USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=38 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 -178:sc= 0.816 USER MOD Set 1.2: A 111 HIS : no HE2:sc= -0.532 K(o=0.28,f=-4.4!) USER MOD Set 2.1: A 13 HIS :FLIP no HE2:sc= -0.0912 F(o=-2.3!,f=0.59) USER MOD Set 2.2: A 69 SER OG : rot -92:sc= 0.678 USER MOD Set 3.1: A 26 SER OG : rot -88:sc= 1.3 USER MOD Set 3.2: A 29 GLN : amide:sc= -0.185 K(o=1.1,f=-2.2!) USER MOD Set 4.1: A 19 SER OG : rot 62:sc= 0.62 USER MOD Set 4.2: A 20 GLN : amide:sc= -0.0737 X(o=0.55,f=0.52) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.115 (180deg=0) USER MOD Single : A 2 SER OG : rot -104:sc= 0.684 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -164:sc= -0.0506 (180deg=-0.417) USER MOD Single : A 11 CYS SG : rot 180:sc= -0.586 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 2.29 (180deg=1.85) USER MOD Single : A 18 HIS : no HD1:sc= 0.677 K(o=0.68,f=-4.5!) USER MOD Single : A 21 SER OG : rot -104:sc= 1.18 USER MOD Single : A 25 SER OG : rot -48:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.054 (180deg=-0.301) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.065 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00473 K(o=-0.0047,f=-1.4!) USER MOD Single : A 46 TYR OH : rot -27:sc= -0.442 USER MOD Single : A 48 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.097) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 0.527 (180deg=-0.329) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0388 (180deg=-0.282) USER MOD Single : A 52 SER OG : rot 80:sc= 0.307 USER MOD Single : A 59 SER OG : rot -149:sc= 1.25 USER MOD Single : A 62 SER OG : rot -57:sc= 0.966 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00479 F(o=-1.1,f=-0.0048) USER MOD Single : A 65 SER OG : rot 21:sc= 0.538 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0204 (180deg=-0.192) USER MOD Single : A 80 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.169 F(o=-0.95,f=-0.17) USER MOD Single : A 84 MET CE :methyl 169:sc= -0.0213 (180deg=-0.281) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.0569 F(o=-0.85,f=-0.057) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0585) USER MOD Single : A 92 SER OG : rot 86:sc= -0.0163 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 170:sc= -0.518 (180deg=-0.817) USER MOD Single : A 101 SER OG : rot 180:sc= 0.124 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0279 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.320 26.927 2.551 1.00 11.23 N ATOM 2 CA GLY A 1 3.373 25.934 2.821 1.00 74.30 C ATOM 3 C GLY A 1 4.409 25.915 1.729 1.00 51.13 C ATOM 4 O GLY A 1 4.295 26.649 0.747 1.00 42.15 O ATOM 0 H1 GLY A 1 2.416 27.723 3.213 1.00 11.23 H new ATOM 0 H2 GLY A 1 2.413 27.275 1.575 1.00 11.23 H new ATOM 0 H3 GLY A 1 1.387 26.485 2.674 1.00 11.23 H new ATOM 0 HA2 GLY A 1 3.852 26.160 3.774 1.00 74.30 H new ATOM 0 HA3 GLY A 1 2.925 24.945 2.916 1.00 74.30 H new ATOM 10 N SER A 2 5.416 25.082 1.890 1.00 54.32 N ATOM 11 CA SER A 2 6.472 24.971 0.906 1.00 43.20 C ATOM 12 C SER A 2 6.157 23.854 -0.082 1.00 11.12 C ATOM 13 O SER A 2 5.595 22.818 0.295 1.00 31.22 O ATOM 14 CB SER A 2 7.815 24.711 1.601 1.00 73.23 C ATOM 15 OG SER A 2 8.881 24.628 0.667 1.00 32.34 O ATOM 0 H SER A 2 5.525 24.469 2.698 1.00 54.32 H new ATOM 0 HA SER A 2 6.541 25.909 0.355 1.00 43.20 H new ATOM 0 HB2 SER A 2 8.017 25.511 2.314 1.00 73.23 H new ATOM 0 HB3 SER A 2 7.757 23.783 2.170 1.00 73.23 H new ATOM 0 HG SER A 2 9.143 23.691 0.552 1.00 32.34 H new ATOM 21 N HIS A 3 6.495 24.074 -1.346 1.00 64.25 N ATOM 22 CA HIS A 3 6.278 23.070 -2.381 1.00 63.20 C ATOM 23 C HIS A 3 7.359 22.011 -2.301 1.00 11.01 C ATOM 24 O HIS A 3 7.094 20.819 -2.460 1.00 54.31 O ATOM 25 CB HIS A 3 6.266 23.707 -3.772 1.00 71.41 C ATOM 26 CG HIS A 3 5.097 24.613 -4.017 1.00 2.12 C ATOM 27 ND1 HIS A 3 5.184 25.988 -3.987 1.00 54.14 N ATOM 28 CD2 HIS A 3 3.808 24.331 -4.316 1.00 0.24 C ATOM 29 CE1 HIS A 3 4.004 26.509 -4.253 1.00 73.20 C ATOM 30 NE2 HIS A 3 3.153 25.526 -4.458 1.00 2.51 N ATOM 0 H HIS A 3 6.921 24.939 -1.680 1.00 64.25 H new ATOM 0 HA HIS A 3 5.305 22.608 -2.214 1.00 63.20 H new ATOM 0 HB2 HIS A 3 7.187 24.274 -3.909 1.00 71.41 H new ATOM 0 HB3 HIS A 3 6.264 22.917 -4.523 1.00 71.41 H new ATOM 0 HD2 HIS A 3 3.376 23.347 -4.423 1.00 0.24 H new ATOM 0 HE1 HIS A 3 3.774 27.563 -4.296 1.00 73.20 H new ATOM 0 HE2 HIS A 3 2.165 25.636 -4.686 1.00 2.51 H new ATOM 39 N MET A 4 8.580 22.454 -2.056 1.00 60.12 N ATOM 40 CA MET A 4 9.694 21.550 -1.876 1.00 33.20 C ATOM 41 C MET A 4 9.654 21.007 -0.470 1.00 71.13 C ATOM 42 O MET A 4 9.477 21.772 0.490 1.00 71.33 O ATOM 43 CB MET A 4 11.025 22.254 -2.138 1.00 4.34 C ATOM 44 CG MET A 4 11.202 22.711 -3.576 1.00 64.13 C ATOM 45 SD MET A 4 11.068 21.352 -4.762 1.00 44.55 S ATOM 46 CE MET A 4 12.440 20.321 -4.258 1.00 31.31 C ATOM 0 H MET A 4 8.822 23.442 -1.977 1.00 60.12 H new ATOM 0 HA MET A 4 9.611 20.733 -2.593 1.00 33.20 H new ATOM 0 HB2 MET A 4 11.104 23.119 -1.479 1.00 4.34 H new ATOM 0 HB3 MET A 4 11.840 21.579 -1.878 1.00 4.34 H new ATOM 0 HG2 MET A 4 10.451 23.466 -3.808 1.00 64.13 H new ATOM 0 HG3 MET A 4 12.176 23.187 -3.684 1.00 64.13 H new ATOM 0 HE1 MET A 4 12.667 19.605 -5.048 1.00 31.31 H new ATOM 0 HE2 MET A 4 13.314 20.945 -4.071 1.00 31.31 H new ATOM 0 HE3 MET A 4 12.176 19.784 -3.347 1.00 31.31 H new ATOM 56 N GLU A 5 9.821 19.694 -0.345 1.00 4.44 N ATOM 57 CA GLU A 5 9.697 19.014 0.939 1.00 5.24 C ATOM 58 C GLU A 5 8.320 19.304 1.549 1.00 24.24 C ATOM 59 O GLU A 5 8.207 20.025 2.545 1.00 51.11 O ATOM 60 CB GLU A 5 10.822 19.418 1.913 1.00 11.15 C ATOM 61 CG GLU A 5 12.205 18.872 1.556 1.00 55.14 C ATOM 62 CD GLU A 5 12.750 19.410 0.249 1.00 54.32 C ATOM 63 OE1 GLU A 5 13.315 20.526 0.247 1.00 42.21 O ATOM 64 OE2 GLU A 5 12.634 18.715 -0.781 1.00 50.43 O ATOM 0 H GLU A 5 10.044 19.076 -1.125 1.00 4.44 H new ATOM 0 HA GLU A 5 9.794 17.942 0.765 1.00 5.24 H new ATOM 0 HB2 GLU A 5 10.875 20.506 1.953 1.00 11.15 H new ATOM 0 HB3 GLU A 5 10.558 19.075 2.913 1.00 11.15 H new ATOM 0 HG2 GLU A 5 12.901 19.116 2.358 1.00 55.14 H new ATOM 0 HG3 GLU A 5 12.154 17.785 1.499 1.00 55.14 H new ATOM 71 N PRO A 6 7.251 18.757 0.933 1.00 34.13 N ATOM 72 CA PRO A 6 5.874 19.008 1.360 1.00 10.20 C ATOM 73 C PRO A 6 5.601 18.522 2.774 1.00 55.43 C ATOM 74 O PRO A 6 6.103 17.474 3.199 1.00 45.54 O ATOM 75 CB PRO A 6 5.025 18.216 0.352 1.00 3.15 C ATOM 76 CG PRO A 6 5.933 17.966 -0.803 1.00 74.31 C ATOM 77 CD PRO A 6 7.305 17.845 -0.221 1.00 0.24 C ATOM 0 HA PRO A 6 5.652 20.075 1.378 1.00 10.20 H new ATOM 0 HB2 PRO A 6 4.669 17.281 0.784 1.00 3.15 H new ATOM 0 HB3 PRO A 6 4.145 18.781 0.047 1.00 3.15 H new ATOM 0 HG2 PRO A 6 5.651 17.056 -1.333 1.00 74.31 H new ATOM 0 HG3 PRO A 6 5.884 18.783 -1.523 1.00 74.31 H new ATOM 0 HD2 PRO A 6 7.527 16.822 0.082 1.00 0.24 H new ATOM 0 HD3 PRO A 6 8.074 18.140 -0.934 1.00 0.24 H new ATOM 85 N ALA A 7 4.802 19.281 3.492 1.00 13.22 N ATOM 86 CA ALA A 7 4.445 18.948 4.852 1.00 5.11 C ATOM 87 C ALA A 7 3.348 17.890 4.864 1.00 35.31 C ATOM 88 O ALA A 7 3.336 16.993 5.708 1.00 20.24 O ATOM 89 CB ALA A 7 3.995 20.200 5.587 1.00 51.14 C ATOM 0 H ALA A 7 4.382 20.145 3.149 1.00 13.22 H new ATOM 0 HA ALA A 7 5.317 18.540 5.362 1.00 5.11 H new ATOM 0 HB1 ALA A 7 3.727 19.944 6.612 1.00 51.14 H new ATOM 0 HB2 ALA A 7 4.806 20.928 5.595 1.00 51.14 H new ATOM 0 HB3 ALA A 7 3.129 20.627 5.081 1.00 51.14 H new ATOM 95 N ARG A 8 2.438 18.002 3.910 1.00 50.45 N ATOM 96 CA ARG A 8 1.341 17.064 3.767 1.00 64.15 C ATOM 97 C ARG A 8 1.192 16.653 2.313 1.00 32.51 C ATOM 98 O ARG A 8 1.326 17.486 1.408 1.00 52.22 O ATOM 99 CB ARG A 8 0.025 17.675 4.259 1.00 24.35 C ATOM 100 CG ARG A 8 -0.004 17.996 5.741 1.00 12.21 C ATOM 101 CD ARG A 8 -1.369 18.498 6.157 1.00 31.15 C ATOM 102 NE ARG A 8 -1.446 18.783 7.590 1.00 13.51 N ATOM 103 CZ ARG A 8 -2.569 19.133 8.222 1.00 52.11 C ATOM 104 NH1 ARG A 8 -3.710 19.243 7.549 1.00 74.22 N ATOM 105 NH2 ARG A 8 -2.549 19.371 9.527 1.00 72.43 N ATOM 0 H ARG A 8 2.441 18.747 3.213 1.00 50.45 H new ATOM 0 HA ARG A 8 1.568 16.188 4.375 1.00 64.15 H new ATOM 0 HB2 ARG A 8 -0.168 18.589 3.698 1.00 24.35 H new ATOM 0 HB3 ARG A 8 -0.788 16.985 4.034 1.00 24.35 H new ATOM 0 HG2 ARG A 8 0.251 17.105 6.315 1.00 12.21 H new ATOM 0 HG3 ARG A 8 0.750 18.749 5.969 1.00 12.21 H new ATOM 0 HD2 ARG A 8 -1.607 19.402 5.596 1.00 31.15 H new ATOM 0 HD3 ARG A 8 -2.122 17.754 5.896 1.00 31.15 H new ATOM 0 HE ARG A 8 -0.590 18.710 8.140 1.00 13.51 H new ATOM 0 HH11 ARG A 8 -3.730 19.060 6.546 1.00 74.22 H new ATOM 0 HH12 ARG A 8 -4.565 19.511 8.036 1.00 74.22 H new ATOM 0 HH21 ARG A 8 -1.676 19.287 10.047 1.00 72.43 H new ATOM 0 HH22 ARG A 8 -3.407 19.638 10.010 1.00 72.43 H new ATOM 119 N VAL A 9 0.932 15.381 2.087 1.00 63.01 N ATOM 120 CA VAL A 9 0.740 14.860 0.741 1.00 22.54 C ATOM 121 C VAL A 9 -0.431 13.898 0.716 1.00 43.55 C ATOM 122 O VAL A 9 -0.847 13.386 1.762 1.00 12.15 O ATOM 123 CB VAL A 9 2.002 14.123 0.200 1.00 10.43 C ATOM 124 CG1 VAL A 9 3.173 15.079 0.045 1.00 11.30 C ATOM 125 CG2 VAL A 9 2.378 12.955 1.103 1.00 60.30 C ATOM 0 H VAL A 9 0.847 14.680 2.823 1.00 63.01 H new ATOM 0 HA VAL A 9 0.546 15.719 0.099 1.00 22.54 H new ATOM 0 HB VAL A 9 1.758 13.728 -0.786 1.00 10.43 H new ATOM 0 HG11 VAL A 9 4.039 14.536 -0.334 1.00 11.30 H new ATOM 0 HG12 VAL A 9 2.906 15.871 -0.655 1.00 11.30 H new ATOM 0 HG13 VAL A 9 3.415 15.517 1.013 1.00 11.30 H new ATOM 0 HG21 VAL A 9 3.262 12.457 0.704 1.00 60.30 H new ATOM 0 HG22 VAL A 9 2.591 13.325 2.106 1.00 60.30 H new ATOM 0 HG23 VAL A 9 1.550 12.247 1.146 1.00 60.30 H new ATOM 135 N ARG A 10 -0.972 13.668 -0.458 1.00 30.25 N ATOM 136 CA ARG A 10 -2.056 12.728 -0.614 1.00 2.01 C ATOM 137 C ARG A 10 -1.533 11.455 -1.235 1.00 65.53 C ATOM 138 O ARG A 10 -1.008 11.471 -2.352 1.00 61.11 O ATOM 139 CB ARG A 10 -3.163 13.306 -1.482 1.00 13.21 C ATOM 140 CG ARG A 10 -4.358 12.384 -1.614 1.00 11.22 C ATOM 141 CD ARG A 10 -5.447 12.992 -2.465 1.00 23.00 C ATOM 142 NE ARG A 10 -6.630 12.141 -2.504 1.00 33.12 N ATOM 143 CZ ARG A 10 -7.705 12.380 -3.253 1.00 31.34 C ATOM 144 NH1 ARG A 10 -7.734 13.422 -4.069 1.00 33.52 N ATOM 145 NH2 ARG A 10 -8.748 11.570 -3.183 1.00 11.14 N ATOM 0 H ARG A 10 -0.677 14.122 -1.322 1.00 30.25 H new ATOM 0 HA ARG A 10 -2.472 12.516 0.371 1.00 2.01 H new ATOM 0 HB2 ARG A 10 -3.490 14.256 -1.059 1.00 13.21 H new ATOM 0 HB3 ARG A 10 -2.765 13.519 -2.474 1.00 13.21 H new ATOM 0 HG2 ARG A 10 -4.040 11.438 -2.053 1.00 11.22 H new ATOM 0 HG3 ARG A 10 -4.754 12.159 -0.624 1.00 11.22 H new ATOM 0 HD2 ARG A 10 -5.715 13.972 -2.070 1.00 23.00 H new ATOM 0 HD3 ARG A 10 -5.075 13.147 -3.478 1.00 23.00 H new ATOM 0 HE ARG A 10 -6.635 11.306 -1.918 1.00 33.12 H new ATOM 0 HH11 ARG A 10 -6.930 14.047 -4.127 1.00 33.52 H new ATOM 0 HH12 ARG A 10 -8.560 13.600 -4.640 1.00 33.52 H new ATOM 0 HH21 ARG A 10 -8.728 10.765 -2.557 1.00 11.14 H new ATOM 0 HH22 ARG A 10 -9.573 11.750 -3.755 1.00 11.14 H new ATOM 159 N CYS A 11 -1.657 10.362 -0.524 1.00 71.42 N ATOM 160 CA CYS A 11 -1.169 9.100 -1.019 1.00 2.31 C ATOM 161 C CYS A 11 -2.150 7.978 -0.744 1.00 2.35 C ATOM 162 O CYS A 11 -2.820 7.952 0.297 1.00 2.53 O ATOM 163 CB CYS A 11 0.191 8.770 -0.399 1.00 42.23 C ATOM 164 SG CYS A 11 1.462 10.016 -0.703 1.00 71.14 S ATOM 0 H CYS A 11 -2.091 10.321 0.398 1.00 71.42 H new ATOM 0 HA CYS A 11 -1.056 9.193 -2.099 1.00 2.31 H new ATOM 0 HB2 CYS A 11 0.068 8.648 0.677 1.00 42.23 H new ATOM 0 HB3 CYS A 11 0.535 7.813 -0.791 1.00 42.23 H new ATOM 0 HG CYS A 11 2.574 9.649 -0.138 1.00 71.14 H new ATOM 170 N SER A 12 -2.244 7.070 -1.685 1.00 53.04 N ATOM 171 CA SER A 12 -3.072 5.905 -1.545 1.00 13.44 C ATOM 172 C SER A 12 -2.209 4.747 -1.066 1.00 4.13 C ATOM 173 O SER A 12 -1.024 4.674 -1.407 1.00 22.50 O ATOM 174 CB SER A 12 -3.725 5.568 -2.883 1.00 41.51 C ATOM 175 OG SER A 12 -4.412 6.693 -3.406 1.00 22.52 O ATOM 0 H SER A 12 -1.744 7.122 -2.573 1.00 53.04 H new ATOM 0 HA SER A 12 -3.862 6.093 -0.818 1.00 13.44 H new ATOM 0 HB2 SER A 12 -2.965 5.239 -3.591 1.00 41.51 H new ATOM 0 HB3 SER A 12 -4.421 4.739 -2.755 1.00 41.51 H new ATOM 0 HG SER A 12 -4.822 6.456 -4.264 1.00 22.52 H new ATOM 181 N HIS A 13 -2.777 3.858 -0.274 1.00 53.32 N ATOM 182 CA HIS A 13 -2.011 2.753 0.269 1.00 23.13 C ATOM 183 C HIS A 13 -2.719 1.419 0.080 1.00 11.53 C ATOM 184 O HIS A 13 -3.922 1.295 0.311 1.00 3.04 O ATOM 185 CB HIS A 13 -1.682 2.988 1.761 1.00 22.30 C ATOM 186 CG HIS A 13 -2.841 2.809 2.716 1.00 52.12 C ATOM 187 ND1 HIS A 13 -4.110 3.285 2.687 1.00 64.11 N flip ATOM 188 CD2 HIS A 13 -2.743 2.081 3.878 1.00 44.20 C flip ATOM 189 CE1 HIS A 13 -4.737 2.837 3.821 1.00 64.32 C flip ATOM 190 NE2 HIS A 13 -3.891 2.116 4.520 1.00 21.54 N flip ATOM 0 H HIS A 13 -3.758 3.878 0.006 1.00 53.32 H new ATOM 0 HA HIS A 13 -1.076 2.708 -0.290 1.00 23.13 H new ATOM 0 HB2 HIS A 13 -0.884 2.304 2.052 1.00 22.30 H new ATOM 0 HB3 HIS A 13 -1.292 4.000 1.875 1.00 22.30 H new ATOM 0 HD1 HIS A 13 -4.521 3.868 1.958 1.00 64.11 H new ATOM 0 HD2 HIS A 13 -1.858 1.560 4.213 1.00 44.20 H new ATOM 