USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=37 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 31 HIS :FLIP no HE2:sc= -0.283 F(o=-1.3,f=-0.28) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0682 (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 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 25:sc= 0.0567 USER MOD Single : A 13 MET CE :methyl 143:sc= -2.53 (180deg=-7.14!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.356 F(o=-3.4!,f=-0.36) USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.852 (180deg=-3.74!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 114:sc= 1.05 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -153:sc= 1.25 USER MOD Single : A 56 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.009) USER MOD Single : A 59 THR OG1 : rot -166:sc= 0.482 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 18:sc= 1.14 USER MOD Single : A 70 LYS NZ :NH3+ -108:sc= 1.12 (180deg=-0.0836) USER MOD Single : A 75 THR OG1 : rot 90:sc= 1.38 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 165:sc= 0.508 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 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.01) USER MOD Single : A 90 HIS : no HD1:sc= -0.584 X(o=-0.58,f=-0.97) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc=-0.00218 X(o=-0.0022,f=-0.046) USER MOD Single : A 100 SER OG : rot 180:sc= -0.157 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 110 MET CE :methyl -165:sc= -0.477 (180deg=-1.07) USER MOD Single : A 112 SER OG : rot 120:sc= 0.609 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= 0.0529 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 119 MET CE :methyl -171:sc= -3.53! (180deg=-3.79!) USER MOD Single : A 123 THR OG1 : rot 23:sc= 0.184 USER MOD Single : A 124 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.5) USER MOD Single : A 126 LYS NZ :NH3+ 162:sc=-0.00511 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.304 -20.341 11.302 1.00 74.13 N ATOM 2 CA GLY A 1 -4.466 -18.909 11.471 1.00 34.14 C ATOM 3 C GLY A 1 -4.648 -18.187 10.150 1.00 1.51 C ATOM 4 O GLY A 1 -4.428 -18.748 9.077 1.00 72.31 O ATOM 0 H1 GLY A 1 -5.093 -20.837 11.764 1.00 74.13 H new ATOM 0 H2 GLY A 1 -4.296 -20.572 10.288 1.00 74.13 H new ATOM 0 H3 GLY A 1 -3.406 -20.642 11.733 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -5.329 -18.717 12.109 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -3.593 -18.506 11.985 1.00 34.14 H new ATOM 8 N PRO A 2 -5.060 -16.913 10.220 1.00 21.03 N ATOM 9 CA PRO A 2 -5.280 -16.086 9.029 1.00 2.31 C ATOM 10 C PRO A 2 -3.977 -15.730 8.321 1.00 61.30 C ATOM 11 O PRO A 2 -3.925 -15.658 7.093 1.00 14.21 O ATOM 12 CB PRO A 2 -5.946 -14.827 9.591 1.00 23.42 C ATOM 13 CG PRO A 2 -5.490 -14.756 11.006 1.00 33.11 C ATOM 14 CD PRO A 2 -5.340 -16.180 11.465 1.00 34.03 C ATOM 0 HA PRO A 2 -5.878 -16.602 8.278 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -5.647 -13.939 9.034 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -7.032 -14.892 9.528 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -4.545 -14.219 11.085 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -6.213 -14.221 11.622 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -4.529 -16.287 12.185 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -6.246 -16.543 11.950 1.00 34.03 H new ATOM 22 N THR A 3 -2.926 -15.507 9.104 1.00 23.42 N ATOM 23 CA THR A 3 -1.623 -15.158 8.551 1.00 41.32 C ATOM 24 C THR A 3 -0.495 -15.691 9.426 1.00 20.13 C ATOM 25 O THR A 3 -0.700 -16.008 10.597 1.00 54.11 O ATOM 26 CB THR A 3 -1.467 -13.632 8.406 1.00 33.42 C ATOM 27 OG1 THR A 3 -1.447 -13.016 9.698 1.00 11.12 O ATOM 28 CG2 THR A 3 -2.600 -13.048 7.576 1.00 11.31 C ATOM 0 H THR A 3 -2.952 -15.562 10.122 1.00 23.42 H new ATOM 0 HA THR A 3 -1.563 -15.618 7.565 1.00 41.32 H new ATOM 0 HB THR A 3 -0.525 -13.433 7.895 1.00 33.42 H new ATOM 0 HG1 THR A 3 -1.346 -12.047 9.597 1.00 11.12 H new ATOM 0 HG21 THR A 3 -2.468 -11.970 7.488 1.00 11.31 H new ATOM 0 HG22 THR A 3 -2.592 -13.497 6.583 1.00 11.31 H new ATOM 0 HG23 THR A 3 -3.553 -13.258 8.062 1.00 11.31 H new ATOM 36 N GLY A 4 0.700 -15.789 8.849 1.00 1.33 N ATOM 37 CA GLY A 4 1.844 -16.284 9.591 1.00 1.34 C ATOM 38 C GLY A 4 3.099 -15.476 9.328 1.00 45.41 C ATOM 39 O GLY A 4 3.952 -15.878 8.536 1.00 60.11 O ATOM 0 H GLY A 4 0.895 -15.534 7.881 1.00 1.33 H new ATOM 0 HA2 GLY A 4 1.619 -16.263 10.657 1.00 1.34 H new ATOM 0 HA3 GLY A 4 2.023 -17.325 9.324 1.00 1.34 H new ATOM 43 N THR A 5 3.215 -14.331 9.994 1.00 12.54 N ATOM 44 CA THR A 5 4.373 -13.463 9.826 1.00 74.23 C ATOM 45 C THR A 5 4.481 -12.464 10.972 1.00 64.14 C ATOM 46 O THR A 5 3.487 -11.869 11.386 1.00 14.45 O ATOM 47 CB THR A 5 4.311 -12.694 8.493 1.00 71.41 C ATOM 48 OG1 THR A 5 5.314 -11.672 8.470 1.00 32.23 O ATOM 49 CG2 THR A 5 2.938 -12.070 8.292 1.00 53.45 C ATOM 0 H THR A 5 2.520 -13.984 10.655 1.00 12.54 H new ATOM 0 HA THR A 5 5.253 -14.106 9.824 1.00 74.23 H new ATOM 0 HB THR A 5 4.494 -13.400 7.683 1.00 71.41 H new ATOM 0 HG1 THR A 5 5.269 -11.189 7.619 1.00 32.23 H new ATOM 0 HG21 THR A 5 2.918 -11.532 7.344 1.00 53.45 H new ATOM 0 HG22 THR A 5 2.180 -12.854 8.281 1.00 53.45 H new ATOM 0 HG23 THR A 5 2.731 -11.377 9.107 1.00 53.45 H new ATOM 57 N GLY A 6 5.696 -12.282 11.481 1.00 24.13 N ATOM 58 CA GLY A 6 5.912 -11.353 12.574 1.00 71.40 C ATOM 59 C GLY A 6 7.264 -10.672 12.499 1.00 43.52 C ATOM 60 O GLY A 6 7.919 -10.694 11.457 1.00 52.21 O ATOM 0 H GLY A 6 6.535 -12.762 11.155 1.00 24.13 H new ATOM 0 HA2 GLY A 6 5.127 -10.597 12.564 1.00 71.40 H new ATOM 0 HA3 GLY A 6 5.829 -11.886 13.521 1.00 71.40 H new ATOM 64 N GLU A 7 7.682 -10.064 13.604 1.00 62.41 N ATOM 65 CA GLU A 7 8.964 -9.371 13.657 1.00 61.05 C ATOM 66 C GLU A 7 10.101 -10.299 13.239 1.00 62.33 C ATOM 67 O GLU A 7 10.086 -11.492 13.542 1.00 20.21 O ATOM 68 CB GLU A 7 9.222 -8.835 15.067 1.00 41.31 C ATOM 69 CG GLU A 7 9.264 -7.317 15.142 1.00 34.13 C ATOM 70 CD GLU A 7 9.167 -6.800 16.564 1.00 31.31 C ATOM 71 OE1 GLU A 7 8.308 -7.301 17.320 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 9.950 -5.896 16.920 1.00 50.32 O ATOM 0 H GLU A 7 7.152 -10.037 14.475 1.00 62.41 H new ATOM 0 HA GLU A 7 8.925 -8.534 12.960 1.00 61.05 H new ATOM 0 HB2 GLU A 7 8.443 -9.202 15.735 1.00 41.31 H new ATOM 0 HB3 GLU A 7 10.168 -9.235 15.431 1.00 41.31 H new ATOM 0 HG2 GLU A 7 10.191 -6.960 14.692 1.00 34.13 H new ATOM 0 HG3 GLU A 7 8.445 -6.905 14.553 1.00 34.13 H new ATOM 79 N SER A 8 11.086 -9.743 12.541 1.00 11.13 N ATOM 80 CA SER A 8 12.229 -10.520 12.077 1.00 73.41 C ATOM 81 C SER A 8 13.265 -9.618 11.413 1.00 2.22 C ATOM 82 O SER A 8 12.924 -8.733 10.629 1.00 44.50 O ATOM 83 CB SER A 8 11.773 -11.601 11.097 1.00 62.10 C ATOM 84 OG SER A 8 12.537 -12.784 11.251 1.00 14.33 O ATOM 0 H SER A 8 11.115 -8.756 12.284 1.00 11.13 H new ATOM 0 HA SER A 8 12.690 -10.996 12.943 1.00 73.41 H new ATOM 0 HB2 SER A 8 10.718 -11.822 11.260 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.868 -11.233 10.075 1.00 62.10 H new ATOM 0 HG SER A 8 12.225 -13.460 10.614 1.00 14.33 H new ATOM 90 N LYS A 9 14.534 -9.851 11.732 1.00 44.32 N ATOM 91 CA LYS A 9 15.623 -9.063 11.166 1.00 23.33 C ATOM 92 C LYS A 9 16.573 -9.946 10.363 1.00 33.34 C ATOM 93 O LYS A 9 17.687 -10.236 10.803 1.00 14.24 O ATOM 94 CB LYS A 9 16.391 -8.346 12.278 1.00 44.14 C ATOM 95 CG LYS A 9 15.539 -7.378 13.079 1.00 44.04 C ATOM 96 CD LYS A 9 15.492 -6.006 12.428 1.00 2.52 C ATOM 97 CE LYS A 9 14.359 -5.906 11.418 1.00 53.35 C ATOM 98 NZ LYS A 9 13.933 -4.497 11.201 1.00 32.34 N1+ ATOM 0 H LYS A 9 14.834 -10.580 12.380 1.00 44.32 H new ATOM 0 HA LYS A 9 15.192 -8.321 10.494 1.00 23.33 H new ATOM 0 HB2 LYS A 9 16.814 -9.090 12.954 1.00 44.14 H new ATOM 0 HB3 LYS A 9 17.227 -7.803 11.838 1.00 44.14 H new ATOM 0 HG2 LYS A 9 14.527 -7.773 13.171 1.00 44.04 H new ATOM 0 HG3 LYS A 9 15.940 -7.289 14.089 1.00 44.04 H new ATOM 0 HD2 LYS A 9 15.365 -5.242 13.195 1.00 2.52 H new ATOM 0 HD3 LYS A 9 16.442 -5.805 11.932 1.00 2.52 H new ATOM 0 HE2 LYS A 9 14.678 -6.339 10.470 1.00 53.35 H new ATOM 0 HE3 LYS A 9 13.509 -6.493 11.766 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 13.159 -4.471 10.506 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 13.604 -4.091 12.100 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 14.737 -3.942 10.844 1.00 32.34 H new ATOM 112 N CYS A 10 16.128 -10.369 9.185 1.00 72.52 N ATOM 113 CA CYS A 10 16.940 -11.218 8.321 1.00 50.34 C ATOM 114 C CYS A 10 17.621 -10.393 7.233 1.00 44.02 C ATOM 115 O CYS A 10 17.150 -9.324 6.843 1.00 44.02 O ATOM 116 CB CYS A 10 16.076 -12.308 7.686 1.00 33.40 C ATOM 117 SG CYS A 10 14.685 -11.678 6.717 1.00 22.45 S ATOM 0 H CYS A 10 15.209 -10.138 8.806 1.00 72.52 H new ATOM 0 HA CYS A 10 17.711 -11.686 8.933 1.00 50.34 H new ATOM 0 HB2 CYS A 10 16.703 -12.925 7.042 1.00 33.40 H new ATOM 0 HB3 CYS A 10 15.692 -12.957 8.473 1.00 33.40 H new ATOM 0 HG CYS A 10 14.955 -10.476 6.301 1.00 22.45 H new ATOM 123 N PRO A 11 18.757 -10.899 6.731 1.00 41.21 N ATOM 124 CA PRO A 11 19.527 -10.225 5.682 1.00 32.44 C ATOM 125 C PRO A 11 18.811 -10.240 4.335 1.00 33.11 C ATOM 126 O PRO A 11 18.764 -9.227 3.636 1.00 40.40 O ATOM 127 CB PRO A 11 20.819 -11.043 5.609 1.00 52.53 C ATOM 128 CG PRO A 11 20.440 -12.395 6.109 1.00 50.33 C ATOM 129 CD PRO A 11 19.377 -12.169 7.148 1.00 12.12 C ATOM 0 HA PRO A 11 19.685 -9.170 5.908 1.00 32.44 H new ATOM 0 HB2 PRO A 11 21.200 -11.091 4.589 1.00 52.53 H new ATOM 0 HB3 PRO A 11 21.604 -10.600 6.222 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.066 -13.020 5.298 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.301 -12.908 6.537 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.653 -12.983 7.165 1.00 12.12 H new ATOM 0 HD3 PRO A 11 19.802 -12.099 8.149 1.00 12.12 H new ATOM 137 N LEU A 12 18.253 -11.391 3.980 1.00 24.44 N ATOM 138 CA LEU A 12 17.537 -11.537 2.717 1.00 13.33 C ATOM 139 C LEU A 12 16.277 -12.376 2.899 1.00 62.23 C ATOM 140 O LEU A 12 16.306 -13.427 3.539 1.00 61.54 O ATOM 141 CB LEU A 12 18.445 -12.179 1.665 1.00 1.41 C ATOM 142 CG LEU A 12 18.164 -11.794 0.213 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.457 -11.748 -0.587 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.181 -12.771 -0.417 1.00 3.34 C ATOM 0 H LEU A 12 18.282 -12.237 4.548 1.00 24.44 H new ATOM 0 HA LEU A 12 17.243 -10.544 2.377 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.477 -11.917 1.896 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.363 -13.262 1.755 1.00 1.41 H new ATOM 0 HG LEU A 12 17.717 -10.800 0.201 1.00 23.13 H new ATOM 0 HD11 LEU A 12 19.237 -11.472 -1.618 1.00 43.24 H new ATOM 0 HD12 LEU A 12 20.129 -11.010 -0.150 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.932 -12.729 -0.567 1.00 43.24 H new ATOM 0 HD21 LEU A 12 16.992 -12.482 -1.451 1.00 3.34 H new ATOM 0 HD22 LEU A 12 17.601 -13.776 -0.393 1.00 3.34 H new ATOM 0 HD23 LEU A 12 16.245 -12.755 0.141 1.00 3.34 H new ATOM 156 N MET A 13 15.172 -11.906 2.330 1.00 42.14 N ATOM 157 CA MET A 13 13.902 -12.616 2.427 1.00 33.41 C ATOM 158 C MET A 13 13.385 -12.996 1.044 1.00 40.04 C ATOM 159 O MET A 13 13.249 -12.143 0.165 1.00 53.03 O ATOM 160 CB MET A 13 12.867 -11.755 3.154 1.00 72.22 C ATOM 161 CG MET A 13 11.952 -12.549 4.072 1.00 31.44 C ATOM 162 SD MET A 13 10.896 -13.701 3.172 1.00 1.33 S ATOM 163 CE MET A 13 9.370 -12.768 3.089 1.00 15.23 C ATOM 0 H MET A 13 15.130 -11.037 1.797 1.00 42.14 H new ATOM 0 HA MET A 13 14.067 -13.531 2.997 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.385 -10.996 3.740 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.261 -11.230 2.416 1.00 72.22 H new ATOM 0 HG2 MET A 13 12.556 -13.102 4.791 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.329 -11.860 4.642 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.888 -12.944 2.127 1.00 15.23 H new ATOM 0 HE2 MET A 13 8.705 -13.086 3.892 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.587 -11.705 3.197 1.00 15.23 H new ATOM 173 N VAL A 14 13.097 -14.280 0.856 1.00 0.34 N ATOM 174 CA VAL A 14 12.594 -14.771 -0.421 1.00 54.11 C ATOM 175 C VAL A 14 11.144 -15.229 -0.301 1.00 75.31 C ATOM 176 O VAL A 14 10.837 -16.175 0.423 1.00 44.51 O ATOM 177 CB VAL A 14 13.447 -15.941 -0.947 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.989 -16.351 -2.339 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.921 -15.565 -0.952 1.00 54.20 C ATOM 0 H VAL A 14 13.203 -14.999 1.572 1.00 0.34 H new ATOM 0 HA VAL A 14 12.654 -13.941 -1.125 1.00 54.11 H new ATOM 0 HB VAL A 14 13.315 -16.793 -0.280 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.603 -17.179 -2.695 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.945 -16.663 -2.301 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.091 -15.505 -3.019 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.509 -16.403 -1.326 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.073 -14.699 -1.596 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.238 -15.324 0.062 1.00 54.20 H new ATOM 189 N LYS A 15 10.255 -14.549 -1.018 1.00 45.14 N ATOM 190 CA LYS A 15 8.835 -14.885 -0.994 1.00 34.42 C ATOM 191 C LYS A 15 8.419 -15.579 -2.287 1.00 3.44 C ATOM 192 O LYS A 15 8.470 -14.987 -3.365 1.00 33.44 O ATOM 193 CB LYS A 15 7.995 -13.623 -0.786 1.00 23.14 C ATOM 194 CG LYS A 15 6.549 -13.909 -0.420 1.00 20.51 C ATOM 195 CD LYS A 15 6.350 -13.932 1.087 1.00 21.44 C ATOM 196 CE LYS A 15 6.082 -12.538 1.634 1.00 61.00 C ATOM 197 NZ LYS A 15 4.641 -12.174 1.544 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.492 -13.762 -1.623 1.00 45.14 H new ATOM 0 HA LYS A 15 8.662 -15.569 -0.163 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.448 -13.021 0.001 1.00 23.14 H new ATOM 0 HB3 LYS A 15 8.019 -13.026 -1.698 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.904 -13.150 -0.862 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.248 -14.868 -0.842 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.516 -14.588 1.335 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.236 -14.348 1.566 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.405 -12.488 2.674 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.676 -11.810 1.080 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.500 -11.217 1.927 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.339 -12.197 0.549 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.076 -12.853 2.093 1.00 31.20 H new ATOM 211 N VAL A 16 8.006 -16.837 -2.172 1.00 43.13 N ATOM 212 CA VAL A 16 7.578 -17.611 -3.332 1.00 14.13 C ATOM 213 C VAL A 16 6.062 -17.768 -3.358 1.00 22.53 C ATOM 214 O VAL A 16 5.498 -18.583 -2.628 1.00 43.30 O ATOM 215 CB VAL A 16 8.229 -19.007 -3.345 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.817 -19.774 -4.592 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.742 -18.889 -3.256 1.00 0.34 C ATOM 0 H VAL A 16 7.959 -17.342 -1.287 1.00 43.13 H new ATOM 0 HA VAL A 16 7.898 -17.061 -4.217 1.00 14.13 H new ATOM 0 HB VAL A 16 7.880 -19.562 -2.474 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.286 -20.758 -4.585 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.733 -19.888 -4.607 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.136 -19.226 -5.478 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.186 -19.884 -3.266 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.113 -18.317 -4.107 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.013 -18.380 -2.331 1.00 0.34 H new ATOM 227 N LEU A 17 5.406 -16.982 -4.204 1.00 52.23 N ATOM 228 CA LEU A 17 3.953 -17.033 -4.327 1.00 52.32 C ATOM 229 C LEU A 17 3.542 -17.552 -5.702 1.00 63.31 C ATOM 230 O LEU A 17 4.308 -17.470 -6.662 1.00 71.44 O ATOM 231 CB LEU A 17 3.352 -15.647 -4.091 1.00 44.04 C ATOM 232 CG LEU A 17 2.597 -15.458 -2.775 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.443 -14.676 -1.783 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.270 -14.754 -3.018 1.00 53.44 C ATOM 0 H LEU A 17 5.857 -16.301 -4.815 1.00 52.23 H new ATOM 0 HA LEU A 17 3.572 -17.720 -3.571 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.156 -14.912 -4.134 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.671 -15.423 -4.913 1.00 44.04 H new ATOM 0 HG LEU A 17 2.392 -16.441 -2.351 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.890 -14.551 -0.852 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.367 -15.219 -1.586 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.679 -13.697 -2.199 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.746 -14.628 -2.070 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.453 -13.777 -3.464 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.659 -15.353 -3.694 1.00 53.44 H new ATOM 246 N ASP A 18 2.327 -18.082 -5.788 1.00 52.03 N ATOM 247 CA ASP A 18 1.811 -18.611 -7.047 1.00 1.53 C ATOM 248 C ASP A 18 0.879 -17.605 -7.717 1.00 31.30 C ATOM 249 O ASP A 18 -0.050 -17.095 -7.094 1.00 2.31 O ATOM 250 CB ASP A 18 1.073 -19.928 -6.806 1.00 21.40 C ATOM 251 CG ASP A 18 0.969 -20.771 -8.062 1.00 31.11 C ATOM 252 OD1 ASP A 18 0.759 -20.194 -9.149 1.00 53.44 O ATOM 253 OD2 ASP A 18 1.101 -22.009 -7.958 1.00 31.41 O1- ATOM 0 H ASP A 18 1.681 -18.157 -5.002 1.00 52.03 H new ATOM 0 HA ASP A 18 2.656 -18.794 -7.711 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.591 -20.495 -6.033 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.072 -19.717 -6.430 1.00 21.40 H new ATOM 258 N ALA A 19 1.137 -17.326 -8.991 1.00 54.11 N ATOM 259 CA ALA A 19 0.321 -16.384 -9.746 1.00 4.04 C ATOM 260 C ALA A 19 -0.958 -17.044 -10.248 1.00 72.45 C ATOM 261 O ALA A 19 -1.951 -16.370 -10.521 1.00 54.10 O ATOM 262 CB ALA A 19 1.116 -15.814 -10.911 1.00 64.31 C ATOM 0 H ALA A 19 1.904 -17.739 -9.521 1.00 54.11 H new ATOM 0 HA ALA A 19 0.039 -15.569 -9.079 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.495 -15.112 -11.467 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.997 -15.297 -10.532 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.426 -16.624 -11.571 1.00 64.31 H new ATOM 268 N VAL A 20 -0.927 -18.367 -10.369 1.00 1.32 N ATOM 269 CA VAL A 20 -2.085 -19.119 -10.839 1.00 4.11 C ATOM 270 C VAL A 20 -3.039 -19.432 -9.692 1.00 34.21 C ATOM 271 O VAL A 20 -4.255 -19.292 -9.826 1.00 24.34 O ATOM 272 CB VAL A 20 -1.661 -20.437 -11.513 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.882 -21.283 -11.846 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.841 -20.156 -12.763 1.00 1.33 C ATOM 0 H VAL A 20 -0.113 -18.941 -10.148 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.594 -18.492 -11.571 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.038 -20.998 -10.816 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.563 -22.210 -12.322 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.426 -21.513 -10.930 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.532 -20.732 -12.525 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.550 -21.099 -13.227 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.437 -19.575 -13.466 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.053 -19.593 -12.493 1.00 1.33 H new ATOM 284 N ARG A 21 -2.480 -19.855 -8.562 1.00 70.43 N ATOM 285 CA ARG A 21 -3.281 -20.189 -7.391 1.00 40.24 C ATOM 286 C ARG A 21 -3.504 -18.959 -6.517 1.00 25.13 C ATOM 287 O ARG A 21 -4.467 -18.892 -5.754 1.00 25.45 O ATOM 288 CB ARG A 21 -2.600 -21.291 -6.577 1.00 54.04 C ATOM 289 CG ARG A 21 -2.018 -22.406 -7.430 1.00 23.13 C ATOM 290 CD ARG A 21 -1.516 -23.558 -6.573 1.00 70.24 C ATOM 291 NE ARG A 21 -2.612 -24.340 -6.009 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.485 -25.119 -4.940 1.00 13.33 C ATOM 293 NH1 ARG A 21 -1.317 -25.218 -4.322 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.530 -25.800 -4.487 1.00 42.11 N ATOM 0 H ARG A 21 -1.475 -19.974 -8.433 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.250 -20.549 -7.736 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.803 -20.849 -5.978 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.323 -21.717 -5.881 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.777 -22.770 -8.123 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.198 -22.015 -8.032 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.880 -24.207 -7.175 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.898 -23.166 -5.765 1.00 70.24 H new ATOM 0 HE ARG A 21 -3.525 -24.285 -6.460 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -0.512 -24.695 -4.667 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -1.223 -25.817 -3.502 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -4.431 -25.726 -4.959 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -3.432 -26.398 -3.666 1.00 42.11 H new ATOM 308 N GLY A 22 -2.604 -17.986 -6.633 1.00 14.01 N ATOM 309 CA GLY A 22 -2.720 -16.772 -5.846 1.00 71.33 C ATOM 310 C GLY A 22 -2.385 -16.994 -4.384 1.00 55.30 C ATOM 311 O GLY A 22 -2.831 -16.242 -3.518 1.00 35.44 O ATOM 0 H GLY A 22 -1.798 -18.017 -7.257 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.055 -16.012 -6.256 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.736 -16.385 -5.928 1.00 71.33 H new ATOM 315 N SER A 23 -1.598 -18.029 -4.110 1.00 52.31 N ATOM 316 CA SER A 23 -1.207 -18.351 -2.742 1.00 31.20 C ATOM 317 C SER A 23 0.265 -18.746 -2.676 1.00 73.43 C ATOM 318 O SER A 23 0.881 -19.112 -3.677 1.00 43.22 O ATOM 319 CB SER A 23 -2.077 -19.484 -2.195 1.00 51.44 C ATOM 320 OG SER A 23 -3.238 -18.976 -1.561 1.00 24.23 O ATOM 0 H SER A 23 -1.218 -18.659 -4.817 1.00 52.31 H new ATOM 0 HA SER A 23 -1.353 -17.462 -2.129 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.365 -20.150 -3.008 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.502 -20.078 -1.485 1.00 51.44 H new ATOM 0 HG SER A 23 -3.778 -19.720 -1.222 1.00 24.23 H new ATOM 326 N PRO A 24 0.843 -18.671 -1.468 1.00 13.40 N ATOM 327 CA PRO A 24 2.249 -19.017 -1.240 1.00 34.35 C ATOM 328 C PRO A 24 2.508 -20.514 -1.380 1.00 53.53 C ATOM 329 O PRO A 24 1.722 -21.335 -0.907 1.00 40.42 O ATOM 330 CB PRO A 24 2.498 -18.562 0.199 1.00 12.41 C ATOM 331 CG PRO A 24 1.155 -18.599 0.845 1.00 62.31 C ATOM 332 CD PRO A 24 0.168 -18.242 -0.232 1.00 53.31 C ATOM 0 HA PRO A 24 2.908 -18.546 -1.969 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.200 -19.223 0.707 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.925 -17.559 0.229 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.946 -19.587 1.254 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.101 -17.893 1.674 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.782 -18.758 -0.093 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.047 -17.174 -0.242 1.00 53.31 H new ATOM 340 N ALA A 25 3.612 -20.861 -2.031 1.00 24.51 N ATOM 341 CA ALA A 25 3.975 -22.258 -2.229 1.00 10.44 C ATOM 342 C ALA A 25 4.680 -22.822 -1.001 1.00 33.45 C ATOM 343 O ALA A 25 5.386 -22.102 -0.294 1.00 43.13 O ATOM 344 CB ALA A 25 4.856 -22.405 -3.461 1.00 61.41 C ATOM 0 H ALA A 25 4.271 -20.193 -2.431 1.00 24.51 H new ATOM 0 HA ALA A 25 3.058 -22.828 -2.382 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.120 -23.454 -3.597 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.316 -22.050 -4.339 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.764 -21.817 -3.331 1.00 61.41 H new ATOM 350 N ILE A 26 4.485 -24.113 -0.752 1.00 22.35 N ATOM 351 CA ILE A 26 5.103 -24.772 0.391 1.00 34.21 C ATOM 352 C ILE A 26 6.207 -25.726 -0.054 1.00 14.43 C ATOM 353 O ILE A 26 6.091 -26.385 -1.088 1.00 25.11 O ATOM 354 CB ILE A 26 4.067 -25.556 1.218 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.129 -24.591 1.947 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.765 -26.474 2.209 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.086 -25.285 2.794 1.00 11.52 C ATOM 0 H ILE A 26 3.904 -24.723 -1.327 1.00 22.35 H new ATOM 0 HA ILE A 26 5.533 -23.986 1.012 1.00 34.21 H new ATOM 0 HB ILE A 26 3.473 -26.170 0.541 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.721 -23.932 2.582 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.628 -23.960 1.213 1.00 3.20 H new ATOM 0 HG21 ILE A 26 4.019 -27.021 2.786 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.396 -27.180 1.669 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.381 -25.880 2.884 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.457 -24.539 3.281 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.469 -25.923 2.161 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.579 -25.894 3.552 1.00 11.52 H new ATOM 369 N ASN A 27 7.275 -25.796 0.733 1.00 12.42 N ATOM 370 CA ASN A 27 8.399 -26.671 0.420 1.00 73.32 C ATOM 371 C ASN A 27 8.998 -26.321 -0.939 1.00 13.34 C ATOM 372 O ASN A 27 9.193 -27.192 -1.787 1.00 65.22 O ATOM 373 CB ASN A 27 7.952 -28.134 0.431 1.00 73.52 C ATOM 374 CG ASN A 27 7.838 -28.693 1.836 1.00 73.20 C ATOM 375 OD1 ASN A 27 7.401 -27.858 2.771 1.00 43.32 O flip ATOM 376 ND2 ASN A 27 8.140 -29.862 2.077 1.00 31.42 N flip ATOM 0 H ASN A 27 7.386 -25.258 1.592 1.00 12.42 H new ATOM 0 HA ASN A 27 9.164 -26.526 1.183 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.988 -28.220 -0.071 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.663 -28.733 -0.139 1.00 73.52 H new ATOM 0 HD21 ASN A 27 8.472 -30.468 1.327 1.00 31.42 H new ATOM 0 HD22 ASN A 27 8.059 -30.224 3.027 1.00 31.42 H new ATOM 383 N VAL A 28 9.290 -25.039 -1.139 1.00 10.34 N ATOM 384 CA VAL A 28 9.868 -24.574 -2.394 1.00 3.15 C ATOM 385 C VAL A 28 11.391 -24.551 -2.321 1.00 50.12 C ATOM 386 O VAL A 28 11.983 -23.615 -1.785 1.00 52.30 O ATOM 387 CB VAL A 28 9.362 -23.166 -2.757 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.110 -22.624 -3.965 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.863 -23.190 -3.015 1.00 33.20 C ATOM 0 H VAL A 28 9.136 -24.305 -0.448 1.00 10.34 H new ATOM 0 HA VAL A 28 9.554 -25.275 -3.167 1.00 3.15 H new ATOM 0 HB VAL A 28 9.553 -22.502 -1.914 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.738 -21.628 -4.206 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.175 -22.569 -3.739 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.954 -23.286 -4.817 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.522 -22.187 -3.270 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.647 -23.868 -3.841 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.345 -23.532 -2.119 1.00 33.20 H new ATOM 399 N ALA A 29 12.020 -25.587 -2.866 1.00 21.11 N ATOM 400 CA ALA A 29 13.474 -25.685 -2.866 1.00 13.43 C ATOM 401 C ALA A 29 14.108 -24.439 -3.474 1.00 73.30 C ATOM 402 O ALA A 29 14.028 -24.216 -4.682 1.00 24.22 O ATOM 403 CB ALA A 29 13.920 -26.929 -3.621 1.00 1.22 C ATOM 0 H ALA A 29 11.545 -26.371 -3.313 1.00 21.11 H new ATOM 0 HA ALA A 29 13.808 -25.763 -1.831 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.008 -26.989 -3.613 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.504 -27.815 -3.141 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.567 -26.875 -4.651 1.00 1.22 H new ATOM 409 N VAL A 30 14.739 -23.629 -2.629 1.00 52.51 N ATOM 410 CA VAL A 30 15.387 -22.405 -3.083 1.00 62.05 C ATOM 411 C VAL A 30 16.872 -22.410 -2.741 1.00 64.44 C ATOM 412 O VAL A 30 17.275 -22.890 -1.681 1.00 3.33 O ATOM 413 CB VAL A 30 14.732 -21.158 -2.460 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.361 -19.890 -3.016 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.230 -21.168 -2.702 1.00 50.55 C ATOM 0 H VAL A 30 14.815 -23.799 -1.626 1.00 52.51 H new ATOM 0 HA VAL A 30 15.267 -22.366 -4.166 1.00 62.05 H new ATOM 0 HB VAL A 30 14.904 -21.178 -1.384 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.885 -19.020 -2.564 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.426 -19.881 -2.786 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.223 -19.859 -4.097 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.784 -20.280 -2.255 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.034 -21.172 -3.774 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.795 -22.059 -2.250 1.00 50.55 H new ATOM 425 N HIS A 31 17.684 -21.872 -3.646 1.00 4.33 N ATOM 426 CA HIS A 31 19.128 -21.814 -3.439 1.00 20.44 C ATOM 427 C HIS A 31 19.660 -20.412 -3.720 1.00 70.41 C ATOM 428 O HIS A 31 19.113 -19.684 -4.548 1.00 62.13 O ATOM 429 CB HIS A 31 19.834 -22.830 -4.337 1.00 42.03 C ATOM 430 CG HIS A 31 19.120 -24.143 -4.432 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.546 -24.910 -3.477 1.00 72.51 N flip ATOM 432 CD2 HIS A 31 18.936 -24.814 -5.623 1.00 21.01 C flip ATOM 433 CE1 HIS A 31 18.028 -26.019 -4.101 1.00 63.14 C flip ATOM 434 NE2 HIS A 31 18.277 -25.937 -5.395 1.00 23.04 N flip ATOM 0 H HIS A 31 17.368 -21.470 -4.529 1.00 4.33 H new ATOM 0 HA HIS A 31 19.332 -22.059 -2.397 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.937 -22.409 -5.337 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.841 -23.000 -3.957 1.00 42.03 H new ATOM 0 HD1 HIS A 31 18.505 -24.703 -2.479 1.00 72.51 H new ATOM 0 HD2 HIS A 31 19.277 -24.475 -6.590 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.503 -26.826 -3.613 1.00 63.14 H new ATOM 442 N VAL A 32 20.730 -20.040 -3.025 1.00 33.14 N ATOM 443 CA VAL A 32 21.337 -18.726 -3.200 1.00 13.25 C ATOM 444 C VAL A 32 22.845 -18.839 -3.394 1.00 62.02 C ATOM 445 O VAL A 32 23.539 -19.472 -2.599 1.00 63.22 O ATOM 446 CB VAL A 32 21.053 -17.812 -1.993 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.435 -16.375 -2.311 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.590 -17.906 -1.586 1.00 30.45 C ATOM 0 H VAL A 32 21.195 -20.630 -2.335 1.00 33.14 H new ATOM 0 HA VAL A 32 20.891 -18.287 -4.092 1.00 13.25 H new ATOM 0 HB VAL A 32 21.662 -18.148 -1.154 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.227 -15.744 -1.447 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.497 -16.325 -2.550 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.854 -16.024 -3.164 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.407 -17.254 -0.732 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.960 -17.597 -2.420 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.353 -18.935 -1.314 1.00 30.45 H new ATOM 458 N PHE A 33 23.347 -18.220 -4.458 1.00 14.51 N ATOM 459 CA PHE A 33 24.773 -18.250 -4.758 1.00 10.33 C ATOM 460 C PHE A 33 25.330 -16.836 -4.899 1.00 51.44 C ATOM 461 