USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 943 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 76 LYS NZ :NH3+ 139:sc= -0.631 (180deg=-4.22!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.461 K(o=-1.1,f=-2.3) USER MOD Set 2.1: A 8 SER OG : rot -149:sc= -0.0745 USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.29 X(o=-0.36,f=-0.8) USER MOD Set 3.1: A 31 HIS :FLIP no HE2:sc= -0.324 F(o=-1.3,f=-0.37) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= -0.0505 USER MOD Set 4.1: A 13 MET CE :methyl -121:sc= -2.51 (180deg=-9.07!) USER MOD Set 4.2: A 15 LYS NZ :NH3+ -132:sc= -0.0105 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0579 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -62:sc= 0.641 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -130:sc= 0.0385 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.347 F(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.02 (180deg=-0.222) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 115:sc= 0.455 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 170:sc= -0.485 USER MOD Single : A 59 THR OG1 : rot 177:sc= 1.15 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 50:sc= 0.715 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 0.0587 (180deg=0.00589) USER MOD Single : A 75 THR OG1 : rot 89:sc= 1.4 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.329) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0.205 USER MOD Single : A 105 TYR OH : rot -49:sc= 0.0783 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -161:sc= -1.36 (180deg=-2.95!) USER MOD Single : A 112 SER OG : rot 137:sc= 0.598 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.00961 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -175:sc= -1.85 (180deg=-1.95) USER MOD Single : A 123 THR OG1 : rot 38:sc= 0.558 USER MOD Single : A 124 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.9) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.720 -11.308 2.783 1.00 74.13 N ATOM 2 CA GLY A 1 -2.776 -12.006 2.071 1.00 34.14 C ATOM 3 C GLY A 1 -3.810 -12.600 3.007 1.00 1.51 C ATOM 4 O GLY A 1 -3.856 -12.284 4.196 1.00 72.31 O ATOM 0 H1 GLY A 1 -1.735 -10.301 2.525 1.00 74.13 H new ATOM 0 H2 GLY A 1 -1.869 -11.406 3.808 1.00 74.13 H new ATOM 0 H3 GLY A 1 -0.799 -11.717 2.527 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -3.266 -11.315 1.385 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -2.339 -12.800 1.466 1.00 34.14 H new ATOM 8 N PRO A 2 -4.665 -13.482 2.467 1.00 21.03 N ATOM 9 CA PRO A 2 -5.720 -14.138 3.245 1.00 2.31 C ATOM 10 C PRO A 2 -5.162 -15.144 4.245 1.00 61.30 C ATOM 11 O PRO A 2 -5.800 -15.452 5.253 1.00 14.21 O ATOM 12 CB PRO A 2 -6.554 -14.851 2.178 1.00 23.42 C ATOM 13 CG PRO A 2 -5.612 -15.075 1.046 1.00 33.11 C ATOM 14 CD PRO A 2 -4.668 -13.905 1.057 1.00 34.03 C ATOM 0 HA PRO A 2 -6.287 -13.426 3.845 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -6.954 -15.793 2.553 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -7.405 -14.244 1.870 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -5.072 -16.014 1.168 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -6.147 -15.136 0.099 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -3.671 -14.190 0.721 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -5.010 -13.106 0.399 1.00 34.03 H new ATOM 22 N THR A 3 -3.968 -15.655 3.961 1.00 23.42 N ATOM 23 CA THR A 3 -3.325 -16.627 4.836 1.00 41.32 C ATOM 24 C THR A 3 -1.808 -16.487 4.791 1.00 20.13 C ATOM 25 O THR A 3 -1.238 -16.123 3.764 1.00 54.11 O ATOM 26 CB THR A 3 -3.708 -18.069 4.451 1.00 33.42 C ATOM 27 OG1 THR A 3 -3.218 -18.373 3.140 1.00 11.12 O ATOM 28 CG2 THR A 3 -5.216 -18.257 4.490 1.00 11.31 C ATOM 0 H THR A 3 -3.427 -15.412 3.131 1.00 23.42 H new ATOM 0 HA THR A 3 -3.676 -16.423 5.848 1.00 41.32 H new ATOM 0 HB THR A 3 -3.254 -18.747 5.174 1.00 33.42 H new ATOM 0 HG1 THR A 3 -3.464 -19.292 2.904 1.00 11.12 H new ATOM 0 HG21 THR A 3 -5.462 -19.283 4.215 1.00 11.31 H new ATOM 0 HG22 THR A 3 -5.582 -18.054 5.496 1.00 11.31 H new ATOM 0 HG23 THR A 3 -5.687 -17.570 3.787 1.00 11.31 H new ATOM 36 N GLY A 4 -1.158 -16.779 5.914 1.00 1.33 N ATOM 37 CA GLY A 4 0.289 -16.680 5.981 1.00 1.34 C ATOM 38 C GLY A 4 0.781 -16.312 7.367 1.00 45.41 C ATOM 39 O GLY A 4 0.411 -15.269 7.910 1.00 60.11 O ATOM 0 H GLY A 4 -1.607 -17.082 6.778 1.00 1.33 H new ATOM 0 HA2 GLY A 4 0.729 -17.632 5.683 1.00 1.34 H new ATOM 0 HA3 GLY A 4 0.633 -15.932 5.266 1.00 1.34 H new ATOM 43 N THR A 5 1.617 -17.169 7.944 1.00 12.54 N ATOM 44 CA THR A 5 2.158 -16.930 9.276 1.00 74.23 C ATOM 45 C THR A 5 3.670 -17.123 9.298 1.00 64.14 C ATOM 46 O THR A 5 4.209 -17.962 8.577 1.00 14.45 O ATOM 47 CB THR A 5 1.517 -17.865 10.318 1.00 71.41 C ATOM 48 OG1 THR A 5 1.598 -19.224 9.874 1.00 32.23 O ATOM 49 CG2 THR A 5 0.063 -17.492 10.560 1.00 53.45 C ATOM 0 H THR A 5 1.934 -18.035 7.509 1.00 12.54 H new ATOM 0 HA THR A 5 1.923 -15.897 9.532 1.00 74.23 H new ATOM 0 HB THR A 5 2.064 -17.756 11.254 1.00 71.41 H new ATOM 0 HG1 THR A 5 1.101 -19.324 9.035 1.00 32.23 H new ATOM 0 HG21 THR A 5 -0.367 -18.167 11.300 1.00 53.45 H new ATOM 0 HG22 THR A 5 0.007 -16.467 10.927 1.00 53.45 H new ATOM 0 HG23 THR A 5 -0.494 -17.574 9.627 1.00 53.45 H new ATOM 57 N GLY A 6 4.350 -16.341 10.130 1.00 24.13 N ATOM 58 CA GLY A 6 5.794 -16.442 10.230 1.00 71.40 C ATOM 59 C GLY A 6 6.500 -15.213 9.693 1.00 43.52 C ATOM 60 O GLY A 6 6.784 -15.126 8.498 1.00 52.21 O ATOM 0 H GLY A 6 3.927 -15.639 10.737 1.00 24.13 H new ATOM 0 HA2 GLY A 6 6.073 -16.591 11.273 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.133 -17.321 9.681 1.00 71.40 H new ATOM 64 N GLU A 7 6.783 -14.261 10.577 1.00 62.41 N ATOM 65 CA GLU A 7 7.458 -13.029 10.182 1.00 61.05 C ATOM 66 C GLU A 7 8.837 -12.934 10.828 1.00 62.33 C ATOM 67 O GLU A 7 9.014 -13.287 11.994 1.00 20.21 O ATOM 68 CB GLU A 7 6.616 -11.813 10.570 1.00 41.31 C ATOM 69 CG GLU A 7 6.630 -11.513 12.060 1.00 34.13 C ATOM 70 CD GLU A 7 5.472 -10.635 12.490 1.00 31.31 C ATOM 71 OE1 GLU A 7 4.317 -11.109 12.438 1.00 50.32 O ATOM 72 OE2 GLU A 7 5.718 -9.474 12.878 1.00 35.02 O1- ATOM 0 H GLU A 7 6.556 -14.319 11.570 1.00 62.41 H new ATOM 0 HA GLU A 7 7.583 -13.044 9.099 1.00 61.05 H new ATOM 0 HB2 GLU A 7 6.982 -10.941 10.029 1.00 41.31 H new ATOM 0 HB3 GLU A 7 5.587 -11.977 10.251 1.00 41.31 H new ATOM 0 HG2 GLU A 7 6.596 -12.450 12.616 1.00 34.13 H new ATOM 0 HG3 GLU A 7 7.568 -11.023 12.319 1.00 34.13 H new ATOM 79 N SER A 8 9.811 -12.457 10.060 1.00 11.13 N ATOM 80 CA SER A 8 11.177 -12.319 10.555 1.00 73.41 C ATOM 81 C SER A 8 11.777 -10.983 10.129 1.00 2.22 C ATOM 82 O SER A 8 11.127 -10.183 9.455 1.00 44.50 O ATOM 83 CB SER A 8 12.046 -13.469 10.042 1.00 62.10 C ATOM 84 OG SER A 8 12.091 -14.532 10.977 1.00 14.33 O ATOM 0 H SER A 8 9.681 -12.160 9.093 1.00 11.13 H new ATOM 0 HA SER A 8 11.148 -12.353 11.644 1.00 73.41 H new ATOM 0 HB2 SER A 8 11.651 -13.832 9.093 1.00 62.10 H new ATOM 0 HB3 SER A 8 13.056 -13.107 9.849 1.00 62.10 H new ATOM 0 HG SER A 8 12.955 -14.990 10.910 1.00 14.33 H new ATOM 90 N LYS A 9 13.022 -10.746 10.528 1.00 44.32 N ATOM 91 CA LYS A 9 13.713 -9.509 10.188 1.00 23.33 C ATOM 92 C LYS A 9 15.124 -9.794 9.684 1.00 33.34 C ATOM 93 O LYS A 9 16.109 -9.390 10.305 1.00 14.24 O ATOM 94 CB LYS A 9 13.773 -8.583 11.405 1.00 44.14 C ATOM 95 CG LYS A 9 12.452 -7.899 11.715 1.00 44.04 C ATOM 96 CD LYS A 9 12.666 -6.517 12.308 1.00 2.52 C ATOM 97 CE LYS A 9 12.818 -5.462 11.222 1.00 53.35 C ATOM 98 NZ LYS A 9 11.499 -4.993 10.716 1.00 32.34 N1+ ATOM 0 H LYS A 9 13.573 -11.396 11.088 1.00 44.32 H new ATOM 0 HA LYS A 9 13.154 -9.018 9.392 1.00 23.33 H new ATOM 0 HB2 LYS A 9 14.087 -9.160 12.275 1.00 44.14 H new ATOM 0 HB3 LYS A 9 14.535 -7.823 11.235 1.00 44.14 H new ATOM 0 HG2 LYS A 9 11.861 -7.817 10.803 1.00 44.04 H new ATOM 0 HG3 LYS A 9 11.879 -8.511 12.412 1.00 44.04 H new ATOM 0 HD2 LYS A 9 11.823 -6.261 12.950 1.00 2.52 H new ATOM 0 HD3 LYS A 9 13.556 -6.524 12.937 1.00 2.52 H new ATOM 0 HE2 LYS A 9 13.378 -4.614 11.615 1.00 53.35 H new ATOM 0 HE3 LYS A 9 13.399 -5.872 10.396 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 11.646 -4.275 9.978 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 10.974 -5.797 10.317 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 10.954 -4.578 11.499 1.00 32.34 H new ATOM 112 N CYS A 10 15.215 -10.488 8.555 1.00 72.52 N ATOM 113 CA CYS A 10 16.506 -10.827 7.967 1.00 50.34 C ATOM 114 C CYS A 10 16.862 -9.859 6.843 1.00 44.02 C ATOM 115 O CYS A 10 16.003 -9.173 6.287 1.00 44.02 O ATOM 116 CB CYS A 10 16.488 -12.260 7.436 1.00 33.40 C ATOM 117 SG CYS A 10 16.945 -13.508 8.663 1.00 22.45 S ATOM 0 H CYS A 10 14.410 -10.827 8.028 1.00 72.52 H new ATOM 0 HA CYS A 10 17.265 -10.746 8.746 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.490 -12.484 7.060 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.171 -12.331 6.589 1.00 33.40 H new ATOM 0 HG CYS A 10 17.854 -14.293 8.166 1.00 22.45 H new ATOM 123 N PRO A 11 18.157 -9.800 6.501 1.00 41.21 N ATOM 124 CA PRO A 11 18.656 -8.919 5.441 1.00 32.44 C ATOM 125 C PRO A 11 18.209 -9.369 4.054 1.00 33.11 C ATOM 126 O PRO A 11 18.269 -8.602 3.092 1.00 40.40 O ATOM 127 CB PRO A 11 20.177 -9.030 5.574 1.00 52.53 C ATOM 128 CG PRO A 11 20.406 -10.358 6.208 1.00 50.33 C ATOM 129 CD PRO A 11 19.234 -10.589 7.122 1.00 12.12 C ATOM 0 HA PRO A 11 18.278 -7.902 5.545 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.665 -8.966 4.601 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.581 -8.224 6.187 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.474 -11.143 5.455 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.343 -10.368 6.765 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.974 -11.646 7.183 1.00 12.12 H new ATOM 0 HD3 PRO A 11 19.444 -10.253 8.138 1.00 12.12 H new ATOM 137 N LEU A 12 17.761 -10.616 3.958 1.00 24.44 N ATOM 138 CA LEU A 12 17.303 -11.168 2.688 1.00 13.33 C ATOM 139 C LEU A 12 16.043 -12.007 2.882 1.00 62.23 C ATOM 140 O LEU A 12 16.015 -12.920 3.706 1.00 61.54 O ATOM 141 CB LEU A 12 18.404 -12.020 2.053 1.00 1.41 C ATOM 142 CG LEU A 12 18.017 -12.778 0.783 1.00 23.13 C ATOM 143 CD1 LEU A 12 17.592 -11.809 -0.309 1.00 43.24 C ATOM 144 CD2 LEU A 12 19.173 -13.646 0.307 1.00 3.34 C ATOM 0 H LEU A 12 17.705 -11.264 4.744 1.00 24.44 H new ATOM 0 HA LEU A 12 17.066 -10.337 2.023 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.250 -11.372 1.822 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.749 -12.743 2.793 1.00 1.41 H new ATOM 0 HG LEU A 12 17.172 -13.427 1.014 1.00 23.13 H new ATOM 0 HD11 LEU A 12 17.320 -12.367 -1.205 1.00 43.24 H new ATOM 0 HD12 LEU A 12 16.734 -11.230 0.032 1.00 43.24 H new ATOM 0 HD13 LEU A 12 18.417 -11.134 -0.538 1.00 43.24 H new ATOM 0 HD21 LEU A 12 18.880 -14.178 -0.598 1.00 3.34 H new ATOM 0 HD22 LEU A 12 20.037 -13.016 0.094 1.00 3.34 H new ATOM 0 HD23 LEU A 12 19.431 -14.366 1.084 1.00 3.34 H new ATOM 156 N MET A 13 15.005 -11.692 2.114 1.00 42.14 N ATOM 157 CA MET A 13 13.744 -12.418 2.200 1.00 33.41 C ATOM 158 C MET A 13 13.216 -12.757 0.809 1.00 40.04 C ATOM 159 O MET A 13 13.043 -11.874 -0.032 1.00 53.03 O ATOM 160 CB MET A 13 12.706 -11.594 2.965 1.00 72.22 C ATOM 161 CG MET A 13 11.811 -12.430 3.866 1.00 31.44 C ATOM 162 SD MET A 13 10.768 -13.573 2.941 1.00 1.33 S ATOM 163 CE MET A 13 9.218 -12.675 2.920 1.00 15.23 C ATOM 0 H MET A 13 15.013 -10.939 1.426 1.00 42.14 H new ATOM 0 HA MET A 13 13.926 -13.349 2.738 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.221 -10.847 3.570 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.085 -11.053 2.251 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.430 -12.993 4.565 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.181 -11.768 4.460 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.442 -13.277 3.393 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.333 -11.738 3.465 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.935 -12.462 1.889 1.00 15.23 H new ATOM 173 N VAL A 14 12.963 -14.040 0.573 1.00 0.34 N ATOM 174 CA VAL A 14 12.454 -14.495 -0.715 1.00 54.11 C ATOM 175 C VAL A 14 11.055 -15.082 -0.577 1.00 75.31 C ATOM 176 O VAL A 14 10.870 -16.143 0.021 1.00 44.51 O ATOM 177 CB VAL A 14 13.383 -15.551 -1.344 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.939 -15.876 -2.762 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.826 -15.069 -1.327 1.00 54.20 C ATOM 0 H VAL A 14 13.102 -14.783 1.257 1.00 0.34 H new ATOM 0 HA VAL A 14 12.415 -13.622 -1.366 1.00 54.11 H new ATOM 0 HB VAL A 14 13.321 -16.463 -0.751 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.607 -16.624 -3.190 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.921 -16.266 -2.744 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.970 -14.971 -3.369 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.468 -15.827 -1.775 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.907 -14.143 -1.896 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.138 -14.891 -0.298 1.00 54.20 H new ATOM 189 N LYS A 15 10.070 -14.387 -1.136 1.00 45.14 N ATOM 190 CA LYS A 15 8.684 -14.840 -1.078 1.00 34.42 C ATOM 191 C LYS A 15 8.293 -15.559 -2.364 1.00 3.44 C ATOM 192 O LYS A 15 8.297 -14.969 -3.445 1.00 33.44 O ATOM 193 CB LYS A 15 7.748 -13.653 -0.840 1.00 23.14 C ATOM 194 CG LYS A 15 6.414 -14.044 -0.229 1.00 20.51 C ATOM 195 CD LYS A 15 6.461 -14.001 1.289 1.00 21.44 C ATOM 196 CE LYS A 15 6.104 -12.620 1.819 1.00 61.00 C ATOM 197 NZ LYS A 15 5.833 -12.641 3.283 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.205 -13.508 -1.635 1.00 45.14 H new ATOM 0 HA LYS A 15 8.591 -15.541 -0.248 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.243 -12.937 -0.184 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.569 -13.146 -1.788 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.637 -13.370 -0.589 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.143 -15.047 -0.557 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.769 -14.738 1.697 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.459 -14.277 1.631 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.921 -11.929 1.611 1.00 61.00 H new ATOM 0 HE3 LYS A 15 5.226 -12.245 1.293 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.948 -12.132 3.479 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 5.745 -13.626 3.606 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 6.617 -12.180 3.788 1.00 31.20 H new ATOM 211 N VAL A 16 7.954 -16.839 -2.242 1.00 43.13 N ATOM 212 CA VAL A 16 7.558 -17.639 -3.394 1.00 14.13 C ATOM 213 C VAL A 16 6.046 -17.830 -3.437 1.00 22.53 C ATOM 214 O VAL A 16 5.493 -18.651 -2.703 1.00 43.30 O ATOM 215 CB VAL A 16 8.239 -19.020 -3.380 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.866 -19.813 -4.624 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.748 -18.869 -3.267 1.00 0.34 C ATOM 0 H VAL A 16 7.946 -17.344 -1.356 1.00 43.13 H new ATOM 0 HA VAL A 16 7.878 -17.094 -4.282 1.00 14.13 H new ATOM 0 HB VAL A 16 7.886 -19.571 -2.508 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.357 -20.786 -4.596 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.785 -19.952 -4.656 