0 HE1 HIS A 13 -5.761 3.044 4.095 1.00 64.32 H new ATOM 199 N LEU A 14 -1.966 0.439 -0.358 1.00 22.12 N ATOM 200 CA LEU A 14 -2.462 -0.912 -0.515 1.00 52.42 C ATOM 201 C LEU A 14 -1.700 -1.805 0.448 1.00 40.44 C ATOM 202 O LEU A 14 -0.470 -1.762 0.489 1.00 64.11 O ATOM 203 CB LEU A 14 -2.275 -1.381 -1.978 1.00 15.51 C ATOM 204 CG LEU A 14 -2.989 -2.687 -2.395 1.00 60.22 C ATOM 205 CD1 LEU A 14 -3.100 -2.761 -3.909 1.00 1.30 C ATOM 206 CD2 LEU A 14 -2.245 -3.914 -1.876 1.00 11.10 C ATOM 0 H LEU A 14 -0.986 0.554 -0.618 1.00 22.12 H new ATOM 0 HA LEU A 14 -3.528 -0.958 -0.291 1.00 52.42 H new ATOM 0 HB2 LEU A 14 -2.619 -0.583 -2.636 1.00 15.51 H new ATOM 0 HB3 LEU A 14 -1.208 -1.506 -2.159 1.00 15.51 H new ATOM 0 HG LEU A 14 -3.986 -2.678 -1.955 1.00 60.22 H new ATOM 0 HD11 LEU A 14 -3.604 -3.685 -4.192 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.673 -1.908 -4.274 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -2.103 -2.743 -4.348 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -2.772 -4.817 -2.186 1.00 11.10 H new ATOM 0 HD22 LEU A 14 -1.234 -3.926 -2.283 1.00 11.10 H new ATOM 0 HD23 LEU A 14 -2.197 -3.877 -0.788 1.00 11.10 H new ATOM 218 N LEU A 15 -2.411 -2.578 1.236 1.00 1.34 N ATOM 219 CA LEU A 15 -1.767 -3.442 2.205 1.00 70.11 C ATOM 220 C LEU A 15 -2.165 -4.889 1.989 1.00 21.24 C ATOM 221 O LEU A 15 -3.343 -5.251 2.111 1.00 54.41 O ATOM 222 CB LEU A 15 -2.098 -2.978 3.644 1.00 4.13 C ATOM 223 CG LEU A 15 -1.371 -3.700 4.810 1.00 5.12 C ATOM 224 CD1 LEU A 15 -2.058 -5.001 5.177 1.00 23.12 C ATOM 225 CD2 LEU A 15 0.087 -3.958 4.465 1.00 71.20 C ATOM 0 H LEU A 15 -3.430 -2.628 1.228 1.00 1.34 H new ATOM 0 HA LEU A 15 -0.688 -3.374 2.066 1.00 70.11 H new ATOM 0 HB2 LEU A 15 -1.875 -1.914 3.715 1.00 4.13 H new ATOM 0 HB3 LEU A 15 -3.172 -3.089 3.796 1.00 4.13 H new ATOM 0 HG LEU A 15 -1.415 -3.039 5.675 1.00 5.12 H new ATOM 0 HD11 LEU A 15 -1.520 -5.478 5.997 1.00 23.12 H new ATOM 0 HD12 LEU A 15 -3.083 -4.797 5.486 1.00 23.12 H new ATOM 0 HD13 LEU A 15 -2.065 -5.665 4.313 1.00 23.12 H new ATOM 0 HD21 LEU A 15 0.574 -4.465 5.298 1.00 71.20 H new ATOM 0 HD22 LEU A 15 0.145 -4.585 3.575 1.00 71.20 H new ATOM 0 HD23 LEU A 15 0.589 -3.010 4.274 1.00 71.20 H new ATOM 237 N VAL A 16 -1.185 -5.700 1.652 1.00 63.20 N ATOM 238 CA VAL A 16 -1.393 -7.120 1.487 1.00 74.25 C ATOM 239 C VAL A 16 -0.897 -7.837 2.743 1.00 4.52 C ATOM 240 O VAL A 16 0.146 -7.471 3.309 1.00 5.51 O ATOM 241 CB VAL A 16 -0.650 -7.660 0.229 1.00 43.53 C ATOM 242 CG1 VAL A 16 0.857 -7.598 0.407 1.00 73.34 C ATOM 243 CG2 VAL A 16 -1.097 -9.073 -0.105 1.00 20.45 C ATOM 0 H VAL A 16 -0.226 -5.394 1.486 1.00 63.20 H new ATOM 0 HA VAL A 16 -2.457 -7.308 1.343 1.00 74.25 H new ATOM 0 HB VAL A 16 -0.913 -7.015 -0.609 1.00 43.53 H new ATOM 0 HG11 VAL A 16 1.345 -7.982 -0.489 1.00 73.34 H new ATOM 0 HG12 VAL A 16 1.162 -6.564 0.572 1.00 73.34 H new ATOM 0 HG13 VAL A 16 1.147 -8.203 1.266 1.00 73.34 H new ATOM 0 HG21 VAL A 16 -0.562 -9.425 -0.987 1.00 20.45 H new ATOM 0 HG22 VAL A 16 -0.881 -9.731 0.737 1.00 20.45 H new ATOM 0 HG23 VAL A 16 -2.169 -9.078 -0.304 1.00 20.45 H new ATOM 253 N LYS A 17 -1.641 -8.814 3.202 1.00 30.03 N ATOM 254 CA LYS A 17 -1.272 -9.523 4.409 1.00 14.15 C ATOM 255 C LYS A 17 -0.660 -10.878 4.087 1.00 63.44 C ATOM 256 O LYS A 17 -0.769 -11.374 2.962 1.00 1.22 O ATOM 257 CB LYS A 17 -2.480 -9.664 5.335 1.00 32.54 C ATOM 258 CG LYS A 17 -3.087 -8.319 5.718 1.00 23.40 C ATOM 259 CD LYS A 17 -4.260 -8.457 6.677 1.00 11.10 C ATOM 260 CE LYS A 17 -3.811 -8.970 8.031 1.00 13.55 C ATOM 261 NZ LYS A 17 -4.870 -8.811 9.057 1.00 73.22 N ATOM 0 H LYS A 17 -2.503 -9.137 2.762 1.00 30.03 H new ATOM 0 HA LYS A 17 -0.512 -8.940 4.929 1.00 14.15 H new ATOM 0 HB2 LYS A 17 -3.239 -10.274 4.845 1.00 32.54 H new ATOM 0 HB3 LYS A 17 -2.180 -10.193 6.239 1.00 32.54 H new ATOM 0 HG2 LYS A 17 -2.319 -7.696 6.177 1.00 23.40 H new ATOM 0 HG3 LYS A 17 -3.419 -7.804 4.816 1.00 23.40 H new ATOM 0 HD2 LYS A 17 -4.750 -7.491 6.797 1.00 11.10 H new ATOM 0 HD3 LYS A 17 -4.999 -9.138 6.255 1.00 11.10 H new ATOM 0 HE2 LYS A 17 -3.539 -10.022 7.949 1.00 13.55 H new ATOM 0 HE3 LYS A 17 -2.916 -8.433 8.345 1.00 13.55 H new ATOM 0 HZ1 LYS A 17 -4.588 -9.307 9.927 1.00 73.22 H new ATOM 0 HZ2 LYS A 17 -5.005 -7.801 9.263 1.00 73.22 H new ATOM 0 HZ3 LYS A 17 -5.761 -9.214 8.702 1.00 73.22 H new ATOM 275 N HIS A 18 -0.009 -11.471 5.073 1.00 5.34 N ATOM 276 CA HIS A 18 0.640 -12.758 4.889 1.00 52.41 C ATOM 277 C HIS A 18 0.232 -13.735 5.984 1.00 24.33 C ATOM 278 O HIS A 18 -0.143 -13.324 7.082 1.00 70.12 O ATOM 279 CB HIS A 18 2.181 -12.615 4.798 1.00 31.22 C ATOM 280 CG HIS A 18 2.857 -12.042 6.018 1.00 52.54 C ATOM 281 ND1 HIS A 18 3.988 -12.593 6.572 1.00 72.21 N ATOM 282 CD2 HIS A 18 2.581 -10.943 6.761 1.00 61.23 C ATOM 283 CE1 HIS A 18 4.377 -11.863 7.597 1.00 33.11 C ATOM 284 NE2 HIS A 18 3.542 -10.858 7.734 1.00 13.02 N ATOM 0 H HIS A 18 0.084 -11.081 6.011 1.00 5.34 H new ATOM 0 HA HIS A 18 0.302 -13.165 3.936 1.00 52.41 H new ATOM 0 HB2 HIS A 18 2.608 -13.598 4.597 1.00 31.22 H new ATOM 0 HB3 HIS A 18 2.419 -11.983 3.943 1.00 31.22 H new ATOM 0 HD2 HIS A 18 1.757 -10.261 6.614 1.00 61.23 H new ATOM 0 HE1 HIS A 18 5.237 -12.058 8.220 1.00 33.11 H new ATOM 0 HE2 HIS A 18 3.600 -10.132 8.449 1.00 13.02 H new ATOM 293 N SER A 19 0.301 -15.022 5.657 1.00 51.41 N ATOM 294 CA SER A 19 -0.115 -16.113 6.539 1.00 71.21 C ATOM 295 C SER A 19 0.454 -15.975 7.952 1.00 11.03 C ATOM 296 O SER A 19 -0.299 -15.870 8.925 1.00 35.33 O ATOM 297 CB SER A 19 0.299 -17.457 5.926 1.00 60.30 C ATOM 298 OG SER A 19 -0.321 -18.545 6.593 1.00 72.51 O ATOM 0 H SER A 19 0.654 -15.344 4.756 1.00 51.41 H new ATOM 0 HA SER A 19 -1.200 -16.066 6.631 1.00 71.21 H new ATOM 0 HB2 SER A 19 0.030 -17.475 4.870 1.00 60.30 H new ATOM 0 HB3 SER A 19 1.382 -17.565 5.981 1.00 60.30 H new ATOM 0 HG SER A 19 -1.294 -18.478 6.494 1.00 72.51 H new ATOM 304 N GLN A 20 1.772 -15.976 8.069 1.00 64.01 N ATOM 305 CA GLN A 20 2.409 -15.870 9.370 1.00 41.14 C ATOM 306 C GLN A 20 2.385 -14.433 9.866 1.00 53.54 C ATOM 307 O GLN A 20 3.330 -13.680 9.663 1.00 10.43 O ATOM 308 CB GLN A 20 3.846 -16.396 9.318 1.00 32.04 C ATOM 309 CG GLN A 20 3.957 -17.827 8.817 1.00 22.34 C ATOM 310 CD GLN A 20 3.146 -18.802 9.647 1.00 71.14 C ATOM 311 OE1 GLN A 20 1.972 -19.056 9.363 1.00 53.25 O ATOM 312 NE2 GLN A 20 3.762 -19.352 10.672 1.00 3.20 N ATOM 0 H GLN A 20 2.418 -16.049 7.283 1.00 64.01 H new ATOM 0 HA GLN A 20 1.846 -16.485 10.072 1.00 41.14 H new ATOM 0 HB2 GLN A 20 4.437 -15.748 8.672 1.00 32.04 H new ATOM 0 HB3 GLN A 20 4.282 -16.335 10.315 1.00 32.04 H new ATOM 0 HG2 GLN A 20 3.622 -17.872 7.781 1.00 22.34 H new ATOM 0 HG3 GLN A 20 5.004 -18.131 8.827 1.00 22.34 H new ATOM 0 HE21 GLN A 20 4.734 -19.114 10.871 1.00 3.20 H new ATOM 0 HE22 GLN A 20 3.268 -20.017 11.267 1.00 3.20 H new ATOM 321 N SER A 21 1.291 -14.053 10.482 1.00 45.32 N ATOM 322 CA SER A 21 1.134 -12.716 11.005 1.00 13.24 C ATOM 323 C SER A 21 0.492 -12.757 12.385 1.00 31.13 C ATOM 324 O SER A 21 0.164 -13.838 12.898 1.00 51.04 O ATOM 325 CB SER A 21 0.297 -11.872 10.037 1.00 64.33 C ATOM 326 OG SER A 21 -0.870 -12.569 9.630 1.00 40.32 O ATOM 0 H SER A 21 0.486 -14.660 10.635 1.00 45.32 H new ATOM 0 HA SER A 21 2.117 -12.256 11.105 1.00 13.24 H new ATOM 0 HB2 SER A 21 0.016 -10.935 10.517 1.00 64.33 H new ATOM 0 HB3 SER A 21 0.895 -11.616 9.162 1.00 64.33 H new ATOM 0 HG SER A 21 -0.750 -12.902 8.716 1.00 40.32 H new ATOM 332 N ARG A 22 0.310 -11.595 12.987 1.00 51.51 N ATOM 333 CA ARG A 22 -0.281 -11.520 14.308 1.00 62.25 C ATOM 334 C ARG A 22 -1.783 -11.692 14.208 1.00 64.33 C ATOM 335 O ARG A 22 -2.412 -12.307 15.068 1.00 75.31 O ATOM 336 CB ARG A 22 0.067 -10.191 14.974 1.00 63.13 C ATOM 337 CG ARG A 22 1.548 -9.866 14.928 1.00 0.14 C ATOM 338 CD ARG A 22 1.897 -8.711 15.843 1.00 22.00 C ATOM 339 NE ARG A 22 1.756 -9.075 17.250 1.00 62.21 N ATOM 340 CZ ARG A 22 2.601 -8.705 18.209 1.00 72.10 C ATOM 341 NH1 ARG A 22 3.631 -7.908 17.926 1.00 11.23 N ATOM 342 NH2 ARG A 22 2.410 -9.126 19.456 1.00 44.30 N ATOM 0 H ARG A 22 0.563 -10.694 12.582 1.00 51.51 H new ATOM 0 HA ARG A 22 0.124 -12.323 14.924 1.00 62.25 H new ATOM 0 HB2 ARG A 22 -0.489 -9.391 14.485 1.00 63.13 H new ATOM 0 HB3 ARG A 22 -0.260 -10.217 16.013 1.00 63.13 H new ATOM 0 HG2 ARG A 22 2.123 -10.746 15.217 1.00 0.14 H new ATOM 0 HG3 ARG A 22 1.835 -9.620 13.906 1.00 0.14 H new ATOM 0 HD2 ARG A 22 2.921 -8.391 15.651 1.00 22.00 H new ATOM 0 HD3 ARG A 22 1.251 -7.862 15.620 1.00 22.00 H new ATOM 0 HE ARG A 22 0.957 -9.651 17.515 1.00 62.21 H new ATOM 0 HH11 ARG A 22 3.774 -7.579 16.971 1.00 11.23 H new ATOM 0 HH12 ARG A 22 4.276 -7.627 18.664 1.00 11.23 H new ATOM 0 HH21 ARG A 22 1.618 -9.730 19.675 1.00 44.30 H new ATOM 0 HH22 ARG A 22 3.056 -8.845 20.194 1.00 44.30 H new ATOM 356 N ARG A 23 -2.351 -11.145 13.152 1.00 41.40 N ATOM 357 CA ARG A 23 -3.770 -11.275 12.885 1.00 61.52 C ATOM 358 C ARG A 23 -3.981 -11.719 11.445 1.00 63.40 C ATOM 359 O ARG A 23 -4.042 -10.892 10.542 1.00 42.10 O ATOM 360 CB ARG A 23 -4.509 -9.955 13.144 1.00 54.02 C ATOM 361 CG ARG A 23 -4.449 -9.479 14.587 1.00 40.22 C ATOM 362 CD ARG A 23 -5.018 -10.521 15.538 1.00 72.53 C ATOM 363 NE ARG A 23 -4.978 -10.074 16.927 1.00 52.40 N ATOM 364 CZ ARG A 23 -4.208 -10.617 17.875 1.00 5.32 C ATOM 365 NH1 ARG A 23 -3.349 -11.586 17.571 1.00 72.23 N ATOM 366 NH2 ARG A 23 -4.285 -10.177 19.120 1.00 40.15 N ATOM 0 H ARG A 23 -1.843 -10.599 12.456 1.00 41.40 H new ATOM 0 HA ARG A 23 -4.179 -12.025 13.562 1.00 61.52 H new ATOM 0 HB2 ARG A 23 -4.087 -9.183 12.501 1.00 54.02 H new ATOM 0 HB3 ARG A 23 -5.553 -10.074 12.856 1.00 54.02 H new ATOM 0 HG2 ARG A 23 -3.416 -9.262 14.858 1.00 40.22 H new ATOM 0 HG3 ARG A 23 -5.007 -8.548 14.688 1.00 40.22 H new ATOM 0 HD2 ARG A 23 -6.048 -10.743 15.258 1.00 72.53 H new ATOM 0 HD3 ARG A 23 -4.454 -11.448 15.439 1.00 72.53 H new ATOM 0 HE ARG A 23 -5.579 -9.294 17.192 1.00 52.40 H new ATOM 0 HH11 ARG A 23 -3.275 -11.919 16.610 1.00 72.23 H new ATOM 0 HH12 ARG A 23 -2.764 -11.996 18.299 1.00 72.23 H new ATOM 0 HH21 ARG A 23 -4.932 -9.424 19.356 1.00 40.15 H new ATOM 0 HH22 ARG A 23 -3.698 -10.591 19.844 1.00 40.15 H new ATOM 380 N PRO A 24 -4.059 -13.039 11.211 1.00 62.01 N ATOM 381 CA PRO A 24 -4.235 -13.603 9.866 1.00 74.55 C ATOM 382 C PRO A 24 -5.635 -13.371 9.283 1.00 20.45 C ATOM 383 O PRO A 24 -5.911 -13.768 8.153 1.00 3.20 O ATOM 384 CB PRO A 24 -3.985 -15.111 10.068 1.00 63.31 C ATOM 385 CG PRO A 24 -3.398 -15.236 11.438 1.00 25.20 C ATOM 386 CD PRO A 24 -3.955 -14.092 12.223 1.00 44.15 C ATOM 0 HA PRO A 24 -3.560 -13.129 9.153 1.00 74.55 H new ATOM 0 HB2 PRO A 24 -4.912 -15.678 9.985 1.00 63.31 H new ATOM 0 HB3 PRO A 24 -3.304 -15.501 9.312 1.00 63.31 H new ATOM 0 HG2 PRO A 24 -3.665 -16.190 11.893 1.00 25.20 H new ATOM 0 HG3 PRO A 24 -2.309 -15.193 11.403 1.00 25.20 H new ATOM 0 HD2 PRO A 24 -4.924 -14.333 12.660 1.00 44.15 H new ATOM 0 HD3 PRO A 24 -3.298 -13.804 13.043 1.00 44.15 H new ATOM 394 N SER A 25 -6.513 -12.739 10.045 1.00 73.22 N ATOM 395 CA SER A 25 -7.862 -12.470 9.573 1.00 73.52 C ATOM 396 C SER A 25 -7.918 -11.156 8.792 1.00 32.45 C ATOM 397 O SER A 25 -7.237 -10.183 9.138 1.00 52.25 O ATOM 398 CB SER A 25 -8.839 -12.436 10.748 1.00 55.35 C ATOM 399 OG SER A 25 -8.759 -13.636 11.509 1.00 34.21 O ATOM 0 H SER A 25 -6.318 -12.404 10.988 1.00 73.22 H new ATOM 0 HA SER A 25 -8.153 -13.276 8.899 1.00 73.52 H new ATOM 0 HB2 SER A 25 -8.617 -11.580 11.386 1.00 55.35 H new ATOM 0 HB3 SER A 25 -9.855 -12.303 10.377 1.00 55.35 H new ATOM 0 HG SER A 25 -8.788 -14.408 10.906 1.00 34.21 H new ATOM 405 N SER A 26 -8.711 -11.139 7.743 1.00 31.54 N ATOM 406 CA SER A 26 -8.876 -9.963 6.914 1.00 2.12 C ATOM 407 C SER A 26 -10.340 -9.817 6.514 1.00 53.23 C ATOM 408 O SER A 26 -11.199 -10.548 7.019 1.00 65.42 O ATOM 409 CB SER A 26 -8.011 -10.100 5.669 1.00 75.04 C ATOM 410 OG SER A 26 -8.416 -11.216 4.879 1.00 24.10 O ATOM 0 H SER A 26 -9.262 -11.942 7.439 1.00 31.54 H new ATOM 0 HA SER A 26 -8.571 -9.078 7.472 1.00 2.12 H new ATOM 0 HB2 SER A 26 -8.077 -9.188 5.075 1.00 75.04 H new ATOM 0 HB3 SER A 26 -6.967 -10.217 5.960 1.00 75.04 H new ATOM 0 HG SER A 26 -7.946 -12.020 5.184 1.00 24.10 H new ATOM 415 N TRP A 27 -10.636 -8.886 5.612 1.00 53.41 N ATOM 416 CA TRP A 27 -12.006 -8.720 5.151 1.00 43.31 C ATOM 417 C TRP A 27 -12.280 -9.678 3.991 1.00 2.01 C ATOM 418 O TRP A 27 -13.425 -9.857 3.568 1.00 23.00 O ATOM 419 CB TRP A 27 -12.294 -7.255 4.743 1.00 2.34 C ATOM 420 CG TRP A 27 -11.884 -6.889 3.338 1.00 72.45 C ATOM 421 CD1 TRP A 27 -10.621 -6.683 2.872 1.00 50.04 C ATOM 422 CD2 TRP A 27 -12.760 -6.666 2.223 1.00 15.13 C ATOM 423 NE1 TRP A 27 -10.654 -6.360 1.543 1.00 34.11 N ATOM 424 CE2 TRP A 27 -11.954 -6.339 1.120 1.00 41.42 C ATOM 425 CE3 TRP A 27 -14.144 -6.717 2.053 1.00 25.54 C ATOM 426 CZ2 TRP A 27 -12.486 -6.061 -0.138 1.00 75.03 C ATOM 427 CZ3 TRP A 27 -14.672 -6.441 0.806 1.00 52.43 C ATOM 428 CH2 TRP A 27 -13.844 -6.118 -0.276 1.00 30.05 C ATOM 0 H TRP A 27 -9.959 -8.248 5.194 1.00 53.41 H new ATOM 0 HA TRP A 27 -12.679 -8.960 5.974 1.00 43.31 H new ATOM 0 HB2 TRP A 27 -13.362 -7.067 4.854 1.00 2.34 H new ATOM 0 HB3 TRP A 27 -11.780 -6.593 5.439 1.00 2.34 H new ATOM 0 HD1 TRP A 27 -9.723 -6.763 3.466 1.00 50.04 H new ATOM 0 HE1 TRP A 27 -9.839 -6.166 0.961 1.00 34.11 H new ATOM 0 HE3 TRP A 27 -14.791 -6.968 2.881 1.00 25.54 H new ATOM 0 HZ2 TRP A 27 -11.848 -5.810 -0.973 1.00 75.03 H new ATOM 0 HZ3 TRP A 27 -15.742 -6.475 0.664 1.00 52.43 H new ATOM 0 HH2 TRP A 27 -14.288 -5.910 -1.238 1.00 30.05 H new ATOM 439 N ARG A 28 -11.214 -10.299 3.492 1.00 53.04 N ATOM 440 CA ARG A 28 -11.311 -11.245 2.389 1.00 33.11 C ATOM 441 C ARG A 28 -11.213 -12.676 2.896 1.00 44.35 C ATOM 442 O ARG A 28 -11.929 -13.557 2.429 1.00 63.22 O ATOM 443 CB ARG A 28 -10.199 -10.993 1.360 1.00 62.12 C ATOM 444 CG ARG A 28 -10.278 -9.648 0.663 1.00 74.42 C ATOM 445 CD ARG A 28 -11.516 -9.540 -0.215 1.00 23.42 C ATOM 446 NE ARG A 28 -11.499 -10.497 -1.325 1.00 31.31 N ATOM 447 CZ ARG A 28 -12.196 -10.348 -2.454 1.00 53.15 C ATOM 448 NH1 ARG A 28 -12.973 -9.280 -2.624 1.00 14.31 N ATOM 449 NH2 ARG A 28 -12.117 -11.263 -3.413 1.00 53.15 N ATOM 0 H ARG A 28 -10.265 -10.160 3.840 1.00 53.04 H new ATOM 0 HA ARG A 28 -12.280 -11.101 1.912 1.00 33.11 H new ATOM 0 HB2 ARG A 28 -9.234 -11.072 1.860 1.00 62.12 H new ATOM 0 HB3 ARG A 28 -10.233 -11.780 0.607 1.00 62.12 H new ATOM 0 HG2 ARG A 28 -10.290 -8.852 1.408 1.00 74.42 H new ATOM 0 HG3 ARG A 28 -9.386 -9.501 0.054 1.00 74.42 H new ATOM 0 HD2 ARG A 28 -12.405 -9.709 0.393 1.00 23.42 H new ATOM 0 HD3 ARG A 28 -11.589 -8.528 -0.613 1.00 23.42 H new ATOM 0 HE ARG A 28 -10.918 -11.330 -1.229 1.00 31.31 H new ATOM 0 HH11 ARG A 28 -13.037 -8.574 -1.891 1.00 14.31 H new ATOM 0 HH12 ARG A 28 -13.505 -9.168 -3.487 1.00 14.31 H new ATOM 0 HH21 ARG A 28 -11.523 -12.083 -3.288 1.00 53.15 H new ATOM 0 HH22 ARG A 28 -12.651 -11.146 -4.274 1.00 53.15 H new ATOM 463 N GLN A 29 -10.323 -12.903 3.849 1.00 71.42 N ATOM 464 CA GLN A 29 -10.106 -14.231 4.394 1.00 52.14 C ATOM 465 C GLN A 29 -10.148 -14.203 5.910 1.00 62.10 C ATOM 466 O GLN A 29 -10.031 -13.151 6.524 1.00 44.30 O ATOM 467 CB GLN A 29 -8.750 -14.794 3.940 1.00 75.31 C ATOM 468 CG GLN A 29 -8.598 -14.930 2.432 1.00 62.21 C ATOM 469 CD GLN A 29 -7.635 -13.916 1.827 1.00 44.11 C ATOM 470 OE1 GLN A 29 -6.989 -14.198 0.813 1.00 5.31 O ATOM 471 NE2 GLN A 29 -7.526 -12.748 2.433 1.00 25.33 N ATOM 0 H GLN A 29 -9.736 -12.178 4.263 1.00 71.42 H new ATOM 0 HA GLN A 29 -10.905 -14.873 4.022 1.00 52.14 H new ATOM 0 HB2 GLN A 29 -7.958 -14.147 4.316 1.00 75.31 H new ATOM 0 HB3 GLN A 29 -8.606 -15.773 4.397 1.00 75.31 H new ATOM 0 HG2 GLN A 29 -8.249 -15.936 2.199 1.00 62.21 H new ATOM 0 HG3 GLN A 29 -9.576 -14.816 1.964 1.00 62.21 H new ATOM 0 HE21 GLN A 29 -8.077 -12.554 3.269 1.00 25.33 H new ATOM 0 HE22 GLN A 29 -6.890 -12.040 2.065 1.00 25.33 H new ATOM 480 N GLU A 30 -10.336 -15.354 6.504 1.00 42.32 N ATOM 481 CA GLU A 30 -10.319 -15.477 7.946 1.00 1.12 C ATOM 482 C GLU A 30 -8.905 -15.805 8.398 1.00 43.24 C ATOM 483 O GLU A 30 -8.492 -15.471 9.506 1.00 34.32 O ATOM 484 CB GLU A 30 -11.273 -16.579 8.395 1.00 60.20 C ATOM 485 CG GLU A 30 -11.427 -16.686 9.898 1.00 74.21 C ATOM 486 CD GLU A 30 -12.173 -17.925 10.307 1.00 52.43 C ATOM 487 OE1 GLU A 30 -13.366 -18.047 9.967 1.00 3.00 O ATOM 488 OE2 GLU A 30 -11.565 -18.800 10.961 1.00 70.23 O ATOM 0 H GLU A 30 -10.504 -16.230 6.009 1.00 42.32 H new ATOM 0 HA GLU A 30 -10.642 -14.536 8.392 1.00 1.12 H new ATOM 0 HB2 GLU A 30 -12.253 -16.400 7.952 1.00 60.20 H new ATOM 0 HB3 GLU A 30 -10.917 -17.534 8.008 1.00 60.20 H new ATOM 0 HG2 GLU A 30 -10.441 -16.688 10.363 1.00 74.21 H new ATOM 0 HG3 GLU A 30 -11.954 -15.807 10.271 1.00 74.21 H new ATOM 495 N LYS A 31 -8.173 -16.457 7.516 1.00 54.01 N ATOM 496 CA LYS A 31 -6.808 -16.849 7.783 1.00 24.45 C ATOM 497 C LYS A 31 -5.996 -16.872 6.490 1.00 2.23 C ATOM 498 O LYS A 31 -6.148 -17.776 5.666 1.00 1.02 O ATOM 499 CB LYS A 31 -6.773 -18.215 8.496 1.00 41.22 C ATOM 500 CG LYS A 31 -7.732 -19.251 7.909 1.00 1.35 C ATOM 501 CD LYS A 31 -7.789 -20.520 8.754 1.00 3.35 C ATOM 502 CE LYS A 31 -6.489 -21.310 8.689 1.00 2.21 C ATOM 503 NZ LYS A 31 -6.203 -21.792 7.315 1.00 61.24 N ATOM 0 H LYS A 31 -8.511 -16.729 6.593 1.00 54.01 H new ATOM 0 HA LYS A 31 -6.353 -16.114 8.447 1.00 24.45 H new ATOM 0 HB2 LYS A 31 -5.758 -18.610 8.452 1.00 41.22 H new ATOM 0 HB3 LYS A 31 -7.013 -18.069 9.549 1.00 41.22 H new ATOM 0 HG2 LYS A 31 -8.730 -18.820 7.835 1.00 1.35 H new ATOM 0 HG3 LYS A 31 -7.418 -19.503 6.896 1.00 1.35 H new ATOM 0 HD2 LYS A 31 -8.001 -20.256 9.790 1.00 3.35 H new ATOM 0 HD3 LYS A 31 -8.612 -21.147 8.410 1.00 3.35 H new ATOM 0 HE2 LYS A 31 -5.666 -20.684 9.033 1.00 2.21 H new ATOM 0 HE3 LYS A 31 -6.547 -22.161 9.368 1.00 2.21 H new ATOM 0 HZ1 LYS A 31 -5.478 -22.537 7.352 1.00 61.24 H new ATOM 0 HZ2 LYS A 31 -7.073 -22.176 6.894 1.00 61.24 H new ATOM 0 HZ3 LYS A 31 -5.858 -21.001 6.735 1.00 61.24 H new ATOM 517 N ILE A 32 -5.158 -15.854 6.312 1.00 31.40 N ATOM 518 CA ILE A 32 -4.317 -15.723 5.116 1.00 41.13 C ATOM 519 C ILE A 32 -3.488 -16.991 4.897 1.00 54.41 C ATOM 520 O ILE A 32 -2.870 -17.510 5.832 1.00 51.44 O ATOM 521 CB ILE A 32 -3.352 -14.510 5.223 1.00 62.54 C ATOM 522 CG1 ILE A 32 -4.106 -13.236 5.631 1.00 52.12 C ATOM 523 CG2 ILE A 32 -2.624 -14.291 3.903 1.00 54.20 C ATOM 524 CD1 ILE A 32 -5.156 -12.791 4.638 1.00 62.15 C ATOM 0 H ILE A 32 -5.040 -15.098 6.987 1.00 31.40 H new ATOM 0 HA ILE A 32 -4.989 -15.567 4.272 1.00 41.13 H new ATOM 0 HB ILE A 32 -2.618 -14.733 5.998 1.00 62.54 H new ATOM 0 HG12 ILE A 32 -4.583 -13.403 6.597 1.00 52.12 H new ATOM 0 HG13 ILE A 32 -3.386 -12.429 5.767 1.00 52.12 H new ATOM 0 HG21 ILE A 32 -1.952 -13.438 3.995 1.00 54.20 H new ATOM 0 HG22 ILE A 32 -2.047 -15.182 3.653 1.00 54.20 H new ATOM 0 HG23 ILE A 32 -3.351 -14.097 3.114 1.00 54.20 H new ATOM 0 HD11 ILE A 32 -5.641 -11.885 5.002 1.00 62.15 H new ATOM 0 HD12 ILE A 32 -4.685 -12.589 3.676 1.00 62.15 H new ATOM 0 HD13 ILE A 32 -5.901 -13.578 4.519 1.00 62.15 H new ATOM 536 N THR A 33 -3.486 -17.488 3.678 1.00 52.24 N ATOM 537 CA THR A 33 -2.748 -18.690 3.349 1.00 33.50 C ATOM 538 C THR A 33 -1.431 -18.352 2.647 1.00 4.25 C ATOM 539 O THR A 33 -0.438 -19.069 2.785 1.00 41.51 O ATOM 540 CB THR A 33 -3.585 -19.613 2.443 1.00 74.40 C ATOM 541 OG1 THR A 33 -4.910 -19.722 2.970 1.00 70.21 O ATOM 542 CG2 THR A 33 -2.966 -20.997 2.362 1.00 5.01 C ATOM 0 H THR A 33 -3.991 -17.075 2.894 1.00 52.24 H new ATOM 0 HA THR A 33 -2.529 -19.205 4.284 1.00 33.50 H new ATOM 0 HB THR A 33 -3.612 -19.182 1.442 1.00 74.40 H new ATOM 0 HG1 THR A 33 -5.444 -20.308 2.394 1.00 70.21 H new ATOM 0 HG21 THR A 33 -3.575 -21.631 1.717 1.00 5.01 H new ATOM 0 HG22 THR A 33 -1.959 -20.922 1.951 1.00 5.01 H new ATOM 0 HG23 THR A 33 -2.919 -21.434 3.360 1.00 5.01 H new ATOM 550 N ARG A 34 -1.427 -17.252 1.906 1.00 30.31 N ATOM 551 CA ARG A 34 -0.247 -16.842 1.159 1.00 44.14 C ATOM 552 C ARG A 34 0.851 -16.348 2.109 1.00 73.53 C ATOM 553 O ARG A 34 0.582 -15.609 3.061 1.00 2.01 O ATOM 554 CB ARG A 34 -0.608 -15.746 0.133 1.00 42.55 C ATOM 555 CG ARG A 34 -0.692 -14.342 0.718 1.00 60.43 C ATOM 556 CD ARG A 34 -1.186 -13.328 -0.297 1.00 11.50 C ATOM 557 NE ARG A 34 -2.647 -13.316 -0.399 1.00 20.42 N ATOM 558 CZ ARG A 34 -3.424 -12.411 0.206 1.00 34.14 C ATOM 559 NH1 ARG A 34 -2.887 -11.513 1.011 1.00 51.22 N ATOM 560 NH2 ARG A 34 -4.738 -12.424 0.028 1.00 11.44 N ATOM 0 H ARG A 34 -2.228 -16.628 1.807 1.00 30.31 H new ATOM 0 HA ARG A 34 0.133 -17.709 0.618 1.00 44.14 H new ATOM 0 HB2 ARG A 34 0.136 -15.751 -0.663 1.00 42.55 H new ATOM 0 HB3 ARG A 34 -1.566 -15.994 -0.324 1.00 42.55 H new ATOM 0 HG2 ARG A 34 -1.361 -14.348 1.579 1.00 60.43 H new ATOM 0 HG3 ARG A 34 0.291 -14.042 1.081 1.00 60.43 H new ATOM 0 HD2 ARG A 34 -0.835 -12.335 -0.017 1.00 11.50 H new ATOM 0 HD3 ARG A 34 -0.757 -13.554 -1.273 1.00 11.50 H new ATOM 0 HE ARG A 34 -3.097 -14.038 -0.962 1.00 20.42 H new ATOM 0 HH11 ARG A 34 -1.880 -11.509 1.171 1.00 51.22 H new ATOM 0 HH12 ARG A 34 -3.479 -10.823 1.472 1.00 51.22 H new ATOM 0 HH21 ARG A 34 -5.164 -13.128 -0.574 1.00 11.44 H new ATOM 0 HH22 ARG A 34 -5.323 -11.730 0.494 1.00 11.44 H new ATOM 574 N THR A 35 2.071 -16.775 1.870 1.00 2.52 N ATOM 575 CA THR A 35 3.192 -16.346 2.679 1.00 15.31 C ATOM 576 C THR A 35 3.680 -14.962 2.219 1.00 33.11 C ATOM 577 O THR A 35 3.140 -14.389 1.264 1.00 33.20 O ATOM 578 CB THR A 35 4.358 -17.376 2.629 1.00 13.54 C ATOM 579 OG1 THR A 35 5.396 -16.997 3.535 1.00 14.35 O ATOM 580 CG2 THR A 35 4.931 -17.490 1.225 1.00 21.25 C ATOM 0 H THR A 35 2.313 -17.421 1.119 1.00 2.52 H new ATOM 0 HA THR A 35 2.853 -16.278 3.713 1.00 15.31 H new ATOM 0 HB THR A 35 3.955 -18.346 2.922 1.00 13.54 H new ATOM 0 HG1 THR A 35 6.122 -17.654 3.494 1.00 14.35 H new ATOM 0 HG21 THR A 35 5.743 -18.217 1.222 1.00 21.25 H new ATOM 0 HG22 THR A 35 4.150 -17.816 0.539 1.00 21.25 H new ATOM 0 HG23 THR A 35 5.311 -16.519 0.907 1.00 21.25 H new ATOM 588 N LYS A 36 4.693 -14.431 2.898 1.00 62.44 N ATOM 589 CA LYS A 36 5.244 -13.119 2.572 1.00 22.23 C ATOM 590 C LYS A 36 5.790 -13.102 1.148 1.00 24.02 C ATOM 591 O LYS A 36 5.628 -12.123 0.419 1.00 14.04 O ATOM 592 CB LYS A 36 6.353 -12.747 3.563 1.00 21.24 C ATOM 593 CG LYS A 36 6.951 -11.366 3.335 1.00 60.14 C ATOM 594 CD LYS A 36 8.114 -11.107 4.275 1.00 5.54 C ATOM 595 CE LYS A 36 8.712 -9.726 4.054 1.00 42.52 C ATOM 596 NZ LYS A 36 9.917 -9.505 4.890 1.00 14.21 N ATOM 0 H LYS A 36 5.152 -14.893 3.683 1.00 62.44 H new ATOM 0 HA LYS A 36 4.442 -12.384 2.645 1.00 22.23 H new ATOM 0 HB2 LYS A 36 5.952 -12.795 4.575 1.00 21.24 H new ATOM 0 HB3 LYS A 36 7.147 -13.491 3.499 1.00 21.24 H new ATOM 0 HG2 LYS A 36 7.289 -11.280 2.302 1.00 60.14 H new ATOM 0 HG3 LYS A 36 6.184 -10.606 3.484 1.00 60.14 H new ATOM 0 HD2 LYS A 36 7.776 -11.197 5.307 1.00 5.54 H new ATOM 0 HD3 LYS A 36 8.882 -11.866 4.123 1.00 5.54 H new ATOM 0 HE2 LYS A 36 8.973 -9.607 3.002 1.00 42.52 H new ATOM 0 HE3 LYS A 36 7.966 -8.966 4.285 1.00 42.52 H new ATOM 0 HZ1 LYS A 36 10.294 -8.553 4.710 1.00 14.21 H new ATOM 0 HZ2 LYS A 36 9.663 -9.593 5.895 1.00 14.21 H new ATOM 0 HZ3 LYS A 36 10.639 -10.214 4.652 1.00 14.21 H new ATOM 610 N GLU A 37 6.425 -14.200 0.758 1.00 52.32 N ATOM 611 CA GLU A 37 6.998 -14.328 -0.575 1.00 31.32 C ATOM 612 C GLU A 37 5.902 -14.267 -1.633 1.00 1.11 C ATOM 613 O GLU A 37 6.044 -13.589 -2.649 1.00 11.22 O ATOM 614 CB GLU A 37 7.768 -15.639 -0.689 1.00 12.35 C ATOM 615 CG GLU A 37 8.775 -15.850 0.425 1.00 12.20 C ATOM 616 CD GLU A 37 9.581 -17.112 0.251 1.00 34.23 C ATOM 617 OE1 GLU A 37 9.029 -18.213 0.468 1.00 44.34 O ATOM 618 OE2 GLU A 37 10.774 -17.010 -0.098 1.00 25.22 O ATOM 0 H GLU A 37 6.556 -15.020 1.351 1.00 52.32 H new ATOM 0 HA GLU A 37 7.686 -13.499 -0.741 1.00 31.32 H new ATOM 0 HB2 GLU A 37 7.060 -16.468 -0.689 1.00 12.35 H new ATOM 0 HB3 GLU A 37 8.288 -15.663 -1.647 1.00 12.35 H new ATOM 0 HG2 GLU A 37 9.450 -14.995 0.465 1.00 12.20 H new ATOM 0 HG3 GLU A 37 8.251 -15.887 1.380 1.00 12.20 H new ATOM 625 N GLU A 38 4.804 -14.967 -1.372 1.00 11.55 N ATOM 626 CA GLU A 38 3.660 -14.979 -2.274 1.00 40.35 C ATOM 627 C GLU A 38 3.066 -13.588 -2.389 1.00 1.44 C ATOM 628 O GLU A 38 2.675 -13.156 -3.471 1.00 35.23 O ATOM 629 CB GLU A 38 2.601 -15.953 -1.773 1.00 13.15 C ATOM 630 CG GLU A 38 3.013 -17.408 -1.873 1.00 52.42 C ATOM 631 CD GLU A 38 3.147 -17.868 -3.303 1.00 33.42 C ATOM 632 OE1 GLU A 38 2.111 -18.123 -3.946 1.00 44.35 O ATOM 633 OE2 GLU A 38 4.290 -17.987 -3.789 1.00 32.20 O ATOM 0 H GLU A 38 4.682 -15.538 -0.536 1.00 11.55 H new ATOM 0 HA GLU A 38 4.000 -15.302 -3.258 1.00 40.35 H new ATOM 0 HB2 GLU A 38 2.370 -15.721 -0.733 1.00 13.15 H new ATOM 0 HB3 GLU A 38 1.685 -15.804 -2.344 1.00 13.15 H new ATOM 0 HG2 GLU A 38 3.963 -17.551 -1.357 1.00 52.42 H new ATOM 0 HG3 GLU A 38 2.276 -18.028 -1.362 1.00 52.42 H new ATOM 640 N ALA A 39 3.010 -12.889 -1.265 1.00 13.53 N ATOM 641 CA ALA A 39 2.496 -11.534 -1.236 1.00 32.21 C ATOM 642 C ALA A 39 3.327 -10.636 -2.141 1.00 1.13 C ATOM 643 O ALA A 39 2.786 -9.841 -2.899 1.00 43.42 O ATOM 644 CB ALA A 39 2.487 -11.001 0.190 1.00 62.54 C ATOM 0 H ALA A 39 3.317 -13.243 -0.359 1.00 13.53 H new ATOM 0 HA ALA A 39 1.470 -11.540 -1.605 1.00 32.21 H new ATOM 0 HB1 ALA A 39 2.098 -9.983 0.195 1.00 62.54 H new ATOM 0 HB2 ALA A 39 1.854 -11.634 0.811 1.00 62.54 H new ATOM 0 HB3 ALA A 39 3.503 -11.004 0.586 1.00 62.54 H new ATOM 650 N LEU A 40 4.647 -10.793 -2.069 1.00 65.45 N ATOM 651 CA LEU A 40 5.576 -10.015 -2.887 1.00 65.01 C ATOM 652 C LEU A 40 5.318 -10.258 -4.376 1.00 3.52 C ATOM 653 O LEU A 40 5.283 -9.312 -5.173 1.00 70.54 O ATOM 654 CB LEU A 40 7.036 -10.366 -2.501 1.00 31.32 C ATOM 655 CG LEU A 40 8.171 -9.588 -3.208 1.00 34.34 C ATOM 656 CD1 LEU A 40 8.481 -10.175 -4.577 1.00 45.13 C ATOM 657 CD2 LEU A 40 7.822 -8.108 -3.329 1.00 24.01 C ATOM 0 H LEU A 40 5.102 -11.460 -1.445 1.00 65.45 H new ATOM 0 HA LEU A 40 5.417 -8.954 -2.697 1.00 65.01 H new ATOM 0 