O PHE A 33 24.584 -15.885 -5.133 1.00 61.13 O ATOM 462 CB PHE A 33 25.029 -19.041 -6.043 1.00 54.22 C ATOM 463 CG PHE A 33 24.639 -20.489 -5.944 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.304 -20.863 -5.955 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.605 -21.475 -5.839 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.943 -22.193 -5.863 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.250 -22.808 -5.747 1.00 51.24 C ATOM 468 CZ PHE A 33 23.917 -23.166 -5.759 1.00 15.51 C ATOM 0 H PHE A 33 22.787 -17.692 -5.127 1.00 14.51 H new ATOM 0 HA PHE A 33 25.282 -18.741 -3.929 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.476 -18.579 -6.861 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.087 -18.974 -6.296 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.538 -20.106 -6.036 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.649 -21.199 -5.829 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.900 -22.472 -5.872 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.014 -23.567 -5.666 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.636 -24.206 -5.687 1.00 15.51 H new ATOM 478 N ARG A 34 26.645 -16.708 -4.756 1.00 32.15 N ATOM 479 CA ARG A 34 27.301 -15.410 -4.865 1.00 13.44 C ATOM 480 C ARG A 34 28.328 -15.414 -5.994 1.00 21.02 C ATOM 481 O ARG A 34 28.949 -16.438 -6.280 1.00 3.34 O ATOM 482 CB ARG A 34 27.982 -15.047 -3.544 1.00 72.25 C ATOM 483 CG ARG A 34 29.290 -15.783 -3.310 1.00 3.34 C ATOM 484 CD ARG A 34 29.707 -15.729 -1.849 1.00 53.42 C ATOM 485 NE ARG A 34 31.083 -15.263 -1.689 1.00 31.04 N ATOM 486 CZ ARG A 34 31.450 -13.995 -1.833 1.00 34.30 C ATOM 487 NH1 ARG A 34 30.549 -13.071 -2.139 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.721 -13.649 -1.671 1.00 2.43 N ATOM 0 H ARG A 34 27.277 -17.486 -4.565 1.00 32.15 H new ATOM 0 HA ARG A 34 26.540 -14.663 -5.091 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.171 -13.974 -3.525 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.300 -15.265 -2.722 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.184 -16.822 -3.621 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.072 -15.343 -3.929 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.034 -15.067 -1.304 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.606 -16.720 -1.406 1.00 53.42 H new ATOM 0 HE ARG A 34 31.800 -15.949 -1.454 1.00 31.04 H new ATOM 0 HH11 ARG A 34 29.571 -13.334 -2.264 1.00 44.53 H new ATOM 0 HH12 ARG A 34 30.834 -12.098 -2.249 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.416 -14.357 -1.436 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.002 -12.675 -1.782 1.00 2.43 H new ATOM 502 N LYS A 35 28.501 -14.262 -6.633 1.00 54.20 N ATOM 503 CA LYS A 35 29.452 -14.131 -7.730 1.00 73.31 C ATOM 504 C LYS A 35 30.873 -13.974 -7.202 1.00 71.34 C ATOM 505 O LYS A 35 31.224 -12.942 -6.632 1.00 63.22 O ATOM 506 CB LYS A 35 29.087 -12.931 -8.608 1.00 24.12 C ATOM 507 CG LYS A 35 30.181 -12.535 -9.582 1.00 14.42 C ATOM 508 CD LYS A 35 30.570 -13.695 -10.485 1.00 34.13 C ATOM 509 CE LYS A 35 29.574 -13.874 -11.620 1.00 42.22 C ATOM 510 NZ LYS A 35 29.622 -15.251 -12.187 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.995 -13.405 -6.410 1.00 54.20 H new ATOM 0 HA LYS A 35 29.405 -15.040 -8.329 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.181 -13.163 -9.167 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.857 -12.080 -7.968 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.842 -11.697 -10.191 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.056 -12.194 -9.029 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.564 -13.520 -10.896 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.624 -14.612 -9.898 1.00 34.13 H new ATOM 0 HE2 LYS A 35 28.568 -13.666 -11.257 1.00 42.22 H new ATOM 0 HE3 LYS A 35 29.785 -13.150 -12.407 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.654 -15.594 -12.348 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 30.139 -15.237 -13.090 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.108 -15.884 -11.520 1.00 53.31 H new ATOM 524 N ALA A 36 31.689 -15.006 -7.397 1.00 33.44 N ATOM 525 CA ALA A 36 33.074 -14.980 -6.944 1.00 70.02 C ATOM 526 C ALA A 36 33.921 -14.058 -7.815 1.00 20.11 C ATOM 527 O ALA A 36 33.406 -13.391 -8.712 1.00 35.22 O ATOM 528 CB ALA A 36 33.654 -16.387 -6.942 1.00 3.22 C ATOM 0 H ALA A 36 31.414 -15.869 -7.865 1.00 33.44 H new ATOM 0 HA ALA A 36 33.090 -14.590 -5.926 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.689 -16.353 -6.602 1.00 3.22 H new ATOM 0 HB2 ALA A 36 33.072 -17.020 -6.272 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.617 -16.797 -7.951 1.00 3.22 H new ATOM 534 N ALA A 37 35.221 -14.025 -7.544 1.00 24.23 N ATOM 535 CA ALA A 37 36.139 -13.185 -8.304 1.00 41.33 C ATOM 536 C ALA A 37 36.587 -13.882 -9.585 1.00 62.24 C ATOM 537 O ALA A 37 37.309 -13.303 -10.398 1.00 15.13 O ATOM 538 CB ALA A 37 37.345 -12.816 -7.453 1.00 20.34 C ATOM 0 H ALA A 37 35.663 -14.570 -6.804 1.00 24.23 H new ATOM 0 HA ALA A 37 35.612 -12.272 -8.582 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.022 -12.189 -8.033 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.014 -12.271 -6.569 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.865 -13.723 -7.146 1.00 20.34 H new ATOM 544 N ASP A 38 36.154 -15.125 -9.759 1.00 62.14 N ATOM 545 CA ASP A 38 36.511 -15.901 -10.941 1.00 4.12 C ATOM 546 C ASP A 38 35.336 -15.985 -11.910 1.00 0.42 C ATOM 547 O ASP A 38 35.257 -16.902 -12.728 1.00 23.13 O ATOM 548 CB ASP A 38 36.960 -17.307 -10.540 1.00 0.10 C ATOM 549 CG ASP A 38 37.948 -17.902 -11.523 1.00 65.21 C ATOM 550 OD1 ASP A 38 39.058 -17.345 -11.657 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.614 -18.923 -12.158 1.00 5.41 O ATOM 0 H ASP A 38 35.555 -15.618 -9.096 1.00 62.14 H new ATOM 0 HA ASP A 38 37.337 -15.395 -11.441 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.414 -17.272 -9.550 1.00 0.10 H new ATOM 0 HB3 ASP A 38 36.088 -17.957 -10.468 1.00 0.10 H new ATOM 556 N ASP A 39 34.424 -15.024 -11.813 1.00 22.23 N ATOM 557 CA ASP A 39 33.252 -14.989 -12.679 1.00 13.11 C ATOM 558 C ASP A 39 32.420 -16.258 -12.519 1.00 31.25 C ATOM 559 O ASP A 39 31.814 -16.741 -13.476 1.00 44.13 O ATOM 560 CB ASP A 39 33.677 -14.824 -14.139 1.00 2.13 C ATOM 561 CG ASP A 39 34.382 -13.506 -14.392 1.00 55.52 C ATOM 562 OD1 ASP A 39 34.074 -12.523 -13.686 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.244 -13.458 -15.294 1.00 22.43 O ATOM 0 H ASP A 39 34.474 -14.258 -11.142 1.00 22.23 H new ATOM 0 HA ASP A 39 32.640 -14.136 -12.387 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.338 -15.645 -14.417 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.798 -14.891 -14.780 1.00 2.13 H new ATOM 568 N THR A 40 32.397 -16.794 -11.303 1.00 30.11 N ATOM 569 CA THR A 40 31.642 -18.007 -11.018 1.00 25.33 C ATOM 570 C THR A 40 30.647 -17.782 -9.886 1.00 51.15 C ATOM 571 O THR A 40 30.698 -16.765 -9.194 1.00 63.30 O ATOM 572 CB THR A 40 32.574 -19.175 -10.642 1.00 62.55 C ATOM 573 OG1 THR A 40 33.278 -18.869 -9.433 1.00 73.04 O ATOM 574 CG2 THR A 40 33.570 -19.453 -11.758 1.00 33.22 C ATOM 0 H THR A 40 32.893 -16.407 -10.500 1.00 30.11 H new ATOM 0 HA THR A 40 31.101 -18.263 -11.929 1.00 25.33 H new ATOM 0 HB THR A 40 31.963 -20.065 -10.492 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.867 -19.617 -9.199 1.00 73.04 H new ATOM 0 HG21 THR A 40 34.217 -20.281 -11.470 1.00 33.22 H new ATOM 0 HG22 THR A 40 33.032 -19.713 -12.670 1.00 33.22 H new ATOM 0 HG23 THR A 40 34.175 -18.564 -11.935 1.00 33.22 H new ATOM 582 N TRP A 41 29.742 -18.737 -9.700 1.00 51.02 N ATOM 583 CA TRP A 41 28.735 -18.642 -8.650 1.00 63.44 C ATOM 584 C TRP A 41 29.001 -19.661 -7.548 1.00 42.43 C ATOM 585 O TRP A 41 28.932 -20.868 -7.777 1.00 72.23 O ATOM 586 CB TRP A 41 27.337 -18.856 -9.234 1.00 61.33 C ATOM 587 CG TRP A 41 27.001 -17.897 -10.336 1.00 74.13 C ATOM 588 CD1 TRP A 41 27.030 -18.147 -11.678 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.585 -16.535 -10.188 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.658 -17.022 -12.374 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.379 -16.020 -11.483 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.365 -15.701 -9.089 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.965 -14.709 -11.705 1.00 72.03 C ATOM 594 CZ3 TRP A 41 25.955 -14.400 -9.311 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.758 -13.915 -10.611 1.00 4.00 C ATOM 0 H TRP A 41 29.685 -19.586 -10.263 1.00 51.02 H new ATOM 0 HA TRP A 41 28.790 -17.643 -8.217 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.261 -19.875 -9.613 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.599 -18.757 -8.438 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.305 -19.090 -12.127 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.599 -16.946 -13.389 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.513 -16.067 -8.084 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.813 -14.333 -12.706 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.784 -13.746 -8.469 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.436 -12.894 -10.752 1.00 4.00 H new ATOM 606 N GLU A 42 29.303 -19.167 -6.351 1.00 14.31 N ATOM 607 CA GLU A 42 29.580 -20.036 -5.214 1.00 22.31 C ATOM 608 C GLU A 42 28.343 -20.190 -4.333 1.00 30.22 C ATOM 609 O GLU A 42 27.427 -19.368 -4.357 1.00 23.11 O ATOM 610 CB GLU A 42 30.741 -19.479 -4.388 1.00 42.11 C ATOM 611 CG GLU A 42 32.109 -19.875 -4.916 1.00 72.32 C ATOM 612 CD GLU A 42 33.093 -20.196 -3.807 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.628 -19.247 -3.198 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.326 -21.395 -3.549 1.00 22.45 O ATOM 0 H GLU A 42 29.362 -18.170 -6.144 1.00 14.31 H new ATOM 0 HA GLU A 42 29.856 -21.018 -5.599 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.671 -18.392 -4.365 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.643 -19.826 -3.359 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.006 -20.743 -5.567 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.507 -19.064 -5.526 1.00 72.32 H new ATOM 621 N PRO A 43 28.314 -21.270 -3.538 1.00 55.32 N ATOM 622 CA PRO A 43 27.195 -21.558 -2.635 1.00 0.45 C ATOM 623 C PRO A 43 27.122 -20.576 -1.470 1.00 61.23 C ATOM 624 O PRO A 43 28.054 -20.476 -0.671 1.00 55.41 O ATOM 625 CB PRO A 43 27.504 -22.969 -2.127 1.00 61.34 C ATOM 626 CG PRO A 43 28.983 -23.101 -2.252 1.00 40.42 C ATOM 627 CD PRO A 43 29.371 -22.292 -3.459 1.00 75.22 C ATOM 0 HA PRO A 43 26.232 -21.473 -3.139 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.181 -23.097 -1.094 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.988 -23.725 -2.719 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.485 -22.732 -1.357 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.273 -24.145 -2.372 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.357 -21.842 -3.341 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.406 -22.905 -4.360 1.00 75.22 H new ATOM 635 N PHE A 44 26.011 -19.854 -1.380 1.00 1.12 N ATOM 636 CA PHE A 44 25.818 -18.879 -0.312 1.00 62.35 C ATOM 637 C PHE A 44 24.857 -19.415 0.745 1.00 72.22 C ATOM 638 O PHE A 44 25.193 -19.482 1.927 1.00 41.04 O ATOM 639 CB PHE A 44 25.284 -17.564 -0.884 1.00 22.21 C ATOM 640 CG PHE A 44 25.169 -16.470 0.138 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.297 -15.971 0.768 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.932 -15.939 0.468 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.196 -14.962 1.708 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.823 -14.931 1.407 1.00 23.30 C ATOM 645 CZ PHE A 44 24.956 -14.443 2.029 1.00 2.44 C ATOM 0 H PHE A 44 25.231 -19.925 -2.033 1.00 1.12 H new ATOM 0 HA PHE A 44 26.784 -18.696 0.159 1.00 62.35 H new ATOM 0 HB2 PHE A 44 25.942 -17.232 -1.687 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.304 -17.741 -1.327 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.268 -16.375 0.522 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.043 -16.317 -0.014 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.084 -14.580 2.190 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.853 -14.525 1.654 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.873 -13.657 2.765 1.00 2.44 H new ATOM 655 N ALA A 45 23.659 -19.793 0.311 1.00 74.54 N ATOM 656 CA ALA A 45 22.650 -20.324 1.218 1.00 71.13 C ATOM 657 C ALA A 45 21.621 -21.160 0.466 1.00 63.11 C ATOM 658 O ALA A 45 21.666 -21.263 -0.759 1.00 0.42 O ATOM 659 CB ALA A 45 21.966 -19.190 1.968 1.00 14.12 C ATOM 0 H ALA A 45 23.364 -19.741 -0.664 1.00 74.54 H new ATOM 0 HA ALA A 45 23.149 -20.972 1.938 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.214 -19.601 2.642 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.707 -18.636 2.545 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.486 -18.520 1.255 1.00 14.12 H new ATOM 665 N SER A 46 20.694 -21.759 1.209 1.00 60.52 N ATOM 666 CA SER A 46 19.657 -22.591 0.612 1.00 52.32 C ATOM 667 C SER A 46 18.580 -22.935 1.636 1.00 40.50 C ATOM 668 O SER A 46 18.856 -23.047 2.830 1.00 65.02 O ATOM 669 CB SER A 46 20.266 -23.875 0.045 1.00 70.12 C ATOM 670 OG SER A 46 19.352 -24.955 0.133 1.00 13.53 O ATOM 0 H SER A 46 20.641 -21.683 2.225 1.00 60.52 H new ATOM 0 HA SER A 46 19.196 -22.027 -0.199 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.549 -23.718 -0.996 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.177 -24.120 0.590 1.00 70.12 H new ATOM 0 HG SER A 46 19.764 -25.763 -0.237 1.00 13.53 H new ATOM 676 N GLY A 47 17.349 -23.100 1.161 1.00 11.14 N ATOM 677 CA GLY A 47 16.249 -23.429 2.047 1.00 1.53 C ATOM 678 C GLY A 47 14.931 -23.564 1.310 1.00 63.12 C ATOM 679 O GLY A 47 14.863 -23.353 0.098 1.00 62.23 O ATOM 0 H GLY A 47 17.094 -23.011 0.177 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.470 -24.363 2.564 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.158 -22.656 2.810 1.00 1.53 H new ATOM 683 N LYS A 48 13.880 -23.919 2.041 1.00 51.41 N ATOM 684 CA LYS A 48 12.557 -24.082 1.450 1.00 3.33 C ATOM 685 C LYS A 48 11.556 -23.120 2.082 1.00 14.54 C ATOM 686 O LYS A 48 11.779 -22.608 3.180 1.00 53.10 O ATOM 687 CB LYS A 48 12.073 -25.524 1.623 1.00 54.50 C ATOM 688 CG LYS A 48 12.930 -26.544 0.895 1.00 35.21 C ATOM 689 CD LYS A 48 12.493 -27.966 1.209 1.00 13.00 C ATOM 690 CE LYS A 48 13.465 -28.987 0.637 1.00 55.05 C ATOM 691 NZ LYS A 48 13.059 -30.382 0.964 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.919 -24.099 3.044 1.00 51.41 H new ATOM 0 HA LYS A 48 12.631 -23.855 0.387 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.056 -25.768 2.685 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.047 -25.600 1.262 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.868 -26.372 -0.180 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.974 -26.412 1.179 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.421 -28.096 2.289 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.498 -28.141 0.800 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.521 -28.869 -0.445 