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.188 -19.269 -5.512 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.213 -19.855 -3.259 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.121 -18.299 -4.118 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.993 -18.344 -2.343 1.00 0.34 H new ATOM 227 N LEU A 17 5.382 -17.068 -4.299 1.00 52.23 N ATOM 228 CA LEU A 17 3.933 -17.155 -4.438 1.00 52.32 C ATOM 229 C LEU A 17 3.548 -17.696 -5.811 1.00 63.31 C ATOM 230 O LEU A 17 4.323 -17.608 -6.764 1.00 71.44 O ATOM 231 CB LEU A 17 3.298 -15.780 -4.224 1.00 44.04 C ATOM 232 CG LEU A 17 2.528 -15.592 -2.916 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.349 -14.782 -1.924 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.189 -14.919 -3.178 1.00 53.44 C ATOM 0 H LEU A 17 5.824 -16.383 -4.912 1.00 52.23 H new ATOM 0 HA LEU A 17 3.561 -17.844 -3.679 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.085 -15.027 -4.270 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.619 -15.583 -5.054 1.00 44.04 H new ATOM 0 HG LEU A 17 2.340 -16.575 -2.483 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.785 -14.659 -1.000 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.282 -15.304 -1.712 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.569 -13.802 -2.348 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.655 -14.793 -2.236 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.355 -13.943 -3.634 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.596 -15.538 -3.852 1.00 53.44 H new ATOM 246 N ASP A 18 2.347 -18.255 -5.906 1.00 52.03 N ATOM 247 CA ASP A 18 1.857 -18.808 -7.164 1.00 1.53 C ATOM 248 C ASP A 18 0.928 -17.822 -7.866 1.00 31.30 C ATOM 249 O ASP A 18 0.038 -17.243 -7.244 1.00 2.31 O ATOM 250 CB ASP A 18 1.128 -20.128 -6.915 1.00 21.40 C ATOM 251 CG ASP A 18 1.086 -21.008 -8.149 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.250 -20.473 -9.265 1.00 53.44 O ATOM 253 OD2 ASP A 18 0.890 -22.231 -7.998 1.00 31.41 O1- ATOM 0 H ASP A 18 1.694 -18.337 -5.127 1.00 52.03 H new ATOM 0 HA ASP A 18 2.715 -18.993 -7.810 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.622 -20.666 -6.106 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.110 -19.921 -6.585 1.00 21.40 H new ATOM 258 N ALA A 19 1.142 -17.637 -9.164 1.00 54.11 N ATOM 259 CA ALA A 19 0.323 -16.722 -9.950 1.00 4.04 C ATOM 260 C ALA A 19 -0.933 -17.417 -10.467 1.00 72.45 C ATOM 261 O ALA A 19 -1.924 -16.764 -10.795 1.00 54.10 O ATOM 262 CB ALA A 19 1.129 -16.155 -11.109 1.00 64.31 C ATOM 0 H ALA A 19 1.875 -18.108 -9.694 1.00 54.11 H new ATOM 0 HA ALA A 19 0.013 -15.902 -9.302 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.505 -15.474 -11.687 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.993 -15.615 -10.722 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.467 -16.969 -11.750 1.00 64.31 H new ATOM 268 N VAL A 20 -0.884 -18.744 -10.536 1.00 1.32 N ATOM 269 CA VAL A 20 -2.019 -19.526 -11.011 1.00 4.11 C ATOM 270 C VAL A 20 -2.985 -19.841 -9.875 1.00 34.21 C ATOM 271 O VAL A 20 -4.192 -19.961 -10.088 1.00 24.34 O ATOM 272 CB VAL A 20 -1.557 -20.845 -11.659 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.754 -21.725 -11.989 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.732 -20.566 -12.905 1.00 1.33 C ATOM 0 H VAL A 20 -0.071 -19.299 -10.269 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.530 -18.920 -11.759 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.928 -21.379 -10.947 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.409 -22.652 -12.446 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.301 -21.953 -11.074 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.411 -21.201 -12.683 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.414 -21.509 -13.350 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.335 -20.011 -13.624 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.145 -19.978 -12.636 1.00 1.33 H new ATOM 284 N ARG A 21 -2.446 -19.974 -8.668 1.00 70.43 N ATOM 285 CA ARG A 21 -3.261 -20.275 -7.497 1.00 40.24 C ATOM 286 C ARG A 21 -3.452 -19.033 -6.632 1.00 25.13 C ATOM 287 O ARG A 21 -4.406 -18.941 -5.861 1.00 25.45 O ATOM 288 CB ARG A 21 -2.613 -21.390 -6.672 1.00 54.04 C ATOM 289 CG ARG A 21 -2.072 -22.534 -7.514 1.00 23.13 C ATOM 290 CD ARG A 21 -1.340 -23.556 -6.658 1.00 70.24 C ATOM 291 NE ARG A 21 -2.259 -24.486 -6.009 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.789 -24.279 -4.809 1.00 13.33 C ATOM 293 NH1 ARG A 21 -2.493 -23.179 -4.131 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.618 -25.173 -4.285 1.00 42.11 N ATOM 0 H ARG A 21 -1.449 -19.878 -8.475 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.239 -20.609 -7.843 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.800 -20.968 -6.082 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.347 -21.783 -5.968 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.893 -23.020 -8.041 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.395 -22.141 -8.272 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.639 -24.114 -7.279 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.752 -23.039 -5.900 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.508 -25.342 -6.504 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -1.857 -22.489 -4.531 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -2.901 -23.022 -3.210 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.849 -26.020 -4.804 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.024 -25.013 -3.363 1.00 42.11 H new ATOM 308 N GLY A 22 -2.534 -18.080 -6.765 1.00 14.01 N ATOM 309 CA GLY A 22 -2.619 -16.856 -5.989 1.00 71.33 C ATOM 310 C GLY A 22 -2.287 -17.072 -4.526 1.00 55.30 C ATOM 311 O GLY A 22 -2.670 -16.274 -3.671 1.00 35.44 O ATOM 0 H GLY A 22 -1.734 -18.134 -7.395 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.937 -16.116 -6.408 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.625 -16.445 -6.073 1.00 71.33 H new ATOM 315 N SER A 23 -1.573 -18.155 -4.237 1.00 52.31 N ATOM 316 CA SER A 23 -1.194 -18.478 -2.866 1.00 31.20 C ATOM 317 C SER A 23 0.280 -18.864 -2.787 1.00 73.43 C ATOM 318 O SER A 23 0.907 -19.227 -3.782 1.00 43.22 O ATOM 319 CB SER A 23 -2.062 -19.618 -2.330 1.00 51.44 C ATOM 320 OG SER A 23 -3.228 -19.118 -1.698 1.00 24.23 O ATOM 0 H SER A 23 -1.245 -18.824 -4.934 1.00 52.31 H new ATOM 0 HA SER A 23 -1.353 -17.591 -2.252 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.344 -20.280 -3.149 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.488 -20.214 -1.621 1.00 51.44 H new ATOM 0 HG SER A 23 -3.766 -19.866 -1.366 1.00 24.23 H new ATOM 326 N PRO A 24 0.846 -18.785 -1.574 1.00 13.40 N ATOM 327 CA PRO A 24 2.252 -19.123 -1.334 1.00 34.35 C ATOM 328 C PRO A 24 2.522 -20.617 -1.469 1.00 53.53 C ATOM 329 O PRO A 24 1.738 -21.443 -1.003 1.00 40.42 O ATOM 330 CB PRO A 24 2.486 -18.666 0.108 1.00 12.41 C ATOM 331 CG PRO A 24 1.138 -18.710 0.742 1.00 62.31 C ATOM 332 CD PRO A 24 0.159 -18.359 -0.343 1.00 53.31 C ATOM 0 HA PRO A 24 2.913 -18.649 -2.059 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.187 -19.323 0.623 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.907 -17.661 0.142 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.931 -19.699 1.150 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.073 -18.004 1.570 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.790 -18.879 -0.212 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.062 -17.292 -0.355 1.00 53.31 H new ATOM 340 N ALA A 25 3.635 -20.958 -2.110 1.00 24.51 N ATOM 341 CA ALA A 25 4.008 -22.354 -2.304 1.00 10.44 C ATOM 342 C ALA A 25 4.705 -22.912 -1.068 1.00 33.45 C ATOM 343 O ALA A 25 5.407 -22.190 -0.361 1.00 43.13 O ATOM 344 CB ALA A 25 4.903 -22.496 -3.527 1.00 61.41 C ATOM 0 H ALA A 25 4.294 -20.287 -2.504 1.00 24.51 H new ATOM 0 HA ALA A 25 3.097 -22.929 -2.466 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.174 -23.543 -3.660 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.370 -22.144 -4.410 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.807 -21.902 -3.388 1.00 61.41 H new ATOM 350 N ILE A 26 4.505 -24.201 -0.815 1.00 22.35 N ATOM 351 CA ILE A 26 5.116 -24.856 0.336 1.00 34.21 C ATOM 352 C ILE A 26 6.222 -25.811 -0.098 1.00 14.43 C ATOM 353 O ILE A 26 6.116 -26.472 -1.130 1.00 25.11 O ATOM 354 CB ILE A 26 4.073 -25.636 1.158 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.131 -24.668 1.879 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.764 -26.553 2.156 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.087 -25.360 2.726 1.00 11.52 C ATOM 0 H ILE A 26 3.926 -24.812 -1.390 1.00 22.35 H new ATOM 0 HA ILE A 26 5.543 -24.069 0.958 1.00 34.21 H new ATOM 0 HB ILE A 26 3.482 -26.250 0.479 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.720 -24.005 2.513 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.631 -24.042 1.140 1.00 3.20 H new ATOM 0 HG21 ILE A 26 4.014 -27.098 2.730 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.397 -27.261 1.622 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.377 -25.958 2.833 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.455 -24.613 3.207 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.473 -26.002 2.094 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.579 -25.964 3.488 1.00 11.52 H new ATOM 369 N ASN A 27 7.284 -25.880 0.699 1.00 12.42 N ATOM 370 CA ASN A 27 8.410 -26.756 0.398 1.00 73.32 C ATOM 371 C ASN A 27 9.022 -26.409 -0.957 1.00 13.34 C ATOM 372 O ASN A 27 9.227 -27.283 -1.799 1.00 65.22 O ATOM 373 CB ASN A 27 7.962 -28.219 0.407 1.00 73.52 C ATOM 374 CG ASN A 27 7.837 -28.776 1.813 1.00 73.20 C ATOM 375 OD1 ASN A 27 7.394 -27.939 2.743 1.00 43.32 O flip ATOM 376 ND2 ASN A 27 8.136 -29.945 2.058 1.00 31.42 N flip ATOM 0 H ASN A 27 7.388 -25.340 1.558 1.00 12.42 H new ATOM 0 HA ASN A 27 9.168 -26.610 1.168 1.00 73.32 H new ATOM 0 HB2 ASN A 27 7.002 -28.306 -0.102 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.677 -28.819 -0.156 1.00 73.52 H new ATOM 0 HD21 ASN A 27 8.472 -30.553 1.311 1.00 31.42 H new ATOM 0 HD22 ASN A 27 8.047 -30.306 3.008 1.00 31.42 H new ATOM 383 N VAL A 28 9.312 -25.128 -1.158 1.00 10.34 N ATOM 384 CA VAL A 28 9.902 -24.665 -2.407 1.00 3.15 C ATOM 385 C VAL A 28 11.425 -24.650 -2.325 1.00 50.12 C ATOM 386 O VAL A 28 12.018 -23.714 -1.788 1.00 52.30 O ATOM 387 CB VAL A 28 9.406 -23.254 -2.775 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.117 -22.744 -4.018 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.897 -23.256 -2.976 1.00 33.20 C ATOM 0 H VAL A 28 9.148 -24.392 -0.471 1.00 10.34 H new ATOM 0 HA VAL A 28 9.589 -25.366 -3.181 1.00 3.15 H new ATOM 0 HB VAL A 28 9.640 -22.580 -1.951 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.753 -21.746 -4.262 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.190 -22.703 -3.832 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.918 -23.417 -4.852 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.563 -22.251 -3.235 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.638 -23.944 -3.781 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.408 -23.574 -2.056 1.00 33.20 H new ATOM 399 N ALA A 29 12.051 -25.693 -2.858 1.00 21.11 N ATOM 400 CA ALA A 29 13.505 -25.799 -2.847 1.00 13.43 C ATOM 401 C ALA A 29 14.150 -24.562 -3.462 1.00 73.30 C ATOM 402 O ALA A 29 14.081 -24.351 -4.673 1.00 24.22 O ATOM 403 CB ALA A 29 13.949 -27.052 -3.587 1.00 1.22 C ATOM 0 H ALA A 29 11.574 -26.477 -3.303 1.00 21.11 H new ATOM 0 HA ALA A 29 13.832 -25.869 -1.809 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.037 -27.118 -3.571 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.525 -27.931 -3.101 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.604 -27.006 -4.620 1.00 1.22 H new ATOM 409 N VAL A 30 14.778 -23.747 -2.620 1.00 52.51 N ATOM 410 CA VAL A 30 15.436 -22.531 -3.081 1.00 62.05 C ATOM 411 C VAL A 30 16.917 -22.537 -2.721 1.00 64.44 C ATOM 412 O VAL A 30 17.307 -23.021 -1.658 1.00 3.33 O ATOM 413 CB VAL A 30 14.779 -21.274 -2.481 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.423 -20.015 -3.040 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.281 -21.279 -2.747 1.00 50.55 C ATOM 0 H VAL A 30 14.845 -23.907 -1.615 1.00 52.51 H new ATOM 0 HA VAL A 30 15.328 -22.506 -4.165 1.00 62.05 H new ATOM 0 HB VAL A 30 14.935 -21.284 -1.402 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.945 -19.138 -2.604 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.485 -20.010 -2.794 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.301 -19.994 -4.123 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.832 -20.384 -2.316 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.102 -21.293 -3.822 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.834 -22.163 -2.293 1.00 50.55 H new ATOM 425 N HIS A 31 17.741 -21.995 -3.614 1.00 4.33 N ATOM 426 CA HIS A 31 19.181 -21.938 -3.390 1.00 20.44 C ATOM 427 C HIS A 31 19.718 -20.538 -3.668 1.00 70.41 C ATOM 428 O HIS A 31 19.190 -19.815 -4.514 1.00 62.13 O ATOM 429 CB HIS A 31 19.898 -22.957 -4.275 1.00 42.03 C ATOM 430 CG HIS A 31 19.155 -24.250 -4.423 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.559 -25.039 -3.499 1.00 72.51 N flip ATOM 432 CD2 HIS A 31 18.960 -24.871 -5.638 1.00 21.01 C flip ATOM 433 CE1 HIS A 31 18.019 -26.110 -4.167 1.00 63.14 C flip ATOM 434 NE2 HIS A 31 18.275 -25.985 -5.457 1.00 23.04 N flip ATOM 0 H HIS A 31 17.435 -21.590 -4.499 1.00 4.33 H new ATOM 0 HA HIS A 31 19.371 -22.180 -2.344 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.054 -22.522 -5.262 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.884 -23.160 -3.856 1.00 42.03 H new ATOM 0 HD1 HIS A 31 18.519 -24.870 -2.494 1.00 72.51 H new ATOM 0 HD2 HIS A 31 19.313 -24.503 -6.590 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.473 -26.923 -3.712 1.00 63.14 H new ATOM 442 N VAL A 32 20.771 -20.159 -2.951 1.00 33.14 N ATOM 443 CA VAL A 32 21.381 -18.845 -3.121 1.00 13.25 C ATOM 444 C VAL A 32 22.893 -18.956 -3.280 1.00 62.02 C ATOM 445 O VAL A 32 23.578 -19.511 -2.419 1.00 63.22 O ATOM 446 CB VAL A 32 21.066 -17.923 -1.929 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.475 -16.490 -2.240 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.590 -17.999 -1.572 1.00 30.45 C ATOM 0 H VAL A 32 21.220 -20.744 -2.246 1.00 33.14 H new ATOM 0 HA VAL A 32 20.956 -18.413 -4.027 1.00 13.25 H new ATOM 0 HB VAL A 32 21.642 -18.262 -1.068 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.245 -15.853 -1.386 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.545 -16.453 -2.443 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.928 -16.137 -3.114 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.386 -17.341 -0.727 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.992 -17.687 -2.428 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.333 -19.024 -1.304 1.00 30.45 H new ATOM 458 N PHE A 33 23.408 -18.427 -4.384 1.00 14.51 N ATOM 459 CA PHE A 33 24.840 -18.467 -4.655 1.00 10.33 C ATOM 460 C PHE A 33 25.407 -17.058 -4.798 1.00 51.44 C ATOM 461 O PHE A 33 24.667 -16.101 -5.032 1.00 61.13 O ATOM 462 CB PHE A 33 25.117 -19.272 -5.927 1.00 54.22 C