HB2 LEU A 40 7.145 -10.216 -1.427 1.00 31.32 H new ATOM 0 HB3 LEU A 40 7.188 -11.428 -2.692 1.00 31.32 H new ATOM 0 HG LEU A 40 9.065 -9.684 -2.592 1.00 34.34 H new ATOM 0 HD11 LEU A 40 9.283 -9.604 -5.045 1.00 45.13 H new ATOM 0 HD12 LEU A 40 8.793 -11.214 -4.465 1.00 45.13 H new ATOM 0 HD13 LEU A 40 7.590 -10.129 -5.203 1.00 45.13 H new ATOM 0 HD21 LEU A 40 8.635 -7.582 -3.829 1.00 24.01 H new ATOM 0 HD22 LEU A 40 6.906 -7.996 -3.910 1.00 24.01 H new ATOM 0 HD23 LEU A 40 7.675 -7.686 -2.335 1.00 24.01 H new ATOM 669 N GLU A 41 5.128 -11.520 -4.740 1.00 3.31 N ATOM 670 CA GLU A 41 4.847 -11.897 -6.125 1.00 41.33 C ATOM 671 C GLU A 41 3.601 -11.177 -6.630 1.00 1.40 C ATOM 672 O GLU A 41 3.582 -10.635 -7.743 1.00 0.20 O ATOM 673 CB GLU A 41 4.654 -13.410 -6.233 1.00 72.40 C ATOM 674 CG GLU A 41 5.866 -14.217 -5.808 1.00 54.04 C ATOM 675 CD GLU A 41 7.048 -14.027 -6.732 1.00 52.42 C ATOM 676 OE1 GLU A 41 7.792 -13.043 -6.564 1.00 71.51 O ATOM 677 OE2 GLU A 41 7.240 -14.868 -7.631 1.00 44.54 O ATOM 0 H GLU A 41 5.163 -12.307 -4.092 1.00 3.31 H new ATOM 0 HA GLU A 41 5.697 -11.603 -6.742 1.00 41.33 H new ATOM 0 HB2 GLU A 41 3.802 -13.702 -5.619 1.00 72.40 H new ATOM 0 HB3 GLU A 41 4.406 -13.662 -7.264 1.00 72.40 H new ATOM 0 HG2 GLU A 41 6.152 -13.930 -4.796 1.00 54.04 H new ATOM 0 HG3 GLU A 41 5.601 -15.274 -5.777 1.00 54.04 H new ATOM 684 N LEU A 42 2.571 -11.164 -5.799 1.00 44.10 N ATOM 685 CA LEU A 42 1.325 -10.491 -6.130 1.00 2.23 C ATOM 686 C LEU A 42 1.522 -8.980 -6.185 1.00 11.22 C ATOM 687 O LEU A 42 0.975 -8.312 -7.060 1.00 52.02 O ATOM 688 CB LEU A 42 0.221 -10.854 -5.121 1.00 75.14 C ATOM 689 CG LEU A 42 -0.588 -12.134 -5.419 1.00 61.22 C ATOM 690 CD1 LEU A 42 0.314 -13.353 -5.530 1.00 73.23 C ATOM 691 CD2 LEU A 42 -1.645 -12.353 -4.348 1.00 14.31 C ATOM 0 H LEU A 42 2.574 -11.615 -4.884 1.00 44.10 H new ATOM 0 HA LEU A 42 1.012 -10.832 -7.117 1.00 2.23 H new ATOM 0 HB2 LEU A 42 0.679 -10.961 -4.138 1.00 75.14 H new ATOM 0 HB3 LEU A 42 -0.474 -10.017 -5.060 1.00 75.14 H new ATOM 0 HG LEU A 42 -1.081 -11.998 -6.382 1.00 61.22 H new ATOM 0 HD11 LEU A 42 -0.291 -14.235 -5.740 1.00 73.23 H new ATOM 0 HD12 LEU A 42 1.030 -13.203 -6.338 1.00 73.23 H new ATOM 0 HD13 LEU A 42 0.850 -13.496 -4.592 1.00 73.23 H new ATOM 0 HD21 LEU A 42 -2.207 -13.259 -4.572 1.00 14.31 H new ATOM 0 HD22 LEU A 42 -1.162 -12.456 -3.376 1.00 14.31 H new ATOM 0 HD23 LEU A 42 -2.324 -11.501 -4.327 1.00 14.31 H new ATOM 703 N ILE A 43 2.318 -8.449 -5.253 1.00 32.14 N ATOM 704 CA ILE A 43 2.615 -7.016 -5.212 1.00 13.11 C ATOM 705 C ILE A 43 3.220 -6.556 -6.526 1.00 72.40 C ATOM 706 O ILE A 43 2.761 -5.576 -7.120 1.00 4.14 O ATOM 707 CB ILE A 43 3.569 -6.651 -4.040 1.00 22.44 C ATOM 708 CG1 ILE A 43 2.864 -6.835 -2.692 1.00 74.21 C ATOM 709 CG2 ILE A 43 4.094 -5.223 -4.180 1.00 33.52 C ATOM 710 CD1 ILE A 43 1.665 -5.929 -2.497 1.00 2.31 C ATOM 0 H ILE A 43 2.769 -8.991 -4.516 1.00 32.14 H new ATOM 0 HA ILE A 43 1.669 -6.500 -5.049 1.00 13.11 H new ATOM 0 HB ILE A 43 4.422 -7.328 -4.080 1.00 22.44 H new ATOM 0 HG12 ILE A 43 2.542 -7.872 -2.600 1.00 74.21 H new ATOM 0 HG13 ILE A 43 3.580 -6.651 -1.891 1.00 74.21 H new ATOM 0 HG21 ILE A 43 4.758 -4.996 -3.346 1.00 33.52 H new ATOM 0 HG22 ILE A 43 4.642 -5.127 -5.117 1.00 33.52 H new ATOM 0 HG23 ILE A 43 3.256 -4.525 -4.177 1.00 33.52 H new ATOM 0 HD11 ILE A 43 1.221 -6.119 -1.520 1.00 2.31 H new ATOM 0 HD12 ILE A 43 1.982 -4.888 -2.555 1.00 2.31 H new ATOM 0 HD13 ILE A 43 0.928 -6.128 -3.275 1.00 2.31 H new ATOM 722 N ASN A 44 4.242 -7.270 -6.991 1.00 71.34 N ATOM 723 CA ASN A 44 4.872 -6.941 -8.263 1.00 33.51 C ATOM 724 C ASN A 44 3.853 -6.995 -9.387 1.00 22.33 C ATOM 725 O ASN A 44 3.881 -6.173 -10.301 1.00 61.11 O ATOM 726 CB ASN A 44 6.049 -7.875 -8.562 1.00 24.33 C ATOM 727 CG ASN A 44 7.249 -7.607 -7.675 1.00 44.44 C ATOM 728 OD1 ASN A 44 7.456 -6.485 -7.211 1.00 20.13 O ATOM 729 ND2 ASN A 44 8.054 -8.623 -7.448 1.00 4.04 N ATOM 0 H ASN A 44 4.647 -8.073 -6.510 1.00 71.34 H new ATOM 0 HA ASN A 44 5.263 -5.926 -8.190 1.00 33.51 H new ATOM 0 HB2 ASN A 44 5.729 -8.909 -8.431 1.00 24.33 H new ATOM 0 HB3 ASN A 44 6.341 -7.761 -9.606 1.00 24.33 H new ATOM 0 HD21 ASN A 44 8.884 -8.496 -6.869 1.00 4.04 H new ATOM 0 HD22 ASN A 44 7.848 -9.537 -7.851 1.00 4.04 H new ATOM 736 N GLY A 45 2.936 -7.955 -9.294 1.00 45.22 N ATOM 737 CA GLY A 45 1.885 -8.084 -10.282 1.00 53.53 C ATOM 738 C GLY A 45 1.000 -6.856 -10.327 1.00 14.22 C ATOM 739 O GLY A 45 0.675 -6.356 -11.409 1.00 30.34 O ATOM 0 H GLY A 45 2.905 -8.648 -8.546 1.00 45.22 H new ATOM 0 HA2 GLY A 45 2.328 -8.249 -11.264 1.00 53.53 H new ATOM 0 HA3 GLY A 45 1.279 -8.961 -10.055 1.00 53.53 H new ATOM 743 N TYR A 46 0.622 -6.356 -9.149 1.00 70.32 N ATOM 744 CA TYR A 46 -0.201 -5.153 -9.058 1.00 52.11 C ATOM 745 C TYR A 46 0.543 -3.986 -9.672 1.00 64.22 C ATOM 746 O TYR A 46 -0.015 -3.225 -10.463 1.00 73.40 O ATOM 747 CB TYR A 46 -0.546 -4.822 -7.599 1.00 1.11 C ATOM 748 CG TYR A 46 -1.145 -5.969 -6.815 1.00 53.33 C ATOM 749 CD1 TYR A 46 -2.018 -6.873 -7.409 1.00 44.40 C ATOM 750 CD2 TYR A 46 -0.832 -6.145 -5.475 1.00 41.44 C ATOM 751 CE1 TYR A 46 -2.556 -7.919 -6.687 1.00 63.30 C ATOM 752 CE2 TYR A 46 -1.366 -7.187 -4.748 1.00 14.33 C ATOM 753 CZ TYR A 46 -2.225 -8.071 -5.356 1.00 73.52 C ATOM 754 OH TYR A 46 -2.755 -9.112 -4.634 1.00 62.41 O ATOM 0 H TYR A 46 0.873 -6.765 -8.249 1.00 70.32 H new ATOM 0 HA TYR A 46 -1.130 -5.335 -9.598 1.00 52.11 H new ATOM 0 HB2 TYR A 46 0.359 -4.488 -7.093 1.00 1.11 H new ATOM 0 HB3 TYR A 46 -1.246 -3.986 -7.586 1.00 1.11 H new ATOM 0 HD1 TYR A 46 -2.279 -6.755 -8.450 1.00 44.40 H new ATOM 0 HD2 TYR A 46 -0.158 -5.453 -4.993 1.00 41.44 H new ATOM 0 HE1 TYR A 46 -3.232 -8.615 -7.161 1.00 63.30 H new ATOM 0 HE2 TYR A 46 -1.111 -7.308 -3.706 1.00 14.33 H new ATOM 0 HH TYR A 46 -3.617 -9.372 -5.020 1.00 62.41 H new ATOM 764 N ILE A 47 1.819 -3.867 -9.315 1.00 70.30 N ATOM 765 CA ILE A 47 2.674 -2.814 -9.837 1.00 43.55 C ATOM 766 C ILE A 47 2.714 -2.864 -11.362 1.00 20.44 C ATOM 767 O ILE A 47 2.573 -1.841 -12.023 1.00 53.12 O ATOM 768 CB ILE A 47 4.118 -2.925 -9.275 1.00 12.11 C ATOM 769 CG1 ILE A 47 4.111 -2.740 -7.751 1.00 1.11 C ATOM 770 CG2 ILE A 47 5.036 -1.899 -9.936 1.00 73.31 C ATOM 771 CD1 ILE A 47 5.477 -2.885 -7.109 1.00 22.40 C ATOM 0 H ILE A 47 2.284 -4.495 -8.660 1.00 70.30 H new ATOM 0 HA ILE A 47 2.252 -1.861 -9.517 1.00 43.55 H new ATOM 0 HB ILE A 47 4.501 -3.920 -9.503 1.00 12.11 H new ATOM 0 HG12 ILE A 47 3.713 -1.753 -7.516 1.00 1.11 H new ATOM 0 HG13 ILE A 47 3.433 -3.470 -7.309 1.00 1.11 H new ATOM 0 HG21 ILE A 47 6.042 -1.994 -9.528 1.00 73.31 H new ATOM 0 HG22 ILE A 47 5.063 -2.074 -11.011 1.00 73.31 H new ATOM 0 HG23 ILE A 47 4.659 -0.895 -9.741 1.00 73.31 H new ATOM 0 HD11 ILE A 47 5.390 -2.741 -6.032 1.00 22.40 H new ATOM 0 HD12 ILE A 47 5.870 -3.881 -7.311 1.00 22.40 H new ATOM 0 HD13 ILE A 47 6.154 -2.137 -7.522 1.00 22.40 H new ATOM 783 N GLN A 48 2.881 -4.067 -11.909 1.00 1.52 N ATOM 784 CA GLN A 48 2.918 -4.253 -13.361 1.00 34.43 C ATOM 785 C GLN A 48 1.650 -3.706 -14.007 1.00 23.34 C ATOM 786 O GLN A 48 1.712 -2.918 -14.950 1.00 71.41 O ATOM 787 CB GLN A 48 3.073 -5.738 -13.724 1.00 34.43 C ATOM 788 CG GLN A 48 4.361 -6.386 -13.241 1.00 42.05 C ATOM 789 CD GLN A 48 5.598 -5.682 -13.746 1.00 15.32 C ATOM 790 OE1 GLN A 48 6.092 -5.978 -14.829 1.00 64.50 O ATOM 791 NE2 GLN A 48 6.124 -4.763 -12.956 1.00 71.24 N ATOM 0 H GLN A 48 2.993 -4.926 -11.371 1.00 1.52 H new ATOM 0 HA GLN A 48 3.781 -3.705 -13.739 1.00 34.43 H new ATOM 0 HB2 GLN A 48 2.229 -6.288 -13.308 1.00 34.43 H new ATOM 0 HB3 GLN A 48 3.017 -5.839 -14.808 1.00 34.43 H new ATOM 0 HG2 GLN A 48 4.372 -6.392 -12.151 1.00 42.05 H new ATOM 0 HG3 GLN A 48 4.383 -7.426 -13.566 1.00 42.05 H new ATOM 0 HE21 GLN A 48 5.683 -4.545 -12.062 1.00 71.24 H new ATOM 0 HE22 GLN A 48 6.971 -4.271 -13.240 1.00 71.24 H new ATOM 800 N LYS A 49 0.505 -4.101 -13.464 1.00 53.44 N ATOM 801 CA LYS A 49 -0.785 -3.689 -13.998 1.00 10.34 C ATOM 802 C LYS A 49 -0.977 -2.179 -13.920 1.00 53.34 C ATOM 803 O LYS A 49 -1.481 -1.564 -14.859 1.00 50.20 O ATOM 804 CB LYS A 49 -1.922 -4.412 -13.275 1.00 4.22 C ATOM 805 CG LYS A 49 -1.918 -5.913 -13.498 1.00 43.11 C ATOM 806 CD LYS A 49 -3.120 -6.582 -12.857 1.00 14.20 C ATOM 807 CE LYS A 49 -3.130 -8.076 -13.138 1.00 43.33 C ATOM 808 NZ LYS A 49 -3.204 -8.374 -14.593 1.00 34.14 N ATOM 0 H LYS A 49 0.445 -4.711 -12.648 1.00 53.44 H new ATOM 0 HA LYS A 49 -0.805 -3.967 -15.052 1.00 10.34 H new ATOM 0 HB2 LYS A 49 -1.850 -4.210 -12.206 1.00 4.22 H new ATOM 0 HB3 LYS A 49 -2.875 -4.004 -13.612 1.00 4.22 H new ATOM 0 HG2 LYS A 49 -1.914 -6.121 -14.568 1.00 43.11 H new ATOM 0 HG3 LYS A 49 -1.003 -6.339 -13.087 1.00 43.11 H new ATOM 0 HD2 LYS A 49 -3.104 -6.412 -11.781 1.00 14.20 H new ATOM 0 HD3 LYS A 49 -4.037 -6.131 -13.237 1.00 14.20 H new ATOM 0 HE2 LYS A 49 -2.230 -8.528 -12.722 1.00 43.33 H new ATOM 0 HE3 LYS A 49 -3.980 -8.533 -12.632 1.00 43.33 H new ATOM 0 HZ1 LYS A 49 -3.974 -9.050 -14.770 1.00 34.14 H new ATOM 0 HZ2 LYS A 49 -3.387 -7.495 -15.118 1.00 34.14 H new ATOM 0 HZ3 LYS A 49 -2.303 -8.785 -14.909 1.00 34.14 H new ATOM 822 N ILE A 50 -0.574 -1.582 -12.810 1.00 24.11 N ATOM 823 CA ILE A 50 -0.709 -0.140 -12.632 1.00 72.23 C ATOM 824 C ILE A 50 0.222 0.619 -13.582 1.00 41.40 C ATOM 825 O ILE A 50 -0.178 1.613 -14.193 1.00 64.54 O ATOM 826 CB ILE A 50 -0.431 0.281 -11.166 1.00 53.11 C ATOM 827 CG1 ILE A 50 -1.428 -0.405 -10.226 1.00 61.34 C ATOM 828 CG2 ILE A 50 -0.514 1.800 -11.015 1.00 73.54 C ATOM 829 CD1 ILE A 50 -1.171 -0.145 -8.759 1.00 71.43 C ATOM 0 H ILE A 50 -0.152 -2.069 -12.020 1.00 24.11 H new ATOM 0 HA ILE A 50 -1.741 0.119 -12.870 1.00 72.23 H new ATOM 0 HB ILE A 50 0.578 -0.032 -10.900 1.00 53.11 H new ATOM 0 HG12 ILE A 50 -2.435 -0.068 -10.473 1.00 61.34 H new ATOM 0 HG13 ILE A 50 -1.399 -1.480 -10.404 1.00 61.34 H new ATOM 0 HG21 ILE A 50 -0.316 2.074 -9.979 1.00 73.54 H new ATOM 0 HG22 ILE A 50 0.225 2.271 -11.663 1.00 73.54 H new ATOM 0 HG23 ILE A 50 -1.511 2.140 -11.296 1.00 73.54 H new ATOM 0 HD11 ILE A 50 -1.919 -0.665 -8.161 1.00 71.43 H new ATOM 0 HD12 ILE A 50 -0.178 -0.508 -8.494 1.00 71.43 H new ATOM 0 HD13 ILE A 50 -1.230 0.926 -8.563 1.00 71.43 H new ATOM 841 N LYS A 51 1.454 0.135 -13.717 1.00 32.40 N ATOM 842 CA LYS A 51 2.429 0.762 -14.606 1.00 31.20 C ATOM 843 C LYS A 51 1.962 0.702 -16.057 1.00 35.14 C ATOM 844 O LYS A 51 1.988 1.711 -16.766 1.00 73.24 O ATOM 845 CB LYS A 51 3.801 0.094 -14.470 1.00 11.21 C ATOM 846 CG LYS A 51 4.467 0.287 -13.116 1.00 31.25 C ATOM 847 CD LYS A 51 4.825 1.742 -12.864 1.00 72.12 C ATOM 848 CE LYS A 51 5.554 1.910 -11.538 1.00 60.33 C ATOM 849 NZ LYS A 51 6.844 1.165 -11.506 1.00 30.15 N ATOM 0 H LYS A 51 1.801 -0.688 -13.223 1.00 32.40 H new ATOM 0 HA LYS A 51 2.519 1.808 -14.312 1.00 31.20 H new ATOM 0 HB2 LYS A 51 3.691 -0.974 -14.657 1.00 11.21 H new ATOM 0 HB3 LYS A 51 4.460 0.487 -15.244 1.00 11.21 H new ATOM 0 HG2 LYS A 51 3.799 -0.064 -12.329 1.00 31.25 H new ATOM 0 HG3 LYS A 51 5.369 -0.323 -13.065 1.00 31.25 H new ATOM 0 HD2 LYS A 51 5.452 2.110 -13.676 1.00 72.12 H new ATOM 0 HD3 LYS A 51 3.918 2.347 -12.862 1.00 72.12 H new ATOM 0 HE2 LYS A 51 5.743 2.969 -11.361 1.00 60.33 H new ATOM 0 HE3 LYS A 51 4.915 1.561 -10.727 1.00 60.33 H new ATOM 0 HZ1 LYS A 51 7.420 1.501 -10.708 1.00 30.15 H new ATOM 0 HZ2 LYS A 51 6.655 0.149 -11.392 1.00 30.15 H new ATOM 0 HZ3 LYS A 51 7.359 1.324 -12.395 1.00 30.15 H new ATOM 863 N SER A 52 1.531 -0.478 -16.489 1.00 13.31 N ATOM 864 CA SER A 52 1.055 -0.668 -17.851 1.00 3.55 C ATOM 865 C SER A 52 -0.256 0.089 -18.093 1.00 10.43 C ATOM 866 O SER A 52 -0.512 0.567 -19.203 1.00 33.22 O ATOM 867 CB SER A 52 0.879 -2.157 -18.142 1.00 71.11 C ATOM 868 OG SER A 52 2.102 -2.855 -17.940 1.00 0.12 O ATOM 0 H SER A 52 1.502 -1.319 -15.912 1.00 13.31 H new ATOM 0 HA SER A 52 1.802 -0.261 -18.533 1.00 3.55 H new ATOM 0 HB2 SER A 52 0.107 -2.571 -17.494 1.00 71.11 H new ATOM 0 HB3 SER A 52 0.541 -2.295 -19.169 1.00 71.11 H new ATOM 0 HG SER A 52 2.233 -3.015 -16.982 1.00 0.12 H new ATOM 874 N GLY A 53 -1.073 0.204 -17.057 1.00 15.14 N ATOM 875 CA GLY A 53 -2.324 0.928 -17.178 1.00 23.35 C ATOM 876 C GLY A 53 -3.521 0.010 -17.290 1.00 34.31 C ATOM 877 O GLY A 53 -4.574 0.411 -17.786 1.00 54.01 O ATOM 0 H GLY A 53 -0.893 -0.191 -16.134 1.00 15.14 H new ATOM 0 HA2 GLY A 53 -2.449 1.577 -16.311 1.00 23.35 H new ATOM 0 HA3 GLY A 53 -2.282 1.573 -18.056 1.00 23.35 H new ATOM 881 N GLU A 54 -3.365 -1.223 -16.830 1.00 2.02 N ATOM 882 CA GLU A 54 -4.443 -2.200 -16.865 1.00 4.11 C ATOM 883 C GLU A 54 -5.550 -1.805 -15.900 1.00 64.21 C ATOM 884 O GLU A 54 -6.696 -1.594 -16.300 1.00 3.23 O ATOM 885 CB GLU A 54 -3.921 -3.586 -16.492 1.00 50.31 C ATOM 886 CG GLU A 54 -2.908 -4.163 -17.459 1.00 5.24 C ATOM 887 CD GLU A 54 -2.401 -5.516 -17.008 1.00 33.02 C ATOM 888 OE1 GLU A 54 -3.233 -6.417 -16.756 1.00 61.13 O ATOM 889 OE2 GLU A 54 -1.175 -5.681 -16.879 1.00 75.21 O ATOM 0 H GLU A 54 -2.496 -1.572 -16.426 1.00 2.02 H new ATOM 0 HA