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.464 -28.798 1.030 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.746 -31.048 0.557 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.030 -30.502 1.997 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.117 -30.571 0.567 1.00 60.34 H new ATOM 705 N THR A 49 10.451 -22.879 1.383 1.00 35.43 N ATOM 706 CA THR A 49 9.416 -21.979 1.876 1.00 51.31 C ATOM 707 C THR A 49 8.375 -22.734 2.695 1.00 3.20 C ATOM 708 O THR A 49 8.365 -23.965 2.720 1.00 55.41 O ATOM 709 CB THR A 49 8.710 -21.248 0.718 1.00 40.10 C ATOM 710 OG1 THR A 49 7.973 -22.184 -0.076 1.00 34.44 O ATOM 711 CG2 THR A 49 9.718 -20.517 -0.155 1.00 72.54 C ATOM 0 H THR A 49 10.250 -23.295 0.474 1.00 35.43 H new ATOM 0 HA THR A 49 9.912 -21.245 2.512 1.00 51.31 H new ATOM 0 HB THR A 49 8.024 -20.516 1.144 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.014 -21.998 0.005 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.196 -20.009 -0.966 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.256 -19.784 0.446 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.425 -21.234 -0.572 1.00 72.54 H new ATOM 719 N SER A 50 7.501 -21.989 3.364 1.00 13.14 N ATOM 720 CA SER A 50 6.457 -22.588 4.187 1.00 23.01 C ATOM 721 C SER A 50 5.074 -22.150 3.714 1.00 61.40 C ATOM 722 O SER A 50 4.927 -21.593 2.627 1.00 4.13 O ATOM 723 CB SER A 50 6.652 -22.204 5.655 1.00 14.25 C ATOM 724 OG SER A 50 8.028 -22.074 5.970 1.00 22.21 O ATOM 0 H SER A 50 7.495 -20.969 3.352 1.00 13.14 H new ATOM 0 HA SER A 50 6.529 -23.671 4.090 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.139 -21.265 5.860 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.199 -22.961 6.295 1.00 14.25 H new ATOM 0 HG SER A 50 8.126 -21.826 6.913 1.00 22.21 H new ATOM 730 N GLU A 51 4.065 -22.407 4.540 1.00 40.23 N ATOM 731 CA GLU A 51 2.693 -22.041 4.207 1.00 60.32 C ATOM 732 C GLU A 51 2.575 -20.539 3.965 1.00 42.55 C ATOM 733 O GLU A 51 1.624 -20.074 3.337 1.00 73.13 O ATOM 734 CB GLU A 51 1.742 -22.465 5.327 1.00 71.34 C ATOM 735 CG GLU A 51 2.248 -22.121 6.718 1.00 5.20 C ATOM 736 CD GLU A 51 1.225 -21.359 7.539 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.687 -20.353 7.032 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.963 -21.771 8.689 1.00 12.23 O ATOM 0 H GLU A 51 4.171 -22.867 5.444 1.00 40.23 H new ATOM 0 HA GLU A 51 2.417 -22.562 3.290 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.775 -21.986 5.172 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.578 -23.541 5.265 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.516 -23.039 7.240 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.157 -21.525 6.633 1.00 5.20 H new ATOM 745 N SER A 52 3.547 -19.786 4.468 1.00 0.31 N ATOM 746 CA SER A 52 3.551 -18.337 4.310 1.00 24.21 C ATOM 747 C SER A 52 4.317 -17.928 3.056 1.00 24.50 C ATOM 748 O SER A 52 4.193 -16.801 2.580 1.00 12.24 O ATOM 749 CB SER A 52 4.173 -17.671 5.540 1.00 63.01 C ATOM 750 OG SER A 52 3.242 -17.599 6.606 1.00 15.33 O ATOM 0 H SER A 52 4.342 -20.156 4.989 1.00 0.31 H new ATOM 0 HA SER A 52 2.518 -18.005 4.208 1.00 24.21 H new ATOM 0 HB2 SER A 52 5.051 -18.234 5.857 1.00 63.01 H new ATOM 0 HB3 SER A 52 4.513 -16.668 5.282 1.00 63.01 H new ATOM 0 HG SER A 52 3.464 -16.839 7.183 1.00 15.33 H new ATOM 756 N GLY A 53 5.108 -18.856 2.524 1.00 45.14 N ATOM 757 CA GLY A 53 5.882 -18.574 1.329 1.00 60.22 C ATOM 758 C GLY A 53 7.155 -17.808 1.631 1.00 74.10 C ATOM 759 O GLY A 53 7.938 -17.517 0.728 1.00 12.51 O ATOM 0 H GLY A 53 5.226 -19.797 2.899 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.134 -19.511 0.834 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.272 -17.999 0.632 1.00 60.22 H new ATOM 763 N GLU A 54 7.360 -17.481 2.903 1.00 43.33 N ATOM 764 CA GLU A 54 8.546 -16.743 3.319 1.00 51.21 C ATOM 765 C GLU A 54 9.682 -17.696 3.680 1.00 32.34 C ATOM 766 O GLU A 54 9.455 -18.760 4.257 1.00 45.34 O ATOM 767 CB GLU A 54 8.222 -15.843 4.513 1.00 52.21 C ATOM 768 CG GLU A 54 6.962 -15.014 4.325 1.00 3.13 C ATOM 769 CD GLU A 54 6.551 -14.283 5.589 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.324 -14.954 6.617 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.459 -13.038 5.549 1.00 3.21 O ATOM 0 H GLU A 54 6.721 -17.715 3.662 1.00 43.33 H new ATOM 0 HA GLU A 54 8.867 -16.123 2.482 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.111 -16.461 5.404 1.00 52.21 H new ATOM 0 HB3 GLU A 54 9.064 -15.174 4.692 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.124 -14.289 3.527 1.00 3.13 H new ATOM 0 HG3 GLU A 54 6.148 -15.664 4.005 1.00 3.13 H new ATOM 778 N LEU A 55 10.904 -17.307 3.337 1.00 2.41 N ATOM 779 CA LEU A 55 12.077 -18.126 3.624 1.00 22.44 C ATOM 780 C LEU A 55 13.184 -17.289 4.257 1.00 75.42 C ATOM 781 O LEU A 55 13.851 -16.506 3.579 1.00 42.00 O ATOM 782 CB LEU A 55 12.590 -18.785 2.342 1.00 1.43 C ATOM 783 CG LEU A 55 13.894 -19.573 2.468 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.802 -20.578 3.607 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.220 -20.277 1.159 1.00 12.22 C ATOM 0 H LEU A 55 11.109 -16.429 2.860 1.00 2.41 H new ATOM 0 HA LEU A 55 11.783 -18.902 4.331 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.817 -19.457 1.968 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.729 -18.009 1.589 1.00 1.43 H new ATOM 0 HG LEU A 55 14.699 -18.873 2.692 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.739 -21.130 3.682 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.615 -20.051 4.543 1.00 65.40 H new ATOM 0 HD13 LEU A 55 12.986 -21.274 3.413 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.151 -20.833 1.267 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.414 -20.965 0.905 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.329 -19.538 0.366 1.00 12.22 H new ATOM 797 N HIS A 56 13.377 -17.462 5.562 1.00 62.22 N ATOM 798 CA HIS A 56 14.406 -16.724 6.287 1.00 52.21 C ATOM 799 C HIS A 56 15.317 -17.676 7.054 1.00 65.14 C ATOM 800 O HIS A 56 15.064 -18.878 7.117 1.00 61.43 O ATOM 801 CB HIS A 56 13.763 -15.725 7.251 1.00 44.24 C ATOM 802 CG HIS A 56 12.638 -16.304 8.051 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.809 -16.841 9.310 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.321 -16.428 7.766 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.644 -17.271 9.764 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.725 -17.031 8.847 1.00 75.35 N ATOM 0 H HIS A 56 12.835 -18.106 6.138 1.00 62.22 H new ATOM 0 HA HIS A 56 15.009 -16.179 5.560 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.526 -15.348 7.932 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.392 -14.872 6.683 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.830 -16.112 6.858 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.473 -17.739 10.722 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.734 -17.257 8.928 1.00 75.35 H new ATOM 814 N GLY A 57 16.380 -17.129 7.638 1.00 54.50 N ATOM 815 CA GLY A 57 17.313 -17.944 8.393 1.00 51.11 C ATOM 816 C GLY A 57 18.375 -18.575 7.513 1.00 44.14 C ATOM 817 O GLY A 57 19.029 -19.539 7.911 1.00 3.50 O ATOM 0 H GLY A 57 16.611 -16.136 7.601 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.794 -17.330 9.154 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.765 -18.728 8.916 1.00 51.11 H new ATOM 821 N LEU A 58 18.547 -18.031 6.313 1.00 1.11 N ATOM 822 CA LEU A 58 19.536 -18.547 5.374 1.00 53.45 C ATOM 823 C LEU A 58 20.952 -18.262 5.863 1.00 62.15 C ATOM 824 O LEU A 58 21.780 -19.169 5.966 1.00 35.35 O ATOM 825 CB LEU A 58 19.327 -17.928 3.991 1.00 64.24 C ATOM 826 CG LEU A 58 18.319 -18.635 3.084 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.166 -17.886 1.770 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.745 -20.074 2.834 1.00 62.04 C ATOM 0 H LEU A 58 18.014 -17.233 5.968 1.00 1.11 H new ATOM 0 HA LEU A 58 19.406 -19.627 5.305 1.00 53.45 H new ATOM 0 HB2 LEU A 58 19.005 -16.895 4.122 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.289 -17.899 3.479 1.00 64.24 H new ATOM 0 HG LEU A 58 17.352 -18.646 3.586 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.445 -18.404 1.138 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.814 -16.873 1.967 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.129 -17.843 1.262 1.00 55.53 H new ATOM 0 HD21 LEU A 58 18.016 -20.562 2.187 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.723 -20.086 2.353 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.801 -20.607 3.783 1.00 62.04 H new ATOM 840 N THR A 59 21.225 -16.997 6.164 1.00 11.10 N ATOM 841 CA THR A 59 22.541 -16.591 6.644 1.00 32.02 C ATOM 842 C THR A 59 22.433 -15.436 7.633 1.00 65.34 C ATOM 843 O THR A 59 21.336 -14.982 7.957 1.00 12.31 O ATOM 844 CB THR A 59 23.458 -16.172 5.479 1.00 50.44 C ATOM 845 OG1 THR A 59 22.747 -15.312 4.581 1.00 55.13 O ATOM 846 CG2 THR A 59 23.967 -17.391 4.725 1.00 44.44 C ATOM 0 H THR A 59 20.552 -16.235 6.084 1.00 11.10 H new ATOM 0 HA THR A 59 22.976 -17.455 7.146 1.00 32.02 H new ATOM 0 HB THR A 59 24.313 -15.638 5.893 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.250 -15.226 3.744 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.612 -17.070 3.907 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.532 -18.029 5.404 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.122 -17.949 4.322 1.00 44.44 H new ATOM 854 N THR A 60 23.580 -14.963 8.109 1.00 54.44 N ATOM 855 CA THR A 60 23.616 -13.860 9.062 1.00 13.13 C ATOM 856 C THR A 60 24.171 -12.595 8.418 1.00 21.15 C ATOM 857 O THR A 60 24.636 -12.620 7.279 1.00 14.52 O ATOM 858 CB THR A 60 24.469 -14.211 10.295 1.00 25.41 C ATOM 859 OG1 THR A 60 25.767 -14.655 9.884 1.00 64.13 O ATOM 860 CG2 THR A 60 23.798 -15.294 11.127 1.00 52.01 C ATOM 0 H THR A 60 24.497 -15.327 7.850 1.00 54.44 H new ATOM 0 HA THR A 60 22.588 -13.682 9.379 1.00 13.13 H new ATOM 0 HB THR A 60 24.569 -13.314 10.906 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.303 -14.874 10.674 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.419 -15.525 11.992 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.823 -14.942 11.464 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.671 -16.191 10.522 1.00 52.01 H new ATOM 868 N GLU A 61 24.118 -11.489 9.154 1.00 22.20 N ATOM 869 CA GLU A 61 24.615 -10.214 8.653 1.00 34.44 C ATOM 870 C GLU A 61 26.141 -10.189 8.649 1.00 75.15 C ATOM 871 O GLU A 61 26.758 -9.504 7.833 1.00 20.20 O ATOM 872 CB GLU A 61 24.078 -9.061 9.505 1.00 63.34 C ATOM 873 CG GLU A 61 24.678 -7.712 9.150 1.00 15.31 C ATOM 874 CD GLU A 61 23.780 -6.553 9.542 1.00 74.31 C ATOM 875 OE1 GLU A 61 23.329 -6.520 10.706 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 23.532 -5.680 8.685 1.00 31.33 O ATOM 0 H GLU A 61 23.736 -11.451 10.099 1.00 22.20 H new ATOM 0 HA GLU A 61 24.263 -10.094 7.628 1.00 34.44 H new ATOM 0 HB2 GLU A 61 22.995 -9.009 9.390 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.278 -9.273 10.555 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.642 -7.605 9.648 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.867 -7.674 8.077 1.00 15.31 H new ATOM 883 N GLU A 62 26.742 -10.941 9.566 1.00 42.53 N ATOM 884 CA GLU A 62 28.196 -11.004 9.668 1.00 43.33 C ATOM 885 C GLU A 62 28.782 -11.865 8.554 1.00 65.32 C ATOM 886 O GLU A 62 29.949 -11.719 8.193 1.00 62.24 O ATOM 887 CB GLU A 62 28.609 -11.562 11.031 1.00 54.13 C ATOM 888 CG GLU A 62 27.841 -10.958 12.195 1.00 32.32 C ATOM 889 CD GLU A 62 28.754 -10.423 13.281 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.802 -9.834 12.940 1.00 12.42 O ATOM 891 OE2 GLU A 62 28.420 -10.592 14.472 1.00 22.34 O1- ATOM 0 H GLU A 62 26.246 -11.514 10.248 1.00 42.53 H new ATOM 0 HA GLU A 62 28.587 -9.992 9.564 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.462 -12.642 11.031 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.674 -11.385 11.179 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.208 -10.151 11.828 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.180 -11.713 12.620 1.00 32.32 H new ATOM 898 N GLU A 63 27.963 -12.764 8.014 1.00 72.05 N ATOM 899 CA GLU A 63 28.402 -13.649 6.943 1.00 4.24 C ATOM 900 C GLU A 63 27.992 -13.099 5.580 1.00 63.22 C ATOM 901 O GLU A 63 28.667 -13.329 4.576 1.00 24.32 O ATOM 902 CB GLU A 63 27.817 -15.050 7.136 1.00 2.20 C ATOM 903 CG GLU A 63 28.084 -15.988 5.971 1.00 63.03 C ATOM 904 CD GLU A 63 29.564 -16.188 5.710 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.289 -16.550 6.660 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.998 -15.980 4.558 1.00 13.21 O ATOM 0 H GLU A 63 26.993 -12.897 8.301 1.00 72.05 H new ATOM 0 HA GLU A 63 29.490 -13.709 6.980 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.232 -15.486 8.045 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.740 -14.967 7.285 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.621 -16.954 6.174 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.611 -15.590 5.073 1.00 63.03 H new ATOM 913 N PHE A 64 26.882 -12.371 5.552 1.00 65.55 N ATOM 914 CA PHE A 64 26.380 -11.789 4.312 1.00 2.44 C ATOM 915 C PHE A 64 27.304 -10.678 3.820 1.00 64.41 C ATOM 916 O PHE A 64 27.468 -9.653 4.482 1.00 23.03 O ATOM 917 CB PHE A 64 24.967 -11.238 4.518 1.00 11.52 C ATOM 918 CG PHE A 64 24.230 -10.983 3.235 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.646 -9.987 2.367 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.120 -11.740 2.895 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.971 -9.750 1.185 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.441 -11.509 1.714 1.00 23.23 C ATOM 923 CZ PHE A 64 22.866 -10.511 0.859 1.00 20.10 C ATOM 0 H PHE A 64 26.312 -12.169 6.374 1.00 65.55 H new ATOM 0 HA PHE A 64 26.350 -12.574 3.557 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.395 -11.943 5.122 1.00 11.52 H new ATOM 0 HB3 PHE A 64 25.027 -10.308 5.084 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.509 -9.388 2.617 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.782 -12.520 3.561 1.00 23.14 H new ATOM 0 HE1 PHE A 64 24.307 -8.971 0.517 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.579 -12.108 1.460 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.335 -10.326 -0.063 1.00 20.10 H new ATOM 933 N VAL A 65 27.904 -10.890 2.655 1.00 21.05 N ATOM 934 CA VAL A 65 28.812 -9.909 2.072 1.00 15.40 C ATOM 935 C VAL A 65 28.168 -9.203 0.884 1.00 44.42 C ATOM 936 O VAL A 65 27.026 -9.487 0.525 1.00 15.41 O ATOM 937 CB VAL A 65 30.129 -10.563 1.614 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.975 -10.957 2.816 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.846 -11.770 0.733 1.00 3.14 C ATOM 0 H VAL A 65 27.778 -11.733 2.095 1.00 21.05 H new ATOM 0 HA VAL A 65 29.031 -9.179 2.851 1.00 15.40 H new ATOM 0 HB VAL A 65 30.690 -9.837 1.026 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.902 -11.418 2.473 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.207 -10.069 3.404 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.423 -11.667 3.432 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.788 -12.220 0.419 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.264 -12.501 1.294 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.283 -11.455 -0.146 1.00 3.14 H new ATOM 949 N GLU A 66 28.910 -8.282 0.276 1.00 71.12 N ATOM 950 CA GLU A 66 28.411 -7.536 -0.873 1.00 72.12 C ATOM 951 C GLU A 66 28.784 -8.233 -2.178 1.00 23.14 C ATOM 952 O GLU A 66 29.636 -9.119 -2.199 1.00 1.30 O ATOM 953 CB GLU A 66 28.969 -6.111 -0.865 1.00 3.54 C ATOM 954 CG GLU A 66 30.454 -6.037 -1.178 1.00 73.15 C ATOM 955 CD GLU A 66 31.067 -4.707 -0.786 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.726 -4.192 0.299 1.00 63.51 O ATOM 957 OE2 GLU A 66 31.888 -4.180 -1.566 1.00 4.44 O1- ATOM 0 H GLU A 66 29.858 -8.035 0.560 1.00 71.12 H new ATOM 0 HA GLU A 66 27.324 -7.493 -0.802 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.423 -5.512 -1.593 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.790 -5.665 0.113 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.972 -6.840 -0.654 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.605 -6.202 -2.245 1.00 73.15 H new ATOM 964 N GLY A 67 28.137 -7.824 -3.266 1.00 24.52 N ATOM 965 CA GLY A 67 28.413 -8.420 -4.561 1.00 43.11 C ATOM 966 C GLY A 67 27.162 -8.944 -5.237 1.00 53.01 C ATOM 967 O GLY A 67 26.053 -8.761 -4.732 1.00 30.33 O ATOM 0 H GLY A 67 27.427 -7.091 -3.274 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.887 -7.679 -5.205 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.124 -9.236 -4.437 1.00 43.11 H new ATOM 971 N ILE A 68 27.338 -9.596 -6.381 1.00 63.14 N ATOM 972 CA ILE A 68 26.214 -10.147 -7.126 1.00 74.20 C ATOM 973 C ILE A 68 25.812 -11.515 -6.583 1.00 31.45 C ATOM 974 O ILE A 68 26.654 -12.280 -6.113 1.00 12.54 O ATOM 975 CB ILE A 68 26.543 -10.280 -8.625 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.136 -8.973 -9.157 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.296 -10.659 -9.410 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.647 -8.974 -9.210 1.00 72.12 C ATOM 0 H ILE A 68 28.249 -9.755 -6.812 1.00 63.14 H new ATOM 0 HA ILE A 68 25.384 -9.451 -7.004 1.00 74.20 H new ATOM 0 HB ILE A 68 27.282 -11.071 -8.750 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.745 -8.787 -10.157 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.803 -8.149 -8.526 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.545 -10.749 -10.467 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.912 -11.612 -9.045 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.536 -9.888 -9.281 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.998 -8.017 -9.597 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.046 -9.129 -8.208 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.988 -9.777 -9.864 1.00 72.12 H new ATOM 990 N TYR A 69 24.520 -11.815 -6.651 1.00 70.53 N ATOM 991 CA TYR A 69 24.006 -13.090 -6.166 1.00 5.55 C ATOM 992 C TYR A 69 23.036 -13.705 -7.171 1.00 31.10 C ATOM 993 O TYR A 69 22.425 -13.000 -7.975 1.00 43.33 O ATOM 994 CB TYR A 69 23.308 -12.903 -4.817 1.00 75.15 C ATOM 995 CG TYR A 69 24.262 -12.632 -3.675 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.637 -11.334 -3.351 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.788 -13.674 -2.922 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.508 -11.082 -2.309 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.658 -13.430 -1.877 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.016 -12.133 -1.575 1.00 12.51 C ATOM 1001 OH TYR A 69 26.884 -11.888 -0.535 1.00 52.05 O ATOM 0 H TYR A 69 23.810 -11.193 -7.037 1.00 70.53 H new ATOM 0 HA TYR A 69 24.850 -13.768 -6.041 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.602 -12.076 -4.894 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.728 -13.797 -4.590 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.241 -10.508 -3.923 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.512 -14.691 -3.157 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.790 -10.067 -2.070 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.056 -14.251 -1.299 1.00 72.34 H new ATOM 0 HH TYR A 69 26.811 -10.950 -0.262 1.00 52.05 H new ATOM 1011 N LYS A 70 22.898 -15.026 -7.119 1.00 53.33 N ATOM 1012 CA LYS A 70 22.003 -15.738 -8.023 1.00 53.10 C ATOM 1013 C LYS A 70 21.095 -16.690 -7.250 1.00 14.23 C ATOM 1014 O LYS A 70 21.569 -17.596 -6.564 1.00 71.33 O ATOM 1015 CB LYS A 70 22.809 -16.518 -9.063 1.00 4.23 C ATOM 1016 CG LYS A 70 21.968 -17.052 -10.209 1.00 73.02 C ATOM 1017 CD LYS A 70 22.687 -18.160 -10.960 1.00 24.44 C ATOM 1018 CE LYS A 70 22.767 -19.433 -10.132 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.298 -20.577 -10.924 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.395 -15.625 -6.460 1.00 53.33 H new ATOM 0 HA LYS A 70 21.381 -15.002 -8.532 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.588 -15.871 -9.466 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.310 -17.352 -8.571 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.021 -17.429 -9.822 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.731 -16.240 -10.896 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.166 -18.365 -11.895 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.693 -17.831 -11.221 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.406 -19.263 -9.266 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.776 -19.683 -9.753 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 22.528 -21.247 -11.126 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.694 -20.225 -11.819 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.043 -21.059 -10.381 1.00 5.14 H new ATOM 1033 N VAL A 71 19.787 -16.478 -7.366 1.00 73.11 N ATOM 1034 CA VAL A 71 18.813 -17.319 -6.681 1.00 34.45 C ATOM 1035 C VAL A 71 18.149 -18.292 -7.648 1.00 63.22 C ATOM 1036 O VAL A 71 17.764 -17.915 -8.755 1.00 63.42 O ATOM 1037 CB VAL A 71 17.727 -16.472 -5.992 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.663 -17.368 -5.376 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.346 -15.564 -4.941 1.00 13.51 C ATOM 0 H VAL A 71 19.378 -15.731 -7.928 1.00 73.11 H new ATOM 0 HA VAL A 71 19.358 -17.882 -5.924 1.00 34.45 H new ATOM 0 HB VAL A 71 17.249 -15.844 -6.744 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.904 -16.752 -4.893 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.199 -17.971 -6.156 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.123 -18.023 -4.636 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.564 -14.973 -4.465 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.852 -16.170 -4.189 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.067 -14.897 -5.415 1.00 13.51 H new ATOM 1049 N GLU A 72 18.016 -19.544 -7.224 1.00 52.24 N ATOM 1050 CA GLU A 72 17.398 -20.570 -8.054 1.00 34.02 C ATOM 1051 C GLU A 72 16.224 -21.223 -7.328 1.00 45.41 C ATOM 1052 O GLU A 72 16.384 -21.774 -6.239 1.00 32.53 O ATOM 1053 CB GLU A 72 18.427 -21.634 -8.441 1.00 24.24 C ATOM 1054 CG GLU A 72 19.460 -21.145 -9.443 1.00 50.22 C ATOM 1055 CD GLU A 72 20.017 -22.265 -10.299 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.609 -23.427 -10.097 1.00 13.41 O ATOM 1057 OE2 GLU A 72 20.864 -21.979 -11.172 1.00 24.10 O1- ATOM 0 H GLU A 72 18.328 -19.872 -6.310 1.00 52.24 H new ATOM 0 HA GLU A 72 17.023 -20.091 -8.959 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.939 -21.976 -7.542 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.907 -22.496 -8.859 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.008 -20.391 -10.087 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.277 -20.660 -8.909 1.00 50.22 H new ATOM 1064 N ILE A 73 15.047 -21.157 -7.940 1.00 61.12 N ATOM 1065 CA ILE A 73 13.848 -21.741 -7.353 1.00 75.21 C ATOM 1066 C ILE A 73 13.396 -22.971 -8.134 1.00 61.50 C ATOM 1067 O ILE A 73 13.368 -22.961 -9.366 1.00 61.15 O ATOM 1068 CB ILE A 73 12.691 -20.724 -7.305 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.174 -19.399 -6.711 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.530 -21.282 -6.496 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.096 -18.340 -6.643 1.00 64.32 C ATOM 0 H ILE A 73 14.898 -20.705 -8.842 1.00 61.12 H new ATOM 0 HA ILE A 73 14.106 -22.034 -6.335 1.00 75.21 H new ATOM 0 HB ILE A 73 12.344 -20.540 -8.322 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.559 -19.579 -5.707 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.004 -19.023 -7.309 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.720 -20.553 -6.471 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.174 -22.203 -6.958 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.862 -21.491 -5.479 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.509 -17.428 -6.212 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.727 -18.132 -7.647 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.275 -18.696 -6.021 1.00 64.32 H new ATOM 1083 N ASP A 74 13.042 -24.027 -7.411 1.00 20.43 N ATOM 1084 CA ASP A 74 12.588 -25.264 -8.037 1.00 51.21 C ATOM 1085 C ASP A 74 11.069 -25.381 -7.970 1.00 25.22 C ATOM 1086 O ASP A 74 10.524 -26.055 -7.094 1.00 75.54 O ATOM 1087 CB ASP A 74 13.235 -26.472 -7.356 1.00 1.22 C ATOM 1088 CG ASP A 74 14.630 -26.753 -7.881 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.225 -25.846 -8.497 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.123 -27.882 -7.677 1.00 5.22 O ATOM 0 H ASP A 74 13.060 -24.052 -6.391 1.00 20.43 H new ATOM 0 HA ASP A 74 12.887 -25.243 -9.085 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.283 -26.297 -6.281 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.608 -27.351 -7.509 1.00 1.22 H new ATOM 1095 N THR A 75 10.388 -24.719 -8.900 1.00 25.23 N ATOM 1096 CA THR A 75 8.932 -24.747 -8.946 1.00 73.01 C ATOM 1097 C THR A 75 8.419 -26.136 -9.312 1.00 65.31 C ATOM 1098 O THR A 75 7.295 -26.503 -8.971 1.00 53.44 O ATOM 1099 CB THR A 75 8.382 -23.727 -9.961 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.592 -24.201 -11.295 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.055 -22.373 -9.786 1.00 30.20 C ATOM 0 H THR A 75 10.822 -24.157 -9.632 1.00 25.23 H new ATOM 0 HA THR A 75 8.580 -24.483 -7.949 1.00 73.01 H new ATOM 0 HB THR A 75 7.313 -23.610 -9.782 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.818 -24.730 -11.580 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.651 -21.669 -10.513 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.868 -22.001 -8.779 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.129 -22.478 -9.941 1.00 30.20 H new ATOM 1109 N LYS A 76 9.251 -26.904 -10.006 1.00 33.31 N ATOM 1110 CA LYS A 76 8.884 -28.254 -10.416 1.00 53.53 C ATOM 1111 C LYS A 76 8.433 -29.083 -9.218 1.00 52.22 C ATOM 1112 O LYS A 76 7.567 -29.949 -9.341 1.00 33.40 O ATOM 1113 CB LYS A 76 10.066 -28.939 -11.107 1.00 42.11 C ATOM 1114 CG LYS A 76 11.221 -29.249 -10.172 1.00 35.11 C ATOM 1115 CD LYS A 76 11.219 -30.708 -9.748 1.00 64.45 C ATOM 1116 CE LYS A 76 12.629 -31.211 -9.476 1.00 4.34 C ATOM 1117 NZ LYS A 76 12.627 -32.440 -8.636 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.185 -26.614 -10.297 1.00 33.31 H new ATOM 0 HA LYS A 76 8.053 -28.180 -11.118 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.721 -29.866 -11.564 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.424 -28.300 -11.914 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.164 -29.014 -10.666 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.157 -28.613 -9.289 1.00 35.11 H new ATOM 0 HD2 LYS A 76 10.610 -30.827 -8.852 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.759 -31.314 -10.529 1.00 64.45 H new ATOM 0 HE2 LYS A 76 13.129 -31.418 -10.422 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.203 -30.431 -8.976 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 13.606 -32.751 -8.473 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.172 -32.236 -7.723 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 12.101 -33.193 -9.124 1.00 11.00 H new ATOM 1131 N SER A 77 9.025 -28.811 -8.060 1.00 50.35 N ATOM 1132 CA SER A 77 8.685 -29.534 -6.839 1.00 24.21 C ATOM 1133 C SER A 77 7.303 -29.129 -6.335 1.00 74.33 C ATOM 1134 O SER A 77 6.591 -29.931 -5.729 1.00 24.13 O ATOM 1135 CB SER A 77 9.732 -29.270 -5.756 1.00 2.11 C ATOM 1136 OG SER A 77 11.031 -29.617 -6.206 1.00 64.04 O ATOM 0 H SER A 77 9.742 -28.096 -7.941 1.00 50.35 H new ATOM 0 HA SER A 77 8.671 -30.599 -7.069 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.711 -28.217 -5.474 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.488 -29.844 -4.862 1.00 2.11 H new ATOM 0 HG SER A 77 11.682 -29.437 -5.496 1.00 64.04 H new ATOM 1142 N TYR A 78 6.929 -27.881 -6.592 1.00 62.35 N ATOM 1143 CA TYR A 78 5.634 -27.367 -6.162 1.00 72.42 C ATOM 1144 C TYR A 78 4.545 -27.722 -7.171 1.00 51.41 C ATOM 1145 O TYR A 78 3.373 -27.846 -6.818 1.00 23.54 O ATOM 1146 CB TYR A 78 5.698 -25.850 -5.978 1.00 12.14 C ATOM 1147 CG TYR A 78 4.426 -25.254 -5.419 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.877 -25.725 -4.233 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.775 -24.218 -6.076 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.714 -25.183 -3.719 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.612 -23.669 -5.570 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.086 -24.156 -4.391 1.00 21.50 C ATOM 1153 OH TYR A 78 0.929 -23.612 -3.882 1.00 72.23 O ATOM 0 H TYR A 78 7.504 -27.206 -7.096 1.00 62.35 H new ATOM 0 HA TYR A 78 5.387 -27.832 -5.208 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.526 -25.608 -5.312 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.916 -25.385 -6.939 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.367 -26.528 -3.703 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.185 -23.835 -6.999 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.300 -25.562 -2.796 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.118 -22.864 -6.094 1.00 34.34 H new ATOM 0 HH TYR A 78 0.745 -22.759 -4.328 1.00 72.23 H new ATOM 1163 N TRP A 79 4.944 -27.885 -8.428 1.00 73.24 N ATOM 1164 CA TRP A 79 4.004 -28.227 -9.489 1.00 62.55 C ATOM 1165 C TRP A 79 3.674 -29.715 -9.466 1.00 11.32 C ATOM 1166 O TRP A 79 2.616 -30.134 -9.935 1.00 34.45 O ATOM 1167 CB TRP A 79 4.579 -27.840 -10.852 1.00 35.20 C ATOM 1168 CG TRP A 79 4.767 -26.363 -11.021 1.00 34.11 C ATOM 1169 CD1 TRP A 79 5.902 -25.721 -11.424 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.788 -25.344 -10.789 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.689 -24.364 -11.457 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.399 -24.107 -11.072 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.454 -25.355 -10.371 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.722 -22.897 -10.950 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.784 -24.153 -10.249 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.418 -22.937 -10.538 1.00 2.41 C ATOM 0 H TRP A 79 5.911 -27.786 -8.737 1.00 73.24 H new ATOM 0 HA TRP A 79 3.084 -27.668 -9.319 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.539 -28.339 -10.988 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.915 -28.206 -11.635 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.831 -26.208 -11.680 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.379 -23.662 -11.725 1.00 13.12 H new ATOM 0 HE3 TRP A 79 1.956 -26.287 -10.147 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.209 -21.959 -11.173 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.754 -24.150 -9.925 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.867 -22.014 -10.434 1.00 2.41 H new ATOM 1187 N LYS A 80 4.586 -30.510 -8.917 1.00 14.35 N ATOM 1188 CA LYS A 80 4.393 -31.953 -8.832 1.00 74.13 C ATOM 1189 C LYS A 80 3.479 -32.311 -7.663 1.00 72.35 C ATOM 1190 O LYS A 80 2.890 -33.391 -7.632 1.00 42.42 O ATOM 1191 CB LYS A 80 5.740 -32.662 -8.675 1.00 2.35 C ATOM 1192 CG LYS A 80 6.307 -32.586 -7.268 1.00 11.13 C ATOM 1193 CD LYS A 80 6.177 -33.915 -6.543 1.00 4.54 C ATOM 1194 CE LYS A 80 7.434 -34.758 -6.695 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.130 -36.216 -6.681 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.467 -30.179 -8.524 1.00 14.35 H new ATOM 0 HA LYS A 80 3.921 -32.286 -9.756 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.625 -33.709 -8.955 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.455 -32.223 -9.370 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.357 -32.296 -7.313 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.786 -31.811 -6.706 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.983 -33.736 -5.485 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.320 -34.463 -6.936 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.933 -34.500 -7.629 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.128 -34.524 -5.888 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.013 -36.756 -6.787 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 6.677 -36.467 -5.779 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.488 -36.444 -7.467 1.00 15.12 H new ATOM 1209 N ALA A 81 3.367 -31.397 -6.706 1.00 25.24 N ATOM 1210 CA ALA A 81 2.522 -31.615 -5.537 1.00 60.14 C ATOM 1211 C ALA A 81 1.053 -31.712 -5.933 1.00 25.04 C ATOM 1212 O ALA A 81 0.292 -32.485 -5.351 1.00 75.40 O ATOM 1213 CB ALA A 81 2.726 -30.500 -4.523 1.00 62.23 C ATOM 0 H ALA A 81 3.850 -30.499 -6.716 1.00 25.24 H new ATOM 0 HA ALA A 81 2.811 -32.562 -5.081 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.089 -30.676 -3.656 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.770 -30.480 -4.209 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.466 -29.544 -4.977 1.00 62.23 H new ATOM 1219 N LEU A 82 0.659 -30.920 -6.923 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.722 -30.915 -7.396 1.00 42.14 C ATOM 1221 C LEU A 82 -0.829 -31.571 -8.768 1.00 63.11 C ATOM 1222 O LEU A 82 -1.897 -32.041 -9.162 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.255 -29.482 -7.460 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.202 -28.373 -7.445 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.637 -28.415 -8.712 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.864 -27.012 -7.285 1.00 52.23 C ATOM 0 H LEU A 82 1.275 -30.273 -7.414 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.324 -31.489 -6.691 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.851 -29.377 -8.367 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.928 -29.328 -6.617 1.00 1.31 H new ATOM 0 HG LEU A 82 0.458 -28.536 -6.593 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.380 -27.618 -8.683 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.141 -29.379 -8.783 1.00 30.23 H new ATOM 0 HD13 LEU A 82 -0.008 -28.278 -9.580 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.100 -26.235 -7.276 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.547 -26.840 -8.116 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.419 -26.985 -6.347 1.00 52.23 H new ATOM 1238 N GLY A 83 0.285 -31.604 -9.493 1.00 74.15 N ATOM 1239 CA GLY A 83 0.295 -32.207 -10.813 1.00 24.44 C ATOM 1240 C GLY A 83 0.000 -31.204 -11.912 1.00 53.33 C ATOM 1241 O GLY A 83 -0.811 -31.467 -12.799 1.00 44.53 O ATOM 0 H GLY A 83 1.181 -31.224 -9.189 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.269 -32.663 -10.993 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.443 -33.008 -10.849 1.00 24.44 H new ATOM 1245 N ILE A 84 0.659 -30.052 -11.850 1.00 11.52 N ATOM 1246 CA ILE A 84 0.463 -29.007 -12.847 1.00 73.53 C ATOM 1247 C ILE A 84 1.414 -29.185 -14.025 1.00 73.31 C ATOM 1248 O ILE A 84 2.578 -29.546 -13.848 1.00 12.13 O ATOM 1249 CB ILE A 84 0.669 -27.606 -12.243 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.681 -26.967 -11.908 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.454 -26.725 -13.202 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.597 -27.871 -11.113 1.00 31.45 C ATOM 0 H ILE A 84 1.333 -29.819 -11.121 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.566 -29.095 -13.197 1.00 73.53 H new ATOM 0 HB ILE A 84 1.242 -27.706 -11.321 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.510 -26.050 -11.344 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.179 -26.683 -12.835 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.591 -25.738 -12.760 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.428 -27.175 -13.395 1.00 54.52 H new ATOM 0 HG23 ILE A 84 0.906 -26.630 -14.140 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.535 -27.353 -10.912 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.799 -28.778 -11.684 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.119 -28.135 -10.170 1.00 31.45 H new ATOM 1264 N SER A 85 0.912 -28.927 -15.229 1.00 52.21 N ATOM 1265 CA SER A 85 1.717 -29.061 -16.438 1.00 24.12 C ATOM 1266 C SER A 85 3.015 -28.267 -16.316 1.00 3.33 C ATOM 1267 O SER A 85 3.024 -27.037 -16.329 1.00 53.24 O ATOM 1268 CB SER A 85 0.927 -28.584 -17.657 1.00 54.52 C ATOM 1269 OG SER A 85 1.510 -29.056 -18.859 1.00 23.32 O ATOM 0 H SER A 85 -0.048 -28.624 -15.393 1.00 52.21 H new ATOM 0 HA SER A 85 1.966 -30.115 -16.565 1.00 24.12 H new ATOM 0 HB2 SER A 85 -0.103 -28.934 -17.587 1.00 54.52 H new ATOM 0 HB3 SER A 85 0.893 -27.495 -17.669 1.00 54.52 H new ATOM 0 HG SER A 85 0.985 -28.739 -19.624 1.00 23.32 H new ATOM 1275 N PRO A 86 4.140 -28.989 -16.195 1.00 42.12 N ATOM 1276 CA PRO A 86 5.465 -28.375 -16.070 1.00 71.24 C ATOM 1277 C PRO A 86 5.917 -27.704 -17.362 1.00 40.35 C ATOM 1278 O PRO A 86 6.324 -28.375 -18.310 1.00 12.43 O ATOM 1279 CB PRO A 86 6.374 -29.560 -15.734 1.00 45.12 C ATOM 1280 CG PRO A 86 5.674 -30.747 -16.300 1.00 24.31 C ATOM 1281 CD PRO A 86 4.204 -30.460 -16.172 1.00 65.12 C ATOM 0 HA PRO A 86 5.479 -27.584 -15.320 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.364 -29.437 -16.174 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.514 -29.659 -14.658 1.00 45.12 H new ATOM 0 HG2 PRO A 86 5.952 -30.904 -17.342 1.00 24.31 H new ATOM 0 HG3 PRO A 86 5.943 -31.654 -15.759 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.636 -30.900 -16.992 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.795 -30.866 -15.247 1.00 65.12 H new ATOM 1289 N MET A 87 5.845 -26.377 -17.391 1.00 43.33 N ATOM 1290 CA MET A 87 6.250 -25.616 -18.567 1.00 1.42 C ATOM 1291 C MET A 87 7.670 -25.083 -18.407 1.00 55.04 C ATOM 1292 O MET A 87 8.376 -24.864 -19.392 1.00 10.13 O ATOM 1293 CB MET A 87 5.281 -24.458 -18.810 1.00 20.04 C ATOM 1294 CG MET A 87 3.828 -24.893 -18.914 1.00 72.24 C ATOM 1295 SD MET A 87 2.809 -23.702 -19.807 1.00 22.31 S ATOM 1296 CE MET A 87 2.345 -24.663 -21.244 1.00 35.42 C ATOM 0 H MET A 87 5.510 -25.807 -16.614 1.00 43.33 H new ATOM 0 HA MET A 87 6.227 -26.285 -19.428 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.379 -23.737 -17.998 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.565 -23.944 -19.729 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.777 -25.859 -19.417 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.422 -25.034 -17.912 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.711 -24.061 -21.895 1.00 35.42 H new ATOM 0 HE2 MET A 87 3.242 -24.962 -21.787 1.00 35.42 H new ATOM 0 HE3 MET A 87 1.799 -25.552 -20.927 1.00 35.42 H new ATOM 1306 N HIS A 88 8.082 -24.873 -17.161 1.00 0.52 N ATOM 1307 CA HIS A 88 9.418 -24.364 -16.873 1.00 51.21 C ATOM 1308 C HIS A 88 10.093 -25.195 -15.785 1.00 23.12 C ATOM 1309 O HIS A 88 9.498 -25.475 -14.746 1.00 50.35 O ATOM 1310 CB HIS A 88 9.346 -22.900 -16.440 1.00 24.12 C ATOM 1311 CG HIS A 88 8.947 -21.968 -17.544 1.00 62.11 C ATOM 1312 ND1 HIS A 88 8.024 -20.956 -17.376 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.350 -21.899 -18.833 1.00 20.22 C ATOM 1314 CE1 HIS A 88 7.877 -20.307 -18.517 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.670 -20.859 -19.416 1.00 3.14 N ATOM 0 H HIS A 88 7.510 -25.047 -16.335 1.00 0.52 H new ATOM 0 HA HIS A 88 10.012 -24.438 -17.784 1.00 51.21 H new ATOM 0 HB2 HIS A 88 8.633 -22.806 -15.621 1.00 24.12 H new ATOM 0 HB3 HIS A 88 10.318 -22.596 -16.052 1.00 24.12 H new ATOM 0 HD2 HIS A 88 10.072 -22.542 -19.314 1.00 20.22 H new ATOM 0 HE1 HIS A 88 7.219 -19.467 -18.686 1.00 21.10 H new ATOM 0 HE2 HIS A 88 8.763 -20.561 -20.387 1.00 3.14 H new ATOM 1323 N GLU A 89 11.338 -25.589 -16.036 1.00 53.32 N ATOM 1324 CA GLU A 89 12.092 -26.389 -15.078 1.00 13.34 C ATOM 1325 C GLU A 89 12.241 -25.652 -13.750 1.00 2.34 C ATOM 1326 O GLU A 89 11.665 -26.051 -12.738 1.00 33.31 O ATOM 1327 CB GLU A 89 13.474 -26.732 -15.641 1.00 13.54 C ATOM 1328 CG GLU A 89 14.213 -27.788 -14.838 1.00 22.51 C ATOM 1329 CD GLU A 89 13.538 -29.144 -14.897 1.00 44.10 C ATOM 1330 OE1 GLU A 89 12.510 -29.326 -14.212 1.00 63.34 O ATOM 1331 OE2 GLU A 89 14.037 -30.024 -15.629 1.00 31.10 O1- ATOM 0 H GLU A 89 11.845 -25.368 -16.893 1.00 53.32 H new ATOM 0 HA GLU A 89 11.540 -27.312 -14.901 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.362 -27.080 -16.668 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.078 -25.825 -15.676 1.00 13.54 H new ATOM 0 HG2 GLU A 89 15.232 -27.877 -15.213 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.283 -27.466 -13.799 1.00 22.51 H new ATOM 1338 N HIS A 90 13.020 -24.574 -13.763 1.00 12.33 N ATOM 1339 CA HIS A 90 13.245 -23.780 -12.559 1.00 64.04 C ATOM 1340 C HIS A 90 13.384 -22.300 -12.904 1.00 64.34 C ATOM 1341 O HIS A 90 13.504 -21.933 -14.072 1.00 61.10 O ATOM 1342 CB HIS A 90 14.498 -24.265 -11.830 1.00 14.33 C ATOM 1343 CG HIS A 90 15.674 -24.476 -12.735 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.304 -25.693 -12.877 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.332 -23.615 -13.546 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.301 -25.573 -13.736 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.339 -24.322 -14.157 1.00 64.31 N ATOM 0 H HIS A 90 13.505 -24.231 -14.592 1.00 12.33 H new ATOM 0 HA HIS A 90 12.382 -23.904 -11.904 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.766 -23.539 -11.063 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.271 -25.200 -11.318 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.107 -22.568 -13.686 1.00 24.13 H new ATOM 0 HE1 HIS A 90 17.971 -26.363 -14.042 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.008 -23.942 -14.827 1.00 64.31 H new ATOM 1355 N ALA A 91 13.364 -21.455 -11.878 1.00 30.43 N ATOM 1356 CA ALA A 91 13.489 -20.016 -12.072 1.00 4.31 C ATOM 1357 C ALA A 91 14.790 -19.492 -11.474 1.00 13.54 C ATOM 1358 O ALA A 91 15.010 -19.587 -10.267 1.00 55.12 O ATOM 1359 CB ALA A 91 12.296 -19.296 -11.460 1.00 53.12 C ATOM 0 H ALA A 91 13.262 -21.742 -10.905 1.00 30.43 H new ATOM 0 HA ALA A 91 13.508 -19.819 -13.144 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.402 -18.222 -11.612 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.379 -19.641 -11.937 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.251 -19.509 -10.392 1.00 53.12 H new ATOM 1365 N GLU A 92 15.648 -18.939 -12.326 1.00 71.53 N ATOM 1366 CA GLU A 92 16.927 -18.402 -11.880 1.00 22.11 C ATOM 1367 C GLU A 92 17.003 -16.898 -12.130 1.00 21.04 C ATOM 1368 O GLU A 92 16.738 -16.427 -13.236 1.00 35.42 O ATOM 1369 CB GLU A 92 18.080 -19.107 -12.598 1.00 20.12 C ATOM 1370 CG GLU A 92 17.923 -20.618 -12.662 1.00 3.34 C ATOM 1371 CD GLU A 92 19.129 -21.303 -13.274 1.00 5.13 C ATOM 1372 OE1 GLU A 92 19.957 -20.606 -13.895 1.00 51.43 O ATOM 1373 OE2 GLU A 92 19.244 -22.539 -13.130 1.00 1.44 O1- ATOM 0 H GLU A 92 15.480 -18.852 -13.328 1.00 71.53 H new ATOM 0 HA GLU A 92 17.012 -18.580 -10.808 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.160 -18.715 -13.612 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.014 -18.868 -12.090 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.761 -21.006 -11.656 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.035 -20.863 -13.245 1.00 3.34 H new ATOM 1380 N VAL A 93 17.367 -16.149 -11.093 1.00 13.33 N ATOM 1381 CA VAL A 93 17.478 -14.700 -11.200 1.00 70.50 C ATOM 1382 C VAL A 93 18.774 -14.201 -10.570 1.00 3.53 C ATOM 1383 O VAL A 93 19.237 -14.741 -9.565 1.00 12.13 O ATOM 1384 CB VAL A 93 16.287 -13.994 -10.523 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.330 -12.498 -10.792 1.00 23.41 C ATOM 1386 CG2 VAL A 93 14.973 -14.593 -11.002 1.00 45.53 C ATOM 0 H VAL A 93 17.590 -16.522 -10.170 1.00 13.33 H new ATOM 0 HA VAL A 93 17.477 -14.460 -12.263 1.00 70.50 H new ATOM 0 HB VAL A 93 16.359 -14.147 -9.446 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.481 -12.016 -10.306 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.257 -12.084 -10.397 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.282 -12.320 -11.866 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.142 -14.084 -10.515 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.890 -14.471 -12.082 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.945 -15.654 -10.753 1.00 45.53 H new ATOM 1396 N VAL A 94 19.355 -13.165 -11.168 1.00 2.22 N ATOM 1397 CA VAL A 94 20.598 -12.592 -10.665 1.00 2.02 C ATOM 1398 C VAL A 94 20.372 -11.189 -10.113 1.00 12.31 C ATOM 1399 O VAL A 94 19.829 -10.321 -10.797 1.00 50.11 O ATOM 1400 CB VAL A 94 21.674 -12.531 -11.765 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.971 -11.961 -11.213 1.00 20.21 C ATOM 1402 CG2 VAL A 94 21.901 -13.911 -12.364 1.00 30.43 C ATOM 0 H VAL A 94 18.985 -12.706 -12.000 1.00 2.22 H new ATOM 0 HA VAL A 94 20.945 -13.244 -9.863 1.00 2.02 H new ATOM 0 HB VAL A 94 21.323 -11.869 -12.556 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.719 -11.926 -12.005 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.794 -10.954 -10.836 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.331 -12.594 -10.402 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.664 -13.850 -13.140 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.231 -14.597 -11.584 1.00 30.43 H new ATOM 0 HG23 VAL A 94 20.971 -14.277 -12.799 1.00 30.43 H new ATOM 1412 N PHE A 95 20.792 -10.973 -8.870 1.00 1.21 N ATOM 1413 CA PHE A 95 20.634 -9.674 -8.226 1.00 71.43 C ATOM 1414 C PHE A 95 21.992 -9.083 -7.856 1.00 71.25 C ATOM 1415 O PHE A 95 22.713 -9.627 -7.018 1.00 40.21 O ATOM 1416 CB PHE A 95 19.764 -9.805 -6.975 1.00 71.11 C ATOM 1417 CG PHE A 95 18.497 -10.578 -7.204 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.492 -11.962 -7.134 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.311 -9.922 -7.491 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.328 -12.677 -7.344 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.143 -10.631 -7.702 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.153 -12.011 -7.629 1.00 23.11 C ATOM 0 H PHE A 95 21.244 -11.680 -8.290 1.00 1.21 H new ATOM 0 HA PHE A 95 20.145 -9.002 -8.931 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.341 -10.294 -6.190 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.512 -8.809 -6.612 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.409 -12.488 -6.913 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.299 -8.844 -7.551 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.338 -13.755 -7.285 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.225 -10.107 -7.923 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.243 -12.568 -7.795 1.00 23.11 H new ATOM 1432 N THR A 96 22.334 -7.964 -8.486 1.00 53.44 N ATOM 1433 CA THR A 96 23.605 -7.298 -8.225 1.00 53.12 C ATOM 1434 C THR A 96 23.483 -6.317 -7.064 1.00 30.54 C ATOM 1435 O THR A 96 22.614 -5.446 -7.064 1.00 64.13 O ATOM 1436 CB THR A 96 24.110 -6.544 -9.469 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.127 -7.422 -10.601 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.506 -5.986 -9.234 1.00 22.52 C ATOM 0 H THR A 96 21.749 -7.499 -9.181 1.00 53.44 H new ATOM 0 HA THR A 96 24.323 -8.076 -7.966 1.00 53.12 H new ATOM 0 HB THR A 96 23.431 -5.714 -9.663 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.448 -6.934 -11.388 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.842 -5.458 -10.126 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.485 -5.296 -8.390 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.193 -6.804 -9.017 1.00 22.52 H new ATOM 1446 N ALA A 97 24.361 -6.463 -6.077 1.00 62.01 N ATOM 1447 CA ALA A 97 24.354 -5.587 -4.912 1.00 43.35 C ATOM 1448 C ALA A 97 25.687 -4.862 -4.762 1.00 12.42 C ATOM 1449 O ALA A 97 26.748 -5.488 -4.756 1.00 52.21 O ATOM 1450 CB ALA A 97 24.040 -6.384 -3.655 1.00 10.43 C ATOM 0 H ALA A 97 25.086 -7.180 -6.061 1.00 62.01 H new ATOM 0 HA ALA A 97 23.577 -4.837 -5.057 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.038 -5.717 -2.793 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.060 -6.851 -3.755 1.00 10.43 H new ATOM 0 HB3 ALA A 97 24.797 -7.156 -3.515 1.00 10.43 H new ATOM 1456 N ASN A 98 25.627 -3.541 -4.641 1.00 22.42 N ATOM 1457 CA ASN A 98 26.830 -2.730 -4.492 1.00 70.24 C ATOM 1458 C ASN A 98 26.917 -2.138 -3.089 1.00 0.21 C ATOM 1459 O ASN A 98 27.723 -2.575 -2.267 1.00 44.32 O ATOM 1460 CB ASN A 98 26.848 -1.609 -5.532 1.00 53.32 C ATOM 1461 CG ASN A 98 28.005 -0.651 -5.330 1.00 65.42 C ATOM 1462 OD1 ASN A 98 27.842 0.425 -4.754 1.00 61.01 O ATOM 1463 ND2 ASN A 98 29.183 -1.037 -5.806 1.00 50.32 N ATOM 0 H ASN A 98 24.757 -3.008 -4.643 1.00 22.42 H new ATOM 0 HA ASN A 98 27.694 -3.376 -4.649 1.00 70.24 H new ATOM 0 HB2 ASN A 98 26.910 -2.044 -6.530 1.00 53.32 H new ATOM 0 HB3 ASN A 98 25.910 -1.056 -5.483 1.00 53.32 H new ATOM 0 HD21 ASN A 98 29.998 -0.433 -5.701 1.00 50.32 H new ATOM 0 HD22 ASN A 98 29.273 -1.937 -6.277 1.00 50.32 H new ATOM 1470 N ASP A 99 26.080 -1.141 -2.820 1.00 15.12 N ATOM 1471 CA ASP A 99 26.059 -0.490 -1.516 1.00 4.24 C ATOM 1472 C ASP A 99 24.959 0.566 -1.452 1.00 73.21 C ATOM 1473 O ASP A 99 24.999 1.562 -2.173 1.00 53.11 O ATOM 1474 CB ASP A 99 27.416 0.152 -1.221 1.00 62.12 C ATOM 1475 CG ASP A 99 27.376 1.061 -0.009 1.00 13.14 C ATOM 1476 OD1 ASP A 99 27.049 2.255 -0.173 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 27.670 0.578 1.104 1.00 55.13 O ATOM 0 H ASP A 99 25.407 -0.766 -3.489 1.00 15.12 H new ATOM 0 HA ASP A 99 25.853 -1.250 -0.762 1.00 4.24 H new ATOM 0 HB2 ASP A 99 28.157 -0.631 -1.060 1.00 62.12 H new ATOM 0 HB3 ASP A 99 27.740 0.724 -2.090 1.00 62.12 H new ATOM 1482 N SER A 100 23.977 0.338 -0.587 1.00 64.11 N ATOM 1483 CA SER A 100 22.863 1.266 -0.433 1.00 51.44 C ATOM 1484 C SER A 100 21.929 0.813 0.686 1.00 2.13 C ATOM 1485 O SER A 100 21.611 -0.370 0.804 1.00 24.13 O ATOM 1486 CB SER A 100 22.086 1.385 -1.744 1.00 72.33 C ATOM 1487 OG SER A 100 20.887 2.119 -1.563 1.00 61.25 O ATOM 0 H SER A 100 23.930 -0.482 0.018 1.00 64.11 H new ATOM 0 HA SER A 100 23.270 2.243 -0.170 1.00 51.44 H new ATOM 0 HB2 SER A 100 22.706 1.875 -2.494 1.00 72.33 H new ATOM 0 HB3 SER A 100 21.853 0.390 -2.124 1.00 72.33 H new ATOM 0 HG SER A 100 20.410 2.182 -2.417 1.00 61.25 H new ATOM 1493 N GLY A 101 21.492 1.765 1.505 1.00 42.21 N ATOM 1494 CA GLY A 101 20.599 1.445 2.603 1.00 53.22 C ATOM 1495 C GLY A 101 21.129 0.323 3.473 1.00 10.13 C ATOM 1496 O GLY A 101 22.264 -0.129 3.319 1.00 41.01 O ATOM 0 H GLY A 101 21.740 2.751 1.428 1.00 42.21 H new ATOM 0 HA2 GLY A 101 20.447 2.334 3.215 1.00 53.22 H new ATOM 0 HA3 GLY A 101 19.625 1.162 2.204 1.00 53.22 H new ATOM 1500 N PRO A 102 20.296 -0.146 4.414 1.00 72.31 N ATOM 1501 CA PRO A 102 20.665 -1.227 5.332 1.00 62.41 C ATOM 1502 C PRO A 102 20.779 -2.574 4.625 1.00 55.41 C ATOM 1503 O PRO A 102 20.724 -2.647 3.397 1.00 30.03 O ATOM 1504 CB PRO A 102 19.512 -1.248 6.339 1.00 3.05 C ATOM 1505 CG PRO A 102 18.354 -0.674 5.600 1.00 21.03 C ATOM 1506 CD PRO A 102 18.928 0.345 4.656 1.00 22.35 C ATOM 0 HA PRO A 102 21.642 -1.060 5.786 1.00 62.41 H new ATOM 0 HB2 PRO A 102 19.302 -2.262 6.679 1.00 3.05 H new ATOM 0 HB3 PRO A 102 19.749 -0.658 7.224 1.00 3.05 H new ATOM 0 HG2 PRO A 102 17.815 -1.450 5.056 1.00 21.03 H new ATOM 0 HG3 PRO A 102 17.643 -0.213 6.286 1.00 21.03 H new ATOM 0 HD2 PRO A 102 18.353 0.405 3.732 1.00 22.35 H new ATOM 0 HD3 PRO A 102 18.931 1.343 5.095 1.00 22.35 H new ATOM 1514 N ARG A 103 20.937 -3.636 5.408 1.00 52.42 N ATOM 1515 CA ARG A 103 21.059 -4.980 4.855 1.00 64.24 C ATOM 1516 C ARG A 103 19.872 -5.847 5.266 1.00 1.20 C ATOM 1517 O ARG A 103 20.017 -6.779 6.058 1.00 43.01 O ATOM 1518 CB ARG A 103 22.364 -5.629 5.320 1.00 21.14 C ATOM 1519 CG ARG A 103 22.890 -6.690 4.369 1.00 71.15 C ATOM 1520 CD ARG A 103 24.395 -6.863 4.503 1.00 40.02 C ATOM 1521 NE ARG A 103 25.122 -5.676 4.063 1.00 23.44 N ATOM 1522 CZ ARG A 103 26.437 -5.530 4.192 1.00 72.30 C ATOM 1523 NH1 ARG A 103 27.163 -6.492 4.744 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 27.027 -4.420 3.769 1.00 23.55 N ATOM 0 H ARG A 103 20.984 -3.592 6.426 1.00 52.42 H new ATOM 0 HA ARG A 103 21.069 -4.899 3.768 1.00 64.24 H new ATOM 0 HB2 ARG A 103 23.122 -4.855 5.442 1.00 21.14 H new ATOM 0 HB3 ARG A 103 22.207 -6.078 6.301 1.00 21.14 H new ATOM 0 HG2 ARG A 103 22.394 -7.639 4.572 1.00 71.15 H new ATOM 0 HG3 ARG A 103 22.644 -6.415 3.343 1.00 71.15 H new ATOM 0 HD2 ARG A 103 24.644 -7.077 5.542 1.00 40.02 H new ATOM 0 HD3 ARG A 103 24.715 -7.723 3.915 1.00 40.02 H new ATOM 0 HE ARG A 103 24.592 -4.918 3.633 1.00 23.44 H new ATOM 0 HH11 ARG A 103 26.713 -7.347 5.071 1.00 12.31 H new ATOM 0 HH12 ARG A 103 28.172 -6.377 4.842 1.00 12.31 H new ATOM 0 HH21 ARG A 103 26.472 -3.677 3.344 1.00 23.55 H new ATOM 0 HH22 ARG A 103 28.036 -4.309 3.869 1.00 23.55 H new ATOM 1538 N ARG A 104 18.701 -5.532 4.723 1.00 42.23 N ATOM 1539 CA ARG A 104 17.489 -6.282 5.035 1.00 3.34 C ATOM 1540 C ARG A 104 16.354 -5.896 4.091 1.00 11.24 C ATOM 1541 O ARG A 104 15.792 -4.805 4.194 1.00 3.33 O ATOM 1542 CB ARG A 104 17.069 -6.033 6.485 1.00 1.21 C ATOM 1543 CG ARG A 104 16.957 -4.559 6.842 1.00 52.32 C ATOM 1544 CD ARG A 104 16.888 -4.355 8.347 1.00 23.35 C ATOM 1545 NE ARG A 104 16.939 -2.942 8.710 1.00 23.43 N ATOM 1546 CZ ARG A 104 17.239 -2.506 9.929 1.00 61.22 C ATOM 1547 NH1 ARG A 104 17.512 -3.371 10.897 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 17.265 -1.204 10.183 1.00 61.40 N ATOM 0 H ARG A 104 18.565 -4.764 4.066 1.00 42.23 H new ATOM 0 HA ARG A 104 17.703 -7.343 4.904 1.00 3.34 H new ATOM 0 HB2 ARG A 104 16.108 -6.516 6.664 1.00 1.21 H new ATOM 0 HB3 ARG A 104 17.792 -6.505 7.150 1.00 1.21 H new ATOM 0 HG2 ARG A 104 17.814 -4.020 6.439 1.00 52.32 H new ATOM 0 HG3 ARG A 104 16.067 -4.137 6.375 1.00 52.32 H new ATOM 0 HD2 ARG A 104 15.967 -4.795 8.731 1.00 23.35 H new ATOM 0 HD3 ARG A 104 17.715 -4.882 8.823 1.00 23.35 H new ATOM 0 HE ARG A 104 16.733 -2.251 7.988 1.00 23.43 H new ATOM 0 HH11 ARG A 104 17.492 -4.373 10.706 1.00 21.23 H new ATOM 0 HH12 ARG A 104 17.742 -3.034 11.832 1.00 21.23 H new ATOM 0 HH21 ARG A 104 17.054 -0.536 9.442 1.00 61.40 H new ATOM 0 HH22 ARG A 104 17.495 -0.872 11.119 1.00 61.40 H new ATOM 1562 N TYR A 105 16.022 -6.797 3.174 1.00 64.52 N ATOM 1563 CA TYR A 105 14.957 -6.550 2.210 1.00 43.23 C ATOM 1564 C TYR A 105 14.250 -7.849 1.834 1.00 12.34 C ATOM 1565 O TYR A 105 14.790 -8.940 2.020 1.00 73.32 O ATOM 1566 CB TYR A 105 15.519 -5.881 0.956 1.00 4.01 C ATOM 1567 CG TYR A 105 16.728 -6.587 0.383 1.00 12.10 C ATOM 1568 CD1 TYR A 105 18.002 -6.335 0.877 1.00 71.31 C ATOM 1569 CD2 TYR A 105 16.596 -7.504 -0.653 1.00 32.04 C ATOM 1570 CE1 TYR A 105 19.109 -6.978 0.357 1.00 24.24 C ATOM 1571 CE2 TYR A 105 17.697 -8.151 -1.177 1.00 72.42 C ATOM 1572 CZ TYR A 105 18.952 -7.886 -0.670 1.00 22.41 C ATOM 1573 OH TYR A 105 20.051 -8.527 -1.192 1.00 41.31 O ATOM 0 H TYR A 105 16.475 -7.706 3.078 1.00 64.52 H new ATOM 0 HA TYR A 105 14.230 -5.883 2.674 1.00 43.23 H new ATOM 0 HB2 TYR A 105 14.739 -5.839 0.196 1.00 4.01 H new ATOM 0 HB3 TYR A 105 15.788 -4.852 1.193 1.00 4.01 H new ATOM 0 HD1 TYR A 105 18.129 -5.625 1.681 1.00 71.31 H new ATOM 0 HD2 TYR A 105 15.616 -7.714 -1.055 1.00 32.04 H new ATOM 0 HE1 TYR A 105 20.092 -6.771 0.753 1.00 24.24 H new ATOM 0 HE2 TYR A 105 17.576 -8.862 -1.981 1.00 72.42 H new ATOM 0 HH TYR A 105 19.767 -9.134 -1.907 1.00 41.31 H new ATOM 1583 N THR A 106 13.039 -7.724 1.302 1.00 61.33 N ATOM 1584 CA THR A 106 12.257 -8.886 0.899 1.00 12.11 C ATOM 1585 C THR A 106 11.988 -8.875 -0.602 1.00 32.31 C ATOM 1586 O THR A 106 11.662 -7.835 -1.175 1.00 11.53 O ATOM 1587 CB THR A 106 10.913 -8.946 1.649 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.143 -9.044 3.059 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.085 -10.134 1.182 1.00 20.22 C ATOM 0 H THR A 106 12.578 -6.829 1.140 1.00 61.33 H new ATOM 0 HA THR A 106 12.847 -9.767 1.153 1.00 12.11 H new ATOM 0 HB THR A 106 10.361 -8.031 1.434 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.284 -9.080 3.529 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.141 -10.155 1.726 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.887 -10.042 0.114 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.634 -11.057 1.371 1.00 20.22 H new ATOM 1597 N ILE A 107 12.127 -10.037 -1.232 1.00 71.42 N ATOM 1598 CA ILE A 107 11.896 -10.160 -2.666 1.00 74.04 C ATOM 1599 C ILE A 107 10.603 -10.915 -2.952 1.00 33.14 C ATOM 1600 O ILE A 107 10.464 -12.084 -2.596 1.00 43.14 O ATOM 1601 CB ILE A 107 13.064 -10.881 -3.363 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.373 -10.125 -3.128 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.787 -11.021 -4.853 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.357 -8.709 -3.663 1.00 2.32 C ATOM 0 H ILE A 107 12.398 -10.906 -0.772 1.00 71.42 H new ATOM 0 HA ILE A 107 11.817 -9.147 -3.061 1.00 74.04 H new ATOM 0 HB ILE A 107 13.161 -11.879 -2.936 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.581 -10.098 -2.058 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.189 -10.673 -3.598 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.622 -11.533 -5.332 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.875 -11.599 -5.001 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.666 -10.032 -5.295 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.317 -8.233 -3.461 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.180 -8.728 -4.738 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.562 -8.145 -3.175 1.00 2.32 H new ATOM 1616 N ALA A 108 9.660 -10.238 -3.600 1.00 44.40 N ATOM 1617 CA ALA A 108 8.379 -10.846 -3.938 1.00 61.41 C ATOM 1618 C ALA A 108 8.408 -11.441 -5.342 1.00 62.14 C ATOM 1619 O ALA A 108 8.530 -10.719 -6.330 1.00 70.45 O ATOM 1620 CB ALA A 108 7.260 -9.822 -3.819 1.00 74.04 C ATOM 0 H ALA A 108 9.759 -9.269 -3.901 1.00 44.40 H new ATOM 0 HA ALA A 108 8.191 -11.655 -3.232 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.309 -10.290 -4.074 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.217 -9.448 -2.796 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.451 -8.993 -4.501 1.00 74.04 H new ATOM 1626 N ALA A 109 8.294 -12.763 -5.422 1.00 63.14 N ATOM 1627 CA ALA A 109 8.306 -13.455 -6.705 1.00 74.21 C ATOM 1628 C ALA A 109 7.027 -14.262 -6.906 1.00 35.54 C ATOM 1629 O ALA A 109 6.503 -14.855 -5.963 1.00 62.10 O ATOM 1630 CB ALA A 109 9.524 -14.361 -6.805 1.00 25.13 C ATOM 0 H ALA A 109 8.192 -13.376 -4.613 1.00 63.14 H new ATOM 0 HA ALA A 109 8.359 -12.704 -7.494 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.520 -14.871 -7.768 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.431 -13.763 -6.715 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.495 -15.099 -6.003 1.00 25.13 H new ATOM 1636 N MET A 110 6.530 -14.276 -8.138 1.00 70.32 N ATOM 1637 CA MET A 110 5.311 -15.010 -8.461 1.00 45.12 C ATOM 1638 C MET A 110 5.598 -16.123 -9.465 1.00 15.33 C ATOM 1639 O MET A 110 6.449 -15.977 -10.342 1.00 41.41 O ATOM 1640 CB MET A 110 4.253 -14.061 -9.024 1.00 74.03 C ATOM 1641 CG MET A 110 3.467 -13.323 -7.951 1.00 13.10 C ATOM 1642 SD MET A 110 1.724 -13.134 -8.373 1.00 31.04 S ATOM 1643 CE MET A 110 0.953 -14.060 -7.048 1.00 0.14 C ATOM 0 H MET A 110 6.951 -13.788 -8.929 1.00 70.32 H new ATOM 0 HA MET A 110 4.933 -15.460 -7.543 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.739 -13.332 -9.673 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.560 -14.629 -9.645 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.552 -13.863 -7.008 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.908 -12.338 -7.796 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.087 -14.265 -7.304 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.484 -15.001 -6.905 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.992 -13.478 -6.127 1.00 0.14 H new ATOM 1653 N LEU A 111 4.882 -17.234 -9.329 1.00 31.10 N ATOM 1654 CA LEU A 111 5.060 -18.372 -10.224 1.00 3.04 C ATOM 1655 C LEU A 111 3.914 -18.460 -11.228 1.00 63.32 C ATOM 1656 O LEU A 111 2.746 -18.528 -10.846 1.00 10.01 O ATOM 1657 CB LEU A 111 5.148 -19.670 -9.419 1.00 34.42 C ATOM 1658 CG LEU A 111 6.558 -20.191 -9.138 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.460 -19.061 -8.664 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.517 -21.311 -8.109 1.00 11.55 C ATOM 0 H LEU A 111 4.173 -17.371 -8.608 1.00 31.10 H new ATOM 0 HA LEU A 111 5.990 -18.228 -10.774 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.642 -19.518 -8.466 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.596 -20.443 -9.953 1.00 34.42 H new ATOM 0 HG LEU A 111 6.969 -20.591 -10.065 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.459 -19.450 -8.469 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.514 -18.292 -9.434 