USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=38 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 112 SER OG : rot 49:sc= 0.26 USER MOD Set 1.2: A 118 THR OG1 : rot -85:sc= 0.187 USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.34 K(o=-1.4,f=-0.32) USER MOD Set 2.2: A 46 SER OG : rot 180:sc=-0.00807 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0752 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -170:sc= -0.186 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc=-0.00524 (180deg=-0.415) USER MOD Single : A 10 CYS SG : rot -82:sc= 0.0143 USER MOD Single : A 13 MET CE :methyl 144:sc= -3.56 (180deg=-7.45!) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.0901 (180deg=-0.505) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.46! K(o=-3.5!,f=-0.37) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0208 (180deg=-0.174) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 102:sc= 1.07 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00301 USER MOD Single : A 56 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.0095) USER MOD Single : A 59 THR OG1 : rot -179:sc= 1.21 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 53:sc= 0.128 USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 0.0757 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 87:sc= 1.56 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 130:sc= -0.189 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 177:sc= 0 (180deg=-0.0101) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.41) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.222 K(o=-0.22,f=-3.5!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot -15:sc= -0.582 USER MOD Single : A 106 THR OG1 : rot -126:sc= 0.93 USER MOD Single : A 110 MET CE :methyl -173:sc= 0 (180deg=-0.0868) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.106 USER MOD Single : A 119 MET CE :methyl 138:sc= -3.34! (180deg=-6.07!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.94) USER MOD Single : A 126 LYS NZ :NH3+ 163:sc=-0.00967 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.335 -1.208 -6.988 1.00 74.13 N ATOM 2 CA GLY A 1 1.399 -0.009 -6.174 1.00 34.14 C ATOM 3 C GLY A 1 2.809 0.535 -6.053 1.00 1.51 C ATOM 4 O GLY A 1 3.772 -0.066 -6.530 1.00 72.31 O ATOM 0 H1 GLY A 1 0.724 -1.036 -7.812 1.00 74.13 H new ATOM 0 H2 GLY A 1 2.291 -1.459 -7.312 1.00 74.13 H new ATOM 0 H3 GLY A 1 0.944 -1.990 -6.425 1.00 74.13 H new ATOM 0 HA2 GLY A 1 0.754 0.755 -6.607 1.00 34.14 H new ATOM 0 HA3 GLY A 1 1.011 -0.228 -5.179 1.00 34.14 H new ATOM 8 N PRO A 2 2.945 1.700 -5.404 1.00 21.03 N ATOM 9 CA PRO A 2 4.243 2.352 -5.208 1.00 2.31 C ATOM 10 C PRO A 2 5.132 1.591 -4.230 1.00 61.30 C ATOM 11 O PRO A 2 6.305 1.338 -4.507 1.00 14.21 O ATOM 12 CB PRO A 2 3.871 3.722 -4.637 1.00 23.42 C ATOM 13 CG PRO A 2 2.547 3.515 -3.987 1.00 33.11 C ATOM 14 CD PRO A 2 1.840 2.473 -4.810 1.00 34.03 C ATOM 0 HA PRO A 2 4.817 2.403 -6.134 1.00 2.31 H new ATOM 0 HB2 PRO A 2 4.615 4.067 -3.919 1.00 23.42 H new ATOM 0 HB3 PRO A 2 3.813 4.476 -5.422 1.00 23.42 H new ATOM 0 HG2 PRO A 2 2.666 3.183 -2.956 1.00 33.11 H new ATOM 0 HG3 PRO A 2 1.977 4.443 -3.959 1.00 33.11 H new ATOM 0 HD2 PRO A 2 1.195 1.845 -4.195 1.00 34.03 H new ATOM 0 HD3 PRO A 2 1.209 2.925 -5.575 1.00 34.03 H new ATOM 22 N THR A 3 4.565 1.227 -3.084 1.00 23.42 N ATOM 23 CA THR A 3 5.306 0.495 -2.063 1.00 41.32 C ATOM 24 C THR A 3 4.610 -0.814 -1.712 1.00 20.13 C ATOM 25 O THR A 3 3.405 -0.961 -1.911 1.00 54.11 O ATOM 26 CB THR A 3 5.477 1.334 -0.783 1.00 33.42 C ATOM 27 OG1 THR A 3 4.213 1.488 -0.127 1.00 11.12 O ATOM 28 CG2 THR A 3 6.057 2.702 -1.105 1.00 11.31 C ATOM 0 H THR A 3 3.595 1.427 -2.839 1.00 23.42 H new ATOM 0 HA THR A 3 6.290 0.279 -2.480 1.00 41.32 H new ATOM 0 HB THR A 3 6.168 0.811 -0.122 1.00 33.42 H new ATOM 0 HG1 THR A 3 4.330 2.021 0.687 1.00 11.12 H new ATOM 0 HG21 THR A 3 6.168 3.276 -0.185 1.00 11.31 H new ATOM 0 HG22 THR A 3 7.032 2.582 -1.578 1.00 11.31 H new ATOM 0 HG23 THR A 3 5.387 3.231 -1.783 1.00 11.31 H new ATOM 36 N GLY A 4 5.377 -1.764 -1.185 1.00 1.33 N ATOM 37 CA GLY A 4 4.814 -3.050 -0.813 1.00 1.34 C ATOM 38 C GLY A 4 4.821 -3.273 0.687 1.00 45.41 C ATOM 39 O GLY A 4 4.936 -2.324 1.463 1.00 60.11 O ATOM 0 H GLY A 4 6.377 -1.667 -1.009 1.00 1.33 H new ATOM 0 HA2 GLY A 4 3.791 -3.116 -1.182 1.00 1.34 H new ATOM 0 HA3 GLY A 4 5.380 -3.845 -1.298 1.00 1.34 H new ATOM 43 N THR A 5 4.694 -4.532 1.097 1.00 12.54 N ATOM 44 CA THR A 5 4.681 -4.875 2.513 1.00 74.23 C ATOM 45 C THR A 5 5.426 -6.182 2.767 1.00 64.14 C ATOM 46 O THR A 5 5.797 -6.888 1.832 1.00 14.45 O ATOM 47 CB THR A 5 3.243 -5.005 3.048 1.00 71.41 C ATOM 48 OG1 THR A 5 2.411 -5.636 2.067 1.00 32.23 O ATOM 49 CG2 THR A 5 2.672 -3.640 3.402 1.00 53.45 C ATOM 0 H THR A 5 4.599 -5.330 0.468 1.00 12.54 H new ATOM 0 HA THR A 5 5.183 -4.063 3.040 1.00 74.23 H new ATOM 0 HB THR A 5 3.268 -5.616 3.950 1.00 71.41 H new ATOM 0 HG1 THR A 5 1.498 -5.717 2.415 1.00 32.23 H new ATOM 0 HG21 THR A 5 1.655 -3.757 3.778 1.00 53.45 H new ATOM 0 HG22 THR A 5 3.291 -3.174 4.169 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.660 -3.009 2.513 1.00 53.45 H new ATOM 57 N GLY A 6 5.640 -6.497 4.041 1.00 24.13 N ATOM 58 CA GLY A 6 6.339 -7.719 4.395 1.00 71.40 C ATOM 59 C GLY A 6 7.698 -7.451 5.011 1.00 43.52 C ATOM 60 O GLY A 6 8.579 -6.885 4.365 1.00 52.21 O ATOM 0 H GLY A 6 5.342 -5.928 4.834 1.00 24.13 H new ATOM 0 HA2 GLY A 6 5.732 -8.291 5.096 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.462 -8.335 3.504 1.00 71.40 H new ATOM 64 N GLU A 7 7.868 -7.858 6.265 1.00 62.41 N ATOM 65 CA GLU A 7 9.129 -7.655 6.969 1.00 61.05 C ATOM 66 C GLU A 7 9.849 -8.984 7.187 1.00 62.33 C ATOM 67 O GLU A 7 9.366 -10.039 6.776 1.00 20.21 O ATOM 68 CB GLU A 7 8.885 -6.968 8.314 1.00 41.31 C ATOM 69 CG GLU A 7 8.189 -7.855 9.333 1.00 34.13 C ATOM 70 CD GLU A 7 8.104 -7.212 10.704 1.00 31.31 C ATOM 71 OE1 GLU A 7 9.160 -7.053 11.350 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 6.981 -6.869 11.130 1.00 50.32 O ATOM 0 H GLU A 7 7.149 -8.330 6.814 1.00 62.41 H new ATOM 0 HA GLU A 7 9.760 -7.015 6.353 1.00 61.05 H new ATOM 0 HB2 GLU A 7 9.840 -6.639 8.723 1.00 41.31 H new ATOM 0 HB3 GLU A 7 8.283 -6.074 8.152 1.00 41.31 H new ATOM 0 HG2 GLU A 7 7.184 -8.086 8.981 1.00 34.13 H new ATOM 0 HG3 GLU A 7 8.725 -8.801 9.412 1.00 34.13 H new ATOM 79 N SER A 8 11.007 -8.922 7.837 1.00 11.13 N ATOM 80 CA SER A 8 11.796 -10.119 8.108 1.00 73.41 C ATOM 81 C SER A 8 13.039 -9.778 8.926 1.00 2.22 C ATOM 82 O SER A 8 13.457 -8.621 8.988 1.00 44.50 O ATOM 83 CB SER A 8 12.205 -10.792 6.796 1.00 62.10 C ATOM 84 OG SER A 8 13.202 -11.774 7.016 1.00 14.33 O ATOM 0 H SER A 8 11.420 -8.057 8.186 1.00 11.13 H new ATOM 0 HA SER A 8 11.180 -10.807 8.686 1.00 73.41 H new ATOM 0 HB2 SER A 8 11.333 -11.253 6.332 1.00 62.10 H new ATOM 0 HB3 SER A 8 12.577 -10.041 6.099 1.00 62.10 H new ATOM 0 HG SER A 8 13.559 -12.077 6.155 1.00 14.33 H new ATOM 90 N LYS A 9 13.624 -10.792 9.551 1.00 44.32 N ATOM 91 CA LYS A 9 14.819 -10.603 10.366 1.00 23.33 C ATOM 92 C LYS A 9 16.045 -10.378 9.488 1.00 33.34 C ATOM 93 O LYS A 9 16.670 -9.317 9.539 1.00 14.24 O ATOM 94 CB LYS A 9 15.042 -11.817 11.271 1.00 44.14 C ATOM 95 CG LYS A 9 13.858 -12.132 12.168 1.00 44.04 C ATOM 96 CD LYS A 9 13.775 -13.618 12.480 1.00 2.52 C ATOM 97 CE LYS A 9 14.738 -14.009 13.589 1.00 53.35 C ATOM 98 NZ LYS A 9 16.106 -14.280 13.066 1.00 32.34 N1+ ATOM 0 H LYS A 9 13.290 -11.755 9.509 1.00 44.32 H new ATOM 0 HA LYS A 9 14.670 -9.719 10.986 1.00 23.33 H new ATOM 0 HB2 LYS A 9 15.259 -12.687 10.651 1.00 44.14 H new ATOM 0 HB3 LYS A 9 15.921 -11.641 11.892 1.00 44.14 H new ATOM 0 HG2 LYS A 9 13.944 -11.568 13.097 1.00 44.04 H new ATOM 0 HG3 LYS A 9 12.937 -11.809 11.683 1.00 44.04 H new ATOM 0 HD2 LYS A 9 12.757 -13.873 12.774 1.00 2.52 H new ATOM 0 HD3 LYS A 9 14.000 -14.193 11.582 1.00 2.52 H new ATOM 0 HE2 LYS A 9 14.784 -13.210 14.329 1.00 53.35 H new ATOM 0 HE3 LYS A 9 14.362 -14.895 14.100 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 16.616 -14.896 13.731 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 16.037 -14.751 12.141 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 16.621 -13.383 12.960 1.00 32.34 H new ATOM 112 N CYS A 10 16.382 -11.379 8.682 1.00 72.52 N ATOM 113 CA CYS A 10 17.534 -11.289 7.792 1.00 50.34 C ATOM 114 C CYS A 10 17.449 -10.042 6.918 1.00 44.02 C ATOM 115 O CYS A 10 16.384 -9.452 6.737 1.00 44.02 O ATOM 116 CB CYS A 10 17.623 -12.537 6.912 1.00 33.40 C ATOM 117 SG CYS A 10 18.671 -13.845 7.592 1.00 22.45 S ATOM 0 H CYS A 10 15.874 -12.262 8.627 1.00 72.52 H new ATOM 0 HA CYS A 10 18.432 -11.221 8.406 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.619 -12.933 6.759 1.00 33.40 H new ATOM 0 HB3 CYS A 10 18.006 -12.251 5.932 1.00 33.40 H new ATOM 0 HG CYS A 10 19.915 -13.594 7.311 1.00 22.45 H new ATOM 123 N PRO A 11 18.599 -9.629 6.364 1.00 41.21 N ATOM 124 CA PRO A 11 18.682 -8.447 5.500 1.00 32.44 C ATOM 125 C PRO A 11 17.997 -8.662 4.155 1.00 33.11 C ATOM 126 O PRO A 11 17.513 -7.715 3.535 1.00 40.40 O ATOM 127 CB PRO A 11 20.188 -8.252 5.309 1.00 52.53 C ATOM 128 CG PRO A 11 20.773 -9.606 5.512 1.00 50.33 C ATOM 129 CD PRO A 11 19.907 -10.284 6.537 1.00 12.12 C ATOM 0 HA PRO A 11 18.179 -7.585 5.939 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.415 -7.868 4.314 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.589 -7.536 6.026 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.786 -10.169 4.579 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.805 -9.537 5.857 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.845 -11.358 6.363 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.295 -10.146 7.546 1.00 12.12 H new ATOM 137 N LEU A 12 17.959 -9.913 3.709 1.00 24.44 N ATOM 138 CA LEU A 12 17.332 -10.253 2.438 1.00 13.33 C ATOM 139 C LEU A 12 16.239 -11.299 2.632 1.00 62.23 C ATOM 140 O LEU A 12 16.400 -12.243 3.404 1.00 61.54 O ATOM 141 CB LEU A 12 18.381 -10.773 1.453 1.00 1.41 C ATOM 142 CG LEU A 12 18.907 -9.760 0.435 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.551 -8.578 1.143 1.00 43.24 C ATOM 144 CD2 LEU A 12 19.898 -10.420 -0.513 1.00 3.34 C ATOM 0 H LEU A 12 18.355 -10.708 4.210 1.00 24.44 H new ATOM 0 HA LEU A 12 16.877 -9.349 2.033 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.227 -11.157 2.023 1.00 1.41 H new ATOM 0 HB3 LEU A 12 17.954 -11.616 0.909 1.00 1.41 H new ATOM 0 HG LEU A 12 18.065 -9.392 -0.151 1.00 23.13 H new ATOM 0 HD11 LEU A 12 19.920 -7.867 0.403 1.00 43.24 H new ATOM 0 HD12 LEU A 12 18.813 -8.089 1.780 1.00 43.24 H new ATOM 0 HD13 LEU A 12 20.382 -8.929 1.754 1.00 43.24 H new ATOM 0 HD21 LEU A 12 20.261 -9.684 -1.230 1.00 3.34 H new ATOM 0 HD22 LEU A 12 20.738 -10.817 0.057 1.00 3.34 H new ATOM 0 HD23 LEU A 12 19.405 -11.233 -1.046 1.00 3.34 H new ATOM 156 N MET A 13 15.129 -11.124 1.922 1.00 42.14 N ATOM 157 CA MET A 13 14.009 -12.056 2.014 1.00 33.41 C ATOM 158 C MET A 13 13.536 -12.476 0.627 1.00 40.04 C ATOM 159 O MET A 13 13.463 -11.657 -0.290 1.00 53.03 O ATOM 160 CB MET A 13 12.853 -11.422 2.790 1.00 72.22 C ATOM 161 CG MET A 13 11.945 -12.437 3.464 1.00 31.44 C ATOM 162 SD MET A 13 10.298 -11.783 3.797 1.00 1.33 S ATOM 163 CE MET A 13 9.302 -12.809 2.717 1.00 15.23 C ATOM 0 H MET A 13 14.980 -10.347 1.278 1.00 42.14 H new ATOM 0 HA MET A 13 14.350 -12.944 2.546 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.259 -10.751 3.547 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.260 -10.812 2.108 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.860 -13.320 2.830 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.400 -12.760 4.401 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.346 -13.021 3.196 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.129 -12.286 1.776 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.825 -13.745 2.521 1.00 15.23 H new ATOM 173 N VAL A 14 13.215 -13.757 0.479 1.00 0.34 N ATOM 174 CA VAL A 14 12.748 -14.285 -0.798 1.00 54.11 C ATOM 175 C VAL A 14 11.361 -14.904 -0.662 1.00 75.31 C ATOM 176 O VAL A 14 11.184 -15.916 0.015 1.00 44.51 O ATOM 177 CB VAL A 14 13.718 -15.344 -1.357 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.302 -15.764 -2.757 1.00 65.25 C ATOM 179 CG2 VAL A 14 15.144 -14.815 -1.351 1.00 54.20 C ATOM 0 H VAL A 14 13.270 -14.448 1.227 1.00 0.34 H new ATOM 0 HA VAL A 14 12.702 -13.444 -1.490 1.00 54.11 H new ATOM 0 HB VAL A 14 13.678 -16.223 -0.714 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.999 -16.512 -3.135 1.00 65.25 H new ATOM 0 HG12 VAL A 14 12.298 -16.186 -2.727 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.311 -14.895 -3.415 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.816 -15.576 -1.749 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.202 -13.920 -1.970 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.437 -14.570 -0.330 1.00 54.20 H new ATOM 189 N LYS A 15 10.379 -14.289 -1.312 1.00 45.14 N ATOM 190 CA LYS A 15 9.006 -14.779 -1.266 1.00 34.42 C ATOM 191 C LYS A 15 8.656 -15.533 -2.545 1.00 3.44 C ATOM 192 O LYS A 15 8.777 -14.997 -3.647 1.00 33.44 O ATOM 193 CB LYS A 15 8.034 -13.615 -1.064 1.00 23.14 C ATOM 194 CG LYS A 15 6.658 -14.048 -0.588 1.00 20.51 C ATOM 195 CD LYS A 15 6.566 -14.045 0.928 1.00 21.44 C ATOM 196 CE LYS A 15 6.214 -12.666 1.464 1.00 61.00 C ATOM 197 NZ LYS A 15 4.842 -12.249 1.064 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.508 -13.450 -1.877 1.00 45.14 H new ATOM 0 HA LYS A 15 8.919 -15.466 -0.424 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.458 -12.920 -0.339 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.930 -13.072 -2.003 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.902 -13.380 -1.001 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.440 -15.047 -0.965 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.812 -14.764 1.249 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.517 -14.369 1.352 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.290 -12.669 2.551 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.937 -11.938 1.096 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.483 -11.544 1.739 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.869 -11.834 0.111 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.214 -13.078 1.063 1.00 31.20 H new ATOM 211 N VAL A 16 8.217 -16.778 -2.392 1.00 43.13 N ATOM 212 CA VAL A 16 7.846 -17.604 -3.534 1.00 14.13 C ATOM 213 C VAL A 16 6.332 -17.754 -3.634 1.00 22.53 C ATOM 214 O VAL A 16 5.724 -18.530 -2.896 1.00 43.30 O ATOM 215 CB VAL A 16 8.484 -19.003 -3.446 1.00 62.10 C ATOM 216 CG1 VAL A 16 8.119 -19.834 -4.667 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.995 -18.891 -3.301 1.00 0.34 C ATOM 0 H VAL A 16 8.110 -17.237 -1.487 1.00 43.13 H new ATOM 0 HA VAL A 16 8.219 -17.098 -4.425 1.00 14.13 H new ATOM 0 HB VAL A 16 8.093 -19.507 -2.562 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.579 -20.819 -4.587 1.00 24.42 H new ATOM 0 HG12 VAL A 16 7.036 -19.942 -4.723 