 -13.564 -0.337 1.00 62.43 H new ATOM 1796 N THR A 116 -5.646 -8.887 -5.537 1.00 1.40 N ATOM 1797 CA THR A 116 -5.815 -9.493 -6.831 1.00 25.15 C ATOM 1798 C THR A 116 -6.260 -10.946 -6.681 1.00 55.34 C ATOM 1799 O THR A 116 -6.991 -11.473 -7.521 1.00 2.33 O ATOM 1800 CB THR A 116 -4.514 -9.417 -7.646 1.00 31.02 C ATOM 1801 OG1 THR A 116 -3.398 -9.726 -6.800 1.00 24.41 O ATOM 1802 CG2 THR A 116 -4.333 -8.027 -8.240 1.00 3.31 C ATOM 0 H THR A 116 -4.688 -8.899 -5.186 1.00 1.40 H new ATOM 0 HA THR A 116 -6.587 -8.941 -7.367 1.00 25.15 H new ATOM 0 HB THR A 116 -4.570 -10.140 -8.460 1.00 31.02 H new ATOM 0 HG1 THR A 116 -2.569 -9.679 -7.321 1.00 24.41 H new ATOM 0 HG21 THR A 116 -3.406 -7.994 -8.813 1.00 3.31 H new ATOM 0 HG22 THR A 116 -5.173 -7.799 -8.896 1.00 3.31 H new ATOM 0 HG23 THR A 116 -4.289 -7.291 -7.437 1.00 3.31 H new ATOM 1810 N GLU A 117 -5.827 -11.580 -5.593 1.00 65.20 N ATOM 1811 CA GLU A 117 -6.188 -12.960 -5.303 1.00 55.21 C ATOM 1812 C GLU A 117 -6.446 -13.142 -3.808 1.00 64.31 C ATOM 1813 O GLU A 117 -5.477 -13.371 -3.056 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.093 -13.925 -5.774 1.00 14.20 C ATOM 1815 CG GLU A 117 -4.891 -13.953 -7.279 1.00 33.22 C ATOM 1816 CD GLU A 117 -3.789 -14.891 -7.691 1.00 63.44 C ATOM 1817 OE1 GLU A 117 -3.895 -16.098 -7.399 1.00 3.01 O ATOM 1818 OE2 GLU A 117 -2.803 -14.430 -8.301 1.00 61.42 O ATOM 1819 OXT GLU A 117 -7.623 -13.049 -3.391 1.00 0.00 O ATOM 0 H GLU A 117 -5.220 -11.152 -4.894 1.00 65.20 H new ATOM 0 HA GLU A 117 -7.103 -13.191 -5.848 1.00 55.21 H new ATOM 0 HB2 GLU A 117 -4.152 -13.649 -5.298 1.00 14.20 H new ATOM 0 HB3 GLU A 117 -5.340 -14.931 -5.433 1.00 14.20 H new ATOM 0 HG2 GLU A 117 -5.821 -14.254 -7.762 1.00 33.22 H new ATOM 0 HG3 GLU A 117 -4.660 -12.948 -7.631 1.00 33.22 H new TER 1826 GLU A 117