ATOM 463 CG PHE A 33 24.721 -20.717 -5.820 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.387 -21.088 -5.868 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.682 -21.703 -5.672 1.00 63.43 C ATOM 466 CE1 PHE A 33 23.019 -22.417 -5.770 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.320 -23.033 -5.576 1.00 51.24 C ATOM 468 CZ PHE A 33 23.987 -23.390 -5.623 1.00 15.51 C ATOM 0 H PHE A 33 22.855 -17.965 -5.106 1.00 14.51 H new ATOM 0 HA PHE A 33 25.330 -18.952 -3.811 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.580 -18.817 -6.759 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.180 -19.211 -6.162 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.626 -20.330 -5.983 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.726 -21.429 -5.631 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.976 -22.694 -5.808 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.079 -23.793 -5.464 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.702 -24.429 -5.545 1.00 15.51 H new ATOM 478 N ARG A 34 26.722 -16.938 -4.654 1.00 32.15 N ATOM 479 CA ARG A 34 27.388 -15.645 -4.766 1.00 13.44 C ATOM 480 C ARG A 34 28.417 -15.659 -5.892 1.00 21.02 C ATOM 481 O ARG A 34 29.051 -16.681 -6.156 1.00 3.34 O ATOM 482 CB ARG A 34 28.067 -15.283 -3.444 1.00 72.25 C ATOM 483 CG ARG A 34 28.688 -13.895 -3.438 1.00 3.34 C ATOM 484 CD ARG A 34 29.455 -13.633 -2.152 1.00 53.42 C ATOM 485 NE ARG A 34 30.584 -12.730 -2.361 1.00 31.04 N ATOM 486 CZ ARG A 34 31.620 -12.644 -1.535 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.670 -13.403 -0.448 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.609 -11.799 -1.794 1.00 2.43 N ATOM 0 H ARG A 34 27.348 -17.720 -4.460 1.00 32.15 H new ATOM 0 HA ARG A 34 26.633 -14.894 -4.997 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.334 -15.348 -2.639 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.842 -16.019 -3.230 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.359 -13.792 -4.291 1.00 3.34 H new ATOM 0 HG3 ARG A 34 27.906 -13.145 -3.556 1.00 3.34 H new ATOM 0 HD2 ARG A 34 28.782 -13.205 -1.409 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.817 -14.578 -1.747 1.00 53.42 H new ATOM 0 HE ARG A 34 30.576 -12.132 -3.187 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.912 -14.054 -0.245 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.467 -13.335 0.185 1.00 44.53 H new ATOM 0 HH21 ARG A 34 32.574 -11.214 -2.629 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.404 -11.734 -1.158 1.00 2.43 H new ATOM 502 N LYS A 35 28.580 -14.518 -6.553 1.00 54.20 N ATOM 503 CA LYS A 35 29.532 -14.397 -7.650 1.00 73.31 C ATOM 504 C LYS A 35 30.966 -14.471 -7.136 1.00 71.34 C ATOM 505 O LYS A 35 31.397 -13.628 -6.349 1.00 63.22 O ATOM 506 CB LYS A 35 29.314 -13.080 -8.399 1.00 24.12 C ATOM 507 CG LYS A 35 30.446 -12.726 -9.347 1.00 14.42 C ATOM 508 CD LYS A 35 30.633 -13.791 -10.415 1.00 34.13 C ATOM 509 CE LYS A 35 29.469 -13.807 -11.395 1.00 42.22 C ATOM 510 NZ LYS A 35 29.412 -12.560 -12.208 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.064 -13.663 -6.347 1.00 54.20 H new ATOM 0 HA LYS A 35 29.367 -15.229 -8.335 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.384 -13.143 -8.964 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.193 -12.275 -7.674 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.238 -11.767 -9.821 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.371 -12.609 -8.783 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.562 -13.608 -10.955 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.726 -14.769 -9.943 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.563 -14.668 -12.057 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.534 -13.927 -10.847 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.795 -12.711 -13.032 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.032 -11.785 -11.628 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.369 -12.313 -12.532 1.00 53.31 H new ATOM 524 N ALA A 36 31.700 -15.482 -7.587 1.00 33.44 N ATOM 525 CA ALA A 36 33.088 -15.662 -7.175 1.00 70.02 C ATOM 526 C ALA A 36 34.026 -14.808 -8.020 1.00 20.11 C ATOM 527 O ALA A 36 33.584 -14.050 -8.882 1.00 35.22 O ATOM 528 CB ALA A 36 33.479 -17.130 -7.268 1.00 3.22 C ATOM 0 H ALA A 36 31.358 -16.189 -8.238 1.00 33.44 H new ATOM 0 HA ALA A 36 33.179 -15.338 -6.138 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.517 -17.250 -6.958 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.835 -17.720 -6.616 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.366 -17.472 -8.297 1.00 3.22 H new ATOM 534 N ALA A 37 35.325 -14.936 -7.765 1.00 24.23 N ATOM 535 CA ALA A 37 36.326 -14.176 -8.503 1.00 41.33 C ATOM 536 C ALA A 37 36.619 -14.822 -9.853 1.00 62.24 C ATOM 537 O ALA A 37 37.314 -14.245 -10.691 1.00 15.13 O ATOM 538 CB ALA A 37 37.603 -14.054 -7.686 1.00 20.34 C ATOM 0 H ALA A 37 35.708 -15.559 -7.053 1.00 24.23 H new ATOM 0 HA ALA A 37 35.928 -13.178 -8.686 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.342 -13.484 -8.249 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.387 -13.542 -6.748 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.996 -15.048 -7.474 1.00 20.34 H new ATOM 544 N ASP A 38 36.086 -16.022 -10.059 1.00 62.14 N ATOM 545 CA ASP A 38 36.291 -16.745 -11.308 1.00 4.12 C ATOM 546 C ASP A 38 35.039 -16.693 -12.178 1.00 0.42 C ATOM 547 O ASP A 38 34.785 -17.598 -12.973 1.00 23.13 O ATOM 548 CB ASP A 38 36.670 -18.200 -11.023 1.00 0.10 C ATOM 549 CG ASP A 38 37.522 -18.801 -12.124 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.547 -18.186 -12.484 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.164 -19.888 -12.624 1.00 5.41 O ATOM 0 H ASP A 38 35.509 -16.514 -9.377 1.00 62.14 H new ATOM 0 HA ASP A 38 37.107 -16.264 -11.848 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.211 -18.253 -10.078 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.763 -18.793 -10.905 1.00 0.10 H new ATOM 556 N ASP A 39 34.260 -15.628 -12.021 1.00 22.23 N ATOM 557 CA ASP A 39 33.034 -15.458 -12.792 1.00 13.11 C ATOM 558 C ASP A 39 32.089 -16.637 -12.577 1.00 31.25 C ATOM 559 O ASP A 39 31.257 -16.942 -13.432 1.00 44.13 O ATOM 560 CB ASP A 39 33.358 -15.311 -14.279 1.00 2.13 C ATOM 561 CG ASP A 39 34.053 -14.002 -14.594 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.590 -12.950 -14.103 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.061 -14.027 -15.332 1.00 22.43 O ATOM 0 H ASP A 39 34.456 -14.870 -11.367 1.00 22.23 H new ATOM 0 HA ASP A 39 32.538 -14.551 -12.446 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.992 -16.140 -14.593 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.436 -15.378 -14.857 1.00 2.13 H new ATOM 568 N THR A 40 32.225 -17.296 -11.432 1.00 30.11 N ATOM 569 CA THR A 40 31.385 -18.442 -11.106 1.00 25.33 C ATOM 570 C THR A 40 30.425 -18.115 -9.969 1.00 51.15 C ATOM 571 O THR A 40 30.376 -16.982 -9.492 1.00 63.30 O ATOM 572 CB THR A 40 32.234 -19.665 -10.710 1.00 62.55 C ATOM 573 OG1 THR A 40 32.942 -19.397 -9.494 1.00 73.04 O ATOM 574 CG2 THR A 40 33.222 -20.018 -11.811 1.00 33.22 C ATOM 0 H THR A 40 32.909 -17.056 -10.714 1.00 30.11 H new ATOM 0 HA THR A 40 30.813 -18.680 -12.003 1.00 25.33 H new ATOM 0 HB THR A 40 31.564 -20.512 -10.561 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.478 -20.180 -9.248 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.810 -20.884 -11.508 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.678 -20.250 -12.727 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.887 -19.172 -11.988 1.00 33.22 H new ATOM 582 N TRP A 41 29.662 -19.113 -9.540 1.00 51.02 N ATOM 583 CA TRP A 41 28.702 -18.931 -8.457 1.00 63.44 C ATOM 584 C TRP A 41 28.957 -19.925 -7.330 1.00 42.43 C ATOM 585 O TRP A 41 28.798 -21.132 -7.507 1.00 72.23 O ATOM 586 CB TRP A 41 27.274 -19.091 -8.981 1.00 61.33 C ATOM 587 CG TRP A 41 26.928 -18.118 -10.067 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.843 -18.379 -11.405 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.622 -16.728 -9.907 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.503 -17.236 -12.086 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.360 -16.209 -11.191 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.541 -15.873 -8.806 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.026 -14.873 -11.399 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.210 -14.547 -9.014 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.955 -14.058 -10.302 1.00 4.00 C ATOM 0 H TRP A 41 29.689 -20.057 -9.925 1.00 51.02 H new ATOM 0 HA TRP A 41 28.826 -17.923 -8.062 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.144 -20.106 -9.357 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.575 -18.966 -8.154 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.018 -19.343 -11.860 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.377 -17.163 -13.096 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.734 -16.241 -7.809 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.830 -14.494 -12.391 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.147 -13.877 -8.169 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.697 -13.017 -10.432 1.00 4.00 H new ATOM 606 N GLU A 42 29.353 -19.410 -6.170 1.00 14.31 N ATOM 607 CA GLU A 42 29.630 -20.255 -5.014 1.00 22.31 C ATOM 608 C GLU A 42 28.395 -20.386 -4.128 1.00 30.22 C ATOM 609 O GLU A 42 27.491 -19.550 -4.151 1.00 23.11 O ATOM 610 CB GLU A 42 30.795 -19.683 -4.204 1.00 42.11 C ATOM 611 CG GLU A 42 32.160 -20.108 -4.716 1.00 72.32 C ATOM 612 CD GLU A 42 33.205 -20.166 -3.618 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.344 -21.236 -2.989 1.00 22.45 O ATOM 614 OE2 GLU A 42 33.881 -19.142 -3.386 1.00 22.10 O1- ATOM 0 H GLU A 42 29.489 -18.413 -6.006 1.00 14.31 H new ATOM 0 HA GLU A 42 29.902 -21.246 -5.377 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.735 -18.595 -4.216 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.692 -19.997 -3.165 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.078 -21.088 -5.186 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.487 -19.411 -5.487 1.00 72.32 H new ATOM 621 N PRO A 43 28.354 -21.461 -3.326 1.00 55.32 N ATOM 622 CA PRO A 43 27.236 -21.728 -2.416 1.00 0.45 C ATOM 623 C PRO A 43 27.184 -20.739 -1.257 1.00 61.23 C ATOM 624 O PRO A 43 28.133 -20.626 -0.481 1.00 55.41 O ATOM 625 CB PRO A 43 27.527 -23.141 -1.902 1.00 61.34 C ATOM 626 CG PRO A 43 29.003 -23.295 -2.034 1.00 40.42 C ATOM 627 CD PRO A 43 29.397 -22.498 -3.246 1.00 75.22 C ATOM 0 HA PRO A 43 26.272 -21.632 -2.915 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.208 -23.259 -0.867 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.997 -23.892 -2.487 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.514 -22.929 -1.144 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.277 -24.344 -2.151 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.390 -22.062 -3.135 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.419 -23.116 -4.144 1.00 75.22 H new ATOM 635 N PHE A 44 26.069 -20.026 -1.144 1.00 1.12 N ATOM 636 CA PHE A 44 25.893 -19.046 -0.078 1.00 62.35 C ATOM 637 C PHE A 44 24.885 -19.542 0.956 1.00 72.22 C ATOM 638 O PHE A 44 25.182 -19.600 2.149 1.00 41.04 O ATOM 639 CB PHE A 44 25.429 -17.708 -0.658 1.00 22.21 C ATOM 640 CG PHE A 44 25.316 -16.617 0.368 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.445 -16.127 1.005 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.081 -16.081 0.696 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.344 -15.124 1.950 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.973 -15.076 1.640 1.00 23.30 C ATOM 645 CZ PHE A 44 25.106 -14.597 2.267 1.00 2.44 C ATOM 0 H PHE A 44 25.273 -20.108 -1.777 1.00 1.12 H new ATOM 0 HA PHE A 44 26.855 -18.906 0.416 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.128 -17.395 -1.434 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.460 -17.846 -1.139 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.415 -16.534 0.760 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.192 -16.453 0.208 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.231 -14.752 2.440 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.004 -14.667 1.886 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.025 -13.812 3.004 1.00 2.44 H new ATOM 655 N ALA A 45 23.692 -19.896 0.488 1.00 74.54 N ATOM 656 CA ALA A 45 22.642 -20.388 1.370 1.00 71.13 C ATOM 657 C ALA A 45 21.609 -21.197 0.595 1.00 63.11 C ATOM 658 O ALA A 45 21.681 -21.305 -0.629 1.00 0.42 O ATOM 659 CB ALA A 45 21.973 -19.227 2.092 1.00 14.12 C ATOM 0 H ALA A 45 23.429 -19.851 -0.497 1.00 74.54 H new ATOM 0 HA ALA A 45 23.100 -21.046 2.109 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.190 -19.609 2.748 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.714 -18.692 2.685 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.534 -18.548 1.361 1.00 14.12 H new ATOM 665 N SER A 46 20.648 -21.767 1.316 1.00 60.52 N ATOM 666 CA SER A 46 19.601 -22.572 0.695 1.00 52.32 C ATOM 667 C SER A 46 18.519 -22.930 1.708 1.00 40.50 C ATOM 668 O SER A 46 18.774 -22.991 2.911 1.00 65.02 O ATOM 669 CB SER A 46 20.197 -23.847 0.095 1.00 70.12 C ATOM 670 OG SER A 46 19.242 -24.893 0.072 1.00 13.53 O ATOM 0 H SER A 46 20.573 -21.687 2.330 1.00 60.52 H new ATOM 0 HA SER A 46 19.147 -21.982 -0.102 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.547 -23.647 -0.918 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.065 -24.156 0.677 1.00 70.12 H new ATOM 0 HG SER A 46 19.646 -25.696 -0.317 1.00 13.53 H new ATOM 676 N GLY A 47 17.308 -23.167 1.213 1.00 11.14 N ATOM 677 CA GLY A 47 16.204 -23.517 2.087 1.00 1.53 C ATOM 678 C GLY A 47 14.896 -23.673 1.336 1.00 63.12 C ATOM 679 O GLY A 47 14.850 -23.515 0.116 1.00 62.23 O ATOM 0 H GLY A 47 17.072 -23.123 0.222 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.435 -24.448 2.604 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.091 -22.747 2.851 1.00 1.53 H new ATOM 683 N LYS A 48 13.830 -23.984 2.065 1.00 51.41 N ATOM 684 CA LYS A 48 12.515 -24.162 1.462 1.00 3.33 C ATOM 685 C LYS A 48 11.502 -23.197 2.070 1.00 14.54 C ATOM 686 O LYS A 48 11.693 -22.698 3.179 1.00 53.10 O ATOM 687 CB LYS A 48 12.036 -25.604 1.648 1.00 54.50 C ATOM 688 CG LYS A 48 12.910 -26.630 0.948 1.00 35.21 C ATOM 689 CD LYS A 48 12.491 -28.049 1.294 1.00 13.00 C ATOM 690 CE LYS A 48 13.482 -29.070 0.755 1.00 55.05 C ATOM 691 NZ LYS A 48 13.087 -30.463 1.104 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.851 -24.118 3.076 1.00 51.41 H new ATOM 0 HA LYS A 48 12.600 -23.948 0.397 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.004 -25.833 2.713 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.016 -25.691 1.272 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.850 -26.485 -0.131 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.951 -26.477 1.233 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.413 -28.153 2.376 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.502 -28.248 0.882 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.551 -28.973 -0.328 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.473 -28.862 1.158 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.787 -31.129 0.719 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.046 -30.563 2.138 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.152 -30.671 0.698 1.00 60.34 H new ATOM 705 N THR A 49 10.423 -22.939 1.336 1.00 35.43 N ATOM 706 CA THR A 49 9.381 -22.033 1.803 1.00 51.31 C ATOM 707 C THR A 49 8.345 -22.774 2.640 1.00 3.20 C ATOM 708 O THR A 49 8.328 -24.005 2.679 1.00 55.41 O ATOM 709 CB THR A 49 8.673 -21.337 0.626 1.00 40.10 C ATOM 710 OG1 THR A 49 7.993 -22.307 -0.179 1.00 34.44 O ATOM 711 CG2 THR A 49 9.669 -20.570 -0.229 1.00 72.54 C ATOM 0 H THR A 49 10.249 -23.345 0.417 1.00 35.43 H new ATOM 0 HA THR A 49 9.870 -21.278 2.419 1.00 51.31 H new ATOM 0 HB THR A 49 7.949 -20.631 1.033 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.026 -22.158 -0.124 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.145 -20.087 -1.054 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.164 -19.813 0.379 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.414 -21.259 -0.627 1.00 72.54 H new ATOM 719 N SER A 50 7.479 -22.018 3.308 1.00 13.14 N ATOM 720 CA SER A 50 6.440 -22.603 4.146 1.00 23.01 C ATOM 721 C SER A 50 5.053 -22.195 3.658 1.00 61.40 C ATOM 722 O SER A 50 4.904 -21.658 2.561 1.00 4.13 O ATOM 723 CB SER A 50 6.627 -22.173 5.602 1.00 14.25 C ATOM 724 OG SER A 50 7.979 -22.307 6.003 1.00 22.21 O ATOM 0 H SER A 50 7.477 -20.998 3.285 1.00 13.14 H new ATOM 0 HA SER A 50 6.524 -23.688 4.081 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.310 -21.137 5.722 1.00 14.25 H new ATOM 0 HB3 SER A 50 5.991 -22.778 6.248 1.00 14.25 H new ATOM 0 HG SER A 50 8.073 -22.024 6.937 1.00 22.21 H new ATOM 730 N GLU A 51 4.042 -22.455 4.481 1.00 40.23 N ATOM 731 CA GLU A 51 2.668 -22.115 4.132 1.00 60.32 C ATOM 732 C GLU A 51 2.525 -20.617 3.877 1.00 42.55 C ATOM 733 O GLU A 51 1.567 -20.173 3.243 1.00 73.13 O ATOM 734 CB GLU A 51 1.713 -22.547 5.248 1.00 71.34 C ATOM 735 CG GLU A 51 2.200 -22.181 6.640 1.00 5.20 C ATOM 736 CD GLU A 51 1.084 -21.677 7.535 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.793 -20.463 7.493 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.501 -22.496 8.275 1.00 12.23 O ATOM 0 H GLU A 51 4.149 -22.899 5.393 1.00 40.23 H new ATOM 0 HA GLU A 51 2.411 -22.648 3.216 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.739 -22.087 5.080 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.569 -23.626 5.194 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.663 -23.054 7.100 1.00 5.20 H new ATOM 0 HG3 GLU A 51 2.971 -21.415 6.561 1.00 5.20 H new ATOM 745 N SER A 52 3.484 -19.844 4.376 1.00 0.31 N ATOM 746 CA SER A 52 3.464 -18.396 4.207 1.00 24.21 C ATOM 747 C SER A 52 4.210 -17.987 2.940 1.00 24.50 C ATOM 748 O SER A 52 3.993 -16.903 2.401 1.00 12.24 O ATOM 749 CB SER A 52 4.087 -17.710 5.423 1.00 63.01 C ATOM 750 OG SER A 52 4.714 -16.493 5.058 1.00 15.33 O ATOM 0 H SER A 52 4.285 -20.196 4.901 1.00 0.31 H new ATOM 0 HA SER A 52 2.425 -18.080 4.114 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.316 -17.516 6.169 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.817 -18.375 5.885 1.00 63.01 H new ATOM 0 HG SER A 52 4.962 -15.998 5.866 1.00 15.33 H new ATOM 756 N GLY A 53 5.092 -18.865 2.471 1.00 45.14 N ATOM 757 CA GLY A 53 5.858 -18.578 1.272 1.00 60.22 C ATOM 758 C GLY A 53 7.117 -17.785 1.565 1.00 74.10 C ATOM 759 O GLY A 53 7.895 -17.488 0.659 1.00 12.51 O ATOM 0 H GLY A 53 5.289 -19.769 2.900 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.127 -19.515 0.784 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.236 -18.021 0.572 1.00 60.22 H new ATOM 763 N GLU A 54 7.316 -17.440 2.832 1.00 43.33 N ATOM 764 CA GLU A 54 8.489 -16.675 3.240 1.00 51.21 C ATOM 765 C GLU A 54 9.649 -17.602 3.591 1.00 32.34 C ATOM 766 O GLU A 54 9.452 -18.671 4.170 1.00 45.34 O ATOM 767 CB GLU A 54 8.153 -15.785 4.440 1.00 52.21 C ATOM 768 CG GLU A 54 8.327 -16.479 5.780 1.00 3.13 C ATOM 769 CD GLU A 54 7.230 -17.489 6.060 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.149 -18.495 5.323 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.455 -17.274 7.014 1.00 3.21 O ATOM 0 H GLU A 54 6.681 -17.678 3.594 1.00 43.33 H new ATOM 0 HA GLU A 54 8.790 -16.046 2.402 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.788 -14.899 4.414 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.123 -15.441 4.349 1.00 52.21 H new ATOM 0 HG2 GLU A 54 9.294 -16.982 5.802 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.339 -15.732 6.573 1.00 3.13 H new ATOM 778 N LEU A 55 10.859 -17.186 3.233 1.00 2.41 N ATOM 779 CA LEU A 55 12.052 -17.979 3.509 1.00 22.44 C ATOM 780 C LEU A 55 13.150 -17.116 4.123 1.00 75.42 C ATOM 781 O LEU A 55 13.789 -16.321 3.432 1.00 42.00 O ATOM 782 CB LEU A 55 12.562 -18.633 2.223 1.00 1.43 C ATOM 783 CG LEU A 55 13.797 -19.523 2.366 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.597 -20.535 3.484 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.100 -20.230 1.054 1.00 12.22 C ATOM 0 H LEU A 55 11.040 -16.305 2.752 1.00 2.41 H new ATOM 0 HA LEU A 55 11.784 -18.757 4.224 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.755 -19.231 1.799 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.788 -17.846 1.504 1.00 1.43 H new ATOM 0 HG LEU A 55 14.649 -18.892 2.621 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.485 -21.160 3.572 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.428 -20.010 4.424 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.734 -21.161 3.258 1.00 65.40 H new ATOM 0 HD21 LEU A 55 14.982 -20.859 1.175 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.249 -20.849 0.769 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.286 -19.489 0.276 1.00 12.22 H new ATOM 797 N HIS A 56 13.364 -17.277 5.425 1.00 62.22 N ATOM 798 CA HIS A 56 14.386 -16.515 6.132 1.00 52.21 C ATOM 799 C HIS A 56 15.345 -17.446 6.870 1.00 65.14 C ATOM 800 O HIS A 56 15.132 -18.656 6.926 1.00 61.43 O ATOM 801 CB HIS A 56 13.738 -15.545 7.120 1.00 44.24 C ATOM 802 CG HIS A 56 12.629 -16.157 7.921 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.825 -16.727 9.161 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.310 -16.286 7.652 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.671 -17.181 9.620 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.736 -16.925 8.724 1.00 75.35 N ATOM 0 H HIS A 56 12.843 -17.929 6.012 1.00 62.22 H new ATOM 0 HA HIS A 56 14.954 -15.946 5.396 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.502 -15.168 7.801 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.349 -14.687 6.572 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.802 -15.949 6.760 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.519 -17.677 10.567 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.748 -17.163 8.813 1.00 75.35 H new ATOM 814 N GLY A 57 16.403 -16.870 7.435 1.00 54.50 N ATOM 815 CA GLY A 57 17.378 -17.663 8.161 1.00 51.11 C ATOM 816 C GLY A 57 18.386 -18.325 7.242 1.00 44.14 C ATOM 817 O GLY A 57 19.085 -19.257 7.644 1.00 3.50 O ATOM 0 H GLY A 57 16.602 -15.870 7.403 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.903 -17.026 8.872 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.861 -18.428 8.740 1.00 51.11 H new ATOM 821 N LEU A 58 18.461 -17.846 6.006 1.00 1.11 N ATOM 822 CA LEU A 58 19.390 -18.399 5.026 1.00 53.45 C ATOM 823 C LEU A 58 20.835 -18.150 5.445 1.00 62.15 C ATOM 824 O LEU A 58 21.659 -19.066 5.454 1.00 35.35 O ATOM 825 CB LEU A 58 19.134 -17.787 3.649 1.00 64.24 C ATOM 826 CG LEU A 58 18.100 -18.502 2.778 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.895 -17.755 1.470 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.527 -19.938 2.513 1.00 62.04 C ATOM 0 H LEU A 58 17.890 -17.076 5.658 1.00 1.11 H new ATOM 0 HA LEU A 58 19.226 -19.475 4.974 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.812 -16.755 3.787 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.078 -17.757 3.106 1.00 64.24 H new ATOM 0 HG LEU A 58 17.151 -18.519 3.315 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.156 -18.279 0.864 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.543 -16.745 1.679 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.839 -17.705 0.928 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.779 -20.431 1.892 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.487 -19.943 1.998 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.621 -20.470 3.460 1.00 62.04 H new ATOM 840 N THR A 59 21.138 -16.904 5.795 1.00 11.10 N ATOM 841 CA THR A 59 22.483 -16.534 6.216 1.00 32.02 C ATOM 842 C THR A 59 22.444 -15.485 7.322 1.00 65.34 C ATOM 843 O THR A 59 21.371 -15.077 7.767 1.00 12.31 O ATOM 844 CB THR A 59 23.312 -15.988 5.037 1.00 50.44 C ATOM 845 OG1 THR A 59 22.531 -15.056 4.281 1.00 55.13 O ATOM 846 CG2 THR A 59 23.774 -17.120 4.132 1.00 44.44 C ATOM 0 H THR A 59 20.469 -16.134 5.795 1.00 11.10 H new ATOM 0 HA THR A 59 22.955 -17.441 6.594 1.00 32.02 H new ATOM 0 HB THR A 59 24.190 -15.484 5.440 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.077 -14.682 3.558 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.357 -16.711 3.307 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.391 -17.814 4.703 1.00 44.44 H new ATOM 0 HG23 THR A 59 22.906 -17.647 3.736 1.00 44.44 H new ATOM 854 N THR A 60 23.621 -15.052 7.762 1.00 54.44 N ATOM 855 CA THR A 60 23.721 -14.051 8.817 1.00 13.13 C ATOM 856 C THR A 60 24.215 -12.718 8.265 1.00 21.15 C ATOM 857 O THR A 60 24.605 -12.624 7.102 1.00 14.52 O ATOM 858 CB THR A 60 24.670 -14.510 9.940 1.00 25.41 C ATOM 859 OG1 THR A 60 25.936 -14.887 9.388 1.00 64.13 O ATOM 860 CG2 THR A 60 24.075 -15.684 10.704 1.00 52.01 C ATOM 0 H THR A 60 24.519 -15.379 7.404 1.00 54.44 H new ATOM 0 HA THR A 60 22.719 -13.924 9.227 1.00 13.13 H new ATOM 0 HB THR A 60 24.809 -13.679 10.631 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.534 -15.176 10.109 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.762 -15.991 11.492 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.125 -15.386 11.147 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.911 -16.517 10.021 1.00 52.01 H new ATOM 868 N GLU A 61 24.194 -11.690 9.108 1.00 22.20 N ATOM 869 CA GLU A 61 24.639 -10.361 8.703 1.00 34.44 C ATOM 870 C GLU A 61 26.161 -10.309 8.590 1.00 75.15 C ATOM 871 O GLU A 61 26.709 -9.532 7.810 1.00 20.20 O ATOM 872 CB GLU A 61 24.153 -9.309 9.701 1.00 63.34 C ATOM 873 CG GLU A 61 24.603 -7.898 9.365 1.00 15.31 C ATOM 874 CD GLU A 61 24.134 -6.877 10.384 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.906 -6.765 10.587 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.993 -6.192 10.976 1.00 53.10 O1- ATOM 0 H GLU A 61 23.874 -11.752 10.075 1.00 22.20 H new ATOM 0 HA GLU A 61 24.211 -10.145 7.724 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.064 -9.334 9.741 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.515 -9.570 10.696 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.691 -7.872 9.305 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.223 -7.624 8.381 1.00 15.31 H new ATOM 883 N GLU A 62 26.836 -11.141 9.378 1.00 42.53 N ATOM 884 CA GLU A 62 28.293 -11.187 9.369 1.00 43.33 C ATOM 885 C GLU A 62 28.806 -11.923 8.134 1.00 65.32 C ATOM 886 O GLU A 62 29.925 -11.688 7.679 1.00 62.24 O ATOM 887 CB GLU A 62 28.812 -11.872 10.636 1.00 54.13 C ATOM 888 CG GLU A 62 28.128 -11.397 11.906 1.00 32.32 C ATOM 889 CD GLU A 62 29.115 -10.959 12.971 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.627 -11.832 13.703 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.376 -9.742 13.071 1.00 12.42 O ATOM 0 H GLU A 62 26.397 -11.791 10.030 1.00 42.53 H new ATOM 0 HA GLU A 62 28.663 -10.162 9.341 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.674 -12.949 10.540 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.884 -11.695 10.722 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.464 -10.566 11.668 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.505 -12.200 12.301 1.00 32.32 H new ATOM 898 N GLU A 63 27.978 -12.815 7.597 1.00 72.05 N ATOM 899 CA GLU A 63 28.349 -13.585 6.416 1.00 4.24 C ATOM 900 C GLU A 63 27.848 -12.907 5.144 1.00 63.22 C ATOM 901 O GLU A 63 28.457 -13.029 4.081 1.00 24.32 O ATOM 902 CB GLU A 63 27.783 -15.004 6.508 1.00 2.20 C ATOM 903 CG GLU A 63 27.978 -15.820 5.241 1.00 63.03 C ATOM 904 CD GLU A 63 29.441 -16.034 4.904 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.103 -15.057 4.493 1.00 13.21 O ATOM 906 OE2 GLU A 63 29.924 -17.176 5.051 1.00 44.51 O1- ATOM 0 H GLU A 63 27.048 -13.021 7.961 1.00 72.05 H new ATOM 0 HA GLU A 63 29.437 -13.637 6.374 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.258 -15.522 7.341 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.718 -14.948 6.734 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.491 -16.788 5.358 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.488 -15.315 4.409 1.00 63.03 H new ATOM 913 N PHE A 64 26.734 -12.192 5.261 1.00 65.55 N ATOM 914 CA PHE A 64 26.149 -11.495 4.122 1.00 2.44 C ATOM 915 C PHE A 64 26.980 -10.270 3.750 1.00 64.41 C ATOM 916 O PHE A 64 26.902 -9.230 4.404 1.00 23.03 O ATOM 917 CB PHE A 64 24.712 -11.074 4.437 1.00 11.52 C ATOM 918 CG PHE A 64 23.917 -10.698 3.219 1.00 62.32 C ATOM 919 CD1 PHE A 64 23.934 -9.399 2.738 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.153 -11.645 2.556 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.204 -9.051 1.618 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.421 -11.302 1.435 1.00 23.23 C ATOM 923 CZ PHE A 64 22.445 -10.004 0.965 1.00 20.10 C ATOM 0 H PHE A 64 26.218 -12.080 6.134 1.00 65.55 H new ATOM 0 HA PHE A 64 26.141 -12.179 3.274 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.207 -11.891 4.953 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.732 -10.228 5.124 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.525 -8.650 3.244 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.129 -12.662 2.919 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.226 -8.035 1.253 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.830 -12.049 0.927 1.00 23.23 H new ATOM 0 HZ PHE A 64 21.873 -9.734 0.090 1.00 20.10 H new ATOM 933 N VAL A 65 27.776 -10.402 2.693 1.00 21.05 N ATOM 934 CA VAL A 65 28.621 -9.307 2.231 1.00 15.40 C ATOM 935 C VAL A 65 28.117 -8.744 0.907 1.00 44.42 C ATOM 936 O VAL A 65 27.113 -9.207 0.368 1.00 15.41 O ATOM 937 CB VAL A 65 30.083 -9.760 2.061 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.678 -10.160 3.402 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.172 -10.906 1.065 1.00 3.14 C ATOM 0 H VAL A 65 27.853 -11.256 2.141 1.00 21.05 H new ATOM 0 HA VAL A 65 28.576 -8.529 2.993 1.00 15.40 H new ATOM 0 HB VAL A 65 30.662 -8.923 1.670 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.711 -10.477 3.261 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.649 -9.308 4.082 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.101 -10.982 3.826 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.212 -11.214 0.957 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.580 -11.748 1.425 