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.481 -19.337 -5.567 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.430 -19.889 -3.240 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.406 -18.368 -4.165 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.233 -18.336 -2.394 1.00 0.34 H new ATOM 227 N LEU A 17 5.729 -17.007 -4.552 1.00 52.23 N ATOM 228 CA LEU A 17 4.284 -17.056 -4.751 1.00 52.32 C ATOM 229 C LEU A 17 3.943 -17.606 -6.132 1.00 63.31 C ATOM 230 O LEU A 17 4.763 -17.561 -7.048 1.00 71.44 O ATOM 231 CB LEU A 17 3.678 -15.662 -4.581 1.00 44.04 C ATOM 232 CG LEU A 17 2.986 -15.388 -3.245 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.571 -14.149 -2.585 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.487 -15.232 -3.444 1.00 53.44 C ATOM 0 H LEU A 17 6.218 -16.360 -5.171 1.00 52.23 H new ATOM 0 HA LEU A 17 3.861 -17.723 -4.000 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.470 -14.925 -4.715 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.955 -15.502 -5.381 1.00 44.04 H new ATOM 0 HG LEU A 17 3.158 -16.240 -2.587 1.00 44.34 H new ATOM 0 HD11 LEU A 17 3.066 -13.970 -1.636 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.636 -14.300 -2.407 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.431 -13.288 -3.239 1.00 1.50 H new ATOM 0 HD21 LEU A 17 1.011 -15.038 -2.483 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.294 -14.399 -4.120 1.00 53.44 H new ATOM 0 HD23 LEU A 17 1.080 -16.148 -3.872 1.00 53.44 H new ATOM 246 N ASP A 18 2.728 -18.124 -6.272 1.00 52.03 N ATOM 247 CA ASP A 18 2.276 -18.681 -7.542 1.00 1.53 C ATOM 248 C ASP A 18 1.338 -17.713 -8.257 1.00 31.30 C ATOM 249 O ASP A 18 0.439 -17.138 -7.643 1.00 2.31 O ATOM 250 CB ASP A 18 1.572 -20.019 -7.315 1.00 21.40 C ATOM 251 CG ASP A 18 1.871 -21.024 -8.410 1.00 31.11 C ATOM 252 OD1 ASP A 18 2.979 -21.599 -8.401 1.00 31.41 O1- ATOM 253 OD2 ASP A 18 0.996 -21.233 -9.278 1.00 53.44 O ATOM 0 H ASP A 18 2.038 -18.170 -5.522 1.00 52.03 H new ATOM 0 HA ASP A 18 3.151 -18.842 -8.172 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.881 -20.430 -6.354 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.496 -19.855 -7.260 1.00 21.40 H new ATOM 258 N ALA A 19 1.554 -17.538 -9.556 1.00 54.11 N ATOM 259 CA ALA A 19 0.727 -16.641 -10.354 1.00 4.04 C ATOM 260 C ALA A 19 -0.527 -17.349 -10.854 1.00 72.45 C ATOM 261 O ALA A 19 -1.514 -16.707 -11.212 1.00 54.10 O ATOM 262 CB ALA A 19 1.526 -16.089 -11.525 1.00 64.31 C ATOM 0 H ALA A 19 2.295 -18.006 -10.079 1.00 54.11 H new ATOM 0 HA ALA A 19 0.415 -15.813 -9.718 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.896 -15.421 -12.112 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.388 -15.538 -11.150 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.867 -16.912 -12.153 1.00 64.31 H new ATOM 268 N VAL A 20 -0.481 -18.678 -10.877 1.00 1.32 N ATOM 269 CA VAL A 20 -1.615 -19.474 -11.333 1.00 4.11 C ATOM 270 C VAL A 20 -2.591 -19.743 -10.194 1.00 34.21 C ATOM 271 O VAL A 20 -3.797 -19.868 -10.413 1.00 24.34 O ATOM 272 CB VAL A 20 -1.154 -20.818 -11.927 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.351 -21.704 -12.235 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.315 -20.588 -13.175 1.00 1.33 C ATOM 0 H VAL A 20 0.329 -19.225 -10.585 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.117 -18.895 -12.108 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.535 -21.329 -11.190 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.006 -22.649 -12.654 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -2.908 -21.895 -11.318 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -2.999 -21.203 -12.955 1.00 42.40 H new ATOM 0 HG21 VAL A 20 0.003 -21.548 -13.582 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -0.908 -20.057 -13.919 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.563 -19.994 -12.919 1.00 1.33 H new ATOM 284 N ARG A 21 -2.063 -19.828 -8.977 1.00 70.43 N ATOM 285 CA ARG A 21 -2.889 -20.083 -7.803 1.00 40.24 C ATOM 286 C ARG A 21 -3.067 -18.813 -6.978 1.00 25.13 C ATOM 287 O ARG A 21 -3.995 -18.705 -6.177 1.00 25.45 O ATOM 288 CB ARG A 21 -2.262 -21.180 -6.940 1.00 54.04 C ATOM 289 CG ARG A 21 -1.714 -22.348 -7.745 1.00 23.13 C ATOM 290 CD ARG A 21 -0.982 -23.342 -6.856 1.00 70.24 C ATOM 291 NE ARG A 21 -1.902 -24.255 -6.184 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.442 -24.013 -4.995 1.00 13.33 C ATOM 293 NH1 ARG A 21 -2.156 -22.890 -4.350 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.270 -24.894 -4.449 1.00 42.11 N ATOM 0 H ARG A 21 -1.068 -19.724 -8.779 1.00 70.43 H new ATOM 0 HA ARG A 21 -3.869 -20.415 -8.145 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.456 -20.748 -6.347 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.010 -21.551 -6.239 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.532 -22.852 -8.260 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.035 -21.976 -8.512 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.277 -23.916 -7.458 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.399 -22.801 -6.111 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.144 -25.127 -6.654 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -1.520 -22.210 -4.767 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -2.572 -22.706 -3.437 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.493 -25.759 -4.942 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -3.684 -24.707 -3.536 1.00 42.11 H new ATOM 308 N GLY A 22 -2.171 -17.850 -7.180 1.00 14.01 N ATOM 309 CA GLY A 22 -2.246 -16.601 -6.446 1.00 71.33 C ATOM 310 C GLY A 22 -1.960 -16.776 -4.969 1.00 55.30 C ATOM 311 O GLY A 22 -2.380 -15.962 -4.146 1.00 35.44 O ATOM 0 H GLY A 22 -1.395 -17.914 -7.839 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.534 -15.892 -6.869 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.239 -16.169 -6.571 1.00 71.33 H new ATOM 315 N SER A 23 -1.243 -17.844 -4.629 1.00 52.31 N ATOM 316 CA SER A 23 -0.906 -18.127 -3.240 1.00 31.20 C ATOM 317 C SER A 23 0.552 -18.560 -3.112 1.00 73.43 C ATOM 318 O SER A 23 1.189 -18.979 -4.078 1.00 43.22 O ATOM 319 CB SER A 23 -1.823 -19.216 -2.682 1.00 51.44 C ATOM 320 OG SER A 23 -2.888 -18.652 -1.936 1.00 24.23 O ATOM 0 H SER A 23 -0.885 -18.526 -5.297 1.00 52.31 H new ATOM 0 HA SER A 23 -1.048 -17.212 -2.664 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.224 -19.813 -3.501 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.248 -19.891 -2.048 1.00 51.44 H new ATOM 0 HG SER A 23 -3.461 -19.368 -1.591 1.00 24.23 H new ATOM 326 N PRO A 24 1.094 -18.456 -1.889 1.00 13.40 N ATOM 327 CA PRO A 24 2.483 -18.831 -1.605 1.00 34.35 C ATOM 328 C PRO A 24 2.702 -20.339 -1.681 1.00 53.53 C ATOM 329 O PRO A 24 1.919 -21.118 -1.138 1.00 40.42 O ATOM 330 CB PRO A 24 2.699 -18.332 -0.174 1.00 12.41 C ATOM 331 CG PRO A 24 1.337 -18.308 0.430 1.00 62.31 C ATOM 332 CD PRO A 24 0.394 -17.964 -0.691 1.00 53.31 C ATOM 0 HA PRO A 24 3.177 -18.405 -2.329 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.366 -18.994 0.379 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.153 -17.341 -0.165 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.087 -19.274 0.868 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.278 -17.570 1.230 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.574 -18.448 -0.564 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.209 -16.891 -0.746 1.00 53.31 H new ATOM 340 N ALA A 25 3.773 -20.742 -2.358 1.00 24.51 N ATOM 341 CA ALA A 25 4.097 -22.156 -2.503 1.00 10.44 C ATOM 342 C ALA A 25 4.760 -22.699 -1.242 1.00 33.45 C ATOM 343 O ALA A 25 5.482 -21.981 -0.551 1.00 43.13 O ATOM 344 CB ALA A 25 4.997 -22.370 -3.711 1.00 61.41 C ATOM 0 H ALA A 25 4.430 -20.109 -2.814 1.00 24.51 H new ATOM 0 HA ALA A 25 3.167 -22.703 -2.656 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.231 -23.430 -3.807 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.486 -22.028 -4.611 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.920 -21.805 -3.582 1.00 61.41 H new ATOM 350 N ILE A 26 4.510 -23.971 -0.949 1.00 22.35 N ATOM 351 CA ILE A 26 5.083 -24.610 0.229 1.00 34.21 C ATOM 352 C ILE A 26 6.152 -25.625 -0.162 1.00 14.43 C ATOM 353 O ILE A 26 6.027 -26.313 -1.174 1.00 25.11 O ATOM 354 CB ILE A 26 4.003 -25.317 1.069 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.094 -24.286 1.742 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.648 -26.222 2.109 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.009 -24.904 2.596 1.00 11.52 C ATOM 0 H ILE A 26 3.915 -24.579 -1.511 1.00 22.35 H new ATOM 0 HA ILE A 26 5.536 -23.819 0.827 1.00 34.21 H new ATOM 0 HB ILE A 26 3.395 -25.934 0.407 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.702 -23.627 2.362 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.632 -23.665 0.975 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.872 -26.714 2.695 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.257 -26.975 1.609 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.278 -25.626 2.770 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.403 -24.115 3.042 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.377 -25.541 1.977 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.464 -25.502 3.386 1.00 11.52 H new ATOM 369 N ASN A 27 7.202 -25.712 0.648 1.00 12.42 N ATOM 370 CA ASN A 27 8.294 -26.644 0.387 1.00 73.32 C ATOM 371 C ASN A 27 8.926 -26.373 -0.974 1.00 13.34 C ATOM 372 O ASN A 27 9.085 -27.283 -1.789 1.00 65.22 O ATOM 373 CB ASN A 27 7.786 -28.085 0.449 1.00 73.52 C ATOM 374 CG ASN A 27 7.627 -28.582 1.873 1.00 73.20 C ATOM 375 OD1 ASN A 27 7.875 -29.752 2.166 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.212 -27.692 2.767 1.00 31.42 N ATOM 0 H ASN A 27 7.320 -25.149 1.490 1.00 12.42 H new ATOM 0 HA ASN A 27 9.054 -26.500 1.155 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.827 -28.152 -0.065 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.480 -28.735 -0.084 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.087 -27.968 3.741 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.018 -26.733 2.480 1.00 31.42 H new ATOM 383 N VAL A 28 9.286 -25.116 -1.215 1.00 10.34 N ATOM 384 CA VAL A 28 9.903 -24.726 -2.476 1.00 3.15 C ATOM 385 C VAL A 28 11.422 -24.687 -2.355 1.00 50.12 C ATOM 386 O VAL A 28 11.991 -23.717 -1.854 1.00 52.30 O ATOM 387 CB VAL A 28 9.401 -23.347 -2.944 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.157 -22.896 -4.184 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.903 -23.388 -3.208 1.00 33.20 C ATOM 0 H VAL A 28 9.161 -24.351 -0.553 1.00 10.34 H new ATOM 0 HA VAL A 28 9.619 -25.477 -3.213 1.00 3.15 H new ATOM 0 HB VAL A 28 9.588 -22.623 -2.151 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.789 -21.920 -4.500 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.221 -22.826 -3.956 1.00 40.10 H new ATOM 0 HG13 VAL A 28 10.004 -23.618 -4.986 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.565 -22.406 -3.538 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.690 -24.124 -3.983 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.380 -23.663 -2.292 1.00 33.20 H new ATOM 399 N ALA A 29 12.075 -25.748 -2.819 1.00 21.11 N ATOM 400 CA ALA A 29 13.529 -25.834 -2.766 1.00 13.43 C ATOM 401 C ALA A 29 14.175 -24.608 -3.404 1.00 73.30 C ATOM 402 O ALA A 29 14.141 -24.439 -4.623 1.00 24.22 O ATOM 403 CB ALA A 29 14.009 -27.104 -3.453 1.00 1.22 C ATOM 0 H ALA A 29 11.620 -26.560 -3.236 1.00 21.11 H new ATOM 0 HA ALA A 29 13.828 -25.866 -1.718 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.097 -27.154 -3.406 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.583 -27.973 -2.951 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.691 -27.096 -4.496 1.00 1.22 H new ATOM 409 N VAL A 30 14.764 -23.755 -2.572 1.00 52.51 N ATOM 410 CA VAL A 30 15.419 -22.545 -3.054 1.00 62.05 C ATOM 411 C VAL A 30 16.898 -22.536 -2.686 1.00 64.44 C ATOM 412 O VAL A 30 17.288 -23.030 -1.628 1.00 3.33 O ATOM 413 CB VAL A 30 14.751 -21.280 -2.484 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.412 -20.029 -3.042 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.259 -21.284 -2.783 1.00 50.55 C ATOM 0 H VAL A 30 14.801 -23.880 -1.560 1.00 52.51 H new ATOM 0 HA VAL A 30 15.318 -22.542 -4.139 1.00 62.05 H new ATOM 0 HB VAL A 30 14.881 -21.278 -1.402 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.926 -19.145 -2.628 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.468 -20.024 -2.771 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.316 -20.020 -4.128 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.803 -20.383 -2.373 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.104 -21.310 -3.862 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.799 -22.162 -2.329 1.00 50.55 H new ATOM 425 N HIS A 31 17.718 -21.970 -3.566 1.00 4.33 N ATOM 426 CA HIS A 31 19.156 -21.896 -3.333 1.00 20.44 C ATOM 427 C HIS A 31 19.681 -20.493 -3.623 1.00 70.41 C ATOM 428 O HIS A 31 19.177 -19.801 -4.508 1.00 62.13 O ATOM 429 CB HIS A 31 19.889 -22.917 -4.203 1.00 42.03 C ATOM 430 CG HIS A 31 19.186 -24.236 -4.299 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.991 -24.900 -5.491 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.632 -25.015 -3.340 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.346 -26.030 -5.264 1.00 63.14 C ATOM 434 NE2 HIS A 31 18.116 -26.124 -3.966 1.00 23.04 N ATOM 0 H HIS A 31 17.411 -21.556 -4.446 1.00 4.33 H new ATOM 0 HA HIS A 31 19.341 -22.125 -2.284 1.00 20.44 H new ATOM 0 HB2 HIS A 31 20.012 -22.506 -5.205 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.889 -23.076 -3.798 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.601 -24.804 -2.281 1.00 21.01 H new ATOM 0 HE1 HIS A 31 18.056 -26.754 -6.011 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.634 -26.895 -3.504 1.00 23.04 H new ATOM 442 N VAL A 32 20.696 -20.079 -2.871 1.00 33.14 N ATOM 443 CA VAL A 32 21.290 -18.759 -3.048 1.00 13.25 C ATOM 444 C VAL A 32 22.798 -18.857 -3.245 1.00 62.02 C ATOM 445 O VAL A 32 23.505 -19.447 -2.428 1.00 63.22 O ATOM 446 CB VAL A 32 20.999 -17.847 -1.841 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.351 -16.403 -2.167 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.542 -17.967 -1.421 1.00 30.45 C ATOM 0 H VAL A 32 21.124 -20.639 -2.133 1.00 33.14 H new ATOM 0 HA VAL A 32 20.838 -18.325 -3.940 1.00 13.25 H new ATOM 0 HB VAL A 32 21.621 -18.169 -1.006 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.139 -15.773 -1.303 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.410 -16.334 -2.415 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.756 -16.066 -3.016 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.355 -17.316 -0.567 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.899 -17.672 -2.250 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.327 -18.999 -1.144 1.00 30.45 H new ATOM 458 N PHE A 33 23.286 -18.273 -4.335 1.00 14.51 N ATOM 459 CA PHE A 33 24.712 -18.294 -4.640 1.00 10.33 C ATOM 460 C PHE A 33 25.265 -16.877 -4.753 1.00 