USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 710 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 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc=-0.00952 USER MOD Single : A 22 THR OG1 : rot 24:sc= 0.186 USER MOD Single : A 25 HIS : no HE2:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 98:sc= -0.096 USER MOD Single : A 30 GLN : amide:sc= -0.339 K(o=-0.34,f=-0.93) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.989 USER MOD Single : A 36 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : A 38 ASN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.126 (180deg=-0.715) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.00419 K(o=0.0042,f=-0.69) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 82 GLN : amide:sc= -1.04 K(o=-1,f=-4.3!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.481 USER MOD Single : A 86 GLN : amide:sc= -0.547 K(o=-0.55,f=-5.2!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1 K(o=-1,f=-2.8) USER MOD Single : A 100 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.7!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 3.567 4.808 -2.204 1.00 3.02 N ATOM 2 CA THR A 22 4.061 3.589 -2.831 1.00 71.22 C ATOM 3 C THR A 22 2.998 2.961 -3.725 1.00 52.35 C ATOM 4 O THR A 22 2.468 1.887 -3.441 1.00 12.12 O ATOM 5 CB THR A 22 4.505 2.556 -1.779 1.00 22.53 C ATOM 6 OG1 THR A 22 5.381 3.171 -0.827 1.00 72.12 O ATOM 7 CG2 THR A 22 5.211 1.380 -2.438 1.00 55.13 C ATOM 0 HA THR A 22 4.921 3.872 -3.437 1.00 71.22 H new ATOM 0 HB THR A 22 3.616 2.186 -1.269 1.00 22.53 H new ATOM 0 HG1 THR A 22 5.218 4.137 -0.809 1.00 72.12 H new ATOM 0 HG21 THR A 22 5.515 0.664 -1.675 1.00 55.13 H new ATOM 0 HG22 THR A 22 4.533 0.896 -3.140 1.00 55.13 H new ATOM 0 HG23 THR A 22 6.092 1.737 -2.972 1.00 55.13 H new ATOM 15 N PRO A 23 2.677 3.645 -4.834 1.00 63.11 N ATOM 16 CA PRO A 23 1.675 3.172 -5.794 1.00 1.03 C ATOM 17 C PRO A 23 2.147 1.946 -6.568 1.00 41.11 C ATOM 18 O PRO A 23 3.069 2.013 -7.382 1.00 15.01 O ATOM 19 CB PRO A 23 1.497 4.364 -6.737 1.00 12.31 C ATOM 20 CG PRO A 23 2.781 5.114 -6.647 1.00 62.21 C ATOM 21 CD PRO A 23 3.269 4.932 -5.236 1.00 71.04 C ATOM 0 HA PRO A 23 0.754 2.860 -5.301 1.00 1.03 H new ATOM 0 HB2 PRO A 23 1.301 4.035 -7.758 1.00 12.31 H new ATOM 0 HB3 PRO A 23 0.654 4.985 -6.435 1.00 12.31 H new ATOM 0 HG2 PRO A 23 3.508 4.731 -7.364 1.00 62.21 H new ATOM 0 HG3 PRO A 23 2.633 6.169 -6.876 1.00 62.21 H new ATOM 0 HD2 PRO A 23 4.358 4.906 -5.187 1.00 71.04 H new ATOM 0 HD3 PRO A 23 2.940 5.745 -4.589 1.00 71.04 H new ATOM 29 N PRO A 24 1.502 0.798 -6.311 1.00 41.53 N ATOM 30 