GLU A 54 -4.841 -2.227 -17.879 1.00 4.11 H new ATOM 0 HB2 GLU A 54 -3.469 -3.534 -15.502 1.00 50.31 H new ATOM 0 HB3 GLU A 54 -4.766 -4.271 -16.421 1.00 50.31 H new ATOM 0 HG2 GLU A 54 -3.361 -4.256 -18.446 1.00 5.24 H new ATOM 0 HG3 GLU A 54 -2.068 -3.475 -17.557 1.00 5.24 H new ATOM 896 N GLU A 55 -5.189 -1.695 -14.634 1.00 22.32 N ATOM 897 CA GLU A 55 -6.128 -1.346 -13.585 1.00 14.24 C ATOM 898 C GLU A 55 -5.648 -0.130 -12.822 1.00 73.01 C ATOM 899 O GLU A 55 -4.493 0.290 -12.963 1.00 44.14 O ATOM 900 CB GLU A 55 -6.302 -2.513 -12.610 1.00 52.11 C ATOM 901 CG GLU A 55 -7.040 -3.704 -13.186 1.00 2.32 C ATOM 902 CD GLU A 55 -8.475 -3.381 -13.533 1.00 35.12 C ATOM 903 OE1 GLU A 55 -9.290 -3.193 -12.607 1.00 73.42 O ATOM 904 OE2 GLU A 55 -8.802 -3.329 -14.730 1.00 51.13 O ATOM 0 H GLU A 55 -4.235 -1.845 -14.305 1.00 22.32 H new ATOM 0 HA GLU A 55 -7.085 -1.121 -14.055 1.00 14.24 H new ATOM 0 HB2 GLU A 55 -5.318 -2.839 -12.273 1.00 52.11 H new ATOM 0 HB3 GLU A 55 -6.839 -2.159 -11.730 1.00 52.11 H new ATOM 0 HG2 GLU A 55 -6.522 -4.051 -14.080 1.00 2.32 H new ATOM 0 HG3 GLU A 55 -7.019 -4.523 -12.467 1.00 2.32 H new ATOM 911 N ASP A 56 -6.530 0.429 -12.026 1.00 35.15 N ATOM 912 CA ASP A 56 -6.200 1.569 -11.194 1.00 62.02 C ATOM 913 C ASP A 56 -5.728 1.092 -9.837 1.00 73.31 C ATOM 914 O ASP A 56 -5.982 -0.055 -9.455 1.00 71.23 O ATOM 915 CB ASP A 56 -7.413 2.492 -11.023 1.00 63.44 C ATOM 916 CG ASP A 56 -7.829 3.167 -12.308 1.00 33.43 C ATOM 917 OD1 ASP A 56 -7.073 4.030 -12.799 1.00 41.31 O ATOM 918 OD2 ASP A 56 -8.918 2.847 -12.831 1.00 73.50 O ATOM 0 H ASP A 56 -7.494 0.109 -11.935 1.00 35.15 H new ATOM 0 HA ASP A 56 -5.404 2.132 -11.682 1.00 62.02 H new ATOM 0 HB2 ASP A 56 -8.251 1.913 -10.636 1.00 63.44 H new ATOM 0 HB3 ASP A 56 -7.181 3.253 -10.278 1.00 63.44 H new ATOM 923 N PHE A 57 -5.058 1.966 -9.104 1.00 52.15 N ATOM 924 CA PHE A 57 -4.566 1.625 -7.778 1.00 21.21 C ATOM 925 C PHE A 57 -5.741 1.306 -6.866 1.00 32.11 C ATOM 926 O PHE A 57 -5.742 0.298 -6.162 1.00 43.50 O ATOM 927 CB PHE A 57 -3.746 2.785 -7.196 1.00 24.12 C ATOM 928 CG PHE A 57 -3.037 2.453 -5.907 1.00 31.24 C ATOM 929 CD1 PHE A 57 -3.707 2.496 -4.694 1.00 32.42 C ATOM 930 CD2 PHE A 57 -1.699 2.101 -5.913 1.00 71.02 C ATOM 931 CE1 PHE A 57 -3.055 2.192 -3.517 1.00 52.40 C ATOM 932 CE2 PHE A 57 -1.043 1.797 -4.740 1.00 13.40 C ATOM 933 CZ PHE A 57 -1.721 1.843 -3.541 1.00 35.42 C ATOM 0 H PHE A 57 -4.842 2.917 -9.404 1.00 52.15 H new ATOM 0 HA PHE A 57 -3.920 0.750 -7.853 1.00 21.21 H new ATOM 0 HB2 PHE A 57 -3.008 3.100 -7.934 1.00 24.12 H new ATOM 0 HB3 PHE A 57 -4.408 3.634 -7.026 1.00 24.12 H new ATOM 0 HD1 PHE A 57 -4.751 2.771 -4.670 1.00 32.42 H new ATOM 0 HD2 PHE A 57 -1.162 2.064 -6.849 1.00 71.02 H new ATOM 0 HE1 PHE A 57 -3.588 2.227 -2.578 1.00 52.40 H new ATOM 0 HE2 PHE A 57 0.001 1.523 -4.760 1.00 13.40 H new ATOM 0 HZ PHE A 57 -1.208 1.606 -2.621 1.00 35.42 H new ATOM 943 N GLU A 58 -6.748 2.167 -6.912 1.00 53.32 N ATOM 944 CA GLU A 58 -7.953 2.006 -6.113 1.00 32.01 C ATOM 945 C GLU A 58 -8.670 0.702 -6.462 1.00 23.42 C ATOM 946 O GLU A 58 -9.222 0.034 -5.587 1.00 54.54 O ATOM 947 CB GLU A 58 -8.881 3.200 -6.343 1.00 34.23 C ATOM 948 CG GLU A 58 -8.295 4.529 -5.891 1.00 63.30 C ATOM 949 CD GLU A 58 -9.064 5.717 -6.427 1.00 40.41 C ATOM 950 OE1 GLU A 58 -10.022 6.160 -5.769 1.00 14.32 O ATOM 951 OE2 GLU A 58 -8.713 6.212 -7.521 1.00 74.43 O ATOM 0 H GLU A 58 -6.752 2.997 -7.505 1.00 53.32 H new ATOM 0 HA GLU A 58 -7.672 1.963 -5.061 1.00 32.01 H new ATOM 0 HB2 GLU A 58 -9.122 3.262 -7.404 1.00 34.23 H new ATOM 0 HB3 GLU A 58 -9.818 3.028 -5.813 1.00 34.23 H new ATOM 0 HG2 GLU A 58 -8.288 4.567 -4.802 1.00 63.30 H new ATOM 0 HG3 GLU A 58 -7.258 4.595 -6.219 1.00 63.30 H new ATOM 958 N SER A 59 -8.636 0.339 -7.743 1.00 41.33 N ATOM 959 CA SER A 59 -9.283 -0.878 -8.224 1.00 14.31 C ATOM 960 C SER A 59 -8.657 -2.117 -7.583 1.00 13.01 C ATOM 961 O SER A 59 -9.355 -3.055 -7.196 1.00 71.25 O ATOM 962 CB SER A 59 -9.174 -0.965 -9.755 1.00 14.04 C ATOM 963 OG SER A 59 -9.916 -2.062 -10.273 1.00 15.05 O ATOM 0 H SER A 59 -8.163 0.876 -8.470 1.00 41.33 H new ATOM 0 HA SER A 59 -10.335 -0.840 -7.942 1.00 14.31 H new ATOM 0 HB2 SER A 59 -9.537 -0.038 -10.199 1.00 14.04 H new ATOM 0 HB3 SER A 59 -8.127 -1.067 -10.040 1.00 14.04 H new ATOM 0 HG SER A 59 -9.481 -2.397 -11.085 1.00 15.05 H new ATOM 969 N LEU A 60 -7.342 -2.106 -7.459 1.00 55.13 N ATOM 970 CA LEU A 60 -6.630 -3.230 -6.881 1.00 64.31 C ATOM 971 C LEU A 60 -6.683 -3.179 -5.358 1.00 42.33 C ATOM 972 O LEU A 60 -6.744 -4.218 -4.693 1.00 42.31 O ATOM 973 CB LEU A 60 -5.179 -3.248 -7.368 1.00 60.23 C ATOM 974 CG LEU A 60 -4.995 -3.341 -8.890 1.00 55.52 C ATOM 975 CD1 LEU A 60 -3.524 -3.304 -9.255 1.00 33.32 C ATOM 976 CD2 LEU A 60 -5.644 -4.604 -9.435 1.00 20.33 C ATOM 0 H LEU A 60 -6.746 -1.331 -7.751 1.00 55.13 H new ATOM 0 HA LEU A 60 -7.117 -4.149 -7.207 1.00 64.31 H new ATOM 0 HB2 LEU A 60 -4.684 -2.344 -7.014 1.00 60.23 H new ATOM 0 HB3 LEU A 60 -4.669 -4.093 -6.905 1.00 60.23 H new ATOM 0 HG LEU A 60 -5.485 -2.479 -9.343 1.00 55.52 H new ATOM 0 HD11 LEU A 60 -3.416 -3.371 -10.338 1.00 33.32 H new ATOM 0 HD12 LEU A 60 -3.085 -2.370 -8.904 1.00 33.32 H new ATOM 0 HD13 LEU A 60 -3.012 -4.144 -8.786 1.00 33.32 H new ATOM 0 HD21 LEU A 60 -5.502 -4.649 -10.515 1.00 20.33 H new ATOM 0 HD22 LEU A 60 -5.186 -5.478 -8.971 1.00 20.33 H new ATOM 0 HD23 LEU A 60 -6.710 -4.591 -9.210 1.00 20.33 H new ATOM 988 N ALA A 61 -6.679 -1.970 -4.812 1.00 61.03 N ATOM 989 CA ALA A 61 -6.727 -1.774 -3.372 1.00 12.04 C ATOM 990 C ALA A 61 -8.021 -2.322 -2.784 1.00 72.12 C ATOM 991 O ALA A 61 -7.995 -3.109 -1.850 1.00 12.45 O ATOM 992 CB ALA A 61 -6.570 -0.299 -3.028 1.00 62.44 C ATOM 0 H ALA A 61 -6.643 -1.105 -5.351 1.00 61.03 H new ATOM 0 HA ALA A 61 -5.897 -2.326 -2.932 1.00 12.04 H new ATOM 0 HB1 ALA A 61 -6.608 -0.172 -1.946 1.00 62.44 H new ATOM 0 HB2 ALA A 61 -5.612 0.062 -3.402 1.00 62.44 H new ATOM 0 HB3 ALA A 61 -7.377 0.270 -3.489 1.00 62.44 H new ATOM 998 N SER A 62 -9.144 -1.929 -3.365 1.00 43.55 N ATOM 999 CA SER A 62 -10.463 -2.350 -2.888 1.00 71.04 C ATOM 1000 C SER A 62 -10.768 -3.832 -3.189 1.00 0.43 C ATOM 1001 O SER A 62 -11.923 -4.254 -3.131 1.00 20.53 O ATOM 1002 CB SER A 62 -11.542 -1.457 -3.499 1.00 2.31 C ATOM 1003 OG SER A 62 -11.344 -0.098 -3.129 1.00 3.15 O ATOM 0 H SER A 62 -9.173 -1.312 -4.177 1.00 43.55 H new ATOM 0 HA SER A 62 -10.459 -2.245 -1.803 1.00 71.04 H new ATOM 0 HB2 SER A 62 -11.524 -1.549 -4.585 1.00 2.31 H new ATOM 0 HB3 SER A 62 -12.526 -1.789 -3.167 1.00 2.31 H new ATOM 0 HG SER A 62 -11.334 -0.023 -2.152 1.00 3.15 H new ATOM 1009 N GLN A 63 -9.742 -4.618 -3.486 1.00 74.25 N ATOM 1010 CA GLN A 63 -9.934 -6.033 -3.778 1.00 50.10 C ATOM 1011 C GLN A 63 -8.848 -6.891 -3.156 1.00 11.42 C ATOM 1012 O GLN A 63 -9.134 -7.811 -2.395 1.00 41.01 O ATOM 1013 CB GLN A 63 -9.950 -6.284 -5.290 1.00 24.54 C ATOM 1014 CG GLN A 63 -11.163 -5.741 -6.018 1.00 63.03 C ATOM 1015 CD GLN A 63 -11.106 -6.012 -7.513 1.00 64.23 C ATOM 1016 OE1 GLN A 63 -9.911 -6.021 -8.069 1.00 21.04 O flip ATOM 1017 NE2 GLN A 63 -12.134 -6.198 -8.164 1.00 4.14 N flip ATOM 0 H GLN A 63 -8.773 -4.303 -3.531 1.00 74.25 H new ATOM 0 HA GLN A 63 -10.895 -6.311 -3.346 1.00 50.10 H new ATOM 0 HB2 GLN A 63 -9.055 -5.840 -5.726 1.00 24.54 H new ATOM 0 HB3 GLN A 63 -9.891 -7.358 -5.465 1.00 24.54 H new ATOM 0 HG2 GLN A 63 -12.065 -6.191 -5.603 1.00 63.03 H new ATOM 0 HG3 GLN A 63 -11.236 -4.667 -5.848 1.00 63.03 H new ATOM 0 HE21 GLN A 63 -13.042 -6.184 -7.699 1.00 4.14 H new ATOM 0 HE22 GLN A 63 -12.078 -6.366 -9.168 1.00 4.14 H new ATOM 1026 N PHE A 64 -7.608 -6.583 -3.483 1.00 53.11 N ATOM 1027 CA PHE A 64 -6.483 -7.404 -3.067 1.00 64.34 C ATOM 1028 C PHE A 64 -5.909 -6.982 -1.727 1.00 33.22 C ATOM 1029 O PHE A 64 -5.097 -7.693 -1.149 1.00 73.34 O ATOM 1030 CB PHE A 64 -5.409 -7.395 -4.142 1.00 72.15 C ATOM 1031 CG PHE A 64 -5.894 -7.935 -5.457 1.00 72.02 C ATOM 1032 CD1 PHE A 64 -5.914 -9.299 -5.693 1.00 53.43 C ATOM 1033 CD2 PHE A 64 -6.342 -7.081 -6.450 1.00 1.34 C ATOM 1034 CE1 PHE A 64 -6.368 -9.799 -6.896 1.00 15.41 C ATOM 1035 CE2 PHE A 64 -6.800 -7.575 -7.651 1.00 2.15 C ATOM 1036 CZ PHE A 64 -6.812 -8.937 -7.875 1.00 50.10 C ATOM 0 H PHE A 64 -7.351 -5.767 -4.038 1.00 53.11 H new ATOM 0 HA PHE A 64 -6.855 -8.420 -2.935 1.00 64.34 H new ATOM 0 HB2 PHE A 64 -5.052 -6.375 -4.283 1.00 72.15 H new ATOM 0 HB3 PHE A 64 -4.558 -7.986 -3.804 1.00 72.15 H new ATOM 0 HD1 PHE A 64 -5.571 -9.979 -4.927 1.00 53.43 H new ATOM 0 HD2 PHE A 64 -6.332 -6.014 -6.281 1.00 1.34 H new ATOM 0 HE1 PHE A 64 -6.375 -10.865 -7.070 1.00 15.41 H new ATOM 0 HE2 PHE A 64 -7.149 -6.898 -8.416 1.00 2.15 H new ATOM 0 HZ PHE A 64 -7.169 -9.327 -8.817 1.00 50.10 H new ATOM 1046 N SER A 65 -6.313 -5.829 -1.239 1.00 5.13 N ATOM 1047 CA SER A 65 -5.861 -5.397 0.058 1.00 51.11 C ATOM 1048 C SER A 65 -6.717 -6.073 1.115 1.00 24.00 C ATOM 1049 O SER A 65 -7.907 -5.784 1.241 1.00 64.05 O ATOM 1050 CB SER A 65 -5.930 -3.872 0.190 1.00 30.45 C ATOM 1051 OG SER A 65 -5.222 -3.422 1.336 1.00 65.02 O ATOM 0 H SER A 65 -6.944 -5.185 -1.715 1.00 5.13 H new ATOM 0 HA SER A 65 -4.817 -5.680 0.192 1.00 51.11 H new ATOM 0 HB2 SER A 65 -5.513 -3.408 -0.704 1.00 30.45 H new ATOM 0 HB3 SER A 65 -6.971 -3.557 0.256 1.00 30.45 H new ATOM 0 HG SER A 65 -4.579 -4.108 1.614 1.00 65.02 H new ATOM 1057 N ASP A 66 -6.112 -6.999 1.841 1.00 71.43 N ATOM 1058 CA ASP A 66 -6.815 -7.780 2.858 1.00 2.42 C ATOM 1059 C ASP A 66 -7.270 -6.901 4.020 1.00 53.05 C ATOM 1060 O ASP A 66 -8.232 -7.227 4.725 1.00 31.41 O ATOM 1061 CB ASP A 66 -5.912 -8.894 3.400 1.00 25.20 C ATOM 1062 CG ASP A 66 -5.245 -9.713 2.322 1.00 32.02 C ATOM 1063 OD1 ASP A 66 -5.882 -10.652 1.783 1.00 14.34 O ATOM 1064 OD2 ASP A 66 -4.064 -9.439 2.025 1.00 54.44 O ATOM 0 H ASP A 66 -5.124 -7.233 1.746 1.00 71.43 H new ATOM 0 HA ASP A 66 -7.693 -8.216 2.381 1.00 2.42 H new ATOM 0 HB2 ASP A 66 -5.144 -8.451 4.035 1.00 25.20 H new ATOM 0 HB3 ASP A 66 -6.505 -9.555 4.032 1.00 25.20 H new ATOM 1069 N ALA A 67 -6.577 -5.796 4.222 1.00 31.12 N ATOM 1070 CA ALA A 67 -6.892 -4.894 5.317 1.00 62.42 C ATOM 1071 C ALA A 67 -8.007 -3.922 4.942 1.00 44.13 C ATOM 1072 O ALA A 67 -8.540 -3.959 3.831 1.00 2.23 O ATOM 1073 CB ALA A 67 -5.649 -4.132 5.745 1.00 11.44 C ATOM 0 H ALA A 67 -5.792 -5.500 3.642 1.00 31.12 H new ATOM 0 HA ALA A 67 -7.246 -5.497 6.153 1.00 62.42 H new ATOM 0 HB1 ALA A 67 -5.899 -3.460 6.566 1.00 11.44 H new ATOM 0 HB2 ALA A 67 -4.885 -4.837 6.073 1.00 11.44 H new ATOM 0 HB3 ALA A 67 -5.270 -3.552 4.904 1.00 11.44 H new ATOM 1079 N SER A 68 -8.342 -3.039 5.874 1.00 62.04 N ATOM 1080 CA SER A 68 -9.399 -2.055 5.685 1.00 45.24 C ATOM 1081 C SER A 68 -9.060 -1.041 4.586 1.00 52.25 C ATOM 1082 O SER A 68 -9.904 -0.232 4.203 1.00 41.23 O ATOM 1083 CB SER A 68 -9.674 -1.340 7.004 1.00 42.32 C ATOM 1084 OG SER A 68 -8.458 -0.996 7.655 1.00 41.33 O ATOM 0 H SER A 68 -7.887 -2.985 6.785 1.00 62.04 H new ATOM 0 HA SER A 68 -10.294 -2.586 5.361 1.00 45.24 H new ATOM 0 HB2 SER A 68 -10.260 -0.440 6.819 1.00 42.32 H new ATOM 0 HB3 SER A 68 -10.270 -1.981 7.653 1.00 42.32 H new ATOM 0 HG SER A 68 -8.657 -0.537 8.498 1.00 41.33 H new ATOM 1090 N SER A 69 -7.832 -1.102 4.078 1.00 55.01 N ATOM 1091 CA SER A 69 -7.392 -0.215 3.015 1.00 54.23 C ATOM 1092 C SER A 69 -8.312 -0.349 1.800 1.00 15.03 C ATOM 1093 O SER A 69 -8.552 0.618 1.080 1.00 61.15 O ATOM 1094 CB SER A 69 -5.954 -0.549 2.627 1.00 5.15 C ATOM 1095 OG SER A 69 -5.121 -0.610 3.777 1.00 33.34 O ATOM 0 H SER A 69 -7.122 -1.764 4.391 1.00 55.01 H new ATOM 0 HA SER A 69 -7.434 0.815 3.370 1.00 54.23 H new ATOM 0 HB2 SER A 69 -5.927 -1.504 2.102 1.00 5.15 H new ATOM 0 HB3 SER A 69 -5.574 0.205 1.937 1.00 5.15 H new ATOM 0 HG SER A 69 -4.720 0.270 3.937 1.00 33.34 H new ATOM 1101 N ALA A 70 -8.837 -1.554 1.604 1.00 34.21 N ATOM 1102 CA ALA A 70 -9.742 -1.845 0.512 1.00 33.14 C ATOM 1103 C ALA A 70 -11.012 -1.000 0.588 1.00 41.24 C ATOM 1104 O ALA A 70 -11.375 -0.323 -0.374 1.00 54.13 O ATOM 1105 CB ALA A 70 -10.098 -3.319 0.521 1.00 63.13 C ATOM 0 H ALA A 70 -8.642 -2.356 2.204 1.00 34.21 H new ATOM 0 HA ALA A 70 -9.235 -1.595 -0.420 1.00 33.14 H new ATOM 0 HB1 ALA A 70 -10.779 -3.534 -0.302 1.00 63.13 H new ATOM 0 HB2 ALA A 70 -9.191 -3.913 0.406 1.00 63.13 H new ATOM 0 HB3 ALA A 70 -10.580 -3.571 1.466 1.00 63.13 H new ATOM 1111 N LYS A 71 -11.675 -1.020 1.743 1.00 63.43 N ATOM 1112 CA LYS A 71 -12.924 -0.280 1.914 1.00 64.55 C ATOM 1113 C LYS A 71 -12.656 1.210 2.125 1.00 71.42 C ATOM 1114 O LYS A 71 -13.581 2.026 2.185 1.00 43.54 O ATOM 1115 CB LYS A 71 -13.761 -0.862 3.066 1.00 1.32 C ATOM 1116 CG LYS A 71 -13.163 -0.677 4.451 1.00 20.31 C ATOM 1117 CD LYS A 71 -14.027 -1.352 5.509 1.00 55.45 C ATOM 1118 CE LYS A 71 -13.543 -1.039 6.916 1.00 3.13 C ATOM 1119 NZ LYS A 71 -13.730 0.391 7.262 1.00 54.02 N ATOM 0 H LYS A 71 -11.371 -1.536 2.569 1.00 63.43 H new ATOM 0 HA LYS A 71 -13.503 -0.388 0.997 1.00 64.55 H new ATOM 0 HB2 LYS A 71 -14.748 -0.399 3.048 1.00 1.32 