51.44 C ATOM 461 O PHE A 33 24.514 -15.918 -4.932 1.00 61.13 O ATOM 462 CB PHE A 33 24.965 -19.058 -5.942 1.00 54.22 C ATOM 463 CG PHE A 33 24.587 -20.510 -5.868 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.258 -20.897 -5.911 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.562 -21.488 -5.753 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.907 -22.232 -5.845 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.217 -22.825 -5.686 1.00 51.24 C ATOM 468 CZ PHE A 33 23.888 -23.197 -5.730 1.00 15.51 C ATOM 0 H PHE A 33 22.715 -17.780 -5.021 1.00 14.51 H new ATOM 0 HA PHE A 33 25.226 -18.801 -3.823 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.402 -18.585 -6.747 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.021 -18.978 -6.201 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.486 -20.146 -5.997 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.603 -21.203 -5.715 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.867 -22.520 -5.883 1.00 31.23 H new ATOM 0 HE2 PHE A 33 25.986 -23.578 -5.599 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.616 -24.241 -5.675 1.00 15.51 H new ATOM 478 N ARG A 34 26.584 -16.752 -4.646 1.00 32.15 N ATOM 479 CA ARG A 34 27.239 -15.453 -4.735 1.00 13.44 C ATOM 480 C ARG A 34 28.251 -15.430 -5.876 1.00 21.02 C ATOM 481 O ARG A 34 28.897 -16.437 -6.168 1.00 3.34 O ATOM 482 CB ARG A 34 27.936 -15.119 -3.415 1.00 72.25 C ATOM 483 CG ARG A 34 29.256 -15.847 -3.222 1.00 3.34 C ATOM 484 CD ARG A 34 29.792 -15.663 -1.810 1.00 53.42 C ATOM 485 NE ARG A 34 31.231 -15.899 -1.737 1.00 31.04 N ATOM 486 CZ ARG A 34 32.142 -14.998 -2.088 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.765 -13.809 -2.536 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.434 -15.287 -1.991 1.00 2.43 N ATOM 0 H ARG A 34 27.220 -17.535 -4.497 1.00 32.15 H new ATOM 0 HA ARG A 34 26.475 -14.702 -4.936 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.113 -14.044 -3.369 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.270 -15.367 -2.589 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.120 -16.909 -3.425 1.00 3.34 H new ATOM 0 HG3 ARG A 34 29.986 -15.476 -3.941 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.573 -14.652 -1.468 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.278 -16.347 -1.135 1.00 53.42 H new ATOM 0 HE ARG A 34 31.554 -16.805 -1.398 1.00 31.04 H new ATOM 0 HH11 ARG A 34 30.773 -13.584 -2.612 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.467 -13.119 -2.805 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.728 -16.201 -1.647 1.00 2.43 H new ATOM 0 HH22 ARG A 34 34.133 -14.595 -2.261 1.00 2.43 H new ATOM 502 N LYS A 35 28.384 -14.275 -6.520 1.00 54.20 N ATOM 503 CA LYS A 35 29.317 -14.121 -7.629 1.00 73.31 C ATOM 504 C LYS A 35 30.759 -14.159 -7.137 1.00 71.34 C ATOM 505 O LYS A 35 31.180 -13.310 -6.351 1.00 63.22 O ATOM 506 CB LYS A 35 29.052 -12.804 -8.364 1.00 24.12 C ATOM 507 CG LYS A 35 30.166 -12.406 -9.318 1.00 14.42 C ATOM 508 CD LYS A 35 30.364 -13.444 -10.409 1.00 34.13 C ATOM 509 CE LYS A 35 29.213 -13.434 -11.404 1.00 42.22 C ATOM 510 NZ LYS A 35 29.210 -12.197 -12.234 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.857 -13.432 -6.292 1.00 54.20 H new ATOM 0 HA LYS A 35 29.165 -14.953 -8.317 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.120 -12.890 -8.923 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.912 -12.010 -7.631 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.932 -11.442 -9.770 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.095 -12.280 -8.762 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.300 -13.249 -10.932 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.450 -14.434 -9.960 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.286 -14.307 -12.053 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.268 -13.514 -10.867 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.586 -12.331 -13.055 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 28.866 -11.398 -11.665 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.176 -11.997 -12.563 1.00 53.31 H new ATOM 524 N ALA A 36 31.514 -15.149 -7.604 1.00 33.44 N ATOM 525 CA ALA A 36 32.910 -15.295 -7.213 1.00 70.02 C ATOM 526 C ALA A 36 33.814 -14.404 -8.059 1.00 20.11 C ATOM 527 O ALA A 36 33.338 -13.639 -8.898 1.00 35.22 O ATOM 528 CB ALA A 36 33.341 -16.750 -7.331 1.00 3.22 C ATOM 0 H ALA A 36 31.181 -15.861 -8.254 1.00 33.44 H new ATOM 0 HA ALA A 36 33.005 -14.981 -6.173 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.386 -16.845 -7.036 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.722 -17.367 -6.679 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.224 -17.082 -8.363 1.00 3.22 H new ATOM 534 N ALA A 37 35.119 -14.508 -7.832 1.00 24.23 N ATOM 535 CA ALA A 37 36.088 -13.711 -8.574 1.00 41.33 C ATOM 536 C ALA A 37 36.381 -14.333 -9.935 1.00 62.24 C ATOM 537 O ALA A 37 37.053 -13.729 -10.772 1.00 15.13 O ATOM 538 CB ALA A 37 37.373 -13.562 -7.773 1.00 20.34 C ATOM 0 H ALA A 37 35.529 -15.136 -7.141 1.00 24.23 H new ATOM 0 HA ALA A 37 35.659 -12.723 -8.739 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.088 -12.965 -8.339 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.156 -13.067 -6.826 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.797 -14.547 -7.579 1.00 20.34 H new ATOM 544 N ASP A 38 35.875 -15.542 -10.150 1.00 62.14 N ATOM 545 CA ASP A 38 36.083 -16.245 -11.411 1.00 4.12 C ATOM 546 C ASP A 38 34.821 -16.209 -12.267 1.00 0.42 C ATOM 547 O ASP A 38 34.589 -17.099 -13.085 1.00 23.13 O ATOM 548 CB ASP A 38 36.494 -17.695 -11.148 1.00 0.10 C ATOM 549 CG ASP A 38 37.830 -18.041 -11.777 1.00 65.21 C ATOM 550 OD1 ASP A 38 37.871 -18.246 -13.008 1.00 5.41 O ATOM 551 OD2 ASP A 38 38.834 -18.104 -11.038 1.00 40.31 O1- ATOM 0 H ASP A 38 35.318 -16.056 -9.468 1.00 62.14 H new ATOM 0 HA ASP A 38 36.883 -15.741 -11.953 1.00 4.12 H new ATOM 0 HB2 ASP A 38 36.547 -17.865 -10.073 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.727 -18.364 -11.539 1.00 0.10 H new ATOM 556 N ASP A 39 34.010 -15.175 -12.074 1.00 22.23 N ATOM 557 CA ASP A 39 32.772 -15.022 -12.828 1.00 13.11 C ATOM 558 C ASP A 39 31.856 -16.224 -12.620 1.00 31.25 C ATOM 559 O ASP A 39 31.022 -16.538 -13.469 1.00 44.13 O ATOM 560 CB ASP A 39 33.076 -14.847 -14.317 1.00 2.13 C ATOM 561 CG ASP A 39 33.735 -13.517 -14.621 1.00 55.52 C ATOM 562 OD1 ASP A 39 34.895 -13.320 -14.202 1.00 22.43 O ATOM 563 OD2 ASP A 39 33.092 -12.672 -15.280 1.00 75.13 O1- ATOM 0 H ASP A 39 34.188 -14.430 -11.401 1.00 22.23 H new ATOM 0 HA ASP A 39 32.260 -14.132 -12.462 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.727 -15.656 -14.649 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.150 -14.929 -14.886 1.00 2.13 H new ATOM 568 N THR A 40 32.020 -16.896 -11.485 1.00 30.11 N ATOM 569 CA THR A 40 31.210 -18.065 -11.166 1.00 25.33 C ATOM 570 C THR A 40 30.254 -17.776 -10.014 1.00 51.15 C ATOM 571 O THR A 40 30.200 -16.655 -9.508 1.00 63.30 O ATOM 572 CB THR A 40 32.090 -19.274 -10.795 1.00 62.55 C ATOM 573 OG1 THR A 40 32.822 -18.998 -9.595 1.00 73.04 O ATOM 574 CG2 THR A 40 33.060 -19.603 -11.920 1.00 33.22 C ATOM 0 H THR A 40 32.706 -16.651 -10.771 1.00 30.11 H new ATOM 0 HA THR A 40 30.635 -18.303 -12.061 1.00 25.33 H new ATOM 0 HB THR A 40 31.438 -20.133 -10.634 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.377 -19.772 -9.365 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.671 -20.460 -11.635 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.501 -19.841 -12.825 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.705 -18.744 -12.107 1.00 33.22 H new ATOM 582 N TRP A 41 29.504 -18.791 -9.605 1.00 51.02 N ATOM 583 CA TRP A 41 28.549 -18.645 -8.512 1.00 63.44 C ATOM 584 C TRP A 41 28.825 -19.661 -7.409 1.00 42.43 C ATOM 585 O TRP A 41 28.679 -20.866 -7.614 1.00 72.23 O ATOM 586 CB TRP A 41 27.119 -18.809 -9.030 1.00 61.33 C ATOM 587 CG TRP A 41 26.760 -17.829 -10.105 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.700 -18.071 -11.448 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.416 -16.451 -9.928 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.337 -16.927 -12.116 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.156 -15.919 -11.206 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.299 -15.615 -8.814 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.789 -14.590 -11.398 1.00 72.03 C ATOM 594 CZ3 TRP A 41 25.934 -14.296 -9.007 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.682 -13.794 -10.290 1.00 4.00 C ATOM 0 H TRP A 41 29.538 -19.725 -10.013 1.00 51.02 H new ATOM 0 HA TRP A 41 28.663 -17.645 -8.095 1.00 63.44 H new ATOM 0 HB2 TRP A 41 26.994 -19.821 -9.415 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.424 -18.696 -8.198 1.00 61.33 H new ATOM 0 HD1 TRP A 41 26.907 -19.022 -11.916 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.221 -16.842 -13.126 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.490 -15.993 -7.821 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.596 -14.201 -12.387 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.841 -13.641 -8.153 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.398 -12.759 -10.407 1.00 4.00 H new ATOM 606 N GLU A 42 29.222 -19.168 -6.240 1.00 14.31 N ATOM 607 CA GLU A 42 29.518 -20.035 -5.107 1.00 22.31 C ATOM 608 C GLU A 42 28.292 -20.197 -4.211 1.00 30.22 C ATOM 609 O GLU A 42 27.381 -19.370 -4.209 1.00 23.11 O ATOM 610 CB GLU A 42 30.685 -19.471 -4.294 1.00 42.11 C ATOM 611 CG GLU A 42 32.049 -19.863 -4.835 1.00 72.32 C ATOM 612 CD GLU A 42 33.125 -19.855 -3.767 1.00 0.20 C ATOM 613 OE1 GLU A 42 32.876 -19.299 -2.678 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.216 -20.407 -4.021 1.00 22.45 O ATOM 0 H GLU A 42 29.346 -18.173 -6.053 1.00 14.31 H new ATOM 0 HA GLU A 42 29.796 -21.015 -5.496 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.610 -18.384 -4.273 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.599 -19.816 -3.264 1.00 42.11 H new ATOM 0 HG2 GLU A 42 31.988 -20.858 -5.277 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.330 -19.176 -5.634 1.00 72.32 H new ATOM 621 N PRO A 43 28.268 -21.289 -3.434 1.00 55.32 N ATOM 622 CA PRO A 43 27.161 -21.587 -2.520 1.00 0.45 C ATOM 623 C PRO A 43 27.111 -20.624 -1.338 1.00 61.23 C ATOM 624 O PRO A 43 28.067 -20.515 -0.572 1.00 55.41 O ATOM 625 CB PRO A 43 27.470 -23.007 -2.039 1.00 61.34 C ATOM 626 CG PRO A 43 28.945 -23.145 -2.187 1.00 40.42 C ATOM 627 CD PRO A 43 29.321 -22.318 -3.385 1.00 75.22 C ATOM 0 HA PRO A 43 26.192 -21.489 -3.009 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.161 -23.150 -1.004 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.941 -23.751 -2.635 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.461 -22.794 -1.293 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.227 -24.188 -2.329 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.311 -21.875 -3.273 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.341 -22.916 -4.296 1.00 75.22 H new ATOM 635 N PHE A 44 25.988 -19.928 -1.197 1.00 1.12 N ATOM 636 CA PHE A 44 25.812 -18.973 -0.108 1.00 62.35 C ATOM 637 C PHE A 44 24.846 -19.516 0.941 1.00 72.22 C ATOM 638 O PHE A 44 25.182 -19.607 2.121 1.00 41.04 O ATOM 639 CB PHE A 44 25.296 -17.638 -0.650 1.00 22.21 C ATOM 640 CG PHE A 44 25.205 -16.563 0.394 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.352 -16.003 0.934 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.972 -16.111 0.836 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.270 -15.014 1.896 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.885 -15.122 1.796 1.00 23.30 C ATOM 645 CZ PHE A 44 25.035 -14.572 2.326 1.00 2.44 C ATOM 0 H PHE A 44 25.186 -20.007 -1.823 1.00 1.12 H new ATOM 0 HA PHE A 44 26.782 -18.815 0.364 1.00 62.35 H new ATOM 0 HB2 PHE A 44 25.954 -17.301 -1.451 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.311 -17.790 -1.090 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.321 -16.343 0.599 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.069 -16.537 0.425 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.171 -14.587 2.311 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.918 -14.779 2.132 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.969 -13.797 3.076 1.00 2.44 H new ATOM 655 N ALA A 45 23.644 -19.874 0.500 1.00 74.54 N ATOM 656 CA ALA A 45 22.629 -20.409 1.400 1.00 71.13 C ATOM 657 C ALA A 45 21.586 -21.215 0.633 1.00 63.11 C ATOM 658 O ALA A 45 21.627 -21.292 -0.595 1.00 0.42 O ATOM 659 CB ALA A 45 21.962 -19.281 2.174 1.00 14.12 C ATOM 0 H ALA A 45 23.350 -19.803 -0.474 1.00 74.54 H new ATOM 0 HA ALA A 45 23.121 -21.078 2.106 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.207 -19.695 2.842 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.712 -18.749 2.760 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.489 -18.590 1.476 1.00 14.12 H new ATOM 665 N SER A 46 20.654 -21.817 1.366 1.00 60.52 N ATOM 666 CA SER A 46 19.603 -22.622 0.754 1.00 52.32 C ATOM 667 C SER A 46 18.501 -22.933 1.763 1.00 40.50 C ATOM 668 O SER A 46 18.742 -22.977 2.969 1.00 65.02 O ATOM 669 CB SER A 46 20.186 -23.925 0.202 1.00 70.12 C ATOM 670 OG SER A 46 19.227 -24.966 0.233 1.00 13.53 O ATOM 0 H SER A 46 20.605 -21.762 2.383 1.00 60.52 H new ATOM 0 HA SER A 46 19.171 -22.049 -0.066 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.526 -23.770 -0.822 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.059 -24.213 0.787 1.00 70.12 H new ATOM 0 HG SER A 46 19.624 -25.787 -0.126 1.00 13.53 H new ATOM 676 N GLY A 47 17.290 -23.149 1.258 1.00 11.14 N ATOM 677 CA GLY A 47 16.169 -23.453 2.127 1.00 1.53 C ATOM 678 C GLY A 47 14.866 -23.590 1.365 1.00 63.12 C ATOM 679 O GLY A 47 14.824 -23.394 0.150 1.00 62.23 O ATOM 0 H GLY A 47 17.066 -23.119 0.263 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.371 -24.379 2.665 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.068 -22.666 2.874 1.00 1.53 H new ATOM 683 N LYS A 48 13.798 -23.931 2.078 1.00 51.41 N ATOM 684 CA LYS A 48 12.486 -24.096 1.463 1.00 3.33 C ATOM 685 C LYS A 48 11.491 -23.084 2.021 1.00 14.54 C ATOM 686 O LYS A 48 11.695 -22.528 3.101 1.00 53.10 O ATOM 687 CB LYS A 48 11.967 -25.517 1.692 1.00 54.50 C ATOM 688 CG LYS A 48 12.801 -26.587 1.008 1.00 35.21 C ATOM 689 CD LYS A 48 12.309 -27.983 1.353 1.00 13.00 C ATOM 690 CE LYS A 48 13.257 -29.052 0.834 1.00 55.05 C ATOM 691 NZ LYS A 48 12.885 -30.409 1.323 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.815 -24.099 3.084 1.00 51.41 H new ATOM 0 HA LYS A 48 12.591 -23.922 0.392 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.942 -25.717 2.763 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.941 -25.582 1.331 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.764 -26.444 -0.072 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.844 -26.483 1.307 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.209 -28.078 2.434 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.318 -28.136 0.927 