CA PRO A 24 1.839 -0.464 -6.975 1.00 74.43 C ATOM 31 C PRO A 24 1.454 -0.464 -8.451 1.00 33.12 C ATOM 32 O PRO A 24 0.765 0.441 -8.923 1.00 35.22 O ATOM 33 CB PRO A 24 1.013 -1.500 -6.208 1.00 0.25 C ATOM 34 CG PRO A 24 -0.134 -0.731 -5.649 1.00 54.12 C ATOM 35 CD PRO A 24 0.394 0.645 -5.353 1.00 41.45 C ATOM 0 HA PRO A 24 2.912 -0.658 -6.961 1.00 74.43 H new ATOM 0 HB2 PRO A 24 0.671 -2.299 -6.866 1.00 0.25 H new ATOM 0 HB3 PRO A 24 1.600 -1.967 -5.417 1.00 0.25 H new ATOM 0 HG2 PRO A 24 -0.958 -0.688 -6.361 1.00 54.12 H new ATOM 0 HG3 PRO A 24 -0.518 -1.204 -4.745 1.00 54.12 H new ATOM 0 HD2 PRO A 24 -0.370 1.408 -5.497 1.00 41.45 H new ATOM 0 HD3 PRO A 24 0.739 0.730 -4.323 1.00 41.45 H new ATOM 43 N HIS A 25 1.903 -1.484 -9.175 1.00 72.30 N ATOM 44 CA HIS A 25 1.604 -1.602 -10.598 1.00 10.12 C ATOM 45 C HIS A 25 0.457 -2.580 -10.833 1.00 62.31 C ATOM 46 O HIS A 25 0.658 -3.795 -10.859 1.00 22.11 O ATOM 47 CB HIS A 25 2.845 -2.059 -11.365 1.00 41.31 C ATOM 48 CG HIS A 25 2.610 -2.236 -12.834 1.00 11.44 C ATOM 49 ND1 HIS A 25 2.044 -3.371 -13.374 1.00 31.13 N ATOM 50 CD2 HIS A 25 2.866 -1.412 -13.877 1.00 22.12 C ATOM 51 CE1 HIS A 25 1.964 -3.239 -14.686 1.00 32.13 C ATOM 52 NE2 HIS A 25 2.456 -2.059 -15.017 1.00 12.24 N ATOM 0 H HIS A 25 2.475 -2.241 -8.800 1.00 72.30 H new ATOM 0 HA HIS A 25 1.301 -0.621 -10.963 1.00 10.12 H new ATOM 0 HB2 HIS A 25 3.642 -1.330 -11.218 1.00 41.31 H new ATOM 0 HB3 HIS A 25 3.195 -3.002 -10.945 1.00 41.31 H new ATOM 0 HD1 HIS A 25 1.735 -4.186 -12.843 1.00 31.13 H new ATOM 0 HD2 HIS A 25 3.310 -0.429 -13.823 1.00 22.12 H new ATOM 0 HE1 HIS A 25 1.564 -3.972 -15.371 1.00 32.13 H new ATOM 60 N THR A 26 -0.747 -2.043 -11.004 1.00 31.43 N ATOM 61 CA THR A 26 -1.926 -2.869 -11.235 1.00 10.54 C ATOM 62 C THR A 26 -2.680 -2.414 -12.479 1.00 62.23 C ATOM 63 O THR A 26 -3.895 -2.226 -12.445 1.00 12.40 O ATOM 64 CB THR A 26 -2.882 -2.832 -10.028 1.00 32.55 C ATOM 65 OG1 THR A 26 -2.993 -1.494 -9.530 1.00 71.32 O ATOM 66 CG2 THR A 26 -2.390 -3.751 -8.920 1.00 20.43 C ATOM 0 H THR A 26 -0.931 -1.040 -10.987 1.00 31.43 H new ATOM 0 HA THR A 26 -1.574 -3.890 -11.380 1.00 10.54 H new ATOM 0 HB THR A 26 -3.861 -3.178 -10.358 1.00 32.55 H new ATOM 0 HG1 THR A 26 -3.604 -1.480 -8.764 1.00 71.32 H new ATOM 0 HG21 THR A 26 -3.081 -3.708 -8.078 1.00 20.43 H new ATOM 0 HG22 THR A 26 -2.335 -4.774 -9.293 1.00 20.43 H new ATOM 0 HG23 THR A 26 -1.401 -3.430 -8.594 1.00 20.43 H new ATOM 74 N GLU A 27 -1.950 -2.241 -13.577 1.00 73.11 N ATOM 75 CA GLU A 27 -2.552 -1.809 -14.833 1.00 11.40 C ATOM 76 C GLU A 27 -3.156 -0.414 -14.695 1.00 0.00 