H new ATOM 0 HB3 LYS A 71 -13.905 -1.928 2.888 1.00 1.32 H new ATOM 0 HG2 LYS A 71 -12.157 -1.095 4.476 1.00 20.31 H new ATOM 0 HG3 LYS A 71 -13.072 0.386 4.674 1.00 20.31 H new ATOM 0 HD2 LYS A 71 -15.060 -1.023 5.398 1.00 55.45 H new ATOM 0 HD3 LYS A 71 -14.017 -2.431 5.353 1.00 55.45 H new ATOM 0 HE2 LYS A 71 -14.083 -1.659 7.632 1.00 3.13 H new ATOM 0 HE3 LYS A 71 -12.488 -1.298 7.003 1.00 3.13 H new ATOM 0 HZ1 LYS A 71 -13.598 0.521 8.285 1.00 54.02 H new ATOM 0 HZ2 LYS A 71 -13.033 0.967 6.747 1.00 54.02 H new ATOM 0 HZ3 LYS A 71 -14.690 0.690 6.996 1.00 54.02 H new ATOM 1133 N ALA A 72 -11.381 1.554 2.233 1.00 24.15 N ATOM 1134 CA ALA A 72 -10.968 2.934 2.352 1.00 54.22 C ATOM 1135 C ALA A 72 -10.624 3.467 0.972 1.00 15.52 C ATOM 1136 O ALA A 72 -10.231 4.620 0.816 1.00 52.21 O ATOM 1137 CB ALA A 72 -9.769 3.054 3.282 1.00 63.12 C ATOM 0 H ALA A 72 -10.612 0.884 2.240 1.00 24.15 H new ATOM 0 HA ALA A 72 -11.782 3.521 2.777 1.00 54.22 H new ATOM 0 HB1 ALA A 72 -9.472 4.100 3.360 1.00 63.12 H new ATOM 0 HB2 ALA A 72 -10.036 2.678 4.270 1.00 63.12 H new ATOM 0 HB3 ALA A 72 -8.940 2.470 2.883 1.00 63.12 H new ATOM 1143 N ARG A 73 -10.759 2.580 -0.026 1.00 53.23 N ATOM 1144 CA ARG A 73 -10.491 2.890 -1.430 1.00 23.32 C ATOM 1145 C ARG A 73 -8.994 3.144 -1.655 1.00 24.25 C ATOM 1146 O ARG A 73 -8.579 3.617 -2.706 1.00 73.12 O ATOM 1147 CB ARG A 73 -11.340 4.093 -1.892 1.00 11.31 C ATOM 1148 CG ARG A 73 -11.459 4.236 -3.403 1.00 11.52 C ATOM 1149 CD ARG A 73 -12.084 2.999 -4.026 1.00 31.45 C ATOM 1150 NE ARG A 73 -12.291 3.146 -5.463 1.00 52.11 N ATOM 1151 CZ ARG A 73 -12.328 2.129 -6.322 1.00 10.41 C ATOM 1152 NH1 ARG A 73 -12.133 0.885 -5.890 1.00 33.14 N ATOM 1153 NH2 ARG A 73 -12.542 2.354 -7.613 1.00 11.41 N ATOM 0 H ARG A 73 -11.061 1.618 0.126 1.00 53.23 H new ATOM 0 HA ARG A 73 -10.775 2.028 -2.034 1.00 23.32 H new ATOM 0 HB2 ARG A 73 -12.340 4.000 -1.468 1.00 11.31 H new ATOM 0 HB3 ARG A 73 -10.905 5.006 -1.486 1.00 11.31 H new ATOM 0 HG2 ARG A 73 -12.064 5.111 -3.641 1.00 11.52 H new ATOM 0 HG3 ARG A 73 -10.472 4.404 -3.834 1.00 11.52 H new ATOM 0 HD2 ARG A 73 -11.442 2.138 -3.840 1.00 31.45 H new ATOM 0 HD3 ARG A 73 -13.039 2.795 -3.543 1.00 31.45 H new ATOM 0 HE ARG A 73 -12.415 4.088 -5.833 1.00 52.11 H new ATOM 0 HH11 ARG A 73 -11.955 0.711 -4.901 1.00 33.14 H new ATOM 0 HH12 ARG A 73 -12.161 0.106 -6.548 1.00 33.14 H new ATOM 0 HH21 ARG A 73 -12.678 3.307 -7.949 1.00 11.41 H new ATOM 0 HH22 ARG A 73 -12.570 1.573 -8.269 1.00 11.41 H new ATOM 1167 N GLY A 74 -8.191 2.804 -0.656 1.00 22.42 N ATOM 1168 CA GLY A 74 -6.761 2.991 -0.748 1.00 13.43 C ATOM 1169 C GLY A 74 -6.326 4.408 -0.418 1.00 40.01 C ATOM 1170 O GLY A 74 -5.310 4.612 0.241 1.00 51.13 O ATOM 0 H GLY A 74 -8.511 2.398 0.224 1.00 22.42 H new ATOM 0 HA2 GLY A 74 -6.265 2.297 -0.069 1.00 13.43 H new ATOM 0 HA3 GLY A 74 -6.431 2.741 -1.756 1.00 13.43 H new ATOM 1174 N ASP A 75 -7.101 5.380 -0.859 1.00 51.04 N ATOM 1175 CA ASP A 75 -6.767 6.791 -0.659 1.00 53.24 C ATOM 1176 C ASP A 75 -6.907 7.214 0.794 1.00 53.33 C ATOM 1177 O ASP A 75 -7.965 7.046 1.403 1.00 43.02 O ATOM 1178 CB ASP A 75 -7.637 7.682 -1.549 1.00 40.24 C ATOM 1179 CG ASP A 75 -7.430 9.164 -1.278 1.00 61.22 C ATOM 1180 OD1 ASP A 75 -6.267 9.620 -1.267 1.00 40.30 O ATOM 1181 OD2 ASP A 75 -8.430 9.883 -1.083 1.00 12.41 O ATOM 0 H ASP A 75 -7.974 5.224 -1.363 1.00 51.04 H new ATOM 0 HA ASP A 75 -5.721 6.913 -0.939 1.00 53.24 H new ATOM 0 HB2 ASP A 75 -7.412 7.473 -2.595 1.00 40.24 H new ATOM 0 HB3 ASP A 75 -8.686 7.431 -1.392 1.00 40.24 H new ATOM 1186 N LEU A 76 -5.829 7.753 1.343 1.00 44.30 N ATOM 1187 CA LEU A 76 -5.824 8.254 2.710 1.00 60.34 C ATOM 1188 C LEU A 76 -6.090 9.743 2.725 1.00 20.22 C ATOM 1189 O LEU A 76 -6.385 10.323 3.771 1.00 30.12 O ATOM 1190 CB LEU A 76 -4.475 7.980 3.385 1.00 74.43 C ATOM 1191 CG LEU A 76 -4.194 6.534 3.773 1.00 30.34 C ATOM 1192 CD1 LEU A 76 -2.772 6.396 4.296 1.00 71.24 C ATOM 1193 CD2 LEU A 76 -5.191 6.064 4.819 1.00 64.40 C ATOM 0 H LEU A 76 -4.938 7.855 0.857 1.00 44.30 H new ATOM 0 HA LEU A 76 -6.611 7.736 3.259 1.00 60.34 H new ATOM 0 HB2 LEU A 76 -3.683 8.314 2.714 1.00 74.43 H new ATOM 0 HB3 LEU A 76 -4.412 8.594 4.284 1.00 74.43 H new ATOM 0 HG LEU A 76 -4.301 5.908 2.887 1.00 30.34 H new ATOM 0 HD11 LEU A 76 -2.584 5.358 4.570 1.00 71.24 H new ATOM 0 HD12 LEU A 76 -2.068 6.700 3.521 1.00 71.24 H new ATOM 0 HD13 LEU A 76 -2.643 7.031 5.172 1.00 71.24 H new ATOM 0 HD21 LEU A 76 -4.977 5.029 5.086 1.00 64.40 H new ATOM 0 HD22 LEU A 76 -5.111 6.692 5.706 1.00 64.40 H new ATOM 0 HD23 LEU A 76 -6.201 6.134 4.416 1.00 64.40 H new ATOM 1205 N GLY A 77 -5.993 10.361 1.563 1.00 33.03 N ATOM 1206 CA GLY A 77 -6.157 11.783 1.479 1.00 62.53 C ATOM 1207 C GLY A 77 -4.874 12.495 1.823 1.00 54.23 C ATOM 1208 O GLY A 77 -3.809 11.876 1.857 1.00 64.05 O ATOM 0 H GLY A 77 -5.803 9.897 0.675 1.00 33.03 H new ATOM 0 HA2 GLY A 77 -6.471 12.058 0.472 1.00 62.53 H new ATOM 0 HA3 GLY A 77 -6.948 12.102 2.158 1.00 62.53 H new ATOM 1212 N ALA A 78 -4.961 13.784 2.070 1.00 73.44 N ATOM 1213 CA ALA A 78 -3.795 14.562 2.431 1.00 13.50 C ATOM 1214 C ALA A 78 -3.489 14.386 3.910 1.00 65.22 C ATOM 1215 O ALA A 78 -4.273 14.807 4.770 1.00 34.15 O ATOM 1216 CB ALA A 78 -4.010 16.031 2.100 1.00 51.41 C ATOM 0 H ALA A 78 -5.830 14.317 2.027 1.00 73.44 H new ATOM 0 HA ALA A 78 -2.943 14.205 1.853 1.00 13.50 H new ATOM 0 HB1 ALA A 78 -3.123 16.600 2.378 1.00 51.41 H new ATOM 0 HB2 ALA A 78 -4.191 16.140 1.031 1.00 51.41 H new ATOM 0 HB3 ALA A 78 -4.871 16.407 2.654 1.00 51.41 H new ATOM 1222 N PHE A 79 -2.369 13.751 4.205 1.00 5.22 N ATOM 1223 CA PHE A 79 -1.978 13.505 5.584 1.00 71.42 C ATOM 1224 C PHE A 79 -0.639 14.150 5.904 1.00 22.22 C ATOM 1225 O PHE A 79 0.134 14.485 5.003 1.00 50.04 O ATOM 1226 CB PHE A 79 -1.949 11.997 5.892 1.00 51.01 C ATOM 1227 CG PHE A 79 -1.073 11.182 4.974 1.00 22.30 C ATOM 1228 CD1 PHE A 79 0.265 10.971 5.272 1.00 32.13 C ATOM 1229 CD2 PHE A 79 -1.594 10.621 3.820 1.00 20.41 C ATOM 1230 CE1 PHE A 79 1.064 10.217 4.434 1.00 43.04 C ATOM 1231 CE2 PHE A 79 -0.801 9.868 2.980 1.00 44.00 C ATOM 1232 CZ PHE A 79 0.530 9.665 3.286 1.00 74.54 C ATOM 0 H PHE A 79 -1.713 13.396 3.509 1.00 5.22 H new ATOM 0 HA PHE A 79 -2.730 13.965 6.225 1.00 71.42 H new ATOM 0 HB2 PHE A 79 -1.607 11.856 6.917 1.00 51.01 H new ATOM 0 HB3 PHE A 79 -2.967 11.610 5.839 1.00 51.01 H new ATOM 0 HD1 PHE A 79 0.687 11.401 6.169 1.00 32.13 H new ATOM 0 HD2 PHE A 79 -2.634 10.775 3.575 1.00 20.41 H new ATOM 0 HE1 PHE A 79 2.105 10.059 4.676 1.00 43.04 H new ATOM 0 HE2 PHE A 79 -1.221 9.437 2.083 1.00 44.00 H new ATOM 0 HZ PHE A 79 1.152 9.076 2.629 1.00 74.54 H new ATOM 1242 N SER A 80 -0.381 14.324 7.186 1.00 13.23 N ATOM 1243 CA SER A 80 0.840 14.948 7.653 1.00 14.43 C ATOM 1244 C SER A 80 1.852 13.890 8.087 1.00 31.42 C ATOM 1245 O SER A 80 1.512 12.716 8.240 1.00 71.34 O ATOM 1246 CB SER A 80 0.516 15.892 8.822 1.00 4.25 C ATOM 1247 OG SER A 80 1.648 16.650 9.210 1.00 65.03 O ATOM 0 H SER A 80 -1.013 14.036 7.933 1.00 13.23 H new ATOM 0 HA SER A 80 1.281 15.523 6.838 1.00 14.43 H new ATOM 0 HB2 SER A 80 -0.292 16.565 8.534 1.00 4.25 H new ATOM 0 HB3 SER A 80 0.158 15.310 9.672 1.00 4.25 H new ATOM 0 HG SER A 80 1.407 17.241 9.954 1.00 65.03 H new ATOM 1253 N ARG A 81 3.092 14.316 8.284 1.00 1.22 N ATOM 1254 CA ARG A 81 4.156 13.419 8.703 1.00 44.54 C ATOM 1255 C ARG A 81 3.982 13.044 10.170 1.00 34.24 C ATOM 1256 O ARG A 81 3.999 13.914 11.048 1.00 63.41 O ATOM 1257 CB ARG A 81 5.522 14.080 8.498 1.00 2.31 C ATOM 1258 CG ARG A 81 5.746 14.616 7.097 1.00 25.33 C ATOM 1259 CD ARG A 81 7.134 15.205 6.935 1.00 51.35 C ATOM 1260 NE ARG A 81 7.320 15.803 5.610 1.00 1.41 N ATOM 1261 CZ ARG A 81 8.469 15.802 4.929 1.00 34.31 C ATOM 1262 NH1 ARG A 81 9.552 15.235 5.439 1.00 75.45 N ATOM 1263 NH2 ARG A 81 8.529 16.371 3.738 1.00 72.34 N ATOM 0 H ARG A 81 3.386 15.285 8.159 1.00 1.22 H new ATOM 0 HA ARG A 81 4.104 12.516 8.095 1.00 44.54 H new ATOM 0 HB2 ARG A 81 5.628 14.898 9.210 1.00 2.31 H new ATOM 0 HB3 ARG A 81 6.303 13.355 8.727 1.00 2.31 H new ATOM 0 HG2 ARG A 81 5.605 13.813 6.374 1.00 25.33 H new ATOM 0 HG3 ARG A 81 4.999 15.379 6.876 1.00 25.33 H new ATOM 0 HD2 ARG A 81 7.300 15.962 7.702 1.00 51.35 H new ATOM 0 HD3 ARG A 81 7.880 14.426 7.090 1.00 51.35 H new ATOM 0 HE ARG A 81 6.514 16.253 5.176 1.00 1.41 H new ATOM 0 HH11 ARG A 81 9.512 14.795 6.358 1.00 75.45 H new ATOM 0 HH12 ARG A 81 10.426 15.239 4.912 1.00 75.45 H new ATOM 0 HH21 ARG A 81 7.699 16.810 3.340 1.00 72.34 H new ATOM 0 HH22 ARG A 81 9.406 16.371 3.216 1.00 72.34 H new ATOM 1277 N GLY A 82 3.802 11.766 10.431 1.00 64.10 N ATOM 1278 CA GLY A 82 3.627 11.310 11.789 1.00 32.44 C ATOM 1279 C GLY A 82 2.308 10.604 11.983 1.00 72.51 C ATOM 1280 O GLY A 82 1.751 10.596 13.085 1.00 42.43 O ATOM 0 H GLY A 82 3.774 11.031 9.724 1.00 64.10 H new ATOM 0 HA2 GLY A 82 4.441 10.635 12.053 1.00 32.44 H new ATOM 0 HA3 GLY A 82 3.686 12.161 12.468 1.00 32.44 H new ATOM 1284 N GLN A 83 1.809 10.004 10.923 1.00 23.32 N ATOM 1285 CA GLN A 83 0.539 9.311 10.967 1.00 23.13 C ATOM 1286 C GLN A 83 0.731 7.811 10.848 1.00 32.21 C ATOM 1287 O GLN A 83 -0.099 7.034 11.320 1.00 51.34 O ATOM 1288 CB GLN A 83 -0.390 9.813 9.858 1.00 72.14 C ATOM 1289 CG GLN A 83 -0.776 11.275 10.004 1.00 60.33 C ATOM 1290 CD GLN A 83 -1.524 11.562 11.296 1.00 50.01 C ATOM 1291 OE1 GLN A 83 -2.325 10.610 11.749 1.00 23.32 O flip ATOM 1292 NE2 GLN A 83 -1.391 12.641 11.871 1.00 32.42 N flip ATOM 0 H GLN A 83 2.268 9.983 10.013 1.00 23.32 H new ATOM 0 HA GLN A 83 0.079 9.522 11.932 1.00 23.13 H new ATOM 0 HB2 GLN A 83 0.098 9.669 8.894 1.00 72.14 H new ATOM 0 HB3 GLN A 83 -1.295 9.206 9.851 1.00 72.14 H new ATOM 0 HG2 GLN A 83 0.124 11.889 9.967 1.00 60.33 H new ATOM 0 HG3 GLN A 83 -1.397 11.568 9.157 1.00 60.33 H new ATOM 0 HE21 GLN A 83 -0.763 13.349 11.489 1.00 32.42 H new ATOM 0 HE22 GLN A 83 -1.908 12.828 12.730 1.00 32.42 H new ATOM 1301 N MET A 84 1.821 7.404 10.233 1.00 35.54 N ATOM 1302 CA MET A 84 2.087 5.993 10.040 1.00 73.01 C ATOM 1303 C MET A 84 3.515 5.656 10.490 1.00 33.12 C ATOM 1304 O MET A 84 4.228 6.525 10.997 1.00 1.23 O ATOM 1305 CB MET A 84 1.867 5.633 8.560 1.00 51.43 C ATOM 1306 CG MET A 84 1.734 4.142 8.281 1.00 65.21 C ATOM 1307 SD MET A 84 0.510 3.341 9.334 1.00 34.35 S ATOM 1308 CE MET A 84 -0.972 4.254 8.891 1.00 33.21 C ATOM 0 H MET A 84 2.536 8.028 9.859 1.00 35.54 H new ATOM 0 HA MET A 84 1.401 5.402 10.648 1.00 73.01 H new ATOM 0 HB2 MET A 84 0.967 6.136 8.208 1.00 51.43 H new ATOM 0 HB3 MET A 84 2.700 6.025 7.977 1.00 51.43 H new ATOM 0 HG2 MET A 84 1.459 3.996 7.236 1.00 65.21 H new ATOM 0 HG3 MET A 84 2.702 3.662 8.427 1.00 65.21 H new ATOM 0 HE1 MET A 84 -1.846 3.753 9.308 1.00 33.21 H new ATOM 0 HE2 MET A 84 -0.909 5.266 9.291 1.00 33.21 H new ATOM 0 HE3 MET A 84 -1.062 4.297 7.806 1.00 33.21 H new ATOM 1318 N GLN A 85 3.909 4.397 10.346 1.00 43.14 N ATOM 1319 CA GLN A 85 5.255 3.963 10.698 1.00 41.24 C ATOM 1320 C GLN A 85 6.283 4.671 9.814 1.00 14.35 C ATOM 1321 O GLN A 85 5.984 5.033 8.673 1.00 24.11 O ATOM 1322 CB GLN A 85 5.381 2.442 10.548 1.00 3.22 C ATOM 1323 CG GLN A 85 4.351 1.656 11.358 1.00 74.51 C ATOM 1324 CD GLN A 85 4.449 1.906 12.858 1.00 44.13 C ATOM 1325 OE1 GLN A 85 5.649 2.132 13.349 1.00 32.33 O flip ATOM 1326 NE2 GLN A 85 3.448 1.874 13.568 1.00 63.34 N flip ATOM 0 H GLN A 85 3.311 3.654 9.985 1.00 43.14 H new ATOM 0 HA GLN A 85 5.447 4.225 11.738 1.00 41.24 H new ATOM 0 HB2 GLN A 85 5.278 2.180 9.495 1.00 3.22 H new ATOM 0 HB3 GLN A 85 6.381 2.137 10.856 1.00 3.22 H new ATOM 0 HG2 GLN A 85 3.350 1.922 11.017 1.00 74.51 H new ATOM 0 HG3 GLN A 85 4.482 0.591 11.164 1.00 74.51 H new ATOM 0 HE21 GLN A 85 2.534 1.696 13.153 1.00 63.34 H new ATOM 0 HE22 GLN A 85 3.531 2.025 14.573 1.00 63.34 H new ATOM 1335 N LYS A 86 7.490 4.853 10.334 1.00 42.41 N ATOM 1336 CA LYS A 86 8.539 5.575 9.618 1.00 1.01 C ATOM 1337 C LYS A 86 8.862 4.967 8.230 1.00 4.03 C ATOM 1338 O LYS A 86 8.948 5.706 7.259 1.00 13.42 O ATOM 1339 CB LYS A 86 9.806 5.719 10.474 1.00 13.24 C ATOM 1340 CG LYS A 86 10.847 6.663 9.881 1.00 41.14 C ATOM 1341 CD LYS A 86 10.238 8.025 9.558 1.00 64.31 C ATOM 1342 CE LYS A 86 11.287 9.020 9.090 1.00 71.24 C ATOM 1343 NZ LYS A 86 12.186 9.441 10.192 1.00 23.41 N ATOM 0 H LYS A 86 7.770 4.510 11.253 1.00 42.41 H new ATOM 0 HA LYS A 86 8.142 6.572 9.427 1.00 1.01 H new ATOM 0 HB2 LYS A 86 9.525 6.079 11.464 1.00 13.24 H new ATOM 0 HB3 LYS A 86 10.256 4.735 10.608 1.00 13.24 H new ATOM 0 HG2 LYS A 86 11.671 6.788 10.584 1.00 41.14 H new ATOM 0 HG3 LYS A 86 11.265 6.225 8.975 1.00 41.14 H new ATOM 0 HD2 LYS A 86 9.478 7.909 8.785 1.00 64.31 H new ATOM 0 HD3 LYS A 86 9.736 8.417 10.442 1.00 64.31 H new ATOM 0 HE2 LYS A 86 11.878 8.574 8.290 1.00 71.24 H new ATOM 0 HE3 LYS A 86 10.793 9.896 8.670 1.00 71.24 H new ATOM 0 HZ1 LYS A 86 12.797 10.217 9.865 1.00 23.41 H new ATOM 0 HZ2 LYS A 86 11.617 9.765 11.000 1.00 23.41 H new ATOM 0 HZ3 LYS A 86 12.776 8.636 10.485 1.00 23.41 H new ATOM 1357 N PRO A 87 