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.788 -10.579 0.099 1.00 3.14 H new ATOM 949 N GLU A 66 28.821 -7.741 0.390 1.00 71.12 N ATOM 950 CA GLU A 66 28.444 -7.115 -0.872 1.00 72.12 C ATOM 951 C GLU A 66 28.814 -8.006 -2.054 1.00 23.14 C ATOM 952 O GLU A 66 29.625 -8.922 -1.924 1.00 1.30 O ATOM 953 CB GLU A 66 29.124 -5.752 -1.013 1.00 3.54 C ATOM 954 CG GLU A 66 28.331 -4.759 -1.846 1.00 73.15 C ATOM 955 CD GLU A 66 29.036 -3.425 -1.993 1.00 11.41 C ATOM 956 OE1 GLU A 66 29.194 -2.721 -0.973 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 29.431 -3.084 -3.127 1.00 63.51 O ATOM 0 H GLU A 66 29.654 -7.345 0.825 1.00 71.12 H new ATOM 0 HA GLU A 66 27.363 -6.975 -0.870 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.287 -5.332 -0.020 1.00 3.54 H new ATOM 0 HB3 GLU A 66 30.106 -5.890 -1.465 1.00 3.54 H new ATOM 0 HG2 GLU A 66 28.152 -5.182 -2.835 1.00 73.15 H new ATOM 0 HG3 GLU A 66 27.356 -4.601 -1.385 1.00 73.15 H new ATOM 964 N GLY A 67 28.214 -7.729 -3.207 1.00 24.52 N ATOM 965 CA GLY A 67 28.492 -8.514 -4.395 1.00 43.11 C ATOM 966 C GLY A 67 27.231 -9.028 -5.060 1.00 53.01 C ATOM 967 O GLY A 67 26.123 -8.778 -4.581 1.00 30.33 O ATOM 0 H GLY A 67 27.540 -6.975 -3.340 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.051 -7.906 -5.106 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.128 -9.358 -4.128 1.00 43.11 H new ATOM 971 N ILE A 68 27.396 -9.746 -6.165 1.00 63.14 N ATOM 972 CA ILE A 68 26.261 -10.296 -6.896 1.00 74.20 C ATOM 973 C ILE A 68 25.875 -11.670 -6.361 1.00 31.45 C ATOM 974 O ILE A 68 26.727 -12.428 -5.898 1.00 12.54 O ATOM 975 CB ILE A 68 26.563 -10.411 -8.402 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.156 -9.100 -8.927 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.300 -10.771 -9.170 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.653 -9.155 -9.131 1.00 72.12 C ATOM 0 H ILE A 68 28.305 -9.961 -6.574 1.00 63.14 H new ATOM 0 HA ILE A 68 25.430 -9.606 -6.752 1.00 74.20 H new ATOM 0 HB ILE A 68 27.294 -11.205 -8.551 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.677 -8.847 -9.873 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.922 -8.298 -8.227 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.530 -10.849 -10.233 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.916 -11.726 -8.811 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.548 -9.997 -9.017 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.005 -8.193 -9.504 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.142 -9.377 -8.182 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.893 -9.934 -9.854 1.00 72.12 H new ATOM 990 N TYR A 69 24.587 -11.985 -6.429 1.00 70.53 N ATOM 991 CA TYR A 69 24.087 -13.268 -5.950 1.00 5.55 C ATOM 992 C TYR A 69 23.032 -13.830 -6.897 1.00 31.10 C ATOM 993 O TYR A 69 22.255 -13.084 -7.494 1.00 43.33 O ATOM 994 CB TYR A 69 23.501 -13.119 -4.545 1.00 75.15 C ATOM 995 CG TYR A 69 24.519 -12.713 -3.504 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.906 -11.386 -3.363 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.094 -13.656 -2.661 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.837 -11.010 -2.414 1.00 42.14 C ATOM 999 CE2 TYR A 69 26.024 -13.288 -1.708 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.392 -11.965 -1.588 1.00 12.51 C ATOM 1001 OH TYR A 69 27.320 -11.596 -0.641 1.00 52.05 O ATOM 0 H TYR A 69 23.869 -11.369 -6.811 1.00 70.53 H new ATOM 0 HA TYR A 69 24.925 -13.965 -5.915 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.704 -12.376 -4.570 1.00 75.15 H new ATOM 0 HB3 TYR A 69 23.047 -14.064 -4.248 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.471 -10.635 -4.006 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.809 -14.694 -2.752 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.128 -9.974 -2.319 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.461 -14.033 -1.060 1.00 72.34 H new ATOM 0 HH TYR A 69 26.973 -10.843 -0.119 1.00 52.05 H new ATOM 1011 N LYS A 70 23.007 -15.152 -7.029 1.00 53.33 N ATOM 1012 CA LYS A 70 22.047 -15.816 -7.902 1.00 53.10 C ATOM 1013 C LYS A 70 21.132 -16.738 -7.102 1.00 14.23 C ATOM 1014 O LYS A 70 21.599 -17.591 -6.348 1.00 71.33 O ATOM 1015 CB LYS A 70 22.777 -16.619 -8.981 1.00 4.23 C ATOM 1016 CG LYS A 70 21.848 -17.249 -10.004 1.00 73.02 C ATOM 1017 CD LYS A 70 22.558 -18.318 -10.819 1.00 24.44 C ATOM 1018 CE LYS A 70 22.716 -19.608 -10.029 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.939 -20.357 -10.430 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.641 -15.785 -6.542 1.00 53.33 H new ATOM 0 HA LYS A 70 21.437 -15.049 -8.378 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.480 -15.964 -9.496 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.363 -17.404 -8.503 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.990 -17.688 -9.496 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.463 -16.478 -10.671 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.995 -18.515 -11.731 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.539 -17.954 -11.123 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.763 -19.379 -8.964 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.839 -20.237 -10.181 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 24.211 -21.011 -9.669 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.747 -20.897 -11.298 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.715 -19.687 -10.604 1.00 5.14 H new ATOM 1033 N VAL A 71 19.826 -16.558 -7.270 1.00 73.11 N ATOM 1034 CA VAL A 71 18.844 -17.374 -6.565 1.00 34.45 C ATOM 1035 C VAL A 71 18.113 -18.305 -7.524 1.00 63.22 C ATOM 1036 O VAL A 71 17.651 -17.882 -8.583 1.00 63.42 O ATOM 1037 CB VAL A 71 17.812 -16.500 -5.828 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.715 -17.362 -5.224 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.493 -15.660 -4.757 1.00 13.51 C ATOM 0 H VAL A 71 19.423 -15.854 -7.888 1.00 73.11 H new ATOM 0 HA VAL A 71 19.393 -17.968 -5.834 1.00 34.45 H new ATOM 0 HB VAL A 71 17.353 -15.824 -6.550 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.996 -16.726 -4.708 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.209 -17.914 -6.016 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.153 -18.064 -4.515 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.749 -15.049 -4.246 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.981 -16.316 -4.036 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.238 -15.013 -5.221 1.00 13.51 H new ATOM 1049 N GLU A 72 18.010 -19.575 -7.145 1.00 52.24 N ATOM 1050 CA GLU A 72 17.335 -20.567 -7.974 1.00 34.02 C ATOM 1051 C GLU A 72 16.150 -21.179 -7.233 1.00 45.41 C ATOM 1052 O GLU A 72 16.305 -21.735 -6.145 1.00 32.53 O ATOM 1053 CB GLU A 72 18.312 -21.667 -8.392 1.00 24.24 C ATOM 1054 CG GLU A 72 19.567 -21.141 -9.068 1.00 50.22 C ATOM 1055 CD GLU A 72 20.743 -21.035 -8.115 1.00 65.25 C ATOM 1056 OE1 GLU A 72 20.691 -20.185 -7.202 1.00 24.10 O1- ATOM 1057 OE2 GLU A 72 21.714 -21.804 -8.283 1.00 13.41 O ATOM 0 H GLU A 72 18.385 -19.941 -6.270 1.00 52.24 H new ATOM 0 HA GLU A 72 16.963 -20.064 -8.867 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.598 -22.242 -7.511 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.805 -22.354 -9.070 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.833 -21.799 -9.895 1.00 50.22 H new ATOM 0 HG3 GLU A 72 19.361 -20.160 -9.495 1.00 50.22 H new ATOM 1064 N ILE A 73 14.967 -21.073 -7.828 1.00 61.12 N ATOM 1065 CA ILE A 73 13.756 -21.616 -7.225 1.00 75.21 C ATOM 1066 C ILE A 73 13.307 -22.886 -7.941 1.00 61.50 C ATOM 1067 O ILE A 73 13.228 -22.922 -9.169 1.00 61.15 O ATOM 1068 CB ILE A 73 12.606 -20.592 -7.249 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.093 -19.236 -6.736 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.435 -21.091 -6.418 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.035 -18.155 -6.788 1.00 64.32 C ATOM 0 H ILE A 73 14.821 -20.616 -8.728 1.00 61.12 H new ATOM 0 HA ILE A 73 13.999 -21.852 -6.189 1.00 75.21 H new ATOM 0 HB ILE A 73 12.268 -20.470 -8.278 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.437 -19.348 -5.708 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.953 -18.920 -7.327 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.630 -20.356 -6.445 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.077 -22.037 -6.825 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.757 -21.239 -5.387 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.450 -17.221 -6.409 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.708 -18.015 -7.818 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.184 -18.449 -6.174 1.00 64.32 H new ATOM 1083 N ASP A 74 13.014 -23.923 -7.165 1.00 20.43 N ATOM 1084 CA ASP A 74 12.568 -25.195 -7.725 1.00 51.21 C ATOM 1085 C ASP A 74 11.046 -25.296 -7.703 1.00 25.22 C ATOM 1086 O ASP A 74 10.458 -25.760 -6.726 1.00 75.54 O ATOM 1087 CB ASP A 74 13.181 -26.360 -6.948 1.00 1.22 C ATOM 1088 CG ASP A 74 14.634 -26.599 -7.311 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.169 -25.841 -8.147 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.236 -27.542 -6.757 1.00 5.22 O ATOM 0 H ASP A 74 13.077 -23.909 -6.147 1.00 20.43 H new ATOM 0 HA ASP A 74 12.901 -25.244 -8.762 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.105 -26.160 -5.879 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.607 -27.266 -7.144 1.00 1.22 H new ATOM 1095 N THR A 75 10.413 -24.855 -8.786 1.00 25.23 N ATOM 1096 CA THR A 75 8.960 -24.894 -8.889 1.00 73.01 C ATOM 1097 C THR A 75 8.473 -26.287 -9.271 1.00 65.31 C ATOM 1098 O THR A 75 7.338 -26.663 -8.974 1.00 53.44 O ATOM 1099 CB THR A 75 8.444 -23.880 -9.927 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.699 -24.361 -11.252 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.110 -22.525 -9.738 1.00 30.20 C ATOM 0 H THR A 75 10.884 -24.467 -9.603 1.00 25.23 H new ATOM 0 HA THR A 75 8.566 -24.631 -7.907 1.00 73.01 H new ATOM 0 HB THR A 75 7.370 -23.763 -9.784 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.941 -24.904 -11.554 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.730 -21.826 -10.482 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.890 -22.147 -8.739 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.188 -22.630 -9.856 1.00 30.20 H new ATOM 1109 N LYS A 76 9.336 -27.049 -9.933 1.00 33.31 N ATOM 1110 CA LYS A 76 8.995 -28.403 -10.355 1.00 53.53 C ATOM 1111 C LYS A 76 8.525 -29.241 -9.170 1.00 52.22 C ATOM 1112 O LYS A 76 7.718 -30.156 -9.326 1.00 33.40 O ATOM 1113 CB LYS A 76 10.201 -29.072 -11.018 1.00 42.11 C ATOM 1114 CG LYS A 76 11.227 -29.597 -10.028 1.00 35.11 C ATOM 1115 CD LYS A 76 12.006 -28.464 -9.381 1.00 64.45 C ATOM 1116 CE LYS A 76 12.797 -27.672 -10.410 1.00 4.34 C ATOM 1117 NZ LYS A 76 14.255 -27.661 -10.101 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.278 -26.752 -10.189 1.00 33.31 H new ATOM 0 HA LYS A 76 8.181 -28.337 -11.077 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.852 -29.897 -11.639 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.684 -28.355 -11.683 1.00 42.11 H new ATOM 0 HG2 LYS A 76 10.725 -30.181 -9.257 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.917 -30.269 -10.539 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.317 -27.799 -8.860 1.00 64.45 H new ATOM 0 HD3 LYS A 76 12.686 -28.870 -8.632 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.639 -28.102 -11.399 1.00 4.34 H new ATOM 0 HE3 LYS A 76 12.425 -26.648 -10.444 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 14.797 -27.779 -10.981 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 14.509 -26.756 -9.657 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 14.478 -28.441 -9.450 1.00 11.00 H new ATOM 1131 N SER A 77 9.034 -28.918 -7.984 1.00 50.35 N ATOM 1132 CA SER A 77 8.668 -29.643 -6.773 1.00 24.21 C ATOM 1133 C SER A 77 7.276 -29.238 -6.298 1.00 74.33 C ATOM 1134 O SER A 77 6.554 -30.039 -5.703 1.00 24.13 O ATOM 1135 CB SER A 77 9.692 -29.380 -5.667 1.00 2.11 C ATOM 1136 OG SER A 77 10.998 -29.739 -6.085 1.00 64.04 O ATOM 0 H SER A 77 9.700 -28.160 -7.837 1.00 50.35 H new ATOM 0 HA SER A 77 8.659 -30.708 -7.005 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.672 -28.326 -5.392 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.423 -29.947 -4.776 1.00 2.11 H new ATOM 0 HG SER A 77 11.634 -29.560 -5.361 1.00 64.04 H new ATOM 1142 N TYR A 78 6.905 -27.991 -6.567 1.00 62.35 N ATOM 1143 CA TYR A 78 5.600 -27.479 -6.166 1.00 72.42 C ATOM 1144 C TYR A 78 4.533 -27.843 -7.193 1.00 51.41 C ATOM 1145 O TYR A 78 3.354 -27.970 -6.861 1.00 23.54 O ATOM 1146 CB TYR A 78 5.658 -25.960 -5.991 1.00 12.14 C ATOM 1147 CG TYR A 78 4.381 -25.366 -5.439 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.860 -25.794 -4.225 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.697 -24.376 -6.134 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.694 -25.255 -3.718 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.531 -23.829 -5.633 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.033 -24.272 -4.426 1.00 21.50 C ATOM 1153 OH TYR A 78 0.871 -23.731 -3.924 1.00 72.23 O ATOM 0 H TYR A 78 7.489 -27.316 -7.061 1.00 62.35 H new ATOM 0 HA TYR A 78 5.334 -27.939 -5.214 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.483 -25.711 -5.324 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.877 -25.499 -6.954 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.376 -26.562 -3.668 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.083 -24.028 -7.081 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.302 -25.601 -2.773 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.012 -23.058 -6.184 1.00 34.34 H new ATOM 0 HH TYR A 78 0.786 -22.802 -4.224 1.00 72.23 H new ATOM 1163 N TRP A 79 4.955 -28.011 -8.441 1.00 73.24 N ATOM 1164 CA TRP A 79 4.036 -28.361 -9.518 1.00 62.55 C ATOM 1165 C TRP A 79 3.683 -29.844 -9.471 1.00 11.32 C ATOM 1166 O TRP A 79 2.630 -30.257 -9.957 1.00 34.45 O ATOM 1167 CB TRP A 79 4.650 -28.014 -10.875 1.00 35.20 C ATOM 1168 CG TRP A 79 4.871 -26.544 -11.068 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.029 -25.932 -11.453 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.907 -25.501 -10.883 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.844 -24.573 -11.518 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.550 -24.282 -11.173 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.563 -25.479 -10.502 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.895 -23.057 -11.094 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.913 -24.262 -10.422 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.579 -23.064 -10.718 1.00 2.41 C ATOM 0 H TRP A 79 5.927 -27.911 -8.732 1.00 73.24 H new ATOM 0 HA TRP A 79 3.122 -27.783 -9.383 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.602 -28.534 -10.979 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.997 -28.383 -11.666 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.955 -26.442 -11.674 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.555 -23.890 -11.781 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.041 -26.397 -10.274 