C ATOM 77 O GLU A 27 -3.543 0.018 -13.609 1.00 25.02 O ATOM 78 CB GLU A 27 -3.629 -2.801 -15.277 1.00 1.03 C ATOM 79 CG GLU A 27 -3.156 -4.245 -15.293 1.00 15.05 C ATOM 80 CD GLU A 27 -4.107 -5.178 -14.567 1.00 40.24 C ATOM 81 OE1 GLU A 27 -4.590 -4.804 -13.478 1.00 62.51 O ATOM 82 OE2 GLU A 27 -4.368 -6.282 -15.090 1.00 50.43 O ATOM 0 H GLU A 27 -0.942 -2.393 -13.622 1.00 73.11 H new ATOM 0 HA GLU A 27 -1.767 -1.774 -15.589 1.00 11.40 H new ATOM 0 HB2 GLU A 27 -4.487 -2.716 -14.610 1.00 1.03 H new ATOM 0 HB3 GLU A 27 -3.973 -2.529 -16.275 1.00 1.03 H new ATOM 0 HG2 GLU A 27 -3.046 -4.576 -16.326 1.00 15.05 H new ATOM 0 HG3 GLU A 27 -2.170 -4.306 -14.832 1.00 15.05 H new ATOM 89 N PRO A 28 -3.239 0.309 -15.822 1.00 20.50 N ATOM 90 CA PRO A 28 -3.794 1.665 -15.854 1.00 34.23 C ATOM 91 C PRO A 28 -5.301 1.680 -15.617 1.00 4.12 C ATOM 92 O PRO A 28 -5.956 0.639 -15.658 1.00 24.32 O ATOM 93 CB PRO A 28 -3.471 2.148 -17.270 1.00 21.52 C ATOM 94 CG PRO A 28 -3.357 0.901 -18.078 1.00 50.31 C ATOM 95 CD PRO A 28 -2.798 -0.143 -17.152 1.00 65.12 C ATOM 0 HA PRO A 28 -3.376 2.295 -15.069 1.00 34.23 H new ATOM 0 HB2 PRO A 28 -4.256 2.799 -17.655 1.00 21.52 H new ATOM 0 HB3 PRO A 28 -2.543 2.720 -17.291 1.00 21.52 H new ATOM 0 HG2 PRO A 28 -4.329 0.598 -18.467 1.00 50.31 H new ATOM 0 HG3 PRO A 28 -2.703 1.051 -18.937 1.00 50.31 H new ATOM 0 HD2 PRO A 28 -3.182 -1.136 -17.387 1.00 65.12 H new ATOM 0 HD3 PRO A 28 -1.711 -0.198 -17.218 1.00 65.12 H new ATOM 103 N SER A 29 -5.844 2.868 -15.369 1.00 72.45 N ATOM 104 CA SER A 29 -7.273 3.018 -15.123 1.00 35.43 C ATOM 105 C SER A 29 -7.790 4.331 -15.703 1.00 71.40 C ATOM 106 O SER A 29 -7.331 5.409 -15.328 1.00 55.44 O ATOM 107 CB SER A 29 -7.562 2.962 -13.621 1.00 61.03 C ATOM 108 OG SER A 29 -8.069 4.200 -13.153 1.00 61.32 O ATOM 0 H SER A 29 -5.316 3.740 -15.333 1.00 72.45 H new ATOM 0 HA SER A 29 -7.790 2.195 -15.617 1.00 35.43 H new ATOM 0 HB2 SER A 29 -8.282 2.170 -13.415 1.00 61.03 H new ATOM 0 HB3 SER A 29 -6.649 2.712 -13.081 1.00 61.03 H new ATOM 0 HG SER A 29 -9.047 4.156 -13.105 1.00 61.32 H new ATOM 114 N GLN A 30 -8.747 4.229 -16.620 1.00 12.24 N ATOM 115 CA GLN A 30 -9.326 5.408 -17.253 1.00 11.33 C ATOM 116 C GLN A 30 -10.703 5.716 -16.674 1.00 1.44 C ATOM 117 O GLN A 30 -11.522 6.378 -17.311 1.00 73.35 O ATOM 118 CB GLN A 30 -9.430 5.202 -18.765 1.00 12.02 C ATOM 119 CG GLN A 30 -8.183 4.592 -19.383 1.00 25.11 C ATOM 120 CD GLN A 30 -8.203 4.630 -20.898 1.00 54.42 C ATOM 121 OE1 GLN A 30 -9.188 5.051 -21.507 1.00 3.44 O ATOM 122 NE2 GLN A 30 -7.114 4.190 -21.517 1.00 0.21 N ATOM 0 H GLN A 30 -9.137 