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.251 -29.045 -0.256 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.274 -28.819 1.149 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.556 -31.109 0.947 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 12.915 -30.424 2.362 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 11.924 -30.642 1.001 1.00 60.34 H new ATOM 705 N THR A 49 10.413 -22.848 1.280 1.00 35.43 N ATOM 706 CA THR A 49 9.386 -21.904 1.702 1.00 51.31 C ATOM 707 C THR A 49 8.313 -22.594 2.536 1.00 3.20 C ATOM 708 O THR A 49 8.257 -23.823 2.599 1.00 55.41 O ATOM 709 CB THR A 49 8.722 -21.221 0.493 1.00 40.10 C ATOM 710 OG1 THR A 49 8.058 -22.197 -0.319 1.00 34.44 O ATOM 711 CG2 THR A 49 9.752 -20.475 -0.342 1.00 72.54 C ATOM 0 H THR A 49 10.229 -23.298 0.384 1.00 35.43 H new ATOM 0 HA THR A 49 9.882 -21.148 2.310 1.00 51.31 H new ATOM 0 HB THR A 49 7.992 -20.503 0.867 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.094 -22.168 -0.143 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.258 -20.001 -1.190 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.233 -19.712 0.270 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.503 -21.176 -0.705 1.00 72.54 H new ATOM 719 N SER A 50 7.462 -21.798 3.174 1.00 13.14 N ATOM 720 CA SER A 50 6.391 -22.332 4.006 1.00 23.01 C ATOM 721 C SER A 50 5.028 -21.868 3.502 1.00 61.40 C ATOM 722 O SER A 50 4.911 -21.331 2.402 1.00 4.13 O ATOM 723 CB SER A 50 6.584 -21.901 5.461 1.00 14.25 C ATOM 724 OG SER A 50 7.939 -22.026 5.855 1.00 22.21 O ATOM 0 H SER A 50 7.494 -20.779 3.131 1.00 13.14 H new ATOM 0 HA SER A 50 6.428 -23.420 3.949 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.261 -20.867 5.583 1.00 14.25 H new ATOM 0 HB3 SER A 50 5.956 -22.511 6.110 1.00 14.25 H new ATOM 0 HG SER A 50 8.036 -21.743 6.788 1.00 22.21 H new ATOM 730 N GLU A 51 3.999 -22.080 4.318 1.00 40.23 N ATOM 731 CA GLU A 51 2.643 -21.684 3.955 1.00 60.32 C ATOM 732 C GLU A 51 2.574 -20.188 3.662 1.00 42.55 C ATOM 733 O GLU A 51 1.653 -19.717 2.995 1.00 73.13 O ATOM 734 CB GLU A 51 1.666 -22.041 5.077 1.00 71.34 C ATOM 735 CG GLU A 51 2.168 -21.670 6.461 1.00 5.20 C ATOM 736 CD GLU A 51 1.128 -20.929 7.280 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.247 -21.597 7.862 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.194 -19.683 7.338 1.00 51.42 O1- ATOM 0 H GLU A 51 4.079 -22.523 5.233 1.00 40.23 H new ATOM 0 HA GLU A 51 2.362 -22.227 3.053 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.718 -21.535 4.896 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.467 -23.112 5.047 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.464 -22.575 6.991 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.059 -21.050 6.366 1.00 5.20 H new ATOM 745 N SER A 52 3.554 -19.445 4.166 1.00 0.31 N ATOM 746 CA SER A 52 3.602 -18.002 3.963 1.00 24.21 C ATOM 747 C SER A 52 4.417 -17.656 2.720 1.00 24.50 C ATOM 748 O SER A 52 4.314 -16.552 2.186 1.00 12.24 O ATOM 749 CB SER A 52 4.205 -17.314 5.189 1.00 63.01 C ATOM 750 OG SER A 52 4.548 -15.968 4.902 1.00 15.33 O ATOM 0 H SER A 52 4.326 -19.819 4.718 1.00 0.31 H new ATOM 0 HA SER A 52 2.582 -17.645 3.819 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.492 -17.343 6.013 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.092 -17.857 5.515 1.00 63.01 H new ATOM 0 HG SER A 52 4.930 -15.550 5.702 1.00 15.33 H new ATOM 756 N GLY A 53 5.225 -18.608 2.266 1.00 45.14 N ATOM 757 CA GLY A 53 6.045 -18.385 1.089 1.00 60.22 C ATOM 758 C GLY A 53 7.308 -17.607 1.402 1.00 74.10 C ATOM 759 O GLY A 53 8.128 -17.360 0.518 1.00 12.51 O ATOM 0 H GLY A 53 5.327 -19.529 2.691 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.313 -19.346 0.649 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.464 -17.844 0.342 1.00 60.22 H new ATOM 763 N GLU A 54 7.466 -17.218 2.664 1.00 43.33 N ATOM 764 CA GLU A 54 8.637 -16.462 3.089 1.00 51.21 C ATOM 765 C GLU A 54 9.730 -17.395 3.604 1.00 32.34 C ATOM 766 O GLU A 54 9.451 -18.371 4.300 1.00 45.34 O ATOM 767 CB GLU A 54 8.256 -15.456 4.177 1.00 52.21 C ATOM 768 CG GLU A 54 7.817 -16.105 5.479 1.00 3.13 C ATOM 769 CD GLU A 54 7.481 -15.089 6.553 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.922 -13.927 6.429 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.777 -15.454 7.517 1.00 3.21 O ATOM 0 H GLU A 54 6.797 -17.414 3.409 1.00 43.33 H new ATOM 0 HA GLU A 54 9.022 -15.922 2.224 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.109 -14.806 4.374 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.451 -14.821 3.807 1.00 52.21 H new ATOM 0 HG2 GLU A 54 6.945 -16.732 5.292 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.610 -16.760 5.839 1.00 3.13 H new ATOM 778 N LEU A 55 10.975 -17.087 3.258 1.00 2.41 N ATOM 779 CA LEU A 55 12.111 -17.897 3.684 1.00 22.44 C ATOM 780 C LEU A 55 13.226 -17.019 4.244 1.00 75.42 C ATOM 781 O LEU A 55 13.936 -16.348 3.495 1.00 42.00 O ATOM 782 CB LEU A 55 12.638 -18.727 2.512 1.00 1.43 C ATOM 783 CG LEU A 55 13.832 -19.633 2.817 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.547 -20.501 4.032 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.167 -20.497 1.609 1.00 12.22 C ATOM 0 H LEU A 55 11.224 -16.282 2.683 1.00 2.41 H new ATOM 0 HA LEU A 55 11.772 -18.568 4.473 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.824 -19.346 2.136 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.919 -18.047 1.708 1.00 1.43 H new ATOM 0 HG LEU A 55 14.694 -19.004 3.040 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.408 -21.139 4.234 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.356 -19.865 4.897 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.673 -21.122 3.838 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.019 -21.135 1.843 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.307 -21.117 1.356 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.415 -19.858 0.762 1.00 12.22 H new ATOM 797 N HIS A 56 13.375 -17.031 5.564 1.00 62.22 N ATOM 798 CA HIS A 56 14.406 -16.238 6.224 1.00 52.21 C ATOM 799 C HIS A 56 15.320 -17.126 7.062 1.00 65.14 C ATOM 800 O HIS A 56 15.069 -18.320 7.221 1.00 61.43 O ATOM 801 CB HIS A 56 13.767 -15.166 7.108 1.00 44.24 C ATOM 802 CG HIS A 56 12.639 -15.677 7.949 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.778 -15.995 9.283 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.344 -15.925 7.639 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.619 -16.417 9.757 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.733 -16.383 8.779 1.00 75.35 N ATOM 0 H HIS A 56 12.795 -17.581 6.198 1.00 62.22 H new ATOM 0 HA HIS A 56 15.006 -15.753 5.454 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.531 -14.741 7.759 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.401 -14.357 6.476 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.879 -15.788 6.674 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.429 -16.735 10.771 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.753 -16.653 8.858 1.00 75.35 H new ATOM 814 N GLY A 57 16.386 -16.534 7.596 1.00 54.50 N ATOM 815 CA GLY A 57 17.322 -17.287 8.410 1.00 51.11 C ATOM 816 C GLY A 57 18.321 -18.064 7.576 1.00 44.14 C ATOM 817 O GLY A 57 18.969 -18.987 8.071 1.00 3.50 O ATOM 0 H GLY A 57 16.617 -15.547 7.479 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.857 -16.603 9.069 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.770 -17.978 9.048 1.00 51.11 H new ATOM 821 N LEU A 58 18.446 -17.691 6.307 1.00 1.11 N ATOM 822 CA LEU A 58 19.373 -18.361 5.401 1.00 53.45 C ATOM 823 C LEU A 58 20.817 -18.154 5.848 1.00 62.15 C ATOM 824 O LEU A 58 21.559 -19.116 6.053 1.00 35.35 O ATOM 825 CB LEU A 58 19.190 -17.840 3.975 1.00 64.24 C ATOM 826 CG LEU A 58 18.236 -18.641 3.086 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.103 -17.985 1.720 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.718 -20.077 2.944 1.00 62.04 C ATOM 0 H LEU A 58 17.918 -16.929 5.882 1.00 1.11 H new ATOM 0 HA LEU A 58 19.155 -19.429 5.422 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.829 -16.813 4.028 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.167 -17.810 3.492 1.00 64.24 H new ATOM 0 HG LEU A 58 17.254 -18.653 3.559 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.421 -18.568 1.101 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.712 -16.975 1.838 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.081 -17.942 1.240 1.00 55.53 H new ATOM 0 HD21 LEU A 58 18.027 -20.631 2.309 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.711 -20.085 2.494 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.762 -20.545 3.927 1.00 62.04 H new ATOM 840 N THR A 59 21.209 -16.893 6.000 1.00 11.10 N ATOM 841 CA THR A 59 22.563 -16.559 6.424 1.00 32.02 C ATOM 842 C THR A 59 22.549 -15.523 7.542 1.00 65.34 C ATOM 843 O THR A 59 21.487 -15.094 7.992 1.00 12.31 O ATOM 844 CB THR A 59 23.402 -16.021 5.250 1.00 50.44 C ATOM 845 OG1 THR A 59 22.644 -15.061 4.506 1.00 55.13 O ATOM 846 CG2 THR A 59 23.838 -17.153 4.332 1.00 44.44 C ATOM 0 H THR A 59 20.608 -16.086 5.836 1.00 11.10 H new ATOM 0 HA THR A 59 23.016 -17.480 6.792 1.00 32.02 H new ATOM 0 HB THR A 59 24.293 -15.543 5.658 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.177 -14.739 3.749 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.429 -16.748 3.511 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.440 -17.867 4.895 1.00 44.44 H new ATOM 0 HG23 THR A 59 22.958 -17.657 3.932 1.00 44.44 H new ATOM 854 N THR A 60 23.737 -15.125 7.987 1.00 54.44 N ATOM 855 CA THR A 60 23.861 -14.138 9.053 1.00 13.13 C ATOM 856 C THR A 60 24.363 -12.805 8.513 1.00 21.15 C ATOM 857 O THR A 60 24.746 -12.701 7.348 1.00 14.52 O ATOM 858 CB THR A 60 24.818 -14.624 10.158 1.00 25.41 C ATOM 859 OG1 THR A 60 26.073 -15.008 9.586 1.00 64.13 O ATOM 860 CG2 THR A 60 24.218 -15.801 10.914 1.00 52.01 C ATOM 0 H THR A 60 24.626 -15.471 7.626 1.00 54.44 H new ATOM 0 HA THR A 60 22.866 -14.003 9.476 1.00 13.13 H new ATOM 0 HB THR A 60 24.975 -13.804 10.859 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.676 -15.314 10.295 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.911 -16.127 11.689 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.277 -15.497 11.373 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.035 -16.623 10.222 1.00 52.01 H new ATOM 868 N GLU A 61 24.359 -11.786 9.366 1.00 22.20 N ATOM 869 CA GLU A 61 24.815 -10.458 8.972 1.00 34.44 C ATOM 870 C GLU A 61 26.335 -10.419 8.847 1.00 75.15 C ATOM 871 O GLU A 61 26.885 -9.634 8.074 1.00 20.20 O ATOM 872 CB GLU A 61 24.349 -9.412 9.988 1.00 63.34 C ATOM 873 CG GLU A 61 24.807 -8.001 9.661 1.00 15.31 C ATOM 874 CD GLU A 61 24.394 -7.561 8.269 1.00 74.31 C ATOM 875 OE1 GLU A 61 23.431 -8.140 7.725 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 25.037 -6.638 7.726 1.00 31.33 O ATOM 0 H GLU A 61 24.045 -11.854 10.334 1.00 22.20 H new ATOM 0 HA GLU A 61 24.382 -10.227 7.999 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.260 -9.429 10.041 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.720 -9.686 10.975 1.00 63.34 H new ATOM 0 HG2 GLU A 61 24.393 -7.309 10.394 1.00 15.31 H new ATOM 0 HG3 GLU A 61 25.892 -7.946 9.748 1.00 15.31 H new ATOM 883 N GLU A 62 27.008 -11.272 9.614 1.00 42.53 N ATOM 884 CA GLU A 62 28.465 -11.334 9.589 1.00 43.33 C ATOM 885 C GLU A 62 28.957 -12.065 8.344 1.00 65.32 C ATOM 886 O GLU A 62 30.066 -11.822 7.867 1.00 62.24 O ATOM 887 CB GLU A 62 28.989 -12.034 10.845 1.00 54.13 C ATOM 888 CG GLU A 62 28.320 -11.566 12.126 1.00 32.32 C ATOM 889 CD GLU A 62 29.319 -11.154 13.189 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.421 -11.741 13.229 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 28.999 -10.243 13.983 1.00 12.42 O ATOM 0 H GLU A 62 26.568 -11.928 10.259 1.00 42.53 H new ATOM 0 HA GLU A 62 28.846 -10.313 9.564 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.842 -13.109 10.740 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.063 -11.866 10.923 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.665 -10.724 11.903 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.690 -12.366 12.515 1.00 32.32 H new ATOM 898 N GLU A 63 28.125 -12.960 7.821 1.00 72.05 N ATOM 899 CA GLU A 63 28.477 -13.727 6.632 1.00 4.24 C ATOM 900 C GLU A 63 27.977 -13.032 5.369 1.00 63.22 C ATOM 901 O GLU A 63 28.577 -13.155 4.301 1.00 24.32 O ATOM 902 CB GLU A 63 27.892 -15.138 6.717 1.00 2.20 C ATOM 903 CG GLU A 63 28.046 -15.939 5.435 1.00 63.03 C ATOM 904 CD GLU A 63 29.494 -16.088 5.010 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.386 -15.833 5.846 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.734 -16.459 3.842 1.00 13.21 O ATOM 0 H GLU A 63 27.203 -13.172 8.202 1.00 72.05 H new ATOM 0 HA GLU A 63 29.564 -13.795 6.583 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.378 -15.675 7.532 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.833 -15.069 6.967 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.609 -16.928 5.574 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.485 -15.452 4.637 1.00 63.03 H new ATOM 913 N PHE A 64 26.874 -12.303 5.500 1.00 65.55 N ATOM 914 CA PHE A 64 26.292 -11.589 4.369 1.00 2.44 C ATOM 915 C PHE A 64 27.195 -10.441 3.927 1.00 64.41 C ATOM 916 O PHE A 64 27.409 -9.483 4.669 1.00 23.03 O ATOM 917 CB PHE A 64 24.907 -11.050 4.737 1.00 11.52 C ATOM 918 CG PHE A 64 24.192 -10.400 3.587 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.425 -9.072 3.270 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.286 -11.118 2.824 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.768 -8.471 2.213 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.626 -10.523 1.764 1.00 23.23 C ATOM 923 CZ PHE A 64 22.867 -9.198 1.460 1.00 20.10 C ATOM 0 H PHE A 64 26.365 -12.191 6.377 1.00 65.55 H new ATOM 0 HA PHE A 64 26.194 -12.291 3.541 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.297 -11.869 5.118 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.010 -10.327 5.546 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.129 -8.499 3.856 1.00 2.21 H new ATOM 0 HD2 PHE A 64 23.093 -12.154 3.059 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.959 -7.435 1.976 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.923 -11.094 1.175 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.351 -8.730 0.634 1.00 20.10 H new ATOM 933 N VAL A 65 27.723 -10.546 2.711 1.00 21.05 N ATOM 934 CA VAL A 65 28.603 -9.519 2.168 1.00 15.40 C ATOM 935 C VAL A 65 27.979 -8.848 0.950 1.00 44.42 C ATOM 936 O VAL A 65 26.871 -9.195 0.538 1.00 15.41 O ATOM 937 CB VAL A 65 29.972 -10.104 1.773 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.743 -10.540 3.009 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.796 -11.264 0.805 1.00 3.14 C ATOM 0 H VAL A 65 27.556 -11.333 2.084 1.00 21.05 H new ATOM 0 HA VAL A 65 28.746 -8.778 2.954 1.00 15.40 H new ATOM 0 HB VAL A 65 30.549 -9.327 1.271 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.707 -10.951 2.710 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.901 -9.681 3.661 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.174 -11.301 3.543 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.773 -11.665 0.536 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.200 -12.045 1.278 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.288 -10.914 -0.094 1.00 3.14 H new ATOM 949 N GLU A 66 28.696 -7.887 0.377 1.00 71.12 N ATOM 950 CA GLU A 66 28.211 -7.166 -0.794 1.00 72.12 C ATOM 951 C GLU A 66 28.568 -7.912 -2.077 1.00 23.14 C ATOM 952 O GLU A 66 29.432 -8.788 -2.078 1.00 1.30 O ATOM 953 CB GLU A 66 28.797 -5.754 -0.832 1.00 3.54 C ATOM 954 CG GLU A 66 30.315 -5.723 -0.783 1.00 73.15 C ATOM 955 CD GLU A 66 30.887 -4.397 -1.246 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.632 -4.013 -2.406 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 31.590 -3.744 -0.447 1.00 63.51 O ATOM 0 H GLU A 66 29.615 -7.589 0.705 1.00 71.12 H new ATOM 0 HA GLU A 66 27.125 -7.098 -0.723 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.461 -5.255 -1.741 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.403 -5.184 0.009 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.646 -5.921 0.237 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.711 -6.523 -1.408 1.00 73.15 H new ATOM 964 N GLY A 67 27.897 -7.556 -3.168 1.00 24.52 N ATOM 965 CA GLY A 67 28.157 -8.200 -4.442 1.00 43.11 C ATOM 966 C GLY A 67 26.895 -8.739 -5.088 1.00 53.01 C ATOM 967 O GLY A 67 25.787 -8.461 -4.627 1.00 30.33 O ATOM 0 H GLY A 67 27.178 -6.833 -3.192 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.630 -7.486 -5.116 1.00 43.11 H new ATOM 0 HA3 GLY A 67 28.864 -9.017 -4.295 1.00 43.11 H new ATOM 971 N ILE A 68 27.062 -9.509 -6.157 1.00 63.14 N ATOM 972 CA ILE A 68 25.928 -10.087 -6.867 1.00 74.20 C ATOM 973 C ILE A 68 25.603 -11.481 -6.342 1.00 31.45 C ATOM 974 O ILE A 68 26.491 -12.216 -5.910 1.00 12.54 O ATOM 975 CB ILE A 68 26.194 -10.170 -8.382 1.00 73.34 C ATOM 976 CG1 ILE A 68 26.750 -8.841 -8.898 1.00 50.12 C ATOM 977 CG2 ILE A 68 24.920 -10.542 -9.123 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.256 -8.829 -9.039 1.00 72.12 C ATOM 0 H ILE A 68 27.972 -9.747 -6.551 1.00 63.14 H new ATOM 0 HA ILE A 68 25.078 -9.428 -6.692 1.00 74.20 H new ATOM 0 HB ILE A 68 26.936 -10.947 -8.564 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.301 -8.620 -9.866 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.451 -8.043 -8.218 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.124 -10.597 -10.192 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.564 -11.510 -8.771 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.157 -9.786 -8.937 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.579 -7.856 -9.409 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.714 -9.018 -8.068 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.562 -9.604 -9.742 1.00 72.12 H new ATOM 990 N TYR A 69 24.325 -11.839 -6.381 1.00 70.53 N ATOM 991 CA TYR A 69 23.881 -13.144 -5.908 1.00 5.55 C ATOM 992 C TYR A 69 22.816 -13.726 -6.834 1.00 31.10 C ATOM 993 O TYR A 69 21.992 -12.999 -7.387 1.00 43.33 O ATOM 994 CB TYR A 69 23.331 -13.035 -4.485 1.00 75.15 C ATOM 995 CG TYR A 69 24.372 -12.640 -3.462 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.760 -11.314 -3.314 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.967 -13.592 -2.644 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.711 -10.948 -2.382 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.919 -13.235 -1.708 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.287 -11.912 -1.581 1.00 12.51 C ATOM 1001 OH TYR A 69 27.234 -11.551 -0.650 1.00 52.05 O ATOM 0 H TYR A 69 23.577 -11.243 -6.736 1.00 70.53 H new ATOM 0 HA TYR A 69 24.741 -13.813 -5.907 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.524 -12.302 -4.471 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.897 -13.993 -4.198 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.310 -10.557 -3.939 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.681 -14.629 -2.741 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.002 -9.913 -2.281 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.372 -13.988 -1.080 1.00 72.34 H new ATOM 0 HH TYR A 69 26.877 -10.839 -0.079 1.00 52.05 H new ATOM 1011 N LYS A 70 22.841 -15.045 -6.997 1.00 53.33 N ATOM 1012 CA LYS A 70 21.879 -15.728 -7.853 1.00 53.10 C ATOM 1013 C LYS A 70 20.986 -16.656 -7.036 1.00 14.23 C ATOM 1014 O LYS A 70 21.473 -17.460 -6.240 1.00 71.33 O ATOM 1015 CB LYS A 70 22.606 -16.526 -8.938 1.00 4.23 C ATOM 1016 CG LYS A 70 21.680 -17.092 -10.000 1.00 73.02 C ATOM 1017 CD LYS A 70 22.385 -18.126 -10.862 1.00 24.44 C ATOM 1018 CE LYS A 70 22.527 -19.455 -10.135 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.482 -20.365 -10.826 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.517 -15.662 -6.547 1.00 53.33 H new ATOM 0 HA LYS A 70 21.251 -14.973 -8.326 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.344 -15.883 -9.417 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.152 -17.345 -8.470 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.812 -17.546 -9.522 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.310 -16.283 -10.630 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.826 -18.273 -11.786 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.371 -17.756 -11.142 1.00 24.44 H new ATOM 0 HE2 LYS A 70 22.868 -19.277 -9.115 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.552 -19.937 -10.065 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 23.055 -21.308 -10.922 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.702 -19.986 -11.769 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.358 -20.437 -10.269 1.00 5.14 H new ATOM 1033 N VAL A 71 19.677 -16.542 -7.237 1.00 73.11 N ATOM 1034 CA VAL A 71 18.717 -17.373 -6.521 1.00 34.45 C ATOM 1035 C VAL A 71 18.051 -18.374 -7.457 1.00 63.22 C ATOM 1036 O VAL A 71 17.515 -18.001 -8.500 1.00 63.42 O ATOM 1037 CB VAL A 71 17.630 -16.518 -5.844 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.554 -17.405 -5.236 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.246 -15.613 -4.787 1.00 13.51 C ATOM 0 H VAL A 71 19.257 -15.881 -7.891 1.00 73.11 H new ATOM 0 HA VAL A 71 19.274 -17.912 -5.755 1.00 34.45 H new ATOM 0 HB VAL A 71 17.163 -15.889 -6.602 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.795 -16.783 -4.762 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.093 -18.007 -6.019 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.002 -18.062 -4.490 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.464 -15.016 -4.319 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.740 -16.222 -4.030 1.00 13.51 H new ATOM 0 HG23 VAL A 71 18.976 -14.952 -5.254 1.00 13.51 H new ATOM 1049 N GLU A 72 18.089 -19.648 -7.077 1.00 52.24 N ATOM 1050 CA GLU A 72 17.489 -20.704 -7.884 1.00 34.02 C ATOM 1051 C GLU A 72 16.271 -21.299 -7.182 1.00 45.41 C ATOM 1052 O GLU A 72 16.343 -21.689 -6.017 1.00 32.53 O ATOM 1053 CB GLU A 72 18.513 -21.803 -8.171 1.00 24.24 C ATOM 1054 CG GLU A 72 19.631 -21.365 -9.102 1.00 50.22 C ATOM 1055 CD GLU A 72 20.647 -22.462 -9.350 1.00 65.25 C ATOM 1056 OE1 GLU A 72 20.886 -23.269 -8.428 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.205 -22.514 -10.466 1.00 24.10 O1- ATOM 0 H GLU A 72 18.529 -19.973 -6.216 1.00 52.24 H new ATOM 0 HA GLU A 72 17.165 -20.265 -8.828 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.947 -22.139 -7.229 1.00 24.24 H new ATOM 0 HB3 GLU A 72 18.001 -22.660 -8.610 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.203 -21.049 -10.054 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.135 -20.498 -8.675 1.00 50.22 H new ATOM 1064 N ILE A 73 15.155 -21.365 -7.900 1.00 61.12 N ATOM 1065 CA ILE A 73 13.922 -21.913 -7.348 1.00 75.21 C ATOM 1066 C ILE A 73 13.498 -23.173 -8.094 1.00 61.50 C ATOM 1067 O ILE A 73 13.442 -23.189 -9.324 1.00 61.15 O ATOM 1068 CB ILE A 73 12.776 -20.886 -7.403 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.241 -19.540 -6.844 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.570 -21.397 -6.630 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.180 -18.463 -6.899 1.00 64.32 C ATOM 0 H ILE A 73 15.079 -21.046 -8.866 1.00 61.12 H new ATOM 0 HA ILE A 73 14.126 -22.162 -6.307 1.00 75.21 H new ATOM 0 HB ILE A 73 12.484 -20.745 -8.444 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.557 -19.675 -5.809 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.115 -19.206 -7.403 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.768 -20.660 -6.678 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.228 -22.335 -7.068 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.848 -21.563 -5.589 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.580 -17.537 -6.486 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.881 -18.300 -7.934 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.314 -18.776 -6.316 1.00 64.32 H new ATOM 1083 N ASP A 74 13.198 -24.226 -7.343 1.00 20.43 N ATOM 1084 CA ASP A 74 12.774 -25.491 -7.933 1.00 51.21 C ATOM 1085 C ASP A 74 11.253 -25.602 -7.944 1.00 25.22 C ATOM 1086 O ASP A 74 10.657 -26.210 -7.054 1.00 75.54 O ATOM 1087 CB ASP A 74 13.378 -26.666 -7.161 1.00 1.22 C ATOM 1088 CG ASP A 74 14.735 -27.075 -7.700 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.337 -26.284 -8.455 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.194 -28.187 -7.365 1.00 5.22 O ATOM 0 H ASP A 74 13.240 -24.229 -6.324 1.00 20.43 H new ATOM 0 HA ASP A 74 13.130 -25.521 -8.963 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.474 -26.395 -6.110 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.699 -27.517 -7.210 1.00 1.22 H new ATOM 1095 N THR A 75 10.629 -25.012 -8.959 1.00 25.23 N ATOM 1096 CA THR A 75 9.177 -25.043 -9.085 1.00 73.01 C ATOM 1097 C THR A 75 8.689 -26.433 -9.474 1.00 65.31 C ATOM 1098 O THR A 75 7.539 -26.793 -9.219 1.00 53.44 O ATOM 1099 CB THR A 75 8.683 -24.026 -10.132 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.933 -24.522 -11.452 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.374 -22.683 -9.950 1.00 30.20 C ATOM 0 H THR A 75 11.107 -24.507 -9.706 1.00 25.23 H new ATOM 0 HA THR A 75 8.769 -24.777 -8.110 1.00 73.01 H new ATOM 0 HB THR A 75 7.611 -23.887 -9.994 1.00 32.14 H new ATOM 0 HG1 THR A 75 8.180 -25.080 -11.740 1.00 31.11 H new ATOM 0 HG21 THR A 75 9.009 -21.981 -10.700 1.00 30.20 H new ATOM 0 HG22 THR A 75 9.158 -22.295 -8.955 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.451 -22.809 -10.064 1.00 30.20 H new ATOM 1109 N LYS A 76 9.570 -27.213 -10.092 1.00 33.31 N ATOM 1110 CA LYS A 76 9.229 -28.567 -10.515 1.00 53.53 C ATOM 1111 C LYS A 76 8.689 -29.382 -9.346 1.00 52.22 C ATOM 1112 O LYS A 76 7.895 -30.303 -9.533 1.00 33.40 O ATOM 1113 CB LYS A 76 10.456 -29.260 -11.112 1.00 42.11 C ATOM 1114 CG LYS A 76 11.624 -29.365 -10.147 1.00 35.11 C ATOM 1115 CD LYS A 76 11.653 -30.716 -9.451 1.00 64.45 C ATOM 1116 CE LYS A 76 12.488 -31.725 -10.224 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.409 -33.085 -9.625 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.525 -26.931 -10.311 1.00 33.31 H new ATOM 0 HA LYS A 76 8.452 -28.499 -11.276 1.00 53.53 H new ATOM 0 HB2 LYS A 76 10.174 -30.261 -11.439 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.776 -28.713 -11.999 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.558 -29.213 -10.687 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.554 -28.572 -9.402 1.00 35.11 H new ATOM 0 HD2 LYS A 76 12.059 -30.600 -8.446 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.636 -31.092 -9.342 1.00 64.45 H new ATOM 0 HE2 LYS A 76 12.146 -31.763 -11.258 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.527 -31.397 -10.244 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.991 -33.743 -10.181 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.759 -33.054 -8.646 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.421 -33.409 -9.629 1.00 11.00 H new ATOM 1131 N SER A 77 9.126 -29.037 -8.138 1.00 50.35 N ATOM 1132 CA SER A 77 8.687 -29.740 -6.937 1.00 24.21 C ATOM 1133 C SER A 77 7.303 -29.266 -6.505 1.00 74.33 C ATOM 1134 O SER A 77 6.537 -30.018 -5.902 1.00 24.13 O ATOM 1135 CB SER A 77 9.690 -29.527 -5.802 1.00 2.11 C ATOM 1136 OG SER A 77 10.994 -29.919 -6.193 1.00 64.04 O ATOM 0 H SER A 77 9.783 -28.276 -7.965 1.00 50.35 H new ATOM 0 HA SER A 77 8.631 -30.804 -7.168 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.695 -28.477 -5.509 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.382 -30.100 -4.928 1.00 2.11 H new ATOM 0 HG SER A 77 11.616 -29.771 -5.451 1.00 64.04 H new ATOM 1142 N TYR A 78 6.990 -28.014 -6.818 1.00 62.35 N ATOM 1143 CA TYR A 78 5.700 -27.437 -6.460 1.00 72.42 C ATOM 1144 C TYR A 78 4.639 -27.786 -7.500 1.00 51.41 C ATOM 1145 O TYR A 78 3.449 -27.852 -7.192 1.00 23.54 O ATOM 1146 CB TYR A 78 5.816 -25.917 -6.326 1.00 12.14 C ATOM 1147 CG TYR A 78 4.563 -25.258 -5.793 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.989 -25.676 -4.600 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.956 -24.217 -6.484 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.845 -25.078 -4.110 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.812 -23.611 -6.000 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.260 -24.046 -4.813 1.00 21.50 C ATOM 1153 OH TYR A 78 1.120 -23.446 -4.328 1.00 72.23 O ATOM 0 H TYR A 78 7.612 -27.379 -7.319 1.00 62.35 H new ATOM 0 HA TYR A 78 5.397 -27.858 -5.501 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.650 -25.682 -5.664 1.00 12.14 H new ATOM 0 HB3 TYR A 78 6.053 -25.492 -7.301 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.445 -26.483 -4.046 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.385 -23.876 -7.415 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.411 -25.417 -3.181 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.353 -22.802 -6.548 1.00 34.34 H new ATOM 0 HH TYR A 78 1.238 -22.473 -4.326 1.00 72.23 H new ATOM 1163 N TRP A 79 5.080 -28.010 -8.732 1.00 73.24 N ATOM 1164 CA TRP A 79 4.170 -28.355 -9.819 1.00 62.55 C ATOM 1165 C TRP A 79 3.793 -29.832 -9.766 1.00 11.32 C ATOM 1166 O TRP A 79 2.747 -30.234 -10.275 1.00 34.45 O ATOM 1167 CB TRP A 79 4.809 -28.027 -11.170 1.00 35.20 C ATOM 1168 CG TRP A 79 5.093 -26.567 -11.353 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.274 -26.006 -11.748 1.00 52.43 C ATOM 1170 CD2 TRP A 79 4.181 -25.483 -11.147 1.00 52.00 C ATOM 1171 NE1 TRP A 79 6.150 -24.638 -11.801 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.876 -24.293 -11.436 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.844 -25.403 -10.747 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 4.277 -23.040 -11.338 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 2.251 -24.158 -10.649 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.967 -22.990 -10.944 1.00 2.41 C ATOM 0 H TRP A 79 6.062 -27.959 -9.004 1.00 73.24 H new ATOM 0 HA TRP A 79 3.262 -27.763 -9.701 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.739 -28.586 -11.269 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.148 -28.364 -11.968 1.00 35.20 H new ATOM 0 HD1 TRP A 79 7.173 -26.556 -11.984 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.887 -23.986 -12.069 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.284 -26.298 -10.519 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.827 -22.139 -11.565 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 1.219 -24.084 -10.340 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.476 -22.032 -10.859 1.00 2.41 H new ATOM 1187 N LYS A 80 4.650 -30.635 -9.146 1.00 14.35 N ATOM 1188 CA LYS A 80 4.407 -32.067 -9.024 1.00 74.13 C ATOM 1189 C LYS A 80 3.429 -32.359 -7.890 1.00 72.35 C ATOM 1190 O LYS A 80 2.811 -33.422 -7.850 1.00 42.42 O ATOM 1191 CB LYS A 80 5.723 -32.811 -8.782 1.00 2.35 C ATOM 1192 CG LYS A 80 6.219 -32.716 -7.349 1.00 11.13 C ATOM 1193 CD LYS A 80 5.994 -34.015 -6.595 1.00 4.54 C ATOM 1194 CE LYS A 80 7.173 -34.965 -6.755 1.00 14.23 C ATOM 1195 NZ LYS A 80 6.980 -36.222 -5.982 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.521 -30.318 -8.719 1.00 14.35 H new ATOM 0 HA LYS A 80 3.967 -32.416 -9.958 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.591 -33.861 -9.043 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.486 -32.410 -9.449 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.281 -32.472 -7.346 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.703 -31.903 -6.838 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.839 -33.801 -5.538 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.086 -34.496 -6.959 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.306 -35.204 -7.810 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.086 -34.471 -6.423 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 7.804 -36.842 -6.117 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 6.878 -35.996 -4.972 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.123 -36.707 -6.316 1.00 15.12 H new ATOM 1209 N ALA A 81 3.294 -31.407 -6.973 1.00 25.24 N ATOM 1210 CA ALA A 81 2.389 -31.561 -5.841 1.00 60.14 C ATOM 1211 C ALA A 81 0.935 -31.595 -6.300 1.00 25.04 C ATOM 1212 O ALA A 81 0.115 -32.330 -5.748 1.00 75.40 O ATOM 1213 CB ALA A 81 2.602 -30.436 -4.838 1.00 62.23 C ATOM 0 H ALA A 81 3.800 -30.521 -6.992 1.00 25.24 H new ATOM 0 HA ALA A 81 2.612 -32.512 -5.357 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.920 -30.564 -3.998 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.630 -30.460 -4.477 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.409 -29.478 -5.320 1.00 62.23 H new ATOM 1219 N LEU A 82 0.621 -30.796 -7.314 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.735 -30.734 -7.849 1.00 42.14 C ATOM 1221 C LEU A 82 -0.812 -31.402 -9.217 1.00 63.11 C ATOM 1222 O LEU A 82 -1.881 -31.826 -9.653 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.198 -29.280 -7.951 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.093 -28.222 -7.940 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.776 -28.344 -9.181 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.693 -26.827 -7.842 1.00 52.23 C ATOM 0 H LEU A 82 1.287 -30.182 -7.782 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.393 -31.271 -7.166 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.773 -29.166 -8.870 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.877 -29.077 -7.123 1.00 1.31 H new ATOM 0 HG LEU A 82 0.535 -28.389 -7.065 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.556 -27.583 -9.155 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.234 -29.333 -9.209 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.162 -28.204 -10.070 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.107 -26.087 -7.835 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.344 -26.650 -8.698 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.272 -26.744 -6.922 1.00 52.23 H new ATOM 1238 N GLY A 83 0.332 -31.494 -9.891 1.00 74.15 N ATOM 1239 CA GLY A 83 0.372 -32.113 -11.203 1.00 24.44 C ATOM 1240 C GLY A 83 0.166 -31.113 -12.323 1.00 53.33 C ATOM 1241 O GLY A 83 -0.620 -31.352 -13.241 1.00 44.53 O ATOM 0 H GLY A 83 1.231 -31.151 -9.551 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.332 -32.611 -11.337 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.397 -32.883 -11.262 1.00 24.44 H new ATOM 1245 N ILE A 84 0.873 -29.990 -12.248 1.00 11.52 N ATOM 1246 CA ILE A 84 0.763 -28.950 -13.263 1.00 73.53 C ATOM 1247 C ILE A 84 1.749 -29.188 -14.403 1.00 73.31 C ATOM 1248 O ILE A 84 2.880 -29.615 -14.179 1.00 12.13 O ATOM 1249 CB ILE A 84 1.013 -27.552 -12.667 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.314 -26.828 -12.434 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.913 -26.738 -13.585 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.327 -27.654 -11.673 1.00 31.45 C ATOM 0 H ILE A 84 1.528 -29.778 -11.495 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.255 -28.994 -13.650 1.00 73.53 H new ATOM 0 HB ILE A 84 1.515 -27.667 -11.707 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.124 -25.905 -11.886 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.738 -26.545 -13.397 1.00 42.11 H new ATOM 0 HG21 ILE A 84 2.080 -25.753 -13.150 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.868 -27.249 -13.705 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.436 -26.629 -14.559 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.243 -27.078 -11.544 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.546 -28.565 -12.230 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.922 -27.915 -10.695 1.00 31.45 H new ATOM 1264 N SER A 85 1.310 -28.906 -15.625 1.00 52.21 N ATOM 1265 CA SER A 85 2.153 -29.091 -16.802 1.00 24.12 C ATOM 1266 C SER A 85 3.487 -28.372 -16.632 1.00 3.33 C ATOM 1267 O SER A 85 3.566 -27.143 -16.649 1.00 53.24 O ATOM 1268 CB SER A 85 1.438 -28.577 -18.053 1.00 54.52 C ATOM 1269 OG SER A 85 2.057 -29.067 -19.230 1.00 23.32 O ATOM 0 H SER A 85 0.376 -28.549 -15.827 1.00 52.21 H new ATOM 0 HA SER A 85 2.347 -30.157 -16.916 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.393 -28.886 -18.032 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.448 -27.487 -18.060 1.00 54.52 H new ATOM 0 HG SER A 85 1.581 -28.726 -20.016 1.00 23.32 H new ATOM 1275 N PRO A 86 4.563 -29.155 -16.465 1.00 42.12 N ATOM 1276 CA PRO A 86 5.915 -28.615 -16.290 1.00 71.24 C ATOM 1277 C PRO A 86 6.455 -27.978 -17.566 1.00 40.35 C ATOM 1278 O PRO A 86 7.066 -28.650 -18.395 1.00 12.43 O ATOM 1279 CB PRO A 86 6.743 -29.848 -15.916 1.00 45.12 C ATOM 1280 CG PRO A 86 6.000 -30.996 -16.505 1.00 24.31 C ATOM 1281 CD PRO A 86 4.544 -30.627 -16.435 1.00 65.12 C ATOM 0 HA PRO A 86 5.944 -27.822 -15.543 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.754 -29.783 -16.318 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.836 -29.949 -14.835 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.309 -31.173 -17.535 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.197 -31.914 -15.951 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.984 -31.039 -17.275 1.00 65.12 H new ATOM 0 HD3 PRO A 86 4.077 -31.004 -15.525 1.00 65.12 H new ATOM 1289 N MET A 87 6.225 -26.677 -17.716 1.00 43.33 N ATOM 1290 CA MET A 87 6.691 -25.950 -18.890 1.00 1.42 C ATOM 1291 C MET A 87 8.140 -25.506 -18.716 1.00 55.04 C ATOM 1292 O MET A 87 8.882 -25.379 -19.690 1.00 10.13 O ATOM 1293 CB MET A 87 5.800 -24.733 -19.150 1.00 20.04 C ATOM 1294 CG MET A 87 4.367 -25.095 -19.508 1.00 72.24 C ATOM 1295 SD MET A 87 3.600 -23.885 -20.603 1.00 22.31 S ATOM 1296 CE MET A 87 1.963 -24.588 -20.789 1.00 35.42 C ATOM 0 H MET A 87 5.719 -26.106 -17.039 1.00 43.33 H new ATOM 0 HA MET A 87 6.636 -26.621 -19.747 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.795 -24.100 -18.263 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.231 -24.144 -19.960 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.352 -26.074 -19.987 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.778 -25.178 -18.595 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.349 -23.924 -21.398 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.038 -25.561 -21.275 1.00 35.42 H new ATOM 0 HE3 MET A 87 1.504 -24.707 -19.807 1.00 35.42 H new ATOM 1306 N HIS A 88 8.535 -25.270 -17.469 1.00 0.52 N ATOM 1307 CA HIS A 88 9.896 -24.840 -17.168 1.00 51.21 C ATOM 1308 C HIS A 88 10.491 -25.671 -16.034 1.00 23.12 C ATOM 1309 O HIS A 88 9.780 -26.083 -15.117 1.00 50.35 O ATOM 1310 CB HIS A 88 9.914 -23.358 -16.794 1.00 24.12 C ATOM 1311 CG HIS A 88 10.017 -22.443 -17.975 1.00 62.11 C ATOM 1312 ND1 HIS A 88 11.171 -22.297 -18.716 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.100 -21.627 -18.545 1.00 20.22 C ATOM 1314 CE1 HIS A 88 10.959 -21.429 -19.689 1.00 21.10 C ATOM 1315 NE2 HIS A 88 9.710 -21.007 -19.607 1.00 3.14 N ATOM 0 H HIS A 88 7.933 -25.369 -16.652 1.00 0.52 H new ATOM 0 HA HIS A 88 10.503 -24.989 -18.061 1.00 51.21 H new ATOM 0 HB2 HIS A 88 9.006 -23.121 -16.239 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.754 -23.171 -16.125 1.00 24.12 H new ATOM 0 HD2 HIS A 88 8.078 -21.489 -18.224 1.00 20.22 H new ATOM 0 HE1 HIS A 88 11.684 -21.117 -20.426 1.00 21.10 H new ATOM 0 HE2 HIS A 88 9.270 -20.331 -20.231 1.00 3.14 H new ATOM 1323 N GLU A 89 11.796 -25.912 -16.103 1.00 53.32 N ATOM 1324 CA GLU A 89 12.483 -26.694 -15.083 1.00 13.34 C ATOM 1325 C GLU A 89 12.536 -25.936 -13.760 1.00 2.34 C ATOM 1326 O GLU A 89 11.846 -26.288 -12.802 1.00 33.31 O ATOM 1327 CB GLU A 89 13.901 -27.040 -15.543 1.00 13.54 C ATOM 1328 CG GLU A 89 13.991 -28.347 -16.313 1.00 22.51 C ATOM 1329 CD GLU A 89 14.187 -29.546 -15.406 1.00 44.10 C ATOM 1330 OE1 GLU A 89 13.375 -29.727 -14.475 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 15.155 -30.303 -15.627 1.00 63.34 O ATOM 0 H GLU A 89 12.399 -25.577 -16.855 1.00 53.32 H new ATOM 0 HA GLU A 89 11.923 -27.617 -14.931 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.277 -26.232 -16.171 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.553 -27.096 -14.671 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.081 -28.483 -16.898 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.819 -28.292 -17.020 1.00 22.51 H new ATOM 1338 N HIS A 90 13.360 -24.894 -13.714 1.00 12.33 N ATOM 1339 CA HIS A 90 13.503 -24.086 -12.509 1.00 64.04 C ATOM 1340 C HIS A 90 13.625 -22.605 -12.859 1.00 64.34 C ATOM 1341 O HIS A 90 13.868 -22.249 -14.012 1.00 61.10 O ATOM 1342 CB HIS A 90 14.728 -24.535 -11.711 1.00 14.33 C ATOM 1343 CG HIS A 90 15.955 -24.721 -12.550 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.637 -25.916 -12.628 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.619 -23.857 -13.351 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.671 -25.778 -13.439 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.681 -24.536 -13.891 1.00 64.31 N ATOM 0 H HIS A 90 13.938 -24.590 -14.497 1.00 12.33 H new ATOM 0 HA HIS A 90 12.610 -24.225 -11.900 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.936 -23.798 -10.936 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.498 -25.473 -11.205 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.361 -22.824 -13.532 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.386 -26.548 -13.690 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.367 -24.146 -14.537 1.00 64.31 H new ATOM 1355 N ALA A 91 13.454 -21.749 -11.857 1.00 30.43 N ATOM 1356 CA ALA A 91 13.547 -20.309 -12.059 1.00 4.31 C ATOM 1357 C ALA A 91 14.788 -19.737 -11.382 1.00 13.54 C ATOM 1358 O ALA A 91 14.932 -19.818 -10.162 1.00 55.12 O ATOM 1359 CB ALA A 91 12.294 -19.621 -11.537 1.00 53.12 C ATOM 0 H ALA A 91 13.250 -22.028 -10.897 1.00 30.43 H new ATOM 0 HA ALA A 91 13.632 -20.123 -13.130 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.377 -18.546 -11.694 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.422 -20.000 -12.070 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.184 -19.824 -10.472 1.00 53.12 H new ATOM 1365 N GLU A 92 15.681 -19.161 -12.181 1.00 71.53 N ATOM 1366 CA GLU A 92 16.910 -18.578 -11.656 1.00 22.11 C ATOM 1367 C GLU A 92 16.947 -17.073 -11.904 1.00 21.04 C ATOM 1368 O GLU A 92 16.723 -16.610 -13.023 1.00 35.42 O ATOM 1369 CB GLU A 92 18.129 -19.242 -12.298 1.00 20.12 C ATOM 1370 CG GLU A 92 18.037 -20.757 -12.360 1.00 3.34 C ATOM 1371 CD GLU A 92 19.391 -21.420 -12.521 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.396 -20.688 -12.643 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.446 -22.667 -12.527 1.00 1.44 O1- ATOM 0 H GLU A 92 15.576 -19.086 -13.193 1.00 71.53 H new ATOM 0 HA GLU A 92 16.935 -18.752 -10.580 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.254 -18.853 -13.308 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.021 -18.964 -11.737 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.563 -21.125 -11.450 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.395 -21.044 -13.193 1.00 3.34 H new ATOM 1380 N VAL A 93 17.231 -16.313 -10.851 1.00 13.33 N ATOM 1381 CA VAL A 93 17.298 -14.860 -10.953 1.00 70.50 C ATOM 1382 C VAL A 93 18.583 -14.324 -10.331 1.00 3.53 C ATOM 1383 O VAL A 93 19.091 -14.876 -9.356 1.00 12.13 O ATOM 1384 CB VAL A 93 16.092 -14.193 -10.266 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.110 -12.689 -10.496 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.790 -14.801 -10.766 1.00 45.53 C ATOM 0 H VAL A 93 17.418 -16.679 -9.918 1.00 13.33 H new ATOM 0 HA VAL A 93 17.282 -14.616 -12.015 1.00 70.50 H new ATOM 0 HB VAL A 93 16.162 -14.373 -9.193 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.250 -12.235 -10.003 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.028 -12.269 -10.084 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.065 -12.484 -11.566 1.00 23.41 H new ATOM 0 HG21 VAL A 93 13.949 -14.318 -10.270 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.710 -14.654 -11.843 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.778 -15.868 -10.544 1.00 45.53 H new ATOM 1396 N VAL A 94 19.106 -13.244 -10.904 1.00 2.22 N ATOM 1397 CA VAL A 94 20.332 -12.632 -10.406 1.00 2.02 C ATOM 1398 C VAL A 94 20.062 -11.239 -9.848 1.00 12.31 C ATOM 1399 O VAL A 94 19.474 -10.392 -10.520 1.00 50.11 O ATOM 1400 CB VAL A 94 21.398 -12.532 -11.513 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.666 -11.885 -10.976 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.696 -13.907 -12.091 1.00 30.43 C ATOM 0 H VAL A 94 18.699 -12.775 -11.713 1.00 2.22 H new ATOM 0 HA VAL A 94 20.706 -13.274 -9.608 1.00 2.02 H new ATOM 0 HB VAL A 94 21.008 -11.903 -12.313 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.408 -11.823 -11.772 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.438 -10.883 -10.614 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.062 -12.485 -10.157 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.451 -13.818 -12.872 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.066 -14.561 -11.302 1.00 30.43 H new ATOM 0 HG23 VAL A 94 20.785 -14.329 -12.514 