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.407 -22.134 -11.321 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.875 -24.233 -10.127 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.043 -22.129 -10.648 1.00 2.41 H new ATOM 1187 N LYS A 80 4.569 -30.640 -8.883 1.00 14.35 N ATOM 1188 CA LYS A 80 4.350 -32.078 -8.771 1.00 74.13 C ATOM 1189 C LYS A 80 3.406 -32.397 -7.617 1.00 72.35 C ATOM 1190 O LYS A 80 2.791 -33.462 -7.580 1.00 42.42 O ATOM 1191 CB LYS A 80 5.682 -32.802 -8.568 1.00 2.35 C ATOM 1192 CG LYS A 80 6.197 -32.743 -7.141 1.00 11.13 C ATOM 1193 CD LYS A 80 5.966 -34.056 -6.410 1.00 4.54 C ATOM 1194 CE LYS A 80 7.031 -35.083 -6.759 1.00 14.23 C ATOM 1195 NZ LYS A 80 6.511 -36.130 -7.680 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.446 -30.314 -8.476 1.00 14.35 H new ATOM 0 HA LYS A 80 3.892 -32.424 -9.698 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.566 -33.846 -8.860 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.428 -32.366 -9.232 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.262 -32.511 -7.147 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.698 -31.935 -6.606 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.968 -33.880 -5.334 1.00 4.54 H new ATOM 0 HD3 LYS A 80 4.982 -34.449 -6.667 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.881 -34.582 -7.222 1.00 14.23 H new ATOM 0 HE3 LYS A 80 7.396 -35.552 -5.845 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 7.112 -36.977 -7.618 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 5.537 -36.376 -7.411 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.520 -35.770 -8.656 1.00 15.12 H new ATOM 1209 N ALA A 81 3.294 -31.464 -6.675 1.00 25.24 N ATOM 1210 CA ALA A 81 2.422 -31.645 -5.521 1.00 60.14 C ATOM 1211 C ALA A 81 0.959 -31.724 -5.946 1.00 25.04 C ATOM 1212 O ALA A 81 0.173 -32.474 -5.365 1.00 75.40 O ATOM 1213 CB ALA A 81 2.623 -30.513 -4.525 1.00 62.23 C ATOM 0 H ALA A 81 3.796 -30.576 -6.689 1.00 25.24 H new ATOM 0 HA ALA A 81 2.686 -32.588 -5.041 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.965 -30.661 -3.668 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.660 -30.504 -4.189 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.388 -29.562 -5.003 1.00 62.23 H new ATOM 1219 N LEU A 82 0.600 -30.948 -6.963 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.770 -30.930 -7.465 1.00 42.14 C ATOM 1221 C LEU A 82 -0.859 -31.614 -8.826 1.00 63.11 C ATOM 1222 O LEU A 82 -1.924 -32.076 -9.232 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.276 -29.492 -7.570 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.206 -28.400 -7.547 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.666 -28.479 -8.791 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.849 -27.025 -7.430 1.00 52.23 C ATOM 0 H LEU A 82 1.238 -30.323 -7.456 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.397 -31.478 -6.762 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.845 -29.395 -8.494 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.969 -29.311 -6.748 1.00 1.31 H new ATOM 0 HG LEU A 82 0.428 -28.558 -6.674 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.421 -27.694 -8.756 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.156 -29.452 -8.831 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.047 -28.348 -9.678 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.072 -26.260 -7.415 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.507 -26.857 -8.283 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.429 -26.972 -6.508 1.00 52.23 H new ATOM 1238 N GLY A 83 0.270 -31.677 -9.527 1.00 74.15 N ATOM 1239 CA GLY A 83 0.297 -32.308 -10.833 1.00 24.44 C ATOM 1240 C GLY A 83 0.037 -31.325 -11.957 1.00 53.33 C ATOM 1241 O GLY A 83 -0.761 -31.596 -12.855 1.00 44.53 O ATOM 0 H GLY A 83 1.165 -31.302 -9.213 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.267 -32.780 -10.985 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.452 -33.100 -10.866 1.00 24.44 H new ATOM 1245 N ILE A 84 0.709 -30.180 -11.907 1.00 11.52 N ATOM 1246 CA ILE A 84 0.545 -29.154 -12.929 1.00 73.53 C ATOM 1247 C ILE A 84 1.520 -29.366 -14.082 1.00 73.31 C ATOM 1248 O ILE A 84 2.676 -29.734 -13.873 1.00 12.13 O ATOM 1249 CB ILE A 84 0.755 -27.742 -12.348 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.594 -27.086 -12.047 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.562 -26.887 -13.313 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.533 -27.971 -11.257 1.00 31.45 C ATOM 0 H ILE A 84 1.372 -29.940 -11.170 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.477 -29.238 -13.299 1.00 73.53 H new ATOM 0 HB ILE A 84 1.313 -27.828 -11.416 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.424 -26.163 -11.492 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.072 -26.810 -12.987 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.702 -25.893 -12.889 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.534 -27.349 -13.483 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.029 -26.805 -14.260 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.469 -27.442 -11.080 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.733 -28.883 -11.819 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.075 -28.227 -10.302 1.00 31.45 H new ATOM 1264 N SER A 85 1.046 -29.129 -15.301 1.00 52.21 N ATOM 1265 CA SER A 85 1.875 -29.297 -16.490 1.00 24.12 C ATOM 1266 C SER A 85 3.176 -28.512 -16.359 1.00 3.33 C ATOM 1267 O SER A 85 3.195 -27.281 -16.400 1.00 53.24 O ATOM 1268 CB SER A 85 1.113 -28.842 -17.736 1.00 54.52 C ATOM 1269 OG SER A 85 1.716 -29.348 -18.915 1.00 23.32 O ATOM 0 H SER A 85 0.093 -28.820 -15.492 1.00 52.21 H new ATOM 0 HA SER A 85 2.118 -30.355 -16.588 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.079 -29.182 -17.678 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.089 -27.753 -17.774 1.00 54.52 H new ATOM 0 HG SER A 85 1.210 -29.045 -19.697 1.00 23.32 H new ATOM 1275 N PRO A 86 4.292 -29.239 -16.199 1.00 42.12 N ATOM 1276 CA PRO A 86 5.619 -28.633 -16.061 1.00 71.24 C ATOM 1277 C PRO A 86 6.103 -27.994 -17.358 1.00 40.35 C ATOM 1278 O PRO A 86 6.510 -28.690 -18.288 1.00 12.43 O ATOM 1279 CB PRO A 86 6.511 -29.816 -15.681 1.00 45.12 C ATOM 1280 CG PRO A 86 5.814 -31.010 -16.233 1.00 24.31 C ATOM 1281 CD PRO A 86 4.343 -30.710 -16.143 1.00 65.12 C ATOM 0 HA PRO A 86 5.624 -27.826 -15.329 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.510 -29.710 -16.104 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.629 -29.891 -14.600 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.112 -31.193 -17.265 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.065 -31.906 -15.665 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.789 -31.163 -16.965 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.910 -31.092 -15.218 1.00 65.12 H new ATOM 1289 N MET A 87 6.058 -26.668 -17.412 1.00 43.33 N ATOM 1290 CA MET A 87 6.494 -25.936 -18.595 1.00 1.42 C ATOM 1291 C MET A 87 7.921 -25.426 -18.424 1.00 55.04 C ATOM 1292 O MET A 87 8.663 -25.287 -19.397 1.00 10.13 O ATOM 1293 CB MET A 87 5.551 -24.764 -18.874 1.00 20.04 C ATOM 1294 CG MET A 87 4.092 -25.174 -18.995 1.00 72.24 C ATOM 1295 SD MET A 87 3.731 -26.003 -20.555 1.00 22.31 S ATOM 1296 CE MET A 87 2.667 -24.797 -21.342 1.00 35.42 C ATOM 0 H MET A 87 5.724 -26.078 -16.650 1.00 43.33 H new ATOM 0 HA MET A 87 6.471 -26.621 -19.443 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.649 -24.031 -18.073 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.859 -24.272 -19.796 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.835 -25.836 -18.168 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.461 -24.290 -18.903 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.359 -25.167 -22.320 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.785 -24.631 -20.723 1.00 35.42 H new ATOM 0 HE3 MET A 87 3.208 -23.858 -21.463 1.00 35.42 H new ATOM 1306 N HIS A 88 8.300 -25.147 -17.181 1.00 0.52 N ATOM 1307 CA HIS A 88 9.639 -24.651 -16.881 1.00 51.21 C ATOM 1308 C HIS A 88 10.249 -25.411 -15.708 1.00 23.12 C ATOM 1309 O HIS A 88 9.604 -25.602 -14.677 1.00 50.35 O ATOM 1310 CB HIS A 88 9.594 -23.156 -16.568 1.00 24.12 C ATOM 1311 CG HIS A 88 9.461 -22.293 -17.785 1.00 62.11 C ATOM 1312 ND1 HIS A 88 8.289 -22.183 -18.505 1.00 74.54 N ATOM 1313 CD2 HIS A 88 10.359 -21.495 -18.408 1.00 20.22 C ATOM 1314 CE1 HIS A 88 8.475 -21.356 -19.519 1.00 21.10 C ATOM 1315 NE2 HIS A 88 9.722 -20.924 -19.482 1.00 3.14 N ATOM 0 H HIS A 88 7.698 -25.256 -16.364 1.00 0.52 H new ATOM 0 HA HIS A 88 10.264 -24.811 -17.759 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.756 -22.958 -15.899 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.502 -22.878 -16.033 1.00 24.12 H new ATOM 0 HD2 HIS A 88 11.386 -21.337 -18.115 1.00 20.22 H new ATOM 0 HE1 HIS A 88 7.733 -21.080 -20.253 1.00 21.10 H new ATOM 0 HE2 HIS A 88 10.144 -20.272 -20.144 1.00 3.14 H new ATOM 1323 N GLU A 89 11.496 -25.842 -15.872 1.00 53.32 N ATOM 1324 CA GLU A 89 12.192 -26.583 -14.826 1.00 13.34 C ATOM 1325 C GLU A 89 12.258 -25.769 -13.537 1.00 2.34 C ATOM 1326 O GLU A 89 11.546 -26.051 -12.573 1.00 33.31 O ATOM 1327 CB GLU A 89 13.605 -26.950 -15.284 1.00 13.54 C ATOM 1328 CG GLU A 89 13.702 -28.330 -15.912 1.00 22.51 C ATOM 1329 CD GLU A 89 14.985 -28.525 -16.696 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.086 -27.980 -17.814 1.00 63.34 O ATOM 1331 OE2 GLU A 89 15.888 -29.225 -16.191 1.00 31.10 O1- ATOM 0 H GLU A 89 12.045 -25.691 -16.719 1.00 53.32 H new ATOM 0 HA GLU A 89 11.633 -27.498 -14.630 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.949 -26.207 -16.004 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.279 -26.901 -14.429 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.640 -29.086 -15.130 1.00 22.51 H new ATOM 0 HG3 GLU A 89 12.849 -28.485 -16.573 1.00 22.51 H new ATOM 1338 N HIS A 90 13.121 -24.757 -13.525 1.00 12.33 N ATOM 1339 CA HIS A 90 13.282 -23.901 -12.355 1.00 64.04 C ATOM 1340 C HIS A 90 13.448 -22.443 -12.768 1.00 64.34 C ATOM 1341 O HIS A 90 13.625 -22.136 -13.947 1.00 61.10 O ATOM 1342 CB HIS A 90 14.488 -24.351 -11.530 1.00 14.33 C ATOM 1343 CG HIS A 90 15.719 -24.589 -12.350 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.367 -25.805 -12.399 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.419 -23.757 -13.157 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.414 -25.712 -13.201 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.468 -24.479 -13.673 1.00 64.31 N ATOM 0 H HIS A 90 13.720 -24.510 -14.313 1.00 12.33 H new ATOM 0 HA HIS A 90 12.382 -23.987 -11.745 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.704 -23.595 -10.776 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.233 -25.268 -10.998 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.195 -22.720 -13.358 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.107 -26.508 -13.431 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.174 -24.121 -14.316 1.00 64.31 H new ATOM 1355 N ALA A 91 13.390 -21.545 -11.789 1.00 30.43 N ATOM 1356 CA ALA A 91 13.536 -20.119 -12.050 1.00 4.31 C ATOM 1357 C ALA A 91 14.798 -19.567 -11.397 1.00 13.54 C ATOM 1358 O ALA A 91 14.942 -19.600 -10.176 1.00 55.12 O ATOM 1359 CB ALA A 91 12.311 -19.364 -11.556 1.00 53.12 C ATOM 0 H ALA A 91 13.243 -21.781 -10.808 1.00 30.43 H new ATOM 0 HA ALA A 91 13.626 -19.980 -13.127 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.434 -18.300 -11.757 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.424 -19.731 -12.073 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.196 -19.519 -10.483 1.00 53.12 H new ATOM 1365 N GLU A 92 15.713 -19.062 -12.220 1.00 71.53 N ATOM 1366 CA GLU A 92 16.964 -18.505 -11.721 1.00 22.11 C ATOM 1367 C GLU A 92 17.050 -17.010 -12.016 1.00 21.04 C ATOM 1368 O GLU A 92 16.777 -16.570 -13.133 1.00 35.42 O ATOM 1369 CB GLU A 92 18.157 -19.229 -12.350 1.00 20.12 C ATOM 1370 CG GLU A 92 18.035 -20.744 -12.318 1.00 3.34 C ATOM 1371 CD GLU A 92 19.349 -21.441 -12.609 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.343 -20.739 -12.891 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.384 -22.688 -12.554 1.00 1.44 O1- ATOM 0 H GLU A 92 15.611 -19.028 -13.234 1.00 71.53 H new ATOM 0 HA GLU A 92 16.990 -18.647 -10.641 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.265 -18.903 -13.385 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.067 -18.935 -11.827 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.672 -21.055 -11.338 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.291 -21.060 -13.049 1.00 3.34 H new ATOM 1380 N VAL A 93 17.433 -16.235 -11.007 1.00 13.33 N ATOM 1381 CA VAL A 93 17.556 -14.790 -11.156 1.00 70.50 C ATOM 1382 C VAL A 93 18.834 -14.277 -10.503 1.00 3.53 C ATOM 1383 O VAL A 93 19.254 -14.774 -9.459 1.00 12.13 O ATOM 1384 CB VAL A 93 16.348 -14.057 -10.542 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.463 -12.557 -10.764 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.048 -14.592 -11.124 1.00 45.53 C ATOM 0 H VAL A 93 17.664 -16.584 -10.077 1.00 13.33 H new ATOM 0 HA VAL A 93 17.590 -14.584 -12.226 1.00 70.50 H new ATOM 0 HB VAL A 93 16.342 -14.241 -9.468 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.601 -12.057 -10.323 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.375 -12.189 -10.295 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.496 -12.349 -11.833 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.205 -14.063 -10.679 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.043 -14.440 -12.203 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.963 -15.657 -10.907 1.00 45.53 H new ATOM 1396 N VAL A 94 19.449 -13.276 -11.126 1.00 2.22 N ATOM 1397 CA VAL A 94 20.680 -12.693 -10.604 1.00 2.02 C ATOM 1398 C VAL A 94 20.437 -11.288 -10.064 1.00 12.31 C ATOM 1399 O VAL A 94 19.816 -10.456 -10.726 1.00 50.11 O ATOM 1400 CB VAL A 94 21.775 -12.633 -11.686 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.039 -11.994 -11.132 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.065 -14.024 -12.228 1.00 30.43 C ATOM 0 H VAL A 94 19.115 -12.852 -11.992 1.00 2.22 H new ATOM 0 HA VAL A 94 21.016 -13.338 -9.792 1.00 2.02 H new ATOM 0 HB VAL A 94 21.415 -12.015 -12.509 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.801 -11.960 -11.911 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.818 -10.981 -10.797 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.406 -12.582 -10.291 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.841 -13.963 -12.991 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.405 -14.667 -11.416 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.158 -14.440 -12.666 1.00 30.43 H new ATOM 1412 N PHE A 95 20.930 -11.030 -8.858 1.00 1.21 N ATOM 1413 CA PHE A 95 20.765 -9.726 -8.227 1.00 71.43 C ATOM 1414 C PHE A 95 22.120 -9.122 -7.867 1.00 71.25 C ATOM 1415 O PHE A 95 22.889 -9.704 -7.102 1.00 40.21 O ATOM 1416 CB PHE A 95 19.898 -9.848 -6.972 1.00 71.11 C ATOM 1417 CG PHE A 95 18.632 -10.626 -7.191 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.631 -12.008 -7.110 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.444 -9.973 -7.478 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.466 -12.726 -7.312 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.277 -10.686 -7.680 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.289 -12.064 -7.596 1.00 23.11 C ATOM 0 H PHE A 95 21.447 -11.707 -8.297 1.00 1.21 H new ATOM 0 HA PHE A 95 20.269 -9.066 -8.938 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.479 -10.328 -6.184 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.644 -8.849 -6.617 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.549 -12.531 -6.887 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.430 -8.895 -7.545 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.478 -13.804 -7.247 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.357 -10.166 -7.903 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.378 -12.623 -7.752 1.00 23.11 H new ATOM 1432 N THR A 96 22.405 -7.949 -8.424 1.00 53.44 N ATOM 1433 CA THR A 96 23.666 -7.266 -8.165 1.00 53.12 C ATOM 1434 C THR A 96 23.551 -6.339 -6.959 1.00 30.54 C ATOM 1435 O THR A 96 22.869 -5.316 -7.014 1.00 64.13 O ATOM 1436 CB THR A 96 24.123 -6.447 -9.387 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.133 -7.274 -10.555 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.510 -5.864 -9.159 1.00 22.52 C ATOM 0 H THR A 96 21.779 -7.452 -9.058 1.00 53.44 H new ATOM 0 HA THR A 96 24.407 -8.038 -7.957 1.00 53.12 H new ATOM 0 HB THR A 96 23.420 -5.626 -9.531 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.423 -6.745 -11.328 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.812 -5.290 -10.035 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.491 -5.211 -8.286 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.222 -6.673 -8.992 1.00 22.52 H new ATOM 1446 N ALA A 97 24.223 -6.704 -5.873 1.00 62.01 N ATOM 1447 CA ALA A 97 24.198 -5.903 -4.655 1.00 43.35 C ATOM 1448 C ALA A 97 25.315 -4.865 -4.657 1.00 12.42 C ATOM 1449 O ALA A 97 26.471 -5.184 -4.935 1.00 52.21 O ATOM 1450 CB ALA A 97 24.312 -6.800 -3.431 1.00 10.43 C ATOM 0 H ALA A 97 24.791 -7.549 -5.811 1.00 62.01 H new ATOM 0 HA ALA A 97 23.246 -5.374 -4.618 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.292 -6.189 -2.529 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.477 -7.500 -3.414 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.249 -7.355 -3.473 1.00 10.43 H new ATOM 1456 N ASN A 98 24.962 -3.621 -4.348 1.00 22.42 N ATOM 1457 CA ASN A 98 25.936 -2.536 -4.316 1.00 70.24 C ATOM 1458 C ASN A 98 26.084 -1.980 -2.903 1.00 0.21 C ATOM 1459 O ASN A 98 27.126 -1.430 -2.549 1.00 44.32 O ATOM 1460 CB ASN A 98 25.517 -1.419 -5.275 1.00 53.32 C ATOM 1461 CG ASN A 98 25.572 -1.853 -6.727 1.00 65.42 C ATOM 1462 OD1 ASN A 98 24.541 -2.002 -7.382 1.00 61.01 O ATOM 1463 ND2 ASN A 98 26.780 -2.057 -7.237 1.00 50.32 N ATOM 0 H ASN A 98 24.009 -3.340 -4.116 1.00 22.42 H new ATOM 0 HA ASN A 98 26.899 -2.935 -4.633 1.00 70.24 H new ATOM 0 HB2 ASN A 98 24.504 -1.097 -5.033 1.00 53.32 H new ATOM 0 HB3 ASN A 98 26.168 -0.557 -5.131 1.00 53.32 H new ATOM 0 HD21 ASN A 98 26.880 -2.349 -8.209 1.00 50.32 H new ATOM 0 HD22 ASN A 98 27.608 -1.921 -6.657 1.00 50.32 H new ATOM 1470 N ASP A 99 25.035 -2.127 -2.103 1.00 15.12 N ATOM 1471 CA ASP A 99 25.048 -1.641 -0.728 1.00 4.24 C ATOM 1472 C ASP A 99 23.896 -2.242 0.072 1.00 73.21 C ATOM 1473 O ASP A 99 22.730 -2.099 -0.297 1.00 53.11 O ATOM 1474 CB ASP A 99 24.960 -0.114 -0.703 1.00 62.12 C ATOM 1475 CG ASP A 99 23.699 0.405 -1.364 1.00 13.14 C ATOM 1476 OD1 ASP A 99 23.486 0.104 -2.557 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 22.923 1.111 -0.687 1.00 55.13 O ATOM 0 H ASP A 99 24.164 -2.579 -2.382 1.00 15.12 H new ATOM 0 HA ASP A 99 25.987 -1.951 -0.268 1.00 4.24 H new ATOM 0 HB2 ASP A 99 24.994 0.232 0.330 1.00 62.12 H new ATOM 0 HB3 ASP A 99 25.830 0.305 -1.208 1.00 62.12 H new ATOM 1482 N SER A 100 24.231 -2.914 1.169 1.00 64.11 N ATOM 1483 CA SER A 100 23.225 -3.541 2.019 1.00 51.44 C ATOM 1484 C SER A 100 22.141 -2.540 2.406 1.00 2.13 C ATOM 1485 O SER A 100 21.015 -2.605 1.915 1.00 24.13 O ATOM 1486 CB SER A 100 23.877 -4.116 3.276 1.00 72.33 C ATOM 1487 OG SER A 100 24.725 -3.163 3.894 1.00 61.25 O ATOM 0 H SER A 100 25.191 -3.038 1.490 1.00 64.11 H new ATOM 0 HA SER A 100 22.762 -4.351 1.456 1.00 51.44 H new ATOM 0 HB2 SER A 100 23.105 -4.430 3.979 1.00 72.33 H new ATOM 0 HB3 SER A 100 24.452 -5.005 3.017 1.00 72.33 H new ATOM 0 HG SER A 100 25.128 -3.555 4.696 1.00 61.25 H new ATOM 1493 N GLY A 101 22.491 -1.612 3.291 1.00 42.21 N ATOM 1494 CA GLY A 101 21.538 -0.609 3.732 1.00 53.22 C ATOM 1495 C GLY A 101 21.166 -0.764 5.193 1.00 10.13 C ATOM 1496 O GLY A 101 21.436 -1.789 5.819 1.00 41.01 O ATOM 0 H GLY A 101 23.418 -1.536 3.711 1.00 42.21 H new ATOM 0 HA2 GLY A 101 21.959 0.383 3.571 1.00 53.22 H new ATOM 0 HA3 GLY A 101 20.637 -0.676 3.122 1.00 53.22 H new ATOM 1500 N PRO A 102 20.534 0.275 5.760 1.00 72.31 N ATOM 1501 CA PRO A 102 20.113 0.274 7.164 1.00 62.41 C ATOM 1502 C PRO A 102 18.964 -0.694 7.424 1.00 55.41 C ATOM 1503 O PRO A 102 19.003 -1.479 8.371 1.00 30.03 O ATOM 1504 CB PRO A 102 19.660 1.717 7.399 1.00 3.05 C ATOM 1505 CG PRO A 102 19.268 2.216 6.051 1.00 21.03 C ATOM 1506 CD PRO A 102 20.181 1.529 5.073 1.00 22.35 C ATOM 0 HA PRO A 102 20.913 -0.050 7.829 1.00 62.41 H new ATOM 0 HB2 PRO A 102 18.823 1.761 8.096 1.00 3.05 H new ATOM 0 HB3 PRO A 102 20.462 2.319 7.826 1.00 3.05 H new ATOM 0 HG2 PRO A 102 18.224 1.986 5.838 1.00 21.03 H new ATOM 0 HG3 PRO A 102 19.375 3.299 5.990 1.00 21.03 H new ATOM 0 HD2 PRO A 102 19.683 1.340 4.122 1.00 22.35 H new ATOM 0 HD3 PRO A 102 21.064 2.131 4.856 1.00 22.35 H new ATOM 1514 N ARG A 103 17.942 -0.633 6.577 1.00 52.42 N ATOM 1515 CA ARG A 103 16.781 -1.505 6.716 1.00 64.24 C ATOM 1516 C ARG A 103 16.886 -2.703 5.779 1.00 1.20 C ATOM 1517 O ARG A 103 17.624 -2.671 4.795 1.00 43.01 O ATOM 1518 CB ARG A 103 15.496 -0.727 6.426 1.00 21.14 C ATOM 1519 CG ARG A 103 14.294 -1.220 7.217 1.00 71.15 C ATOM 1520 CD ARG A 103 14.397 -0.832 8.685 1.00 40.02 C ATOM 1521 NE ARG A 103 13.128 -1.010 9.387 1.00 23.44 N ATOM 1522 CZ ARG A 103 12.916 -0.606 10.634 1.00 72.30 C ATOM 1523 NH1 ARG A 103 13.883 -0.003 11.312 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 11.734 -0.803 11.205 1.00 23.55 N ATOM 0 H ARG A 103 17.894 0.011 5.787 1.00 52.42 H new ATOM 0 HA ARG A 103 16.753 -1.871 7.742 1.00 64.24 H new ATOM 0 HB2 ARG A 103 15.661 0.327 6.651 1.00 21.14 H new ATOM 0 HB3 ARG A 103 15.272 -0.795 5.361 1.00 21.14 H new ATOM 0 HG2 ARG A 103 13.381 -0.803 6.792 1.00 71.15 H new ATOM 0 HG3 ARG A 103 14.219 -2.304 7.130 1.00 71.15 H new ATOM 0 HD2 ARG A 103 15.166 -1.436 9.167 1.00 40.02 H new ATOM 0 HD3 ARG A 103 14.713 0.208 8.764 1.00 40.02 H new ATOM 0 HE ARG A 103 12.363 -1.470 8.892 1.00 23.44 H new ATOM 0 HH11 ARG A 103 14.792 0.151 10.876 1.00 12.31 H new ATOM 0 HH12 ARG A 103 13.718 0.306 12.270 1.00 12.31 H new ATOM 0 HH21 ARG A 103 10.987 -1.265 10.686 1.00 23.55 H new ATOM 0 HH22 ARG A 103 11.572 -0.492 12.163 1.00 23.55 H new ATOM 1538 N ARG A 104 16.141 -3.760 6.092 1.00 42.23 N ATOM 1539 CA ARG A 104 16.152 -4.969 5.278 1.00 3.34 C ATOM 1540 C ARG A 104 15.291 -4.792 4.030 1.00 11.24 C ATOM 1541 O ARG A 104 14.730 -3.722 3.797 1.00 3.33 O ATOM 1542 CB ARG A 104 15.648 -6.162 6.093 1.00 1.21 C ATOM 1543 CG ARG A 104 14.229 -5.991 6.610 1.00 52.32 C ATOM 1544 CD ARG A 104 13.833 -7.128 7.539 1.00 23.35 C ATOM 1545 NE ARG A 104 13.253 -8.253 6.811 1.00 23.43 N ATOM 1546 CZ ARG A 104 12.003 -8.271 6.362 1.00 61.22 C ATOM 1547 NH1 ARG A 104 11.206 -7.231 6.565 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 11.547 -9.332 5.708 1.00 61.40 N ATOM 0 H ARG A 104 15.523 -3.802 6.903 1.00 42.23 H new ATOM 0 HA ARG A 104 17.179 -5.158 4.966 1.00 3.34 H new ATOM 0 HB2 ARG A 104 15.695 -7.059 5.475 1.00 1.21 H new ATOM 0 HB3 ARG A 104 16.317 -6.322 6.939 1.00 1.21 H new ATOM 0 HG2 ARG A 104 14.145 -5.042 7.139 1.00 52.32 H new ATOM 0 HG3 ARG A 104 13.537 -5.949 5.769 1.00 52.32 H new ATOM 0 HD2 ARG A 104 14.710 -7.467 8.091 1.00 23.35 H new ATOM 0 HD3 ARG A 104 13.115 -6.763 8.273 1.00 23.35 H new ATOM 0 HE ARG A 104 13.840 -9.069 6.638 1.00 23.43 H new ATOM 0 HH11 ARG A 104 11.552 -6.414 7.067 1.00 21.23 H new ATOM 0 HH12 ARG A 104 10.247 -7.248 6.219 1.00 21.23 H new ATOM 0 HH21 ARG A 104 12.157 -10.134 5.550 1.00 61.40 H new ATOM 0 HH22 ARG A 104 10.587 -9.345 5.364 1.00 61.40 H new ATOM 1562 N TYR A 105 15.192 -5.849 3.232 1.00 64.52 N ATOM 1563 CA TYR A 105 14.403 -5.811 2.006 1.00 43.23 C ATOM 1564 C TYR A 105 13.803 -7.180 1.702 1.00 12.34 C ATOM 1565 O TYR A 105 14.402 -8.214 1.997 1.00 73.32 O ATOM 1566 CB TYR A 105 15.267 -5.347 0.833 1.00 4.01 C ATOM 1567 CG TYR A 105 16.616 -6.026 0.769 1.00 12.10 C ATOM 1568 CD1 TYR A 105 16.745 -7.313 0.259 1.00 32.04 C ATOM 1569 CD2 TYR A 105 17.762 -5.382 1.217 1.00 71.31 C ATOM 1570 CE1 TYR A 105 17.976 -7.937 0.199 1.00 72.42 C ATOM 1571 CE2 TYR A 105 18.997 -5.998 1.160 1.00 24.24 C ATOM 1572 CZ TYR A 105 19.099 -7.276 0.651 1.00 22.41 C ATOM 1573 OH TYR A 105 20.326 -7.894 0.591 1.00 41.31 O ATOM 0 H TYR A 105 15.648 -6.743 3.412 1.00 64.52 H new ATOM 0 HA TYR A 105 13.588 -5.102 2.150 1.00 43.23 H new ATOM 0 HB2 TYR A 105 14.731 -5.533 -0.098 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.415 -4.270 0.906 1.00 4.01 H new ATOM 0 HD1 TYR A 105 15.868 -7.834 -0.096 1.00 32.04 H new ATOM 0 HD2 TYR A 105 17.686 -4.382 1.617 1.00 71.31 H new ATOM 0 HE1 TYR A 105 18.059 -8.937 -0.200 1.00 72.42 H new ATOM 0 HE2 TYR A 105 19.878 -5.482 1.512 1.00 24.24 H new ATOM 0 HH TYR A 105 20.257 -8.796 0.969 1.00 41.31 H new ATOM 1583 N THR A 106 12.614 -7.178 1.106 1.00 61.33 N ATOM 1584 CA THR A 106 11.931 -8.418 0.760 1.00 12.11 C ATOM 1585 C THR A 106 11.688 -8.512 -0.742 1.00 32.31 C ATOM 1586 O THR A 106 11.343 -7.521 -1.386 1.00 11.53 O ATOM 1587 CB THR A 106 10.584 -8.541 1.497 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.795 -8.527 2.912 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.865 -9.823 1.099 1.00 20.22 C ATOM 0 H THR A 106 12.105 -6.331 0.853 1.00 61.33 H new ATOM 0 HA THR A 106 12.582 -9.235 1.070 1.00 12.11 H new ATOM 0 HB THR A 106 9.963 -7.691 1.215 1.00 42.34 H new ATOM 0 HG1 THR A 106 9.933 -8.604 3.372 1.00 34.34 H new ATOM 0 HG21 THR A 106 8.916 -9.889 1.632 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.678 -9.817 0.025 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.485 -10.682 1.355 1.00 20.22 H new ATOM 1597 N ILE A 107 11.867 -9.708 -1.292 1.00 71.42 N ATOM 1598 CA ILE A 107 11.665 -9.929 -2.719 1.00 74.04 C ATOM 1599 C ILE A 107 10.414 -10.764 -2.973 1.00 33.14 C ATOM 1600 O ILE A 107 10.280 -11.873 -2.456 1.00 43.14 O ATOM 1601 CB ILE A 107 12.877 -10.634 -3.356 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.164 -9.872 -3.034 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.688 -10.753 -4.862 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.144 -8.430 -3.491 1.00 2.32 C ATOM 0 H ILE A 107 12.151 -10.538 -0.772 1.00 71.42 H new ATOM 0 HA ILE A 107 11.544 -8.947 -3.177 1.00 74.04 H new ATOM 0 HB ILE A 107 12.957 -11.638 -2.938 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.334 -9.901 -1.958 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.005 -10.382 -3.504 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.552 -11.253 -5.299 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.789 -11.333 -5.071 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.587 -9.758 -5.296 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.088 -7.952 -3.229 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.005 -8.393 -4.572 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.324 -7.905 -3.002 1.00 2.32 H new ATOM 1616 N ALA A 108 9.501 -10.224 -3.774 1.00 44.40 N ATOM 1617 CA ALA A 108 8.263 -10.920 -4.100 1.00 61.41 C ATOM 1618 C ALA A 108 8.317 -11.504 -5.508 1.00 62.14 C ATOM 1619 O ALA A 108 8.503 -10.778 -6.484 1.00 70.45 O ATOM 1620 CB ALA A 108 7.076 -9.979 -3.962 1.00 74.04 C ATOM 0 H ALA A 108 9.596 -9.306 -4.209 1.00 44.40 H new ATOM 0 HA ALA A 108 8.142 -11.744 -3.397 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.158 -10.513 -4.209 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.019 -9.613 -2.937 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.199 -9.136 -4.642 1.00 74.04 H new ATOM 1626 N ALA A 109 8.151 -12.818 -5.606 1.00 63.14 N ATOM 1627 CA ALA A 109 8.179 -13.498 -6.895 1.00 74.21 C ATOM 1628 C ALA A 109 6.938 -14.363 -7.086 1.00 35.54 C ATOM 1629 O ALA A 109 6.489 -15.036 -6.158 1.00 62.10 O ATOM 1630 CB ALA A 109 9.438 -14.344 -7.018 1.00 25.13 C ATOM 0 H ALA A 109 7.996 -13.434 -4.808 1.00 63.14 H new ATOM 0 HA ALA A 109 8.186 -12.740 -7.678 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.446 -14.846 -7.985 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.316 -13.704 -6.934 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.455 -15.089 -6.222 1.00 25.13 H new ATOM 1636 N MET A 110 6.388 -14.341 -8.295 1.00 70.32 N ATOM 1637 CA MET A 110 5.198 -15.125 -8.607 1.00 45.12 C ATOM 1638 C MET A 110 5.521 -16.229 -9.609 1.00 15.33 C ATOM 1639 O MET A 110 6.335 -16.041 -10.513 1.00 41.41 O ATOM 1640 CB MET A 110 4.097 -14.221 -9.166 1.00 74.03 C ATOM 1641 CG MET A 110 3.288 -13.513 -8.091 1.00 13.10 C ATOM 1642 SD MET A 110 1.530 -13.435 -8.483 1.00 31.04 S ATOM 1643 CE MET A 110 0.847 -14.460 -7.183 1.00 0.14 C ATOM 0 H MET A 110 6.747 -13.789 -9.075 1.00 70.32 H new ATOM 0 HA MET A 110 4.846 -15.587 -7.684 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.548 -13.475 -9.820 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.424 -14.819 -9.781 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.422 -14.031 -7.141 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.672 -12.501 -7.960 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.153 -14.788 -7.466 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.485 -15.331 -7.033 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.793 -13.886 -6.258 1.00 0.14 H new ATOM 1653 N LEU A 111 4.879 -17.380 -9.441 1.00 31.10 N ATOM 1654 CA LEU A 111 5.099 -18.516 -10.331 1.00 3.04 C ATOM 1655 C LEU A 111 3.981 -18.621 -11.364 1.00 63.32 C ATOM 1656 O LEU A 111 2.812 -18.781 -11.014 1.00 10.01 O ATOM 1657 CB LEU A 111 5.187 -19.812 -9.524 1.00 34.42 C ATOM 1658 CG LEU A 111 6.598 -20.299 -9.189 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.462 -19.143 -8.707 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.547 -21.402 -8.142 1.00 11.55 C ATOM 0 H LEU A 111 4.202 -17.552 -8.697 1.00 31.10 H new ATOM 0 HA LEU A 111 6.041 -18.358 -10.856 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.641 -19.673 -8.591 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.675 -20.598 -10.079 1.00 34.42 H new ATOM 0 HG LEU A 111 7.046 -20.706 -10.096 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.462 -19.509 -8.474 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.526 -18.386 -9.489 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.018 -18.705 -7.813 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.560 -21.736 -7.916 