3.343 -16.941 1.00 12.24 H new ATOM 0 HA GLN A 30 -8.670 6.255 -17.053 1.00 11.33 H new ATOM 0 HB2 GLN A 30 -10.283 4.558 -18.978 1.00 12.02 H new ATOM 0 HB3 GLN A 30 -9.629 6.162 -19.241 1.00 12.02 H new ATOM 0 HG2 GLN A 30 -7.305 5.127 -19.022 1.00 25.11 H new ATOM 0 HG3 GLN A 30 -8.086 3.558 -19.051 1.00 25.11 H new ATOM 0 HE21 GLN A 30 -6.321 3.850 -20.973 1.00 0.21 H new ATOM 0 HE22 GLN A 30 -7.071 4.192 -22.536 1.00 0.21 H new ATOM 131 N VAL A 31 -10.951 5.232 -15.461 1.00 13.43 N ATOM 132 CA VAL A 31 -12.229 5.457 -14.795 1.00 21.40 C ATOM 133 C VAL A 31 -12.041 5.647 -13.294 1.00 45.12 C ATOM 134 O VAL A 31 -11.216 4.979 -12.671 1.00 65.42 O ATOM 135 CB VAL A 31 -13.200 4.285 -15.035 1.00 10.42 C ATOM 136 CG1 VAL A 31 -13.421 4.071 -16.524 1.00 51.45 C ATOM 137 CG2 VAL A 31 -12.677 3.017 -14.377 1.00 51.14 C ATOM 0 H VAL A 31 -10.284 4.682 -14.920 1.00 13.43 H new ATOM 0 HA VAL A 31 -12.653 6.365 -15.223 1.00 21.40 H new ATOM 0 HB VAL A 31 -14.160 4.532 -14.582 1.00 10.42 H new ATOM 0 HG11 VAL A 31 -14.109 3.239 -16.674 1.00 51.45 H new ATOM 0 HG12 VAL A 31 -13.843 4.975 -16.963 1.00 51.45 H new ATOM 0 HG13 VAL A 31 -12.469 3.845 -17.004 1.00 51.45 H new ATOM 0 HG21 VAL A 31 -13.375 2.199 -14.556 1.00 51.14 H new ATOM 0 HG22 VAL A 31 -11.704 2.763 -14.799 1.00 51.14 H new ATOM 0 HG23 VAL A 31 -12.576 3.179 -13.304 1.00 51.14 H new ATOM 147 N VAL A 32 -12.812 6.564 -12.718 1.00 62.21 N ATOM 148 CA VAL A 32 -12.732 6.842 -11.289 1.00 65.11 C ATOM 149 C VAL A 32 -14.078 6.621 -10.610 1.00 34.12 C ATOM 150 O VAL A 32 -15.125 6.979 -11.151 1.00 13.22 O ATOM 151 CB VAL A 32 -12.266 8.286 -11.024 1.00 22.25 C ATOM 152 CG1 VAL A 32 -11.013 8.599 -11.828 1.00 14.52 C ATOM 153 CG2 VAL A 32 -13.378 9.272 -11.347 1.00 70.10 C ATOM 0 H VAL A 32 -13.499 7.127 -13.219 1.00 62.21 H new ATOM 0 HA VAL A 32 -12.001 6.150 -10.872 1.00 65.11 H new ATOM 0 HB VAL A 32 -12.023 8.383 -9.966 1.00 22.25 H new ATOM 0 HG11 VAL A 32 -10.699 9.623 -11.628 1.00 14.52 H new ATOM 0 HG12 VAL A 32 -10.216 7.912 -11.542 1.00 14.52 H new ATOM 0 HG13 VAL A 32 -11.225 8.486 -12.891 1.00 14.52 H new ATOM 0 HG21 VAL A 32 -13.031 10.287 -11.154 1.00 70.10 H new ATOM 0 HG22 VAL A 32 -13.655 9.177 -12.397 1.00 70.10 H new ATOM 0 HG23 VAL A 32 -14.245 9.060 -10.722 1.00 70.10 H new ATOM 163 N LEU A 33 -14.045 6.029 -9.421 1.00 1.10 N ATOM 164 CA LEU A 33 -15.264 5.760 -8.666 1.00 4.24 C ATOM 165 C LEU A 33 -15.385 6.704 -7.473 1.00 63.14 C ATOM 166 O LEU A 33 -14.516 6.733 -6.601 1.00 63.35 O ATOM 167 CB LEU A 33 -15.279 4.308 -8.185 1.00 12.12 C ATOM 168 CG LEU A 33 -16.086 4.030 -6.916 1.00 22.21 C ATOM 169 CD1 LEU A 33 -17.522 4.500 -7.083 1.00 13.34 C ATOM 170 CD2 LEU A 33 -16.044 2.548 -6.572 1.00 15.01 C ATOM 0 H LEU A 33 -13.188 5.726 -8.959 1.00 1.10 H new ATOM 0 HA LEU A 33 -16.115 5.927 -9.326 1.00 4.24 H new ATOM 0 HB2 LEU A 33 -15.674 3.685 -8.987 1.00 12.12 H new ATOM 0 HB3 LEU A 33 -14.250 3.992 -8.014 1.00 12.12 H new ATOM 0 HG LEU A 33 -15.637 4.587 -6.093 1.00 22.21 H new ATOM 0 HD11 LEU A 33 -18.081 4.294 -6.170 1.00 13.34 H new ATOM 0 HD12 LEU A 33 -17.533 5.572 -7.281 1.00 13.34 H new ATOM 0 HD13 LEU A 33 -17.983 3.972 -7.918 1.00 13.34 H new ATOM 0 HD21 LEU A 33 -16.623 2.368 -5.666 1.00 15.01 H new ATOM 0 HD22 LEU A 33 -16.468 1.971 -7.394 1.00 15.01 H new ATOM 0 HD23 LEU A 33 -15.011 2.242 -6.409 1.00 15.01 H new ATOM 182 N ILE A 34 -16.468 7.472 -7.441 1.00 52.34 N ATOM 183 CA ILE A 34 -16.704 8.414 -6.354 1.00 52.24 C ATOM 184 C ILE A 34 -17.837 7.938 -5.451 1.00 5.34 C ATOM 185 O ILE A 34 -18.784 7.297 -5.907 1.00 45.15 O ATOM 186 CB ILE A 34 -17.045 9.818 -6.890 1.00 20.44 C ATOM 187 CG1 ILE A 34 -18.295 9.762 -7.769 1.00 75.04 C ATOM 188 CG2 ILE A 34 -15.868 10.388 -7.667 1.00 74.14 C ATOM 189 CD1 ILE A 34 -17.993 9.772 -9.251 1.00 65.24 C ATOM 0 H ILE A 34 -17.196 7.461 -8.155 1.00 52.34 H new ATOM 0 HA ILE A 34 -15.781 8.468 -5.777 1.00 52.24 H new ATOM 0 HB ILE A 34 -17.249 10.475 -6.044 1.00 20.44 H new ATOM 0 HG12 ILE A 34 -18.859 8.861 -7.528 1.00 75.04 H new ATOM 0 HG13 ILE A 34 -18.935 10.612 -7.531 1.00 75.04 H new ATOM 0 HG21 ILE A 34 -16.124 11.380 -8.039 1.00 74.14 H new ATOM 0 HG22 ILE A 34 -15.000 10.459 -7.012 1.00 74.14 H new ATOM 0 HG23 ILE A 34 -15.636 9.734 -8.507 1.00 74.14 H new ATOM 0 HD11 ILE A 34 -18.926 9.730 -9.813 1.00 65.24 H new ATOM 0 HD12 ILE A 34 -17.456 10.685 -9.507 1.00 65.24 H new ATOM 0 HD13 ILE A 34 -17.379 8.907 -9.503 1.00 65.24 H new ATOM 201 N THR A 35 -17.734 8.258 -4.164 1.00 60.02 N ATOM 202 CA THR A 35 -18.749 7.864 -3.196 1.00 11.25 C ATOM 203 C THR A 35 -18.948 8.944 -2.138 1.00 22.43 C ATOM 204 O THR A 35 -18.372 10.027 -2.227 1.00 64.11 O ATOM 205 CB THR A 35 -18.378 6.541 -2.499 1.00 51.23 C ATOM 206 OG1 THR A 35 -17.257 6.742 -1.632 1.00 22.14 O ATOM 207 CG2 THR A 35 -18.048 5.465 -3.523 1.00 4.33 C ATOM 0 H THR A 35 -16.958 8.789 -3.769 1.00 60.02 H new ATOM 0 HA THR A 35 -19.677 7.726 -3.750 1.00 11.25 H new ATOM 0 HB THR A 35 -19.235 6.211 -1.912 1.00 51.23 H new ATOM 0 HG1 THR A 35 -17.029 5.897 -1.191 1.00 22.14 H new ATOM 0 HG21 THR A 35 -17.789 4.540 -3.008 1.00 4.33 H new ATOM 0 HG22 THR A 35 -18.914 5.294 -4.163 1.00 4.33 H new ATOM 0 HG23 