1.00 30.43 H new ATOM 1412 N PHE A 95 20.497 -11.008 -8.614 1.00 1.21 N ATOM 1413 CA PHE A 95 20.303 -9.718 -7.964 1.00 71.43 C ATOM 1414 C PHE A 95 21.643 -9.073 -7.623 1.00 71.25 C ATOM 1415 O PHE A 95 22.442 -9.632 -6.871 1.00 40.21 O ATOM 1416 CB PHE A 95 19.466 -9.883 -6.693 1.00 71.11 C ATOM 1417 CG PHE A 95 18.204 -10.669 -6.905 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.223 -12.055 -6.883 1.00 51.32 C ATOM 1419 CD2 PHE A 95 16.998 -10.022 -7.126 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.063 -12.780 -7.076 1.00 43.10 C ATOM 1421 CE2 PHE A 95 15.835 -10.744 -7.320 1.00 42.40 C ATOM 1422 CZ PHE A 95 15.868 -12.124 -7.297 1.00 23.11 C ATOM 0 H PHE A 95 20.986 -11.698 -8.044 1.00 1.21 H new ATOM 0 HA PHE A 95 19.772 -9.067 -8.658 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.069 -10.378 -5.932 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.210 -8.897 -6.306 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.155 -12.574 -6.713 1.00 51.32 H new ATOM 0 HD2 PHE A 95 16.967 -8.943 -7.147 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.091 -13.859 -7.054 1.00 43.10 H new ATOM 0 HE2 PHE A 95 14.901 -10.229 -7.489 1.00 42.40 H new ATOM 0 HZ PHE A 95 14.961 -12.689 -7.452 1.00 23.11 H new ATOM 1432 N THR A 96 21.884 -7.891 -8.183 1.00 53.44 N ATOM 1433 CA THR A 96 23.128 -7.170 -7.941 1.00 53.12 C ATOM 1434 C THR A 96 22.999 -6.240 -6.740 1.00 30.54 C ATOM 1435 O THR A 96 22.055 -5.457 -6.648 1.00 64.13 O ATOM 1436 CB THR A 96 23.548 -6.346 -9.173 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.318 -7.099 -10.369 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.014 -5.955 -9.087 1.00 22.52 C ATOM 0 H THR A 96 21.234 -7.413 -8.807 1.00 53.44 H new ATOM 0 HA THR A 96 23.893 -7.919 -7.736 1.00 53.12 H new ATOM 0 HB THR A 96 22.947 -5.437 -9.197 1.00 32.55 H new ATOM 0 HG1 THR A 96 23.586 -6.567 -11.147 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.288 -5.374 -9.968 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.179 -5.356 -8.191 1.00 22.52 H new ATOM 0 HG23 THR A 96 25.628 -6.854 -9.040 1.00 22.52 H new ATOM 1446 N ALA A 97 23.955 -6.332 -5.822 1.00 62.01 N ATOM 1447 CA ALA A 97 23.950 -5.496 -4.628 1.00 43.35 C ATOM 1448 C ALA A 97 25.209 -4.638 -4.553 1.00 12.42 C ATOM 1449 O ALA A 97 26.224 -4.954 -5.172 1.00 52.21 O ATOM 1450 CB ALA A 97 23.822 -6.357 -3.381 1.00 10.43 C ATOM 0 H ALA A 97 24.743 -6.977 -5.882 1.00 62.01 H new ATOM 0 HA ALA A 97 23.090 -4.829 -4.686 1.00 43.35 H new ATOM 0 HB1 ALA A 97 23.820 -5.719 -2.497 1.00 10.43 H new ATOM 0 HB2 ALA A 97 22.891 -6.922 -3.423 1.00 10.43 H new ATOM 0 HB3 ALA A 97 24.664 -7.048 -3.328 1.00 10.43 H new ATOM 1456 N ASN A 98 25.135 -3.551 -3.791 1.00 22.42 N ATOM 1457 CA ASN A 98 26.268 -2.647 -3.637 1.00 70.24 C ATOM 1458 C ASN A 98 26.884 -2.779 -2.247 1.00 0.21 C ATOM 1459 O ASN A 98 26.387 -3.528 -1.405 1.00 44.32 O ATOM 1460 CB ASN A 98 25.831 -1.201 -3.878 1.00 53.32 C ATOM 1461 CG ASN A 98 26.945 -0.347 -4.452 1.00 65.42 C ATOM 1462 OD1 ASN A 98 27.738 0.237 -3.713 1.00 61.01 O ATOM 1463 ND2 ASN A 98 27.009 -0.272 -5.776 1.00 50.32 N ATOM 0 H ASN A 98 24.302 -3.275 -3.271 1.00 22.42 H new ATOM 0 HA ASN A 98 27.021 -2.919 -4.377 1.00 70.24 H new ATOM 0 HB2 ASN A 98 24.981 -1.190 -4.560 1.00 53.32 H new ATOM 0 HB3 ASN A 98 25.491 -0.766 -2.938 1.00 53.32 H new ATOM 0 HD21 ASN A 98 27.737 0.287 -6.221 1.00 50.32 H new ATOM 0 HD22 ASN A 98 26.330 -0.773 -6.349 1.00 50.32 H new ATOM 1470 N ASP A 99 27.967 -2.047 -2.014 1.00 15.12 N ATOM 1471 CA ASP A 99 28.651 -2.080 -0.726 1.00 4.24 C ATOM 1472 C ASP A 99 27.772 -1.486 0.371 1.00 73.21 C ATOM 1473 O ASP A 99 27.730 -1.995 1.490 1.00 53.11 O ATOM 1474 CB ASP A 99 29.974 -1.317 -0.805 1.00 62.12 C ATOM 1475 CG ASP A 99 29.774 0.160 -1.079 1.00 13.14 C ATOM 1476 OD1 ASP A 99 29.499 0.910 -0.119 1.00 55.13 O ATOM 1477 OD2 ASP A 99 29.892 0.568 -2.254 1.00 52.50 O1- ATOM 0 H ASP A 99 28.391 -1.423 -2.700 1.00 15.12 H new ATOM 0 HA ASP A 99 28.857 -3.122 -0.479 1.00 4.24 H new ATOM 0 HB2 ASP A 99 30.517 -1.440 0.132 1.00 62.12 H new ATOM 0 HB3 ASP A 99 30.593 -1.749 -1.591 1.00 62.12 H new ATOM 1482 N SER A 100 27.073 -0.405 0.041 1.00 64.11 N ATOM 1483 CA SER A 100 26.199 0.263 0.999 1.00 51.44 C ATOM 1484 C SER A 100 24.740 0.162 0.565 1.00 2.13 C ATOM 1485 O SER A 100 24.443 -0.025 -0.614 1.00 24.13 O ATOM 1486 CB SER A 100 26.598 1.732 1.149 1.00 72.33 C ATOM 1487 OG SER A 100 26.294 2.212 2.447 1.00 61.25 O ATOM 0 H SER A 100 27.095 0.027 -0.883 1.00 64.11 H new ATOM 0 HA SER A 100 26.309 -0.235 1.962 1.00 51.44 H new ATOM 0 HB2 SER A 100 27.665 1.844 0.957 1.00 72.33 H new ATOM 0 HB3 SER A 100 26.075 2.332 0.404 1.00 72.33 H new ATOM 0 HG SER A 100 26.560 3.153 2.519 1.00 61.25 H new ATOM 1493 N GLY A 101 23.831 0.288 1.528 1.00 42.21 N ATOM 1494 CA GLY A 101 22.414 0.210 1.227 1.00 53.22 C ATOM 1495 C GLY A 101 21.577 -0.095 2.453 1.00 10.13 C ATOM 1496 O GLY A 101 22.097 -0.393 3.528 1.00 41.01 O ATOM 0 H GLY A 101 24.052 0.443 2.512 1.00 42.21 H new ATOM 0 HA2 GLY A 101 22.086 1.154 0.792 1.00 53.22 H new ATOM 0 HA3 GLY A 101 22.247 -0.562 0.476 1.00 53.22 H new ATOM 1500 N PRO A 102 20.247 -0.020 2.299 1.00 72.31 N ATOM 1501 CA PRO A 102 19.307 -0.285 3.392 1.00 62.41 C ATOM 1502 C PRO A 102 19.277 -1.758 3.785 1.00 55.41 C ATOM 1503 O PRO A 102 20.067 -2.560 3.287 1.00 30.03 O ATOM 1504 CB PRO A 102 17.956 0.140 2.810 1.00 3.05 C ATOM 1505 CG PRO A 102 18.118 0.003 1.336 1.00 21.03 C ATOM 1506 CD PRO A 102 19.557 0.330 1.045 1.00 22.35 C ATOM 0 HA PRO A 102 19.581 0.248 4.303 1.00 62.41 H new ATOM 0 HB2 PRO A 102 17.149 -0.493 3.180 1.00 3.05 H new ATOM 0 HB3 PRO A 102 17.710 1.165 3.088 1.00 3.05 H new ATOM 0 HG2 PRO A 102 17.874 -1.008 1.009 1.00 21.03 H new ATOM 0 HG3 PRO A 102 17.449 0.680 0.805 1.00 21.03 H new ATOM 0 HD2 PRO A 102 19.938 -0.247 0.202 1.00 22.35 H new ATOM 0 HD3 PRO A 102 19.687 1.383 0.795 1.00 22.35 H new ATOM 1514 N ARG A 103 18.360 -2.108 4.682 1.00 52.42 N ATOM 1515 CA ARG A 103 18.228 -3.484 5.143 1.00 64.24 C ATOM 1516 C ARG A 103 16.759 -3.872 5.283 1.00 1.20 C ATOM 1517 O ARG A 103 15.867 -3.046 5.089 1.00 43.01 O ATOM 1518 CB ARG A 103 18.946 -3.667 6.482 1.00 21.14 C ATOM 1519 CG ARG A 103 19.572 -5.041 6.654 1.00 71.15 C ATOM 1520 CD ARG A 103 20.799 -4.986 7.551 1.00 40.02 C ATOM 1521 NE ARG A 103 20.446 -4.725 8.944 1.00 23.44 N ATOM 1522 CZ ARG A 103 21.330 -4.712 9.936 1.00 72.30 C ATOM 1523 NH1 ARG A 103 22.612 -4.944 9.689 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 20.932 -4.468 11.177 1.00 23.55 N ATOM 0 H ARG A 103 17.698 -1.457 5.104 1.00 52.42 H new ATOM 0 HA ARG A 103 18.688 -4.136 4.400 1.00 64.24 H new ATOM 0 HB2 ARG A 103 19.723 -2.909 6.574 1.00 21.14 H new ATOM 0 HB3 ARG A 103 18.236 -3.496 7.292 1.00 21.14 H new ATOM 0 HG2 ARG A 103 18.839 -5.725 7.080 1.00 71.15 H new ATOM 0 HG3 ARG A 103 19.851 -5.440 5.679 1.00 71.15 H new ATOM 0 HD2 ARG A 103 21.339 -5.930 7.485 1.00 40.02 H new ATOM 0 HD3 ARG A 103 21.473 -4.207 7.196 1.00 40.02 H new ATOM 0 HE ARG A 103 19.468 -4.543 9.168 1.00 23.44 H new ATOM 0 HH11 ARG A 103 22.922 -5.133 8.736 1.00 12.31 H new ATOM 0 HH12 ARG A 103 23.288 -4.933 10.452 1.00 12.31 H new ATOM 0 HH21 ARG A 103 19.947 -4.290 11.371 1.00 23.55 H new ATOM 0 HH22 ARG A 103 21.611 -4.458 11.938 1.00 23.55 H new ATOM 1538 N ARG A 104 16.515 -5.134 5.622 1.00 42.23 N ATOM 1539 CA ARG A 104 15.154 -5.632 5.785 1.00 3.34 C ATOM 1540 C ARG A 104 14.386 -5.557 4.470 1.00 11.24 C ATOM 1541 O ARG A 104 13.239 -5.110 4.434 1.00 3.33 O ATOM 1542 CB ARG A 104 14.422 -4.830 6.864 1.00 1.21 C ATOM 1543 CG ARG A 104 13.182 -5.524 7.402 1.00 52.32 C ATOM 1544 CD ARG A 104 12.861 -5.073 8.818 1.00 23.35 C ATOM 1545 NE ARG A 104 13.666 -5.776 9.812 1.00 23.43 N ATOM 1546 CZ ARG A 104 13.550 -5.584 11.121 1.00 61.22 C ATOM 1547 NH1 ARG A 104 12.664 -4.717 11.591 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 14.319 -6.262 11.964 1.00 61.40 N ATOM 0 H ARG A 104 17.242 -5.830 5.789 1.00 42.23 H new ATOM 0 HA ARG A 104 15.210 -6.676 6.093 1.00 3.34 H new ATOM 0 HB2 ARG A 104 15.107 -4.638 7.689 1.00 1.21 H new ATOM 0 HB3 ARG A 104 14.137 -3.861 6.454 1.00 1.21 H new ATOM 0 HG2 ARG A 104 12.334 -5.313 6.751 1.00 52.32 H new ATOM 0 HG3 ARG A 104 13.333 -6.603 7.388 1.00 52.32 H new ATOM 0 HD2 ARG A 104 13.034 -4.000 8.905 1.00 23.35 H new ATOM 0 HD3 ARG A 104 11.804 -5.243 9.022 1.00 23.35 H new ATOM 0 HE ARG A 104 14.356 -6.452 9.483 1.00 23.43 H new ATOM 0 HH11 ARG A 104 12.069 -4.196 10.947 1.00 21.23 H new ATOM 0 HH12 ARG A 104 12.577 -4.571 12.597 1.00 21.23 H new ATOM 0 HH21 ARG A 104 15.000 -6.932 11.607 1.00 61.40 H new ATOM 0 HH22 ARG A 104 14.229 -6.113 12.969 1.00 61.40 H new ATOM 1562 N TYR A 105 15.024 -5.997 3.392 1.00 64.52 N ATOM 1563 CA TYR A 105 14.401 -5.976 2.074 1.00 43.23 C ATOM 1564 C TYR A 105 13.820 -7.343 1.724 1.00 12.34 C ATOM 1565 O TYR A 105 14.347 -8.378 2.135 1.00 73.32 O ATOM 1566 CB TYR A 105 15.419 -5.556 1.012 1.00 4.01 C ATOM 1567 CG TYR A 105 15.417 -4.071 0.725 1.00 12.10 C ATOM 1568 CD1 TYR A 105 15.418 -3.143 1.759 1.00 32.04 C ATOM 1569 CD2 TYR A 105 15.413 -3.596 -0.581 1.00 71.31 C ATOM 1570 CE1 TYR A 105 15.415 -1.786 1.501 1.00 72.42 C ATOM 1571 CE2 TYR A 105 15.411 -2.241 -0.848 1.00 24.24 C ATOM 1572 CZ TYR A 105 15.411 -1.340 0.196 1.00 22.41 C ATOM 1573 OH TYR A 105 15.409 0.011 -0.065 1.00 41.31 O ATOM 0 H TYR A 105 15.972 -6.373 3.405 1.00 64.52 H new ATOM 0 HA TYR A 105 13.588 -5.250 2.096 1.00 43.23 H new ATOM 0 HB2 TYR A 105 16.416 -5.853 1.338 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.212 -6.096 0.088 1.00 4.01 H new ATOM 0 HD1 TYR A 105 15.421 -3.489 2.782 1.00 32.04 H new ATOM 0 HD2 TYR A 105 15.411 -4.299 -1.401 1.00 71.31 H new ATOM 0 HE1 TYR A 105 15.416 -1.078 2.317 1.00 72.42 H new ATOM 0 HE2 TYR A 105 15.409 -1.889 -1.869 1.00 24.24 H new ATOM 0 HH TYR A 105 15.171 0.501 0.749 1.00 41.31 H new ATOM 1583 N THR A 106 12.732 -7.339 0.962 1.00 61.33 N ATOM 1584 CA THR A 106 12.078 -8.577 0.557 1.00 12.11 C ATOM 1585 C THR A 106 11.761 -8.569 -0.934 1.00 32.31 C ATOM 1586 O THR A 106 11.380 -7.539 -1.492 1.00 11.53 O ATOM 1587 CB THR A 106 10.775 -8.809 1.345 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.063 -8.920 2.743 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.070 -10.069 0.866 1.00 20.22 C ATOM 0 H THR A 106 12.284 -6.492 0.612 1.00 61.33 H new ATOM 0 HA THR A 106 12.774 -9.387 0.774 1.00 12.11 H new ATOM 0 HB THR A 106 10.117 -7.957 1.176 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.689 -9.758 3.088 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.153 -10.212 1.437 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.827 -9.970 -0.192 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.724 -10.929 1.009 1.00 20.22 H new ATOM 1597 N ILE A 107 11.920 -9.723 -1.575 1.00 71.42 N ATOM 1598 CA ILE A 107 11.648 -9.847 -3.001 1.00 74.04 C ATOM 1599 C ILE A 107 10.449 -10.754 -3.256 1.00 33.14 C ATOM 1600 O ILE A 107 10.454 -11.925 -2.881 1.00 43.14 O ATOM 1601 CB ILE A 107 12.869 -10.403 -3.761 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.086 -9.503 -3.542 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.557 -10.532 -5.244 1.00 32.41 C ATOM 1604 CD1 ILE A 107 13.871 -8.076 -3.995 1.00 2.32 C ATOM 0 H ILE A 107 12.236 -10.584 -1.129 1.00 71.42 H new ATOM 0 HA ILE A 107 11.427 -8.845 -3.368 1.00 74.04 H new ATOM 0 HB ILE A 107 13.100 -11.395 -3.372 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.343 -9.505 -2.483 1.00 62.44 H new ATOM 0 HG13 ILE A 107 14.938 -9.921 -4.078 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.429 -10.926 -5.766 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.715 -11.210 -5.381 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.303 -9.552 -5.649 1.00 32.41 H new ATOM 0 HD11 ILE A 107 14.775 -7.495 -3.809 1.00 2.32 H new ATOM 0 HD12 ILE A 107 13.644 -8.063 -5.061 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.039 -7.640 -3.441 1.00 2.32 H new ATOM 1616 N ALA A 108 9.423 -10.203 -3.897 1.00 44.40 N ATOM 1617 CA ALA A 108 8.218 -10.962 -4.206 1.00 61.41 C ATOM 1618 C ALA A 108 8.302 -11.583 -5.595 1.00 62.14 C ATOM 1619 O ALA A 108 8.263 -10.879 -6.604 1.00 70.45 O ATOM 1620 CB ALA A 108 6.990 -10.072 -4.096 1.00 74.04 C ATOM 0 H ALA A 108 9.403 -9.233 -4.212 1.00 44.40 H new ATOM 0 HA ALA A 108 8.132 -11.771 -3.480 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.098 -10.653 -4.330 1.00 74.04 H new ATOM 0 HB2 ALA A 108 6.913 -9.681 -3.081 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.077 -9.243 -4.798 1.00 74.04 H new ATOM 1626 N ALA A 109 8.416 -12.907 -5.641 1.00 63.14 N ATOM 1627 CA ALA A 109 8.504 -13.623 -6.908 1.00 74.21 C ATOM 1628 C ALA A 109 7.205 -14.361 -7.212 1.00 35.54 C ATOM 1629 O ALA A 109 6.540 -14.865 -6.308 1.00 62.10 O ATOM 1630 CB ALA A 109 9.673 -14.596 -6.885 1.00 25.13 C ATOM 0 H ALA A 109 8.450 -13.505 -4.815 1.00 63.14 H new ATOM 0 HA ALA A 109 8.670 -12.892 -7.699 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.726 -15.123 -7.837 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.600 -14.047 -6.722 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.531 -15.316 -6.079 1.00 25.13 H new ATOM 1636 N MET A 110 6.849 -14.421 -8.491 1.00 70.32 N ATOM 1637 CA MET A 110 5.629 -15.098 -8.913 1.00 45.12 C ATOM 1638 C MET A 110 5.941 -16.206 -9.914 1.00 15.33 C ATOM 1639 O MET A 110 6.714 -16.009 -10.853 1.00 41.41 O ATOM 1640 CB MET A 110 4.651 -14.096 -9.532 1.00 74.03 C ATOM 1641 CG MET A 110 3.917 -13.250 -8.506 1.00 13.10 C ATOM 1642 SD MET A 110 2.214 -12.898 -8.984 1.00 31.04 S ATOM 1643 CE MET A 110 1.316 -13.885 -7.790 1.00 0.14 C ATOM 0 H MET A 110 7.388 -14.009 -9.253 1.00 70.32 H new ATOM 0 HA MET A 110 5.169 -15.546 -8.032 1.00 45.12 H new ATOM 0 HB2 MET A 110 5.197 -13.439 -10.209 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.921 -14.638 -10.133 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.921 -13.766 -7.546 1.00 13.10 H new ATOM 0 HG3 MET A 110 4.452 -12.311 -8.366 1.00 13.10 H new ATOM 0 HE1 MET A 110 0.253 -13.872 -8.033 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.682 -14.911 -7.818 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.465 -13.473 -6.792 1.00 0.14 H new ATOM 1653 N LEU A 111 5.336 -17.371 -9.708 1.00 31.10 N ATOM 1654 CA LEU A 111 5.549 -18.511 -10.592 1.00 3.04 C ATOM 1655 C LEU A 111 4.437 -18.611 -11.632 1.00 63.32 C ATOM 1656 O LEU A 111 3.269 -18.794 -11.290 1.00 10.01 O ATOM 1657 CB LEU A 111 5.621 -19.805 -9.780 1.00 34.42 C ATOM 1658 CG LEU A 111 7.019 -20.251 -9.351 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.851 -19.055 -8.917 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.932 -21.277 -8.230 1.00 11.55 C ATOM 0 H LEU A 111 4.694 -17.551 -8.936 1.00 31.10 H new ATOM 0 HA LEU A 111 6.495 -18.363 -11.113 1.00 3.04 H new ATOM 0 HB2 LEU A 111 5.010 -19.684 -8.886 1.00 34.42 H new ATOM 0 HB3 LEU A 111 5.171 -20.605 -10.368 1.00 34.42 H new ATOM 0 HG