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.053 -18.630 -7.749 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.529 -21.670 -7.921 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.087 -20.936 -7.180 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.906 -22.130 -8.487 1.00 11.55 H new ATOM 1672 N SER A 112 4.258 -18.458 -12.512 1.00 73.51 N ATOM 1673 CA SER A 112 3.258 -18.536 -13.571 1.00 51.32 C ATOM 1674 C SER A 112 3.845 -19.172 -14.827 1.00 24.21 C ATOM 1675 O SER A 112 4.461 -18.507 -15.660 1.00 14.52 O ATOM 1676 CB SER A 112 2.719 -17.141 -13.895 1.00 2.41 C ATOM 1677 OG SER A 112 3.616 -16.135 -13.460 1.00 5.42 O ATOM 0 H SER A 112 5.221 -18.403 -12.844 1.00 73.51 H new ATOM 0 HA SER A 112 2.438 -19.162 -13.218 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.559 -17.050 -14.969 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.750 -17.001 -13.415 1.00 2.41 H new ATOM 0 HG SER A 112 3.906 -15.601 -14.229 1.00 5.42 H new ATOM 1683 N PRO A 113 3.652 -20.491 -14.967 1.00 54.43 N ATOM 1684 CA PRO A 113 4.153 -21.248 -16.118 1.00 23.13 C ATOM 1685 C PRO A 113 3.412 -20.903 -17.405 1.00 42.52 C ATOM 1686 O PRO A 113 4.018 -20.799 -18.472 1.00 32.13 O ATOM 1687 CB PRO A 113 3.895 -22.704 -15.726 1.00 11.42 C ATOM 1688 CG PRO A 113 2.762 -22.641 -14.760 1.00 14.31 C ATOM 1689 CD PRO A 113 2.927 -21.347 -14.012 1.00 11.21 C ATOM 0 HA PRO A 113 5.200 -21.028 -16.325 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.640 -23.309 -16.596 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.778 -23.154 -15.272 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.804 -22.672 -15.279 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.783 -23.491 -14.078 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.964 -20.916 -13.737 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.490 -21.485 -13.089 1.00 11.21 H new ATOM 1697 N TYR A 114 2.100 -20.727 -17.298 1.00 23.21 N ATOM 1698 CA TYR A 114 1.277 -20.395 -18.454 1.00 4.41 C ATOM 1699 C TYR A 114 1.431 -18.925 -18.830 1.00 5.12 C ATOM 1700 O TYR A 114 1.533 -18.581 -20.008 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.193 -20.708 -18.166 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.417 -22.088 -17.592 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.405 -23.212 -18.410 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.644 -22.270 -16.234 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.610 -24.475 -17.890 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.849 -23.529 -15.705 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.831 -24.629 -16.537 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.036 -25.885 -16.015 1.00 44.10 O ATOM 0 H TYR A 114 1.584 -20.809 -16.422 1.00 23.21 H new ATOM 0 HA TYR A 114 1.614 -21.002 -19.294 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.584 -19.966 -17.470 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.764 -20.611 -19.089 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.233 -23.096 -19.470 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.661 -21.411 -15.580 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.597 -25.338 -18.539 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -1.022 -23.652 -14.646 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.175 -25.818 -15.047 1.00 44.10 H new ATOM 1718 N SER A 115 1.450 -18.061 -17.820 1.00 54.30 N ATOM 1719 CA SER A 115 1.589 -16.627 -18.044 1.00 50.32 C ATOM 1720 C SER A 115 3.056 -16.208 -17.986 1.00 24.11 C ATOM 1721 O SER A 115 3.940 -17.036 -17.767 1.00 43.12 O ATOM 1722 CB SER A 115 0.783 -15.847 -17.003 1.00 73.32 C ATOM 1723 OG SER A 115 -0.563 -15.687 -17.416 1.00 23.24 O ATOM 0 H SER A 115 1.371 -18.329 -16.839 1.00 54.30 H new ATOM 0 HA SER A 115 1.203 -16.400 -19.038 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.814 -16.371 -16.048 1.00 73.32 H new ATOM 0 HB3 SER A 115 1.237 -14.869 -16.845 1.00 73.32 H new ATOM 0 HG SER A 115 -1.057 -15.187 -16.733 1.00 23.24 H new ATOM 1729 N TYR A 116 3.304 -14.919 -18.184 1.00 51.11 N ATOM 1730 CA TYR A 116 4.662 -14.389 -18.158 1.00 44.22 C ATOM 1731 C TYR A 116 5.233 -14.426 -16.744 1.00 31.31 C ATOM 1732 O TYR A 116 4.493 -14.518 -15.765 1.00 23.43 O ATOM 1733 CB TYR A 116 4.683 -12.956 -18.692 1.00 65.40 C ATOM 1734 CG TYR A 116 4.107 -11.942 -17.729 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.733 -11.797 -17.582 1.00 11.14 C ATOM 1736 CD2 TYR A 116 4.936 -11.132 -16.964 1.00 61.42 C ATOM 1737 CE1 TYR A 116 2.202 -10.873 -16.703 1.00 2.33 C ATOM 1738 CE2 TYR A 116 4.414 -10.205 -16.082 1.00 43.15 C ATOM 1739 CZ TYR A 116 3.047 -10.078 -15.955 1.00 73.22 C ATOM 1740 OH TYR A 116 2.523 -9.158 -15.078 1.00 0.32 O ATOM 0 H TYR A 116 2.582 -14.221 -18.364 1.00 51.11 H new ATOM 0 HA TYR A 116 5.283 -15.016 -18.798 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.711 -12.679 -18.926 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.122 -12.917 -19.626 1.00 65.40 H new ATOM 0 HD1 TYR A 116 2.069 -12.417 -18.165 1.00 11.14 H new ATOM 0 HD2 TYR A 116 6.007 -11.228 -17.060 1.00 61.42 H new ATOM 0 HE1 TYR A 116 1.131 -10.773 -16.602 1.00 2.33 H new ATOM 0 HE2 TYR A 116 5.074 -9.583 -15.495 1.00 43.15 H new ATOM 0 HH TYR A 116 3.252 -8.681 -14.630 1.00 0.32 H new ATOM 1750 N SER A 117 6.557 -14.353 -16.646 1.00 62.40 N ATOM 1751 CA SER A 117 7.231 -14.381 -15.353 1.00 41.11 C ATOM 1752 C SER A 117 6.992 -13.084 -14.588 1.00 1.43 C ATOM 1753 O SER A 117 7.085 -11.991 -15.149 1.00 74.14 O ATOM 1754 CB SER A 117 8.732 -14.607 -15.541 1.00 43.31 C ATOM 1755 OG SER A 117 9.217 -13.902 -16.670 1.00 60.44 O ATOM 0 H SER A 117 7.184 -14.274 -17.447 1.00 62.40 H new ATOM 0 HA SER A 117 6.817 -15.206 -14.773 1.00 41.11 H new ATOM 0 HB2 SER A 117 9.266 -14.282 -14.648 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.930 -15.672 -15.661 1.00 43.31 H new ATOM 0 HG SER A 117 10.179 -14.062 -16.767 1.00 60.44 H new ATOM 1761 N THR A 118 6.684 -13.210 -13.300 1.00 44.23 N ATOM 1762 CA THR A 118 6.430 -12.049 -12.458 1.00 62.12 C ATOM 1763 C THR A 118 7.410 -11.992 -11.291 1.00 51.22 C ATOM 1764 O THR A 118 7.463 -12.906 -10.468 1.00 52.03 O ATOM 1765 CB THR A 118 4.993 -12.058 -11.905 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.446 -13.380 -11.985 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.109 -11.091 -12.679 1.00 30.23 C ATOM 0 H THR A 118 6.605 -14.106 -12.818 1.00 44.23 H new ATOM 0 HA THR A 118 6.564 -11.168 -13.086 1.00 62.12 H new ATOM 0 HB THR A 118 5.026 -11.741 -10.863 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.533 -13.378 -11.630 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.099 -11.115 -12.270 1.00 30.23 H new ATOM 0 HG22 THR A 118 4.512 -10.082 -12.593 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.083 -11.383 -13.729 1.00 30.23 H new ATOM 1775 N MET A 119 8.183 -10.914 -11.225 1.00 51.10 N ATOM 1776 CA MET A 119 9.161 -10.738 -10.158 1.00 43.42 C ATOM 1777 C MET A 119 9.134 -9.308 -9.626 1.00 2.14 C ATOM 1778 O MET A 119 8.721 -8.384 -10.326 1.00 61.44 O ATOM 1779 CB MET A 119 10.564 -11.082 -10.660 1.00 20.41 C ATOM 1780 CG MET A 119 11.481 -11.628 -9.576 1.00 61.24 C ATOM 1781 SD MET A 119 11.540 -13.430 -9.560 1.00 43.35 S ATOM 1782 CE MET A 119 12.994 -13.711 -8.551 1.00 1.53 C ATOM 0 H MET A 119 8.151 -10.148 -11.898 1.00 51.10 H new ATOM 0 HA MET A 119 8.899 -11.414 -9.344 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.484 -11.817 -11.461 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.016 -10.189 -11.091 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.487 -11.237 -9.726 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.141 -11.271 -8.604 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.257 -14.768 -8.578 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.825 -13.120 -8.937 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.786 -13.416 -7.523 1.00 1.53 H new ATOM 1792 N ALA A 120 9.578 -9.134 -8.386 1.00 51.45 N ATOM 1793 CA ALA A 120 9.606 -7.817 -7.762 1.00 71.34 C ATOM 1794 C ALA A 120 10.876 -7.626 -6.940 1.00 72.32 C ATOM 1795 O ALA A 120 11.118 -8.350 -5.975 1.00 32.22 O ATOM 1796 CB ALA A 120 8.376 -7.620 -6.889 1.00 12.35 C ATOM 0 H ALA A 120 9.923 -9.889 -7.793 1.00 51.45 H new ATOM 0 HA ALA A 120 9.600 -7.067 -8.553 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.410 -6.632 -6.429 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.478 -7.704 -7.501 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.357 -8.382 -6.110 1.00 12.35 H new ATOM 1802 N VAL A 121 11.686 -6.647 -7.331 1.00 53.02 N ATOM 1803 CA VAL A 121 12.932 -6.361 -6.631 1.00 21.22 C ATOM 1804 C VAL A 121 12.795 -5.125 -5.747 1.00 45.24 C ATOM 1805 O VAL A 121 12.628 -4.011 -6.241 1.00 55.42 O ATOM 1806 CB VAL A 121 14.094 -6.144 -7.618 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.415 -6.024 -6.871 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.148 -7.277 -8.633 1.00 33.42 C ATOM 0 H VAL A 121 11.501 -6.039 -8.129 1.00 53.02 H new ATOM 0 HA VAL A 121 13.151 -7.229 -6.008 1.00 21.22 H new ATOM 0 HB VAL A 121 13.922 -5.211 -8.155 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.224 -5.871 -7.585 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.370 -5.177 -6.186 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.598 -6.938 -6.306 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.975 -7.108 -9.323 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.296 -8.224 -8.114 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.212 -7.311 -9.190 1.00 33.42 H new ATOM 1818 N VAL A 122 12.866 -5.332 -4.436 1.00 24.04 N ATOM 1819 CA VAL A 122 12.750 -4.235 -3.482 1.00 52.24 C ATOM 1820 C VAL A 122 14.124 -3.752 -3.030 1.00 2.02 C ATOM 1821 O VAL A 122 14.898 -4.509 -2.443 1.00 64.54 O ATOM 1822 CB VAL A 122 11.933 -4.651 -2.245 1.00 41.24 C ATOM 1823 CG1 VAL A 122 11.659 -3.447 -1.357 1.00 71.54 C ATOM 1824 CG2 VAL A 122 10.633 -5.319 -2.666 1.00 53.13 C ATOM 0 H VAL A 122 13.003 -6.249 -4.010 1.00 24.04 H new ATOM 0 HA VAL A 122 12.233 -3.424 -3.994 1.00 52.24 H new ATOM 0 HB VAL A 122 12.516 -5.371 -1.671 1.00 41.24 H new ATOM 0 HG11 VAL A 122 11.081 -3.760 -0.488 1.00 71.54 H new ATOM 0 HG12 VAL A 122 12.604 -3.015 -1.028 1.00 71.54 H new ATOM 0 HG13 VAL A 122 11.096 -2.702 -1.918 1.00 71.54 H new ATOM 0 HG21 VAL A 122 10.068 -5.607 -1.779 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.043 -4.623 -3.262 1.00 53.13 H new ATOM 0 HG23 VAL A 122 10.855 -6.207 -3.258 1.00 53.13 H new ATOM 1834 N THR A 123 14.422 -2.487 -3.309 1.00 65.41 N ATOM 1835 CA THR A 123 15.704 -1.903 -2.932 1.00 45.23 C ATOM 1836 C THR A 123 15.632 -1.266 -1.550 1.00 73.22 C ATOM 1837 O THR A 123 14.749 -0.456 -1.275 1.00 50.41 O ATOM 1838 CB THR A 123 16.159 -0.841 -3.952 1.00 11.34 C ATOM 1839 OG1 THR A 123 15.239 0.256 -3.959 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.254 -1.438 -5.348 1.00 1.51 C ATOM 0 H THR A 123 13.793 -1.847 -3.795 1.00 65.41 H new ATOM 0 HA THR A 123 16.430 -2.716 -2.917 1.00 45.23 H new ATOM 0 HB THR A 123 17.146 -0.485 -3.658 1.00 11.34 H new ATOM 0 HG1 THR A 123 14.757 0.284 -3.106 1.00 23.43 H new ATOM 0 HG21 THR A 123 16.577 -0.670 -6.051 1.00 1.51 H new ATOM 0 HG22 THR A 123 16.976 -2.255 -5.346 1.00 1.51 H new ATOM 0 HG23 THR A 123 15.277 -1.818 -5.649 1.00 1.51 H new ATOM 1848 N ASN A 124 16.568 -1.637 -0.683 1.00 2.14 N ATOM 1849 CA ASN A 124 16.612 -1.100 0.672 1.00 14.35 C ATOM 1850 C ASN A 124 16.565 0.424 0.655 1.00 21.24 C ATOM 1851 O ASN A 124 16.886 1.070 -0.342 1.00 34.35 O ATOM 1852 CB ASN A 124 17.875 -1.575 1.392 1.00 43.11 C ATOM 1853 CG ASN A 124 19.087 -1.597 0.479 1.00 33.41 C ATOM 1854 OD1 ASN A 124 19.289 -0.686 -0.323 1.00 65.11 O ATOM 1855 ND2 ASN A 124 19.898 -2.641 0.599 1.00 53.22 N ATOM 0 H ASN A 124 17.307 -2.308 -0.895 1.00 2.14 H new ATOM 0 HA ASN A 124 15.737 -1.467 1.209 1.00 14.35 H new ATOM 0 HB2 ASN A 124 18.074 -0.920 2.240 1.00 43.11 H new ATOM 0 HB3 ASN A 124 17.707 -2.575 1.793 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.729 -2.711 0.012 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.690 -3.373 1.278 1.00 53.22 H new ATOM 1862 N PRO A 125 16.156 1.017 1.788 1.00 1.24 N ATOM 1863 CA PRO A 125 16.059 2.473 1.929 1.00 4.12 C ATOM 1864 C PRO A 125 17.427 3.145 1.957 1.00 22.32 C ATOM 1865 O PRO A 125 18.142 3.081 2.956 1.00 40.34 O ATOM 1866 CB PRO A 125 15.349 2.652 3.273 1.00 23.43 C ATOM 1867 CG PRO A 125 15.663 1.412 4.036 1.00 21.31 C ATOM 1868 CD PRO A 125 15.757 0.310 3.017 1.00 10.43 C ATOM 0 HA PRO A 125 15.535 2.930 1.089 1.00 4.12 H new ATOM 0 HB2 PRO A 125 15.707 3.539 3.795 1.00 23.43 H new ATOM 0 HB3 PRO A 125 14.274 2.773 3.140 1.00 23.43 H new ATOM 0 HG2 PRO A 125 16.599 1.518 4.584 1.00 21.31 H new ATOM 0 HG3 PRO A 125 14.886 1.199 4.771 1.00 21.31 H new ATOM 0 HD2 PRO A 125 16.492 -0.442 3.305 1.00 10.43 H new ATOM 0 HD3 PRO A 125 14.805 -0.206 2.893 1.00 10.43 H new ATOM 1876 N LYS A 126 17.787 3.790 0.851 1.00 1.50 N ATOM 1877 CA LYS A 126 19.069 4.476 0.749 1.00 65.42 C ATOM 1878 C LYS A 126 19.121 5.676 1.690 1.00 33.33 C ATOM 1879 O LYS A 126 20.175 6.003 2.234 1.00 12.21 O ATOM 1880 CB LYS A 126 19.312 4.933 -0.692 1.00 4.33 C ATOM 1881 CG LYS A 126 18.208 5.819 -1.243 1.00 21.32 C ATOM 1882 CD LYS A 126 18.482 7.288 -0.969 1.00 73.25 C ATOM 1883 CE LYS A 126 19.071 7.982 -2.187 1.00 21.43 C ATOM 1884 NZ LYS A 126 18.058 8.170 -3.263 1.00 72.12 N1+ ATOM 0 H LYS A 126 17.208 3.851 0.013 1.00 1.50 H new ATOM 0 HA LYS A 126 19.852 3.776 1.039 1.00 65.42 H new ATOM 0 HB2 LYS A 126 20.257 5.473 -0.738 1.00 4.33 H new ATOM 0 HB3 LYS A 126 19.415 4.055 -1.330 1.00 4.33 H new ATOM 0 HG2 LYS A 126 18.115 5.660 -2.317 1.00 21.32 H new ATOM 0 HG3 LYS A 126 17.256 5.536 -0.795 1.00 21.32 H new ATOM 0 HD2 LYS A 126 17.556 7.784 -0.679 1.00 73.25 H new ATOM 0 HD3 LYS A 126 19.170 7.380 -0.128 1.00 73.25 H new ATOM 0 HE2 LYS A 126 19.473 8.952 -1.893 1.00 21.43 H new ATOM 0 HE3 LYS A 126 19.905 7.395 -2.572 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 18.391 8.894 -3.931 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 17.917 7.272 -3.768 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 17.157 8.475 -2.842 1.00 72.12 H new ATOM 1898 N GLU A 127 17.977 6.326 1.877 1.00 63.52 N ATOM 1899 CA GLU A 127 17.894 7.488 2.753 1.00 4.22 C ATOM 1900 C GLU A 127 17.869 7.065 4.218 1.00 54.22 C ATOM 1901 O GLU A 127 17.870 5.874 4.530 1.00 33.32 O ATOM 1902 CB GLU A 127 16.646 8.312 2.428 1.00 12.12 C ATOM 1903 CG GLU A 127 15.353 7.521 2.524 1.00 23.42 C ATOM 1904 CD GLU A 127 14.126 8.412 2.572 1.00 72.31 C ATOM 1905 OE1 GLU A 127 13.844 8.973 3.652 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 13.449 8.547 1.532 1.00 54.12 O ATOM 0 H GLU A 127 17.095 6.068 1.434 1.00 63.52 H new ATOM 0 HA GLU A 127 18.780 8.101 2.585 1.00 4.22 H new ATOM 0 HB2 GLU A 127 16.594 9.161 3.109 1.00 12.12 H new ATOM 0 HB3 GLU A 127 16.740 8.717 1.420 1.00 12.12 H new ATOM 0 HG2 GLU A 127 15.277 6.850 1.668 1.00 23.42 H new ATOM 0 HG3 GLU A 127 15.379 6.896 3.417 1.00 23.42 H new TER 1913 GLU A 127