9.045 3.614 8.104 1.00 75.00 N ATOM 1358 CA PRO A 87 9.315 2.974 6.794 1.00 61.42 C ATOM 1359 C PRO A 87 8.239 3.304 5.751 1.00 73.00 C ATOM 1360 O PRO A 87 8.480 3.238 4.545 1.00 22.34 O ATOM 1361 CB PRO A 87 9.292 1.478 7.117 1.00 74.33 C ATOM 1362 CG PRO A 87 9.649 1.399 8.557 1.00 5.42 C ATOM 1363 CD PRO A 87 9.052 2.618 9.200 1.00 34.01 C ATOM 0 HA PRO A 87 10.254 3.319 6.361 1.00 61.42 H new ATOM 0 HB2 PRO A 87 8.309 1.047 6.928 1.00 74.33 H new ATOM 0 HB3 PRO A 87 10.004 0.929 6.501 1.00 74.33 H new ATOM 0 HG2 PRO A 87 9.255 0.488 9.007 1.00 5.42 H new ATOM 0 HG3 PRO A 87 10.731 1.378 8.690 1.00 5.42 H new ATOM 0 HD2 PRO A 87 8.046 2.424 9.573 1.00 34.01 H new ATOM 0 HD3 PRO A 87 9.647 2.957 10.048 1.00 34.01 H new ATOM 1371 N PHE A 88 7.060 3.661 6.228 1.00 2.02 N ATOM 1372 CA PHE A 88 5.954 4.025 5.362 1.00 71.35 C ATOM 1373 C PHE A 88 6.009 5.523 5.062 1.00 52.33 C ATOM 1374 O PHE A 88 5.953 5.937 3.904 1.00 74.41 O ATOM 1375 CB PHE A 88 4.624 3.665 6.046 1.00 13.23 C ATOM 1376 CG PHE A 88 3.390 3.897 5.206 1.00 70.53 C ATOM 1377 CD1 PHE A 88 2.846 5.168 5.076 1.00 42.53 C ATOM 1378 CD2 PHE A 88 2.765 2.839 4.567 1.00 73.24 C ATOM 1379 CE1 PHE A 88 1.709 5.377 4.323 1.00 34.11 C ATOM 1380 CE2 PHE A 88 1.627 3.043 3.811 1.00 34.11 C ATOM 1381 CZ PHE A 88 1.099 4.314 3.689 1.00 45.54 C ATOM 0 H PHE A 88 6.843 3.707 7.224 1.00 2.02 H new ATOM 0 HA PHE A 88 6.028 3.475 4.424 1.00 71.35 H new ATOM 0 HB2 PHE A 88 4.655 2.615 6.337 1.00 13.23 H new ATOM 0 HB3 PHE A 88 4.535 4.247 6.963 1.00 13.23 H new ATOM 0 HD1 PHE A 88 3.319 6.004 5.571 1.00 42.53 H new ATOM 0 HD2 PHE A 88 3.172 1.843 4.661 1.00 73.24 H new ATOM 0 HE1 PHE A 88 1.297 6.371 4.230 1.00 34.11 H new ATOM 0 HE2 PHE A 88 1.150 2.210 3.316 1.00 34.11 H new ATOM 0 HZ PHE A 88 0.210 4.475 3.098 1.00 45.54 H new ATOM 1391 N GLU A 89 6.151 6.317 6.123 1.00 33.14 N ATOM 1392 CA GLU A 89 6.199 7.779 6.023 1.00 54.34 C ATOM 1393 C GLU A 89 7.384 8.234 5.167 1.00 73.21 C ATOM 1394 O GLU A 89 7.327 9.264 4.487 1.00 35.20 O ATOM 1395 CB GLU A 89 6.333 8.387 7.420 1.00 52.13 C ATOM 1396 CG GLU A 89 5.488 9.626 7.639 1.00 55.11 C ATOM 1397 CD GLU A 89 4.043 9.289 7.933 1.00 71.14 C ATOM 1398 OE1 GLU A 89 3.298 8.988 6.996 1.00 2.03 O ATOM 1399 OE2 GLU A 89 3.659 9.328 9.128 1.00 44.40 O ATOM 0 H GLU A 89 6.236 5.967 7.077 1.00 33.14 H new ATOM 0 HA GLU A 89 5.275 8.116 5.552 1.00 54.34 H new ATOM 0 HB2 GLU A 89 6.056 7.636 8.160 1.00 52.13 H new ATOM 0 HB3 GLU A 89 7.379 8.638 7.597 1.00 52.13 H new ATOM 0 HG2 GLU A 89 5.900 10.203 8.467 1.00 55.11 H new ATOM 0 HG3 GLU A 89 5.538 10.259 6.753 1.00 55.11 H new ATOM 1406 N ASP A 90 8.459 7.468 5.222 1.00 52.24 N ATOM 1407 CA ASP A 90 9.665 7.766 4.461 1.00 4.03 C ATOM 1408 C ASP A 90 9.425 7.589 2.969 1.00 71.42 C ATOM 1409 O ASP A 90 10.041 8.263 2.150 1.00 11.12 O ATOM 1410 CB ASP A 90 10.816 6.860 4.915 1.00 51.21 C ATOM 1411 CG ASP A 90 12.081 7.070 4.107 1.00 72.45 C ATOM 1412 OD1 ASP A 90 12.820 8.033 4.392 1.00 74.32 O ATOM 1413 OD2 ASP A 90 12.350 6.270 3.191 1.00 42.53 O ATOM 0 H ASP A 90 8.523 6.625 5.792 1.00 52.24 H new ATOM 0 HA ASP A 90 9.933 8.806 4.646 1.00 4.03 H new ATOM 0 HB2 ASP A 90 11.027 7.048 5.968 1.00 51.21 H new ATOM 0 HB3 ASP A 90 10.507 5.818 4.833 1.00 51.21 H new ATOM 1418 N ALA A 91 8.514 6.701 2.628 1.00 44.11 N ATOM 1419 CA ALA A 91 8.221 6.409 1.239 1.00 64.12 C ATOM 1420 C ALA A 91 7.158 7.349 0.683 1.00 34.24 C ATOM 1421 O ALA A 91 7.286 7.846 -0.432 1.00 0.42 O ATOM 1422 CB ALA A 91 7.780 4.963 1.093 1.00 13.45 C ATOM 0 H ALA A 91 7.961 6.166 3.297 1.00 44.11 H new ATOM 0 HA ALA A 91 9.133 6.564 0.662 1.00 64.12 H new ATOM 0 HB1 ALA A 91 7.562 4.753 0.046 1.00 13.45 H new ATOM 0 HB2 ALA A 91 8.576 4.303 1.437 1.00 13.45 H new ATOM 0 HB3 ALA A 91 6.885 4.794 1.691 1.00 13.45 H new ATOM 1428 N SER A 92 6.124 7.604 1.473 1.00 5.23 N ATOM 1429 CA SER A 92 5.021 8.458 1.050 1.00 3.44 C ATOM 1430 C SER A 92 5.499 9.872 0.706 1.00 53.10 C ATOM 1431 O SER A 92 5.138 10.429 -0.332 1.00 40.54 O ATOM 1432 CB SER A 92 3.954 8.502 2.144 1.00 1.01 C ATOM 1433 OG SER A 92 4.548 8.721 3.414 1.00 1.42 O ATOM 0 H SER A 92 6.025 7.229 2.416 1.00 5.23 H new ATOM 0 HA SER A 92 4.591 8.033 0.143 1.00 3.44 H new ATOM 0 HB2 SER A 92 3.239 9.296 1.930 1.00 1.01 H new ATOM 0 HB3 SER A 92 3.397 7.565 2.154 1.00 1.01 H new ATOM 0 HG SER A 92 4.655 9.684 3.564 1.00 1.42 H new ATOM 1439 N PHE A 93 6.337 10.433 1.565 1.00 55.10 N ATOM 1440 CA PHE A 93 6.845 11.783 1.363 1.00 32.34 C ATOM 1441 C PHE A 93 8.107 11.798 0.500 1.00 2.10 C ATOM 1442 O PHE A 93 8.813 12.806 0.431 1.00 23.10 O ATOM 1443 CB PHE A 93 7.093 12.470 2.708 1.00 44.54 C ATOM 1444 CG PHE A 93 5.825 12.794 3.450 1.00 4.42 C ATOM 1445 CD1 PHE A 93 5.254 11.876 4.317 1.00 10.11 C ATOM 1446 CD2 PHE A 93 5.198 14.016 3.269 1.00 2.13 C ATOM 1447 CE1 PHE A 93 4.082 12.170 4.987 1.00 21.44 C ATOM 1448 CE2 PHE A 93 4.027 14.316 3.938 1.00 0.34 C ATOM 1449 CZ PHE A 93 3.468 13.392 4.798 1.00 5.44 C ATOM 0 H PHE A 93 6.680 9.975 2.409 1.00 55.10 H new ATOM 0 HA PHE A 93 6.082 12.342 0.822 1.00 32.34 H new ATOM 0 HB2 PHE A 93 7.715 11.825 3.329 1.00 44.54 H new ATOM 0 HB3 PHE A 93 7.654 13.390 2.541 1.00 44.54 H new ATOM 0 HD1 PHE A 93 5.731 10.919 4.471 1.00 10.11 H new ATOM 0 HD2 PHE A 93 5.630 14.743 2.597 1.00 2.13 H new ATOM 0 HE1 PHE A 93 3.647 11.444 5.658 1.00 21.44 H new ATOM 0 HE2 PHE A 93 3.549 15.273 3.788 1.00 0.34 H new ATOM 0 HZ PHE A 93 2.553 13.625 5.322 1.00 5.44 H new ATOM 1459 N ALA A 94 8.379 10.684 -0.162 1.00 55.45 N ATOM 1460 CA ALA A 94 9.525 10.592 -1.053 1.00 11.04 C ATOM 1461 C ALA A 94 9.063 10.394 -2.487 1.00 34.34 C ATOM 1462 O ALA A 94 9.874 10.288 -3.410 1.00 10.53 O ATOM 1463 CB ALA A 94 10.444 9.459 -0.634 1.00 23.34 C ATOM 0 H ALA A 94 7.822 9.832 -0.099 1.00 55.45 H new ATOM 0 HA ALA A 94 10.083 11.526 -0.990 1.00 11.04 H new ATOM 0 HB1 ALA A 94 11.294 9.409 -1.315 1.00 23.34 H new ATOM 0 HB2 ALA A 94 10.801 9.637 0.380 1.00 23.34 H new ATOM 0 HB3 ALA A 94 9.898 8.516 -0.666 1.00 23.34 H new ATOM 1469 N LEU A 95 7.756 10.342 -2.665 1.00 52.24 N ATOM 1470 CA LEU A 95 7.174 10.153 -3.975 1.00 54.01 C ATOM 1471 C LEU A 95 6.822 11.482 -4.603 1.00 51.43 C ATOM 1472 O LEU A 95 6.539 12.459 -3.906 1.00 63.22 O ATOM 1473 CB LEU A 95 5.925 9.278 -3.886 1.00 43.11 C ATOM 1474 CG LEU A 95 6.146 7.855 -3.384 1.00 62.43 C ATOM 1475 CD1 LEU A 95 4.826 7.115 -3.297 1.00 13.11 C ATOM 1476 CD2 LEU A 95 7.117 7.114 -4.291 1.00 12.31 C ATOM 0 H LEU A 95 7.075 10.429 -1.911 1.00 52.24 H new ATOM 0 HA LEU A 95 7.914 9.654 -4.601 1.00 54.01 H new ATOM 0 HB2 LEU A 95 5.207 9.768 -3.228 1.00 43.11 H new ATOM 0 HB3 LEU A 95 5.468 9.228 -4.874 1.00 43.11 H new ATOM 0 HG LEU A 95 6.580 7.904 -2.385 1.00 62.43 H new ATOM 0 HD11 LEU A 95 5.000 6.101 -2.937 1.00 13.11 H new ATOM 0 HD12 LEU A 95 4.162 7.636 -2.607 1.00 13.11 H new ATOM 0 HD13 LEU A 95 4.365 7.076 -4.284 1.00 13.11 H new ATOM 0 HD21 LEU A 95 7.263 6.100 -3.917 1.00 12.31 H new ATOM 0 HD22 LEU A 95 6.712 7.073 -5.302 1.00 12.31 H new ATOM 0 HD23 LEU A 95 8.073 7.637 -4.304 1.00 12.31 H new ATOM 1488 N ARG A 96 6.851 11.522 -5.912 1.00 74.52 N ATOM 1489 CA ARG A 96 6.515 12.722 -6.653 1.00 24.50 C ATOM 1490 C ARG A 96 5.059 12.656 -7.113 1.00 33.41 C ATOM 1491 O ARG A 96 4.374 11.661 -6.863 1.00 71.14 O ATOM 1492 CB ARG A 96 7.471 12.871 -7.838 1.00 3.41 C ATOM 1493 CG ARG A 96 8.936 12.827 -7.412 1.00 43.24 C ATOM 1494 CD ARG A 96 9.882 12.760 -8.596 1.00 4.42 C ATOM 1495 NE ARG A 96 9.921 14.010 -9.345 1.00 13.25 N ATOM 1496 CZ ARG A 96 10.994 14.464 -9.990 1.00 42.03 C ATOM 1497 NH1 ARG A 96 12.140 13.783 -9.956 1.00 11.14 N ATOM 1498 NH2 ARG A 96 10.926 15.604 -10.660 1.00 2.02 N ATOM 0 H ARG A 96 7.107 10.727 -6.497 1.00 74.52 H new ATOM 0 HA ARG A 96 6.624 13.598 -6.014 1.00 24.50 H new ATOM 0 HB2 ARG A 96 7.280 12.075 -8.558 1.00 3.41 H new ATOM 0 HB3 ARG A 96 7.271 13.814 -8.346 1.00 3.41 H new ATOM 0 HG2 ARG A 96 9.165 13.711 -6.817 1.00 43.24 H new ATOM 0 HG3 ARG A 96 9.099 11.961 -6.771 1.00 43.24 H new ATOM 0 HD2 ARG A 96 10.885 12.519 -8.244 1.00 4.42 H new ATOM 0 HD3 ARG A 96 9.574 11.951 -9.259 1.00 4.42 H new ATOM 0 HE ARG A 96 9.071 14.573 -9.377 1.00 13.25 H new ATOM 0 HH11 ARG A 96 12.198 12.909 -9.434 1.00 11.14 H new ATOM 0 HH12 ARG A 96 12.958 14.136 -10.452 1.00 11.14 H new ATOM 0 HH21 ARG A 96 10.053 16.132 -10.681 1.00 2.02 H new ATOM 0 HH22 ARG A 96 11.746 15.954 -11.155 1.00 2.02 H new ATOM 1512 N THR A 97 4.580 13.705 -7.760 1.00 74.33 N ATOM 1513 CA THR A 97 3.196 13.752 -8.219 1.00 74.04 C ATOM 1514 C THR A 97 2.912 12.645 -9.240 1.00 14.01 C ATOM 1515 O THR A 97 3.528 12.596 -10.309 1.00 1.31 O ATOM 1516 CB THR A 97 2.870 15.119 -8.842 1.00 31.35 C ATOM 1517 OG1 THR A 97 3.256 16.162 -7.935 1.00 12.33 O ATOM 1518 CG2 THR A 97 1.381 15.236 -9.144 1.00 61.14 C ATOM 0 H THR A 97 5.127 14.537 -7.981 1.00 74.33 H new ATOM 0 HA THR A 97 2.561 13.597 -7.347 1.00 74.04 H new ATOM 0 HB THR A 97 3.423 15.214 -9.777 1.00 31.35 H new ATOM 0 HG1 THR A 97 3.050 17.034 -8.332 1.00 12.33 H new ATOM 0 HG21 THR A 97 1.175 16.212 -9.584 1.00 61.14 H new ATOM 0 HG22 THR A 97 1.089 14.453 -9.844 1.00 61.14 H new ATOM 0 HG23 THR A 97 0.813 15.127 -8.220 1.00 61.14 H new ATOM 1526 N GLY A 98 1.992 11.751 -8.890 1.00 51.34 N ATOM 1527 CA GLY A 98 1.631 10.663 -9.775 1.00 74.35 C ATOM 1528 C GLY A 98 2.665 9.561 -9.761 1.00 15.14 C ATOM 1529 O GLY A 98 2.836 8.842 -10.752 1.00 22.43 O ATOM 0 H GLY A 98 1.488 11.763 -8.003 1.00 51.34 H new ATOM 0 HA2 GLY A 98 0.664 10.258 -9.477 1.00 74.35 H new ATOM 0 HA3 GLY A 98 1.518 11.043 -10.790 1.00 74.35 H new ATOM 1533 N GLU A 99 3.356 9.425 -8.650 1.00 40.11 N ATOM 1534 CA GLU A 99 4.396 8.429 -8.524 1.00 32.52 C ATOM 1535 C GLU A 99 4.022 7.389 -7.478 1.00 54.13 C ATOM 1536 O GLU A 99 3.400 7.710 -6.458 1.00 5.23 O ATOM 1537 CB GLU A 99 5.717 9.110 -8.174 1.00 61.01 C ATOM 1538 CG GLU A 99 6.929 8.205 -8.227 1.00 72.43 C ATOM 1539 CD GLU A 99 8.217 8.984 -8.140 1.00 23.03 C ATOM 1540 OE1 GLU A 99 8.710 9.429 -9.198 1.00 52.43 O ATOM 1541 OE2 GLU A 99 8.733 9.169 -7.023 1.00 21.34 O ATOM 0 H GLU A 99 3.215 9.996 -7.817 1.00 40.11 H new ATOM 0 HA GLU A 99 4.511 7.911 -9.476 1.00 32.52 H new ATOM 0 HB2 GLU A 99 5.873 9.944 -8.859 1.00 61.01 H new ATOM 0 HB3 GLU A 99 5.639 9.531 -7.172 1.00 61.01 H new ATOM 0 HG2 GLU A 99 6.883 7.488 -7.408 1.00 72.43 H new ATOM 0 HG3 GLU A 99 6.914 7.632 -9.154 1.00 72.43 H new ATOM 1548 N MET A 100 4.388 6.150 -7.742 1.00 11.55 N ATOM 1549 CA MET A 100 4.089 5.045 -6.854 1.00 2.10 C ATOM 1550 C MET A 100 5.380 4.405 -6.375 1.00 34.22 C ATOM 1551 O MET A 100 6.353 4.329 -7.124 1.00 43.44 O ATOM 1552 CB MET A 100 3.221 4.009 -7.580 1.00 63.21 C ATOM 1553 CG MET A 100 2.769 2.847 -6.707 1.00 31.15 C ATOM 1554 SD MET A 100 1.667 1.709 -7.571 1.00 64.15 S ATOM 1555 CE MET A 100 2.744 1.101 -8.865 1.00 32.12 C ATOM 0 H MET A 100 4.902 5.881 -8.581 1.00 11.55 H new ATOM 0 HA MET A 100 3.539 5.419 -5.991 1.00 2.10 H new ATOM 0 HB2 MET A 100 2.340 4.509 -7.983 1.00 63.21 H new ATOM 0 HB3 MET A 100 3.780 3.615 -8.428 1.00 63.21 H new ATOM 0 HG2 MET A 100 3.644 2.301 -6.355 1.00 31.15 H new ATOM 0 HG3 MET A 100 2.261 3.237 -5.825 1.00 31.15 H new ATOM 0 HE1 MET A 100 2.267 0.262 -9.371 1.00 32.12 H new ATOM 0 HE2 MET A 100 2.935 1.898 -9.584 1.00 32.12 H new ATOM 0 HE3 MET A 100 3.687 0.773 -8.429 1.00 32.12 H new ATOM 1565 N SER A 101 5.392 3.962 -5.135 1.00 50.13 N ATOM 1566 CA SER A 101 6.562 3.341 -4.562 1.00 75.02 C ATOM 1567 C SER A 101 6.591 1.858 -4.890 1.00 40.11 C ATOM 1568 O SER A 101 5.660 1.324 -5.504 1.00 75.02 O ATOM 1569 CB SER A 101 6.567 3.532 -3.041 1.00 43.41 C ATOM 1570 OG SER A 101 5.443 2.899 -2.440 1.00 1.21 O ATOM 0 H SER A 101 4.595 4.023 -4.501 1.00 50.13 H new ATOM 0 HA SER A 101 7.447 3.814 -4.988 1.00 75.02 H new ATOM 0 HB2 SER A 101 7.486 3.121 -2.623 1.00 43.41 H new ATOM 0 HB3 SER A 101 6.558 4.596 -2.805 1.00 43.41 H new ATOM 0 HG SER A 101 5.471 3.035 -1.470 1.00 1.21 H new ATOM 1576 N GLY A 102 7.662 1.202 -4.501 1.00 43.15 N ATOM 1577 CA GLY A 102 7.756 -0.217 -4.679 1.00 75.44 C ATOM 1578 C GLY A 102 7.217 -0.944 -3.465 1.00 73.52 C ATOM 1579 O GLY A 102 6.510 -0.344 -2.647 1.00 50.12 O ATOM 0 H GLY A 102 8.475 1.634 -4.061 1.00 43.15 H new ATOM 0 HA2 GLY A 102 7.197 -0.515 -5.566 1.00 75.44 H new ATOM 0 HA3 GLY A 102 8.795 -0.500 -4.847 1.00 75.44 H new ATOM 1583 N PRO A 103 7.537 -2.228 -3.306 1.00 65.25 N ATOM 1584 CA PRO A 103 7.066 -3.013 -2.169 1.00 13.13 C ATOM 1585 C PRO A 103 7.701 -2.563 -0.848 1.00 72.24 C ATOM 1586 O PRO A 103 8.923 -2.627 -0.679 1.00 22.45 O ATOM 1587 CB PRO A 103 7.506 -4.442 -2.513 1.00 74.13 C ATOM 1588 CG PRO A 103 8.648 -4.279 -3.457 1.00 21.54 C ATOM 1589 CD PRO A 103 8.378 -3.018 -4.226 1.00 1.21 C ATOM 0 HA PRO A 103 5.991 -2.908 -2.020 1.00 13.13 H new ATOM 0 HB2 PRO A 103 7.808 -4.988 -1.619 1.00 74.13 H new ATOM 0 HB3 PRO A 103 6.693 -5.006 -2.971 1.00 74.13 H new ATOM 0 HG2 PRO A 103 9.593 -4.211 -2.917 1.00 21.54 H new ATOM 0 HG3 PRO A 