LEU A 111 7.508 -20.717 -10.206 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.843 -19.392 -8.615 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.943 -18.355 -9.747 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.365 -18.559 -8.077 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.937 -21.583 -7.938 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.423 -20.837 -7.373 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.374 -22.147 -8.576 1.00 11.55 H new ATOM 1672 N SER A 112 4.808 -18.491 -12.902 1.00 73.51 N ATOM 1673 CA SER A 112 3.841 -18.565 -13.991 1.00 51.32 C ATOM 1674 C SER A 112 4.412 -19.346 -15.172 1.00 24.21 C ATOM 1675 O SER A 112 5.131 -18.808 -16.015 1.00 14.52 O ATOM 1676 CB SER A 112 3.439 -17.160 -14.441 1.00 2.41 C ATOM 1677 OG SER A 112 4.572 -16.408 -14.843 1.00 5.42 O ATOM 0 H SER A 112 5.771 -18.342 -13.203 1.00 73.51 H new ATOM 0 HA SER A 112 2.957 -19.088 -13.625 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.732 -17.228 -15.268 1.00 2.41 H new ATOM 0 HB3 SER A 112 2.928 -16.646 -13.627 1.00 2.41 H new ATOM 0 HG SER A 112 5.114 -16.939 -15.463 1.00 5.42 H new ATOM 1683 N PRO A 113 4.085 -20.645 -15.235 1.00 54.43 N ATOM 1684 CA PRO A 113 4.553 -21.528 -16.307 1.00 23.13 C ATOM 1685 C PRO A 113 3.911 -21.201 -17.650 1.00 42.52 C ATOM 1686 O PRO A 113 4.565 -21.249 -18.691 1.00 32.13 O ATOM 1687 CB PRO A 113 4.124 -22.919 -15.833 1.00 11.42 C ATOM 1688 CG PRO A 113 2.964 -22.671 -14.932 1.00 14.31 C ATOM 1689 CD PRO A 113 3.233 -21.351 -14.264 1.00 11.21 C ATOM 0 HA PRO A 113 5.626 -21.432 -16.475 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.844 -23.555 -16.673 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.933 -23.425 -15.306 1.00 11.42 H new ATOM 0 HG2 PRO A 113 2.032 -22.640 -15.496 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.865 -23.468 -14.195 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.310 -20.805 -14.067 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.737 -21.481 -13.306 1.00 11.21 H new ATOM 1697 N TYR A 114 2.626 -20.867 -17.619 1.00 23.21 N ATOM 1698 CA TYR A 114 1.893 -20.533 -18.836 1.00 4.41 C ATOM 1699 C TYR A 114 2.315 -19.166 -19.367 1.00 5.12 C ATOM 1700 O TYR A 114 2.106 -18.853 -20.539 1.00 62.34 O ATOM 1701 CB TYR A 114 0.387 -20.547 -18.569 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.077 -21.750 -17.779 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.374 -22.949 -18.413 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.218 -21.685 -16.398 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.800 -24.050 -17.695 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.640 -22.782 -15.672 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.931 -23.962 -16.325 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.353 -25.057 -15.606 1.00 44.10 O ATOM 0 H TYR A 114 2.070 -20.820 -16.765 1.00 23.21 H new ATOM 0 HA TYR A 114 2.128 -21.284 -19.590 1.00 4.41 H new ATOM 0 HB2 TYR A 114 0.114 -19.641 -18.029 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.143 -20.522 -19.521 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.270 -23.022 -19.486 1.00 54.30 H new ATOM 0 HD2 TYR A 114 0.006 -20.762 -15.884 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -1.029 -24.975 -18.204 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.742 -22.716 -14.599 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.391 -24.828 -14.654 1.00 44.10 H new ATOM 1718 N SER A 115 2.909 -18.357 -18.496 1.00 54.30 N ATOM 1719 CA SER A 115 3.357 -17.023 -18.875 1.00 50.32 C ATOM 1720 C SER A 115 4.866 -17.001 -19.104 1.00 24.11 C ATOM 1721 O SER A 115 5.535 -18.030 -19.003 1.00 43.12 O ATOM 1722 CB SER A 115 2.980 -16.008 -17.794 1.00 73.32 C ATOM 1723 OG SER A 115 1.580 -15.993 -17.576 1.00 23.24 O ATOM 0 H SER A 115 3.091 -18.602 -17.523 1.00 54.30 H new ATOM 0 HA SER A 115 2.861 -16.752 -19.807 1.00 50.32 H new ATOM 0 HB2 SER A 115 3.494 -16.254 -16.865 1.00 73.32 H new ATOM 0 HB3 SER A 115 3.316 -15.014 -18.090 1.00 73.32 H new ATOM 0 HG SER A 115 1.364 -15.338 -16.880 1.00 23.24 H new ATOM 1729 N TYR A 116 5.394 -15.822 -19.414 1.00 51.11 N ATOM 1730 CA TYR A 116 6.822 -15.666 -19.660 1.00 44.22 C ATOM 1731 C TYR A 116 7.595 -15.575 -18.348 1.00 31.31 C ATOM 1732 O TYR A 116 8.651 -16.188 -18.193 1.00 23.43 O ATOM 1733 CB TYR A 116 7.081 -14.417 -20.505 1.00 65.40 C ATOM 1734 CG TYR A 116 6.318 -13.200 -20.035 1.00 71.35 C ATOM 1735 CD1 TYR A 116 6.829 -12.375 -19.040 1.00 61.42 C ATOM 1736 CD2 TYR A 116 5.086 -12.872 -20.588 1.00 11.14 C ATOM 1737 CE1 TYR A 116 6.134 -11.262 -18.608 1.00 43.15 C ATOM 1738 CE2 TYR A 116 4.385 -11.760 -20.163 1.00 2.33 C ATOM 1739 CZ TYR A 116 4.913 -10.959 -19.172 1.00 73.22 C ATOM 1740 OH TYR A 116 4.219 -9.850 -18.745 1.00 0.32 O ATOM 0 H TYR A 116 4.854 -14.961 -19.501 1.00 51.11 H new ATOM 0 HA TYR A 116 7.169 -16.544 -20.204 1.00 44.22 H new ATOM 0 HB2 TYR A 116 8.148 -14.194 -20.492 1.00 65.40 H new ATOM 0 HB3 TYR A 116 6.812 -14.627 -21.540 1.00 65.40 H new ATOM 0 HD1 TYR A 116 7.786 -12.608 -18.597 1.00 61.42 H new ATOM 0 HD2 TYR A 116 4.669 -13.497 -21.364 1.00 11.14 H new ATOM 0 HE1 TYR A 116 6.545 -10.633 -17.833 1.00 43.15 H new ATOM 0 HE2 TYR A 116 3.429 -11.519 -20.604 1.00 2.33 H new ATOM 0 HH TYR A 116 3.379 -9.778 -19.244 1.00 0.32 H new ATOM 1750 N SER A 117 7.059 -14.806 -17.406 1.00 62.40 N ATOM 1751 CA SER A 117 7.697 -14.632 -16.106 1.00 41.11 C ATOM 1752 C SER A 117 7.010 -13.530 -15.306 1.00 1.43 C ATOM 1753 O SER A 117 6.314 -12.681 -15.865 1.00 74.14 O ATOM 1754 CB SER A 117 9.181 -14.300 -16.284 1.00 43.31 C ATOM 1755 OG SER A 117 9.604 -13.336 -15.336 1.00 60.44 O ATOM 0 H SER A 117 6.184 -14.293 -17.518 1.00 62.40 H new ATOM 0 HA SER A 117 7.604 -15.568 -15.555 1.00 41.11 H new ATOM 0 HB2 SER A 117 9.776 -15.207 -16.175 1.00 43.31 H new ATOM 0 HB3 SER A 117 9.355 -13.924 -17.292 1.00 43.31 H new ATOM 0 HG SER A 117 10.555 -13.142 -15.469 1.00 60.44 H new ATOM 1761 N THR A 118 7.210 -13.547 -13.992 1.00 44.23 N ATOM 1762 CA THR A 118 6.611 -12.552 -13.113 1.00 62.12 C ATOM 1763 C THR A 118 7.393 -12.424 -11.812 1.00 51.22 C ATOM 1764 O THR A 118 7.411 -13.344 -10.994 1.00 52.03 O ATOM 1765 CB THR A 118 5.146 -12.902 -12.786 1.00 41.11 C ATOM 1766 OG1 THR A 118 5.003 -14.317 -12.629 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.215 -12.411 -13.885 1.00 30.23 C ATOM 0 H THR A 118 7.784 -14.241 -13.513 1.00 44.23 H new ATOM 0 HA THR A 118 6.641 -11.601 -13.645 1.00 62.12 H new ATOM 0 HB THR A 118 4.876 -12.406 -11.854 1.00 41.11 H new ATOM 0 HG1 THR A 118 4.861 -14.731 -13.506 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.186 -12.669 -13.633 1.00 30.23 H new ATOM 0 HG22 THR A 118 4.304 -11.329 -13.981 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.486 -12.883 -14.829 1.00 30.23 H new ATOM 1775 N MET A 119 8.040 -11.278 -11.625 1.00 51.10 N ATOM 1776 CA MET A 119 8.823 -11.029 -10.421 1.00 43.42 C ATOM 1777 C MET A 119 8.735 -9.563 -10.008 1.00 2.14 C ATOM 1778 O MET A 119 8.461 -8.693 -10.832 1.00 61.44 O ATOM 1779 CB MET A 119 10.285 -11.421 -10.647 1.00 20.41 C ATOM 1780 CG MET A 119 10.959 -11.995 -9.412 1.00 61.24 C ATOM 1781 SD MET A 119 11.620 -13.649 -9.686 1.00 43.35 S ATOM 1782 CE MET A 119 12.701 -13.822 -8.268 1.00 1.53 C ATOM 0 H MET A 119 8.037 -10.507 -12.293 1.00 51.10 H new ATOM 0 HA MET A 119 8.411 -11.639 -9.617 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.336 -12.154 -11.452 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.840 -10.544 -10.979 1.00 20.41 H new ATOM 0 HG2 MET A 119 11.767 -11.332 -9.103 1.00 61.24 H new ATOM 0 HG3 MET A 119 10.241 -12.026 -8.593 1.00 61.24 H new ATOM 0 HE1 MET A 119 12.598 -14.824 -7.852 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.734 -13.662 -8.576 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.430 -13.086 -7.512 1.00 1.53 H new ATOM 1792 N ALA A 120 8.971 -9.299 -8.727 1.00 51.45 N ATOM 1793 CA ALA A 120 8.919 -7.938 -8.206 1.00 71.34 C ATOM 1794 C ALA A 120 10.160 -7.621 -7.378 1.00 72.32 C ATOM 1795 O ALA A 120 10.369 -8.194 -6.309 1.00 32.22 O ATOM 1796 CB ALA A 120 7.662 -7.739 -7.373 1.00 12.35 C ATOM 0 H ALA A 120 9.200 -10.009 -8.031 1.00 51.45 H new ATOM 0 HA ALA A 120 8.893 -7.252 -9.052 1.00 71.34 H new ATOM 0 HB1 ALA A 120 7.637 -6.719 -6.991 1.00 12.35 H new ATOM 0 HB2 ALA A 120 6.783 -7.916 -7.993 1.00 12.35 H new ATOM 0 HB3 ALA A 120 7.664 -8.439 -6.538 1.00 12.35 H new ATOM 1802 N VAL A 121 10.982 -6.705 -7.880 1.00 53.02 N ATOM 1803 CA VAL A 121 12.203 -6.311 -7.186 1.00 21.22 C ATOM 1804 C VAL A 121 12.104 -4.880 -6.670 1.00 45.24 C ATOM 1805 O VAL A 121 11.465 -4.028 -7.288 1.00 55.42 O ATOM 1806 CB VAL A 121 13.434 -6.430 -8.105 1.00 74.22 C ATOM 1807 CG1 VAL A 121 14.714 -6.210 -7.314 1.00 73.31 C ATOM 1808 CG2 VAL A 121 13.451 -7.784 -8.798 1.00 33.42 C ATOM 0 H VAL A 121 10.825 -6.222 -8.764 1.00 53.02 H new ATOM 0 HA VAL A 121 12.322 -6.991 -6.342 1.00 21.22 H new ATOM 0 HB VAL A 121 13.372 -5.656 -8.870 1.00 74.22 H new ATOM 0 HG11 VAL A 121 15.573 -6.298 -7.980 1.00 73.31 H new ATOM 0 HG12 VAL A 121 14.700 -5.215 -6.869 1.00 73.31 H new ATOM 0 HG13 VAL A 121 14.788 -6.959 -6.526 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.327 -7.851 -9.443 1.00 33.42 H new ATOM 0 HG22 VAL A 121 13.490 -8.575 -8.049 1.00 33.42 H new ATOM 0 HG23 VAL A 121 12.548 -7.897 -9.399 1.00 33.42 H new ATOM 1818 N VAL A 122 12.741 -4.622 -5.532 1.00 24.04 N ATOM 1819 CA VAL A 122 12.727 -3.293 -4.933 1.00 52.24 C ATOM 1820 C VAL A 122 14.129 -2.697 -4.884 1.00 2.02 C ATOM 1821 O VAL A 122 15.038 -3.267 -4.279 1.00 64.54 O ATOM 1822 CB VAL A 122 12.145 -3.327 -3.507 1.00 41.24 C ATOM 1823 CG1 VAL A 122 11.957 -1.915 -2.973 1.00 71.54 C ATOM 1824 CG2 VAL A 122 10.832 -4.093 -3.486 1.00 53.13 C ATOM 0 H VAL A 122 13.273 -5.316 -5.007 1.00 24.04 H new ATOM 0 HA VAL A 122 12.092 -2.669 -5.562 1.00 52.24 H new ATOM 0 HB VAL A 122 12.851 -3.844 -2.857 1.00 41.24 H new ATOM 0 HG11 VAL A 122 11.545 -1.959 -1.965 1.00 71.54 H new ATOM 0 HG12 VAL A 122 12.919 -1.404 -2.950 1.00 71.54 H new ATOM 0 HG13 VAL A 122 11.272 -1.369 -3.621 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.435 -4.107 -2.471 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.116 -3.607 -4.149 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.002 -5.115 -3.823 1.00 53.13 H new ATOM 1834 N THR A 123 14.299 -1.545 -5.525 1.00 65.41 N ATOM 1835 CA THR A 123 15.591 -0.871 -5.556 1.00 45.23 C ATOM 1836 C THR A 123 15.726 0.113 -4.399 1.00 73.22 C ATOM 1837 O THR A 123 14.730 0.622 -3.885 1.00 50.41 O ATOM 1838 CB THR A 123 15.800 -0.116 -6.882 1.00 11.34 C ATOM 1839 OG1 THR A 123 14.906 1.000 -6.957 1.00 23.43 O ATOM 1840 CG2 THR A 123 15.568 -1.037 -8.071 1.00 1.51 C ATOM 0 H THR A 123 13.558 -1.059 -6.030 1.00 65.41 H new ATOM 0 HA THR A 123 16.353 -1.645 -5.463 1.00 45.23 H new ATOM 0 HB THR A 123 16.830 0.241 -6.913 1.00 11.34 H new ATOM 0 HG1 THR A 123 15.047 1.476 -7.802 1.00 23.43 H new ATOM 0 HG21 THR A 123 15.721 -0.482 -8.997 1.00 1.51 H new ATOM 0 HG22 THR A 123 16.269 -1.871 -8.028 1.00 1.51 H new ATOM 0 HG23 THR A 123 14.548 -1.419 -8.042 1.00 1.51 H new ATOM 1848 N ASN A 124 16.964 0.375 -3.993 1.00 2.14 N ATOM 1849 CA ASN A 124 17.229 1.299 -2.895 1.00 14.35 C ATOM 1850 C ASN A 124 17.663 2.662 -3.424 1.00 21.24 C ATOM 1851 O ASN A 124 18.140 2.795 -4.551 1.00 34.35 O ATOM 1852 CB ASN A 124 18.308 0.730 -1.972 1.00 43.11 C ATOM 1853 CG ASN A 124 19.442 0.077 -2.741 1.00 33.41 C ATOM 1854 OD1 ASN A 124 20.005 0.671 -3.660 1.00 65.11 O ATOM 1855 ND2 ASN A 124 19.781 -1.150 -2.365 1.00 53.22 N ATOM 0 H ASN A 124 17.799 -0.039 -4.407 1.00 2.14 H new ATOM 0 HA ASN A 124 16.306 1.426 -2.329 1.00 14.35 H new ATOM 0 HB2 ASN A 124 18.708 1.530 -1.349 1.00 43.11 H new ATOM 0 HB3 ASN A 124 17.859 -0.002 -1.301 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.537 -1.640 -2.844 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.286 -1.603 -1.597 1.00 53.22 H new ATOM 1862 N PRO A 125 17.495 3.700 -2.591 1.00 1.24 N ATOM 1863 CA PRO A 125 17.863 5.072 -2.953 1.00 4.12 C ATOM 1864 C PRO A 125 19.373 5.262 -3.042 1.00 22.32 C ATOM 1865 O PRO A 125 20.069 5.278 -2.025 1.00 40.34 O ATOM 1866 CB PRO A 125 17.285 5.908 -1.808 1.00 23.43 C ATOM 1867 CG PRO A 125 17.218 4.971 -0.651 1.00 21.31 C ATOM 1868 CD PRO A 125 16.932 3.614 -1.234 1.00 10.43 C ATOM 0 HA PRO A 125 17.483 5.350 -3.936 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.919 6.767 -1.586 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.298 6.297 -2.060 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.156 4.968 -0.096 1.00 21.31 H new ATOM 0 HG3 PRO A 125 16.436 5.269 0.048 1.00 21.31 H new ATOM 0 HD2 PRO A 125 17.402 2.820 -0.654 1.00 10.43 H new ATOM 0 HD3 PRO A 125 15.863 3.403 -1.255 1.00 10.43 H new ATOM 1876 N LYS A 126 19.876 5.407 -4.262 1.00 1.50 N ATOM 1877 CA LYS A 126 21.305 5.598 -4.485 1.00 65.42 C ATOM 1878 C LYS A 126 21.739 6.997 -4.060 1.00 33.33 C ATOM 1879 O LYS A 126 22.844 7.186 -3.552 1.00 12.21 O ATOM 1880 CB LYS A 126 21.647 5.372 -5.960 1.00 4.33 C ATOM 1881 CG LYS A 126 20.881 6.277 -6.908 1.00 21.32 C ATOM 1882 CD LYS A 126 21.639 7.564 -7.184 1.00 73.25 C ATOM 1883 CE LYS A 126 22.393 7.496 -8.503 1.00 21.43 C ATOM 1884 NZ LYS A 126 21.471 7.549 -9.672 1.00 72.12 N1+ ATOM 0 H LYS A 126 19.315 5.396 -5.114 1.00 1.50 H new ATOM 0 HA LYS A 126 21.843 4.870 -3.878 1.00 65.42 H new ATOM 0 HB2 LYS A 126 22.716 5.530 -6.105 1.00 4.33 H new ATOM 0 HB3 LYS A 126 21.441 4.333 -6.217 1.00 4.33 H new ATOM 0 HG2 LYS A 126 20.699 5.752 -7.846 1.00 21.32 H new ATOM 0 HG3 LYS A 126 19.906 6.512 -6.480 1.00 21.32 H new ATOM 0 HD2 LYS A 126 20.941 8.401 -7.206 1.00 73.25 H new ATOM 0 HD3 LYS A 126 22.341 7.755 -6.372 1.00 73.25 H new ATOM 0 HE2 LYS A 126 23.100 8.324 -8.560 1.00 21.43 H new ATOM 0 HE3 LYS A 126 22.976 6.576 -8.541 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 22.010 7.789 -10.529 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 21.016 6.622 -9.797 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 20.743 8.273 -9.507 1.00 72.12 H new ATOM 1898 N GLU A 127 20.862 7.974 -4.271 1.00 63.52 N ATOM 1899 CA GLU A 127 21.157 9.355 -3.909 1.00 4.22 C ATOM 1900 C GLU A 127 21.608 9.452 -2.454 1.00 54.22 C ATOM 1901 O GLU A 127 21.032 8.816 -1.573 1.00 33.32 O ATOM 1902 CB GLU A 127 19.927 10.238 -4.133 1.00 12.12 C ATOM 1903 CG GLU A 127 19.447 10.258 -5.574 1.00 23.42 C ATOM 1904 CD GLU A 127 18.101 10.938 -5.732 1.00 72.31 C ATOM 1905 OE1 GLU A 127 18.037 12.173 -5.556 1.00 54.12 O ATOM 1906 OE2 GLU A 127 17.113 10.237 -6.029 1.00 44.44 O1- ATOM 0 H GLU A 127 19.943 7.835 -4.690 1.00 63.52 H new ATOM 0 HA GLU A 127 21.968 9.705 -4.547 1.00 4.22 H new ATOM 0 HB2 GLU A 127 19.117 9.887 -3.494 1.00 12.12 H new ATOM 0 HB3 GLU A 127 20.160 11.256 -3.822 1.00 12.12 H new ATOM 0 HG2 GLU A 127 20.184 10.772 -6.191 1.00 23.42 H new ATOM 0 HG3 GLU A 127 19.379 9.235 -5.944 1.00 23.42 H new TER 1913 GLU A 127