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.080 -21.021 -7.234 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.965 -22.240 -8.525 1.00 11.55 H new ATOM 1672 N SER A 112 4.350 -18.534 -12.638 1.00 73.51 N ATOM 1673 CA SER A 112 3.379 -18.619 -13.722 1.00 51.32 C ATOM 1674 C SER A 112 3.994 -19.284 -14.951 1.00 24.21 C ATOM 1675 O SER A 112 4.634 -18.639 -15.781 1.00 14.52 O ATOM 1676 CB SER A 112 2.866 -17.225 -14.086 1.00 2.41 C ATOM 1677 OG SER A 112 3.712 -16.217 -13.562 1.00 5.42 O ATOM 0 H SER A 112 5.314 -18.405 -12.945 1.00 73.51 H new ATOM 0 HA SER A 112 2.542 -19.228 -13.380 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.807 -17.127 -15.170 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.856 -17.093 -13.699 1.00 2.41 H new ATOM 0 HG SER A 112 3.856 -15.525 -14.241 1.00 5.42 H new ATOM 1683 N PRO A 113 3.794 -20.605 -15.070 1.00 54.43 N ATOM 1684 CA PRO A 113 4.318 -21.387 -16.193 1.00 23.13 C ATOM 1685 C PRO A 113 3.612 -21.062 -17.505 1.00 42.52 C ATOM 1686 O PRO A 113 4.243 -20.997 -18.561 1.00 32.13 O ATOM 1687 CB PRO A 113 4.040 -22.834 -15.780 1.00 11.42 C ATOM 1688 CG PRO A 113 2.884 -22.744 -14.844 1.00 14.31 C ATOM 1689 CD PRO A 113 3.039 -21.436 -14.118 1.00 11.21 C ATOM 0 HA PRO A 113 5.372 -21.178 -16.378 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.802 -23.454 -16.644 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.908 -23.281 -15.296 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.939 -22.780 -15.386 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.882 -23.580 -14.145 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.073 -20.993 -13.877 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.577 -21.559 -13.178 1.00 11.21 H new ATOM 1697 N TYR A 114 2.302 -20.859 -17.432 1.00 23.21 N ATOM 1698 CA TYR A 114 1.510 -20.543 -18.615 1.00 4.41 C ATOM 1699 C TYR A 114 1.618 -19.061 -18.963 1.00 5.12 C ATOM 1700 O TYR A 114 1.860 -18.699 -20.114 1.00 62.34 O ATOM 1701 CB TYR A 114 0.045 -20.920 -18.389 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.141 -22.300 -17.800 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.057 -23.435 -18.597 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.401 -22.469 -16.445 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.228 -24.697 -18.063 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.570 -23.728 -15.903 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.484 -24.839 -16.715 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.653 -26.095 -16.180 1.00 44.10 O ATOM 0 H TYR A 114 1.765 -20.908 -16.566 1.00 23.21 H new ATOM 0 HA TYR A 114 1.903 -21.123 -19.450 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.412 -20.186 -17.725 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.486 -20.865 -19.339 1.00 10.22 H new ATOM 0 HD1 TYR A 114 0.146 -23.328 -19.652 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.472 -21.602 -15.806 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.162 -25.568 -18.698 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.769 -23.842 -14.848 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.825 -26.020 -15.218 1.00 44.10 H new ATOM 1718 N SER A 115 1.436 -18.210 -17.959 1.00 54.30 N ATOM 1719 CA SER A 115 1.510 -16.767 -18.157 1.00 50.32 C ATOM 1720 C SER A 115 2.942 -16.267 -17.987 1.00 24.11 C ATOM 1721 O SER A 115 3.852 -17.046 -17.705 1.00 43.12 O ATOM 1722 CB SER A 115 0.585 -16.048 -17.174 1.00 73.32 C ATOM 1723 OG SER A 115 0.243 -14.756 -17.647 1.00 23.24 O ATOM 0 H SER A 115 1.236 -18.494 -17.000 1.00 54.30 H new ATOM 0 HA SER A 115 1.187 -16.548 -19.175 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.321 -16.636 -17.026 1.00 73.32 H new ATOM 0 HB3 SER A 115 1.074 -15.966 -16.203 1.00 73.32 H new ATOM 0 HG SER A 115 -0.350 -14.318 -17.002 1.00 23.24 H new ATOM 1729 N TYR A 116 3.130 -14.964 -18.159 1.00 51.11 N ATOM 1730 CA TYR A 116 4.451 -14.359 -18.027 1.00 44.22 C ATOM 1731 C TYR A 116 4.901 -14.347 -16.569 1.00 31.31 C ATOM 1732 O TYR A 116 4.090 -14.175 -15.659 1.00 23.43 O ATOM 1733 CB TYR A 116 4.439 -12.933 -18.579 1.00 65.40 C ATOM 1734 CG TYR A 116 3.671 -11.956 -17.718 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.301 -11.785 -17.879 1.00 11.14 C ATOM 1736 CD2 TYR A 116 4.315 -11.202 -16.745 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.595 -10.894 -17.094 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.617 -10.309 -15.956 1.00 43.15 C ATOM 1739 CZ TYR A 116 2.258 -10.158 -16.134 1.00 73.22 C ATOM 1740 OH TYR A 116 1.559 -9.268 -15.350 1.00 0.32 O ATOM 0 H TYR A 116 2.386 -14.306 -18.390 1.00 51.11 H new ATOM 0 HA TYR A 116 5.156 -14.959 -18.602 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.466 -12.584 -18.682 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.004 -12.943 -19.578 1.00 65.40 H new ATOM 0 HD1 TYR A 116 1.779 -12.359 -18.631 1.00 11.14 H new ATOM 0 HD2 TYR A 116 5.380 -11.316 -16.603 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.530 -10.774 -17.231 1.00 2.33 H new ATOM 0 HE2 TYR A 116 4.133 -9.732 -15.203 1.00 43.15 H new ATOM 0 HH TYR A 116 2.173 -8.831 -14.723 1.00 0.32 H new ATOM 1750 N SER A 117 6.200 -14.532 -16.356 1.00 62.40 N ATOM 1751 CA SER A 117 6.760 -14.547 -15.010 1.00 41.11 C ATOM 1752 C SER A 117 6.750 -13.147 -14.403 1.00 1.43 C ATOM 1753 O SER A 117 6.925 -12.151 -15.106 1.00 74.14 O ATOM 1754 CB SER A 117 8.187 -15.095 -15.034 1.00 43.31 C ATOM 1755 OG SER A 117 8.941 -14.508 -16.080 1.00 60.44 O ATOM 0 H SER A 117 6.884 -14.674 -17.099 1.00 62.40 H new ATOM 0 HA SER A 117 6.140 -15.197 -14.392 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.672 -14.898 -14.078 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.162 -16.177 -15.162 1.00 43.31 H new ATOM 0 HG SER A 117 9.850 -14.874 -16.073 1.00 60.44 H new ATOM 1761 N THR A 118 6.547 -13.078 -13.090 1.00 44.23 N ATOM 1762 CA THR A 118 6.513 -11.802 -12.388 1.00 62.12 C ATOM 1763 C THR A 118 7.517 -11.780 -11.241 1.00 51.22 C ATOM 1764 O THR A 118 7.609 -12.733 -10.467 1.00 52.03 O ATOM 1765 CB THR A 118 5.109 -11.503 -11.832 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.130 -12.284 -12.527 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.775 -10.025 -11.968 1.00 30.23 C ATOM 0 H THR A 118 6.404 -13.892 -12.492 1.00 44.23 H new ATOM 0 HA THR A 118 6.778 -11.034 -13.115 1.00 62.12 H new ATOM 0 HB THR A 118 5.099 -11.765 -10.774 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.240 -12.089 -12.166 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.778 -9.839 -11.568 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.504 -9.435 -11.413 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.803 -9.741 -13.020 1.00 30.23 H new ATOM 1775 N MET A 119 8.266 -10.688 -11.137 1.00 51.10 N ATOM 1776 CA MET A 119 9.262 -10.543 -10.081 1.00 43.42 C ATOM 1777 C MET A 119 9.298 -9.109 -9.562 1.00 2.14 C ATOM 1778 O MET A 119 9.021 -8.165 -10.300 1.00 61.44 O ATOM 1779 CB MET A 119 10.645 -10.946 -10.596 1.00 20.41 C ATOM 1780 CG MET A 119 11.559 -11.500 -9.515 1.00 61.24 C ATOM 1781 SD MET A 119 11.665 -13.299 -9.552 1.00 43.35 S ATOM 1782 CE MET A 119 13.066 -13.577 -8.470 1.00 1.53 C ATOM 0 H MET A 119 8.203 -9.891 -11.770 1.00 51.10 H new ATOM 0 HA MET A 119 8.982 -11.202 -9.259 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.528 -11.694 -11.380 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.121 -10.078 -11.053 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.557 -11.078 -9.637 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.195 -11.181 -8.538 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.314 -14.638 -8.461 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.923 -13.008 -8.831 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.815 -13.254 -7.460 1.00 1.53 H new ATOM 1792 N ALA A 120 9.641 -8.954 -8.287 1.00 51.45 N ATOM 1793 CA ALA A 120 9.715 -7.636 -7.670 1.00 71.34 C ATOM 1794 C ALA A 120 11.025 -7.458 -6.911 1.00 72.32 C ATOM 1795 O ALA A 120 11.341 -8.232 -6.006 1.00 32.22 O ATOM 1796 CB ALA A 120 8.530 -7.421 -6.740 1.00 12.35 C ATOM 0 H ALA A 120 9.872 -9.726 -7.661 1.00 51.45 H new ATOM 0 HA ALA A 120 9.681 -6.889 -8.463 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.598 -6.432 -6.286 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.603 -7.496 -7.309 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.539 -8.181 -5.958 1.00 12.35 H new ATOM 1802 N VAL A 121 11.786 -6.434 -7.284 1.00 53.02 N ATOM 1803 CA VAL A 121 13.062 -6.153 -6.637 1.00 21.22 C ATOM 1804 C VAL A 121 13.076 -4.755 -6.031 1.00 45.24 C ATOM 1805 O VAL A 121 12.619 -3.793 -6.650 1.00 55.42 O ATOM 1806 CB VAL A 121 14.234 -6.283 -7.629 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.564 -6.123 -6.909 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.170 -7.617 -8.357 1.00 33.42 C ATOM 0 H VAL A 121 11.541 -5.785 -8.032 1.00 53.02 H new ATOM 0 HA VAL A 121 13.183 -6.890 -5.843 1.00 21.22 H new ATOM 0 HB VAL A 121 14.151 -5.487 -8.369 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.380 -6.218 -7.626 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.607 -5.141 -6.438 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.660 -6.895 -6.146 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.005 -7.692 -9.053 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.227 -8.430 -7.633 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.232 -7.687 -8.907 1.00 33.42 H new ATOM 1818 N VAL A 122 13.604 -4.647 -4.816 1.00 24.04 N ATOM 1819 CA VAL A 122 13.679 -3.365 -4.125 1.00 52.24 C ATOM 1820 C VAL A 122 15.124 -2.894 -3.997 1.00 2.02 C ATOM 1821 O VAL A 122 15.956 -3.566 -3.386 1.00 64.54 O ATOM 1822 CB VAL A 122 13.051 -3.446 -2.722 1.00 41.24 C ATOM 1823 CG1 VAL A 122 13.054 -2.078 -2.056 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.639 -4.005 -2.803 1.00 53.13 C ATOM 0 H VAL A 122 13.986 -5.432 -4.289 1.00 24.04 H new ATOM 0 HA VAL A 122 13.118 -2.649 -4.725 1.00 52.24 H new ATOM 0 HB VAL A 122 13.651 -4.122 -2.112 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.606 -2.155 -1.065 1.00 71.54 H new ATOM 0 HG12 VAL A 122 14.080 -1.720 -1.964 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.478 -1.378 -2.661 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.210 -4.056 -1.802 1.00 53.13 H new ATOM 0 HG22 VAL A 122 11.026 -3.356 -3.428 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.668 -5.005 -3.236 1.00 53.13 H new ATOM 1834 N THR A 123 15.416 -1.734 -4.576 1.00 65.41 N ATOM 1835 CA THR A 123 16.760 -1.172 -4.528 1.00 45.23 C ATOM 1836 C THR A 123 16.912 -0.212 -3.354 1.00 73.22 C ATOM 1837 O THR A 123 16.373 0.894 -3.371 1.00 50.41 O ATOM 1838 CB THR A 123 17.106 -0.431 -5.832 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.111 0.561 -6.112 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.202 -1.402 -6.999 1.00 1.51 C ATOM 0 H THR A 123 14.739 -1.165 -5.084 1.00 65.41 H new ATOM 0 HA THR A 123 17.448 -2.008 -4.402 1.00 45.23 H new ATOM 0 HB THR A 123 18.074 0.052 -5.701 1.00 11.34 H new ATOM 0 HG1 THR A 123 15.822 0.980 -5.275 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.447 -0.854 -7.909 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.981 -2.138 -6.797 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.247 -1.911 -7.128 1.00 1.51 H new ATOM 1848 N ASN A 124 17.650 -0.642 -2.335 1.00 2.14 N ATOM 1849 CA ASN A 124 17.873 0.182 -1.153 1.00 14.35 C ATOM 1850 C ASN A 124 18.374 1.569 -1.542 1.00 21.24 C ATOM 1851 O ASN A 124 18.911 1.780 -2.631 1.00 34.35 O ATOM 1852 CB ASN A 124 18.880 -0.492 -0.219 1.00 43.11 C ATOM 1853 CG ASN A 124 20.010 -1.165 -0.975 1.00 33.41 C ATOM 1854 OD1 ASN A 124 20.943 -0.506 -1.433 1.00 65.11 O ATOM 1855 ND2 ASN A 124 19.930 -2.484 -1.109 1.00 53.22 N ATOM 0 H ASN A 124 18.103 -1.555 -2.304 1.00 2.14 H new ATOM 0 HA ASN A 124 16.921 0.292 -0.633 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.294 0.252 0.462 1.00 43.11 H new ATOM 0 HB3 ASN A 124 18.365 -1.232 0.393 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.661 -2.991 -1.608 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.138 -2.990 -0.713 1.00 53.22 H new ATOM 1862 N PRO A 125 18.197 2.540 -0.634 1.00 1.24 N ATOM 1863 CA PRO A 125 18.625 3.923 -0.859 1.00 4.12 C ATOM 1864 C PRO A 125 20.142 4.068 -0.859 1.00 22.32 C ATOM 1865 O PRO A 125 20.762 4.229 0.192 1.00 40.34 O ATOM 1866 CB PRO A 125 18.016 4.680 0.325 1.00 23.43 C ATOM 1867 CG PRO A 125 17.863 3.652 1.393 1.00 21.31 C ATOM 1868 CD PRO A 125 17.564 2.360 0.685 1.00 10.43 C ATOM 0 HA PRO A 125 18.304 4.295 -1.832 1.00 4.12 H new ATOM 0 HB2 PRO A 125 18.663 5.495 0.649 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.055 5.122 0.060 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.772 3.569 1.988 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.057 3.917 2.077 1.00 21.31 H new ATOM 0 HD2 PRO A 125 17.980 1.504 1.217 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.491 2.189 0.596 1.00 10.43 H new ATOM 1876 N LYS A 126 20.736 4.011 -2.047 1.00 1.50 N ATOM 1877 CA LYS A 126 22.182 4.137 -2.186 1.00 65.42 C ATOM 1878 C LYS A 126 22.630 5.572 -1.925 1.00 33.33 C ATOM 1879 O LYS A 126 23.748 5.808 -1.467 1.00 12.21 O ATOM 1880 CB LYS A 126 22.621 3.701 -3.585 1.00 4.33 C ATOM 1881 CG LYS A 126 21.930 4.461 -4.704 1.00 21.32 C ATOM 1882 CD LYS A 126 22.755 5.654 -5.158 1.00 73.25 C ATOM 1883 CE LYS A 126 24.028 5.216 -5.866 1.00 21.43 C ATOM 1884 NZ LYS A 126 24.355 6.101 -7.018 1.00 72.12 N1+ ATOM 0 H LYS A 126 20.238 3.878 -2.927 1.00 1.50 H new ATOM 0 HA LYS A 126 22.651 3.488 -1.447 1.00 65.42 H new ATOM 0 HB2 LYS A 126 23.699 3.836 -3.677 1.00 4.33 H new ATOM 0 HB3 LYS A 126 22.422 2.636 -3.704 1.00 4.33 H new ATOM 0 HG2 LYS A 126 21.759 3.793 -5.548 1.00 21.32 H new ATOM 0 HG3 LYS A 126 20.952 4.802 -4.364 1.00 21.32 H new ATOM 0 HD2 LYS A 126 22.160 6.275 -5.828 1.00 73.25 H new ATOM 0 HD3 LYS A 126 23.011 6.270 -4.296 1.00 73.25 H new ATOM 0 HE2 LYS A 126 24.857 5.220 -5.158 1.00 21.43 H new ATOM 0 HE3 LYS A 126 23.914 4.190 -6.217 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 25.229 5.769 -7.474 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 23.575 6.078 -7.706 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 24.489 7.075 -6.680 1.00 72.12 H new ATOM 1898 N GLU A 127 21.751 6.524 -2.220 1.00 63.52 N ATOM 1899 CA GLU A 127 22.058 7.936 -2.016 1.00 4.22 C ATOM 1900 C GLU A 127 22.141 8.266 -0.529 1.00 54.22 C ATOM 1901 O GLU A 127 22.552 9.360 -0.147 1.00 33.32 O ATOM 1902 CB GLU A 127 20.999 8.812 -2.686 1.00 12.12 C ATOM 1903 CG GLU A 127 19.579 8.485 -2.257 1.00 23.42 C ATOM 1904 CD GLU A 127 18.926 9.618 -1.489 1.00 72.31 C ATOM 1905 OE1 GLU A 127 18.562 10.631 -2.123 1.00 54.12 O ATOM 1906 OE2 GLU A 127 18.779 9.493 -0.256 1.00 44.44 O1- ATOM 0 H GLU A 127 20.822 6.344 -2.600 1.00 63.52 H new ATOM 0 HA GLU A 127 23.028 8.140 -2.470 1.00 4.22 H new ATOM 0 HB2 GLU A 127 21.207 9.857 -2.458 1.00 12.12 H new ATOM 0 HB3 GLU A 127 21.078 8.700 -3.767 1.00 12.12 H new ATOM 0 HG2 GLU A 127 18.981 8.257 -3.139 1.00 23.42 H new ATOM 0 HG3 GLU A 127 19.588 7.589 -1.637 1.00 23.42 H new TER 1913 GLU A 127