103 8.724 -5.135 -4.127 1.00 21.54 H new ATOM 0 HD2 PRO A 103 9.301 -2.495 -4.476 1.00 1.21 H new ATOM 0 HD3 PRO A 103 7.863 -3.223 -5.165 1.00 1.21 H new ATOM 1597 N VAL A 104 6.877 -2.062 0.058 1.00 2.13 N ATOM 1598 CA VAL A 104 7.342 -1.670 1.381 1.00 43.21 C ATOM 1599 C VAL A 104 7.178 -2.845 2.335 1.00 2.15 C ATOM 1600 O VAL A 104 6.051 -3.205 2.706 1.00 72.44 O ATOM 1601 CB VAL A 104 6.564 -0.446 1.928 1.00 63.31 C ATOM 1602 CG1 VAL A 104 7.086 -0.043 3.302 1.00 61.01 C ATOM 1603 CG2 VAL A 104 6.653 0.725 0.958 1.00 2.45 C ATOM 0 H VAL A 104 5.880 -1.916 -0.098 1.00 2.13 H new ATOM 0 HA VAL A 104 8.391 -1.386 1.301 1.00 43.21 H new ATOM 0 HB VAL A 104 5.516 -0.729 2.030 1.00 63.31 H new ATOM 0 HG11 VAL A 104 6.525 0.818 3.666 1.00 61.01 H new ATOM 0 HG12 VAL A 104 6.965 -0.875 3.996 1.00 61.01 H new ATOM 0 HG13 VAL A 104 8.142 0.217 3.228 1.00 61.01 H new ATOM 0 HG21 VAL A 104 6.100 1.574 1.361 1.00 2.45 H new ATOM 0 HG22 VAL A 104 7.697 1.005 0.820 1.00 2.45 H new ATOM 0 HG23 VAL A 104 6.225 0.436 -0.002 1.00 2.45 H new ATOM 1613 N PHE A 105 8.288 -3.440 2.721 1.00 25.22 N ATOM 1614 CA PHE A 105 8.275 -4.628 3.558 1.00 31.21 C ATOM 1615 C PHE A 105 8.164 -4.285 5.036 1.00 24.25 C ATOM 1616 O PHE A 105 8.987 -3.543 5.580 1.00 34.50 O ATOM 1617 CB PHE A 105 9.533 -5.460 3.317 1.00 41.33 C ATOM 1618 CG PHE A 105 9.697 -5.929 1.899 1.00 65.02 C ATOM 1619 CD1 PHE A 105 9.048 -7.066 1.451 1.00 2.41 C ATOM 1620 CD2 PHE A 105 10.509 -5.233 1.015 1.00 40.44 C ATOM 1621 CE1 PHE A 105 9.202 -7.502 0.152 1.00 1.42 C ATOM 1622 CE2 PHE A 105 10.666 -5.665 -0.288 1.00 75.31 C ATOM 1623 CZ PHE A 105 10.012 -6.800 -0.719 1.00 44.23 C ATOM 0 H PHE A 105 9.222 -3.118 2.466 1.00 25.22 H new ATOM 0 HA PHE A 105 7.393 -5.206 3.282 1.00 31.21 H new ATOM 0 HB2 PHE A 105 10.405 -4.869 3.596 1.00 41.33 H new ATOM 0 HB3 PHE A 105 9.513 -6.328 3.975 1.00 41.33 H new ATOM 0 HD1 PHE A 105 8.413 -7.619 2.127 1.00 2.41 H new ATOM 0 HD2 PHE A 105 11.024 -4.344 1.349 1.00 40.44 H new ATOM 0 HE1 PHE A 105 8.690 -8.391 -0.184 1.00 1.42 H new ATOM 0 HE2 PHE A 105 11.300 -5.115 -0.968 1.00 75.31 H new ATOM 0 HZ PHE A 105 10.133 -7.140 -1.737 1.00 44.23 H new ATOM 1633 N THR A 106 7.147 -4.835 5.676 1.00 54.14 N ATOM 1634 CA THR A 106 6.932 -4.656 7.102 1.00 21.24 C ATOM 1635 C THR A 106 6.529 -5.986 7.728 1.00 43.33 C ATOM 1636 O THR A 106 6.458 -7.000 7.033 1.00 53.11 O ATOM 1637 CB THR A 106 5.841 -3.607 7.390 1.00 11.30 C ATOM 1638 OG1 THR A 106 4.649 -3.934 6.666 1.00 52.22 O ATOM 1639 CG2 THR A 106 6.307 -2.206 7.011 1.00 61.52 C ATOM 0 H THR A 106 6.446 -5.419 5.221 1.00 54.14 H new ATOM 0 HA THR A 106 7.866 -4.299 7.537 1.00 21.24 H new ATOM 0 HB THR A 106 5.634 -3.618 8.460 1.00 11.30 H new ATOM 0 HG1 THR A 106 3.969 -3.247 6.828 1.00 52.22 H new ATOM 0 HG21 THR A 106 5.515 -1.489 7.226 1.00 61.52 H new ATOM 0 HG22 THR A 106 7.196 -1.950 7.588 1.00 61.52 H new ATOM 0 HG23 THR A 106 6.544 -2.177 5.947 1.00 61.52 H new ATOM 1647 N ASP A 107 6.246 -5.978 9.019 1.00 12.33 N ATOM 1648 CA ASP A 107 5.877 -7.204 9.730 1.00 52.33 C ATOM 1649 C ASP A 107 4.432 -7.586 9.446 1.00 74.14 C ATOM 1650 O ASP A 107 4.097 -8.768 9.351 1.00 45.11 O ATOM 1651 CB ASP A 107 6.077 -7.041 11.241 1.00 21.12 C ATOM 1652 CG ASP A 107 7.485 -6.636 11.607 1.00 74.12 C ATOM 1653 OD1 ASP A 107 8.355 -7.521 11.738 1.00 40.42 O ATOM 1654 OD2 ASP A 107 7.733 -5.423 11.765 1.00 1.24 O ATOM 0 H ASP A 107 6.263 -5.141 9.601 1.00 12.33 H new ATOM 0 HA ASP A 107 6.529 -8.000 9.370 1.00 52.33 H new ATOM 0 HB2 ASP A 107 5.380 -6.292 11.616 1.00 21.12 H new ATOM 0 HB3 ASP A 107 5.834 -7.980 11.738 1.00 21.12 H new ATOM 1659 N SER A 108 3.580 -6.581 9.299 1.00 13.54 N ATOM 1660 CA SER A 108 2.166 -6.812 9.035 1.00 12.21 C ATOM 1661 C SER A 108 1.959 -7.330 7.609 1.00 74.24 C ATOM 1662 O SER A 108 1.055 -8.125 7.344 1.00 63.30 O ATOM 1663 CB SER A 108 1.380 -5.519 9.252 1.00 42.31 C ATOM 1664 OG SER A 108 1.722 -4.922 10.501 1.00 14.53 O ATOM 0 H SER A 108 3.843 -5.597 9.358 1.00 13.54 H new ATOM 0 HA SER A 108 1.800 -7.570 9.727 1.00 12.21 H new ATOM 0 HB2 SER A 108 1.588 -4.821 8.441 1.00 42.31 H new ATOM 0 HB3 SER A 108 0.311 -5.729 9.225 1.00 42.31 H new ATOM 0 HG SER A 108 1.209 -4.095 10.620 1.00 14.53 H new ATOM 1670 N GLY A 109 2.821 -6.891 6.704 1.00 3.44 N ATOM 1671 CA GLY A 109 2.727 -7.299 5.324 1.00 21.23 C ATOM 1672 C GLY A 109 3.511 -6.383 4.422 1.00 54.23 C ATOM 1673 O GLY A 109 4.540 -5.832 4.828 1.00 1.10 O ATOM 0 H GLY A 109 3.590 -6.253 6.907 1.00 3.44 H new ATOM 0 HA2 GLY A 109 3.097 -8.319 5.219 1.00 21.23 H new ATOM 0 HA3 GLY A 109 1.681 -7.307 5.016 1.00 21.23 H new ATOM 1677 N ILE A 110 3.038 -6.206 3.209 1.00 21.33 N ATOM 1678 CA ILE A 110 3.702 -5.337 2.254 1.00 40.31 C ATOM 1679 C ILE A 110 2.778 -4.190 1.872 1.00 74.23 C ATOM 1680 O ILE A 110 1.600 -4.401 1.577 1.00 20.10 O ATOM 1681 CB ILE A 110 4.138 -6.112 0.985 1.00 52.01 C ATOM 1682 CG1 ILE A 110 5.040 -7.291 1.370 1.00 42.44 C ATOM 1683 CG2 ILE A 110 4.862 -5.183 0.015 1.00 75.14 C ATOM 1684 CD1 ILE A 110 5.448 -8.159 0.201 1.00 31.32 C ATOM 0 H ILE A 110 2.192 -6.653 2.856 1.00 21.33 H new ATOM 0 HA ILE A 110 4.601 -4.941 2.727 1.00 40.31 H new ATOM 0 HB ILE A 110 3.248 -6.500 0.490 1.00 52.01 H new ATOM 0 HG12 ILE A 110 5.937 -6.906 1.854 1.00 42.44 H new ATOM 0 HG13 ILE A 110 4.521 -7.908 2.104 1.00 42.44 H new ATOM 0 HG21 ILE A 110 5.161 -5.743 -0.871 1.00 75.14 H new ATOM 0 HG22 ILE A 110 4.196 -4.371 -0.277 1.00 75.14 H new ATOM 0 HG23 ILE A 110 5.747 -4.770 0.499 1.00 75.14 H new ATOM 0 HD11 ILE A 110 6.084 -8.970 0.555 1.00 31.32 H new ATOM 0 HD12 ILE A 110 4.558 -8.575 -0.271 1.00 31.32 H new ATOM 0 HD13 ILE A 110 5.996 -7.558 -0.525 1.00 31.32 H new ATOM 1696 N HIS A 111 3.306 -2.976 1.898 1.00 33.11 N ATOM 1697 CA HIS A 111 2.510 -1.792 1.596 1.00 75.15 C ATOM 1698 C HIS A 111 2.919 -1.197 0.259 1.00 74.22 C ATOM 1699 O HIS A 111 4.097 -1.220 -0.104 1.00 42.40 O ATOM 1700 CB HIS A 111 2.685 -0.702 2.679 1.00 60.44 C ATOM 1701 CG HIS A 111 2.535 -1.164 4.100 1.00 32.11 C ATOM 1702 ND1 HIS A 111 1.438 -0.874 4.882 1.00 4.22 N ATOM 1703 CD2 HIS A 111 3.378 -1.858 4.892 1.00 35.12 C ATOM 1704 CE1 HIS A 111 1.621 -1.367 6.096 1.00 32.22 C ATOM 1705 NE2 HIS A 111 2.788 -1.968 6.124 1.00 62.33 N ATOM 0 H HIS A 111 4.282 -2.783 2.125 1.00 33.11 H new ATOM 0 HA HIS A 111 1.468 -2.111 1.565 1.00 75.15 H new ATOM 0 HB2 HIS A 111 3.673 -0.257 2.564 1.00 60.44 H new ATOM 0 HB3 HIS A 111 1.956 0.087 2.494 1.00 60.44 H new ATOM 0 HD1 HIS A 111 0.613 -0.359 4.573 1.00 4.22 H new ATOM 0 HD2 HIS A 111 4.341 -2.254 4.607 1.00 35.12 H new ATOM 0 HE1 HIS A 111 0.929 -1.289 6.922 1.00 32.22 H new ATOM 1714 N ILE A 112 1.948 -0.687 -0.470 1.00 55.02 N ATOM 1715 CA ILE A 112 2.210 0.045 -1.700 1.00 10.22 C ATOM 1716 C ILE A 112 1.681 1.456 -1.521 1.00 2.44 C ATOM 1717 O ILE A 112 0.591 1.642 -0.968 1.00 13.21 O ATOM 1718 CB ILE A 112 1.520 -0.584 -2.933 1.00 2.04 C ATOM 1719 CG1 ILE A 112 1.727 -2.100 -2.970 1.00 21.31 C ATOM 1720 CG2 ILE A 112 2.061 0.049 -4.211 1.00 3.13 C ATOM 1721 CD1 ILE A 112 1.044 -2.774 -4.145 1.00 32.25 C ATOM 0 H ILE A 112 0.959 -0.765 -0.232 1.00 55.02 H new ATOM 0 HA ILE A 112 3.284 0.023 -1.883 1.00 10.22 H new ATOM 0 HB ILE A 112 0.450 -0.391 -2.859 1.00 2.04 H new ATOM 0 HG12 ILE A 112 2.795 -2.312 -3.010 1.00 21.31 H new ATOM 0 HG13 ILE A 112 1.350 -2.533 -2.043 1.00 21.31 H new ATOM 0 HG21 ILE A 112 1.570 -0.399 -5.075 1.00 3.13 H new ATOM 0 HG22 ILE A 112 1.864 1.121 -4.198 1.00 3.13 H new ATOM 0 HG23 ILE A 112 3.136 -0.122 -4.275 1.00 3.13 H new ATOM 0 HD11 ILE A 112 1.232 -3.847 -4.109 1.00 32.25 H new ATOM 0 HD12 ILE A 112 -0.030 -2.592 -4.095 1.00 32.25 H new ATOM 0 HD13 ILE A 112 1.438 -2.368 -5.077 1.00 32.25 H new ATOM 1733 N ILE A 113 2.435 2.442 -1.959 1.00 73.50 N ATOM 1734 CA ILE A 113 2.043 3.830 -1.788 1.00 4.15 C ATOM 1735 C ILE A 113 2.075 4.566 -3.121 1.00 71.44 C ATOM 1736 O ILE A 113 3.000 4.390 -3.905 1.00 24.12 O ATOM 1737 CB ILE A 113 2.992 4.545 -0.801 1.00 21.20 C ATOM 1738 CG1 ILE A 113 3.101 3.758 0.508 1.00 74.25 C ATOM 1739 CG2 ILE A 113 2.513 5.965 -0.527 1.00 13.35 C ATOM 1740 CD1 ILE A 113 4.148 4.296 1.455 1.00 41.02 C ATOM 0 H ILE A 113 3.326 2.310 -2.438 1.00 73.50 H new ATOM 0 HA ILE A 113 1.028 3.841 -1.391 1.00 4.15 H new ATOM 0 HB ILE A 113 3.981 4.597 -1.257 1.00 21.20 H new ATOM 0 HG12 ILE A 113 2.133 3.766 1.008 1.00 74.25 H new ATOM 0 HG13 ILE A 113 3.332 2.718 0.278 1.00 74.25 H new ATOM 0 HG21 ILE A 113 3.195 6.451 0.170 1.00 13.35 H new ATOM 0 HG22 ILE A 113 2.487 6.527 -1.461 1.00 13.35 H new ATOM 0 HG23 ILE A 113 1.513 5.935 -0.094 1.00 13.35 H new ATOM 0 HD11 ILE A 113 4.167 3.688 2.360 1.00 41.02 H new ATOM 0 HD12 ILE A 113 5.126 4.262 0.974 1.00 41.02 H new ATOM 0 HD13 ILE A 113 3.908 5.327 1.716 1.00 41.02 H new ATOM 1752 N LEU A 114 1.065 5.376 -3.375 1.00 2.12 N ATOM 1753 CA LEU A 114 1.007 6.165 -4.598 1.00 51.21 C ATOM 1754 C LEU A 114 0.574 7.589 -4.266 1.00 21.24 C ATOM 1755 O LEU A 114 -0.513 7.803 -3.731 1.00 31.34 O ATOM 1756 CB LEU A 114 0.036 5.513 -5.610 1.00 33.51 C ATOM 1757 CG LEU A 114 0.109 6.017 -7.070 1.00 72.14 C ATOM 1758 CD1 LEU A 114 -0.552 5.017 -8.005 1.00 20.42 C ATOM 1759 CD2 LEU A 114 -0.559 7.376 -7.223 1.00 32.04 C ATOM 0 H LEU A 114 0.269 5.507 -2.750 1.00 2.12 H new ATOM 0 HA LEU A 114 1.996 6.198 -5.055 1.00 51.21 H new ATOM 0 HB2 LEU A 114 0.219 4.438 -5.612 1.00 33.51 H new ATOM 0 HB3 LEU A 114 -0.982 5.663 -5.249 1.00 33.51 H new ATOM 0 HG LEU A 114 1.162 6.121 -7.331 1.00 72.14 H new ATOM 0 HD11 LEU A 114 -0.494 5.384 -9.030 1.00 20.42 H new ATOM 0 HD12 LEU A 114 -0.039 4.058 -7.933 1.00 20.42 H new ATOM 0 HD13 LEU A 114 -1.597 4.892 -7.723 1.00 20.42 H new ATOM 0 HD21 LEU A 114 -0.490 7.701 -8.261 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -1.608 7.300 -6.936 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -0.059 8.102 -6.582 1.00 32.04 H new ATOM 1771 N ARG A 115 1.430 8.554 -4.571 1.00 73.52 N ATOM 1772 CA ARG A 115 1.129 9.954 -4.303 1.00 44.32 C ATOM 1773 C ARG A 115 0.373 10.577 -5.465 1.00 24.31 C ATOM 1774 O ARG A 115 0.896 10.677 -6.576 1.00 1.45 O ATOM 1775 CB ARG A 115 2.407 10.757 -4.027 1.00 32.35 C ATOM 1776 CG ARG A 115 2.163 12.259 -3.906 1.00 71.42 C ATOM 1777 CD ARG A 115 3.454 13.036 -3.726 1.00 60.03 C ATOM 1778 NE ARG A 115 3.249 14.476 -3.934 1.00 54.10 N ATOM 1779 CZ ARG A 115 4.217 15.350 -4.225 1.00 13.41 C ATOM 1780 NH1 ARG A 115 5.490 14.963 -4.254 1.00 71.35 N ATOM 1781 NH2 ARG A 115 3.909 16.619 -4.469 1.00 44.35 N ATOM 0 H ARG A 115 2.339 8.393 -5.005 1.00 73.52 H new ATOM 0 HA ARG A 115 0.501 9.986 -3.413 1.00 44.32 H new ATOM 0 HB2 ARG A 115 2.863 10.395 -3.106 1.00 32.35 H new ATOM 0 HB3 ARG A 115 3.122 10.576 -4.830 1.00 32.35 H new ATOM 0 HG2 ARG A 115 1.648 12.615 -4.798 1.00 71.42 H new ATOM 0 HG3 ARG A 115 1.504 12.451 -3.059 1.00 71.42 H new ATOM 0 HD2 ARG A 115 3.847 12.864 -2.724 1.00 60.03 H new ATOM 0 HD3 ARG A 115 4.202 12.669 -4.429 1.00 60.03 H new ATOM 0 HE ARG A 115 2.298 14.835 -3.850 1.00 54.10 H new ATOM 0 HH11 ARG A 115 5.733 13.993 -4.053 1.00 71.35 H new ATOM 0 HH12 ARG A 115 6.223 15.637 -4.477 1.00 71.35 H new ATOM 0 HH21 ARG A 115 2.936 16.924 -4.434 1.00 44.35 H new ATOM 0 HH22 ARG A 115 4.645 17.289 -4.691 1.00 44.35 H new ATOM 1795 N THR A 116 -0.845 10.992 -5.208 1.00 20.42 N ATOM 1796 CA THR A 116 -1.657 11.626 -6.220 1.00 52.21 C ATOM 1797 C THR A 116 -1.505 13.143 -6.159 1.00 35.11 C ATOM 1798 O THR A 116 -1.496 13.821 -7.186 1.00 62.05 O ATOM 1799 CB THR A 116 -3.136 11.244 -6.051 1.00 70.02 C ATOM 1800 OG1 THR A 116 -3.494 11.322 -4.664 1.00 1.42 O ATOM 1801 CG2 THR A 116 -3.391 9.834 -6.564 1.00 64.14 C ATOM 0 H THR A 116 -1.298 10.901 -4.299 1.00 20.42 H new ATOM 0 HA THR A 116 -1.313 11.275 -7.193 1.00 52.21 H new ATOM 0 HB THR A 116 -3.744 11.939 -6.630 1.00 70.02 H new ATOM 0 HG1 THR A 116 -4.437 11.080 -4.556 1.00 1.42 H new ATOM 0 HG21 THR A 116 -4.444 9.585 -6.435 1.00 64.14 H new ATOM 0 HG22 THR A 116 -3.132 9.779 -7.621 1.00 64.14 H new ATOM 0 HG23 THR A 116 -2.779 9.127 -6.004 1.00 64.14 H new ATOM 1809 N GLU A 117 -1.363 13.665 -4.949 1.00 31.22 N ATOM 1810 CA GLU A 117 -1.216 15.093 -4.736 1.00 12.05 C ATOM 1811 C GLU A 117 -0.051 15.366 -3.800 1.00 41.23 C ATOM 1812 O GLU A 117 -0.147 15.010 -2.618 1.00 0.00 O ATOM 1813 CB GLU A 117 -2.507 15.695 -4.169 1.00 4.24 C ATOM 1814 CG GLU A 117 -3.708 15.567 -5.093 1.00 25.34 C ATOM 1815 CD GLU A 117 -4.997 16.020 -4.446 1.00 3.20 C ATOM 1816 OE1 GLU A 117 -4.987 17.051 -3.744 1.00 14.32 O ATOM 1817 OE2 GLU A 117 -6.026 15.342 -4.634 1.00 2.05 O ATOM 1818 OXT GLU A 117 0.961 15.942 -4.256 1.00 0.00 O ATOM 0 H GLU A 117 -1.347 13.111 -4.093 1.00 31.22 H new ATOM 0 HA GLU A 117 -1.014 15.565 -5.698 1.00 12.05 H new ATOM 0 HB2 GLU A 117 -2.737 15.208 -3.221 1.00 4.24 H new ATOM 0 HB3 GLU A 117 -2.339 16.750 -3.952 1.00 4.24 H new ATOM 0 HG2 GLU A 117 -3.532 16.156 -5.993 1.00 25.34 H new ATOM 0 HG3 GLU A 117 -3.810 14.528 -5.407 1.00 25.34 H new TER 1825 GLU A 117