THR A 35 -17.205 5.789 -4.133 1.00 4.33 H new ATOM 215 N ASN A 36 -19.767 8.640 -1.136 1.00 4.23 N ATOM 216 CA ASN A 36 -20.041 9.586 -0.060 1.00 21.33 C ATOM 217 C ASN A 36 -20.782 10.810 -0.587 1.00 41.45 C ATOM 218 O ASN A 36 -20.661 11.906 -0.038 1.00 71.22 O ATOM 219 CB ASN A 36 -18.736 10.016 0.614 1.00 14.10 C ATOM 220 CG ASN A 36 -18.763 9.803 2.115 1.00 14.53 C ATOM 221 OD1 ASN A 36 -19.405 8.877 2.611 1.00 72.03 O ATOM 222 ND2 ASN A 36 -18.065 10.664 2.847 1.00 22.52 N ATOM 0 H ASN A 36 -20.252 7.747 -1.047 1.00 4.23 H new ATOM 0 HA ASN A 36 -20.675 9.089 0.674 1.00 21.33 H new ATOM 0 HB2 ASN A 36 -17.906 9.454 0.185 1.00 14.10 H new ATOM 0 HB3 ASN A 36 -18.551 11.069 0.403 1.00 14.10 H new ATOM 0 HD21 ASN A 36 -18.047 10.572 3.863 1.00 22.52 H new ATOM 0 HD22 ASN A 36 -17.547 11.417 2.393 1.00 22.52 H new ATOM 229 N ILE A 37 -21.549 10.617 -1.655 1.00 64.52 N ATOM 230 CA ILE A 37 -22.310 11.704 -2.256 1.00 13.52 C ATOM 231 C ILE A 37 -23.767 11.669 -1.807 1.00 73.51 C ATOM 232 O ILE A 37 -24.376 10.603 -1.727 1.00 34.22 O ATOM 233 CB ILE A 37 -22.257 11.647 -3.794 1.00 30.01 C ATOM 234 CG1 ILE A 37 -22.677 10.261 -4.289 1.00 42.41 C ATOM 235 CG2 ILE A 37 -20.860 11.991 -4.289 1.00 12.53 C ATOM 236 CD1 ILE A 37 -22.871 10.189 -5.787 1.00 72.44 C ATOM 0 H ILE A 37 -21.659 9.717 -2.122 1.00 64.52 H new ATOM 0 HA ILE A 37 -21.851 12.633 -1.920 1.00 13.52 H new ATOM 0 HB ILE A 37 -22.955 12.383 -4.195 1.00 30.01 H new ATOM 0 HG12 ILE A 37 -21.921 9.534 -3.993 1.00 42.41 H new ATOM 0 HG13 ILE A 37 -23.606 9.974 -3.796 1.00 42.41 H new ATOM 0 HG21 ILE A 37 -20.839 11.946 -5.378 1.00 12.53 H new ATOM 0 HG22 ILE A 37 -20.595 12.996 -3.962 1.00 12.53 H new ATOM 0 HG23 ILE A 37 -20.144 11.277 -3.882 1.00 12.53 H new ATOM 0 HD11 ILE A 37 -23.168 9.178 -6.067 1.00 72.44 H new ATOM 0 HD12 ILE A 37 -23.648 10.892 -6.087 1.00 72.44 H new ATOM 0 HD13 ILE A 37 -21.937 10.445 -6.288 1.00 72.44 H new ATOM 248 N ASN A 38 -24.321 12.842 -1.517 1.00 63.34 N ATOM 249 CA ASN A 38 -25.707 12.945 -1.078 1.00 14.00 C ATOM 250 C ASN A 38 -26.663 12.834 -2.262 1.00 50.11 C ATOM 251 O ASN A 38 -26.590 13.599 -3.224 1.00 71.23 O ATOM 252 CB ASN A 38 -25.935 14.270 -0.347 1.00 32.42 C ATOM 253 CG ASN A 38 -26.380 14.068 1.089 1.00 10.30 C ATOM 254 OD1 ASN A 38 -25.629 14.336 2.027 1.00 44.13 O ATOM 255 ND2 ASN A 38 -27.607 13.594 1.267 1.00 75.20 N ATOM 0 H ASN A 38 -23.831 13.734 -1.578 1.00 63.34 H new ATOM 0 HA ASN A 38 -25.907 12.120 -0.394 1.00 14.00 H new ATOM 0 HB2 ASN A 38 -25.014 14.853 -0.361 1.00 32.42 H new ATOM 0 HB3 ASN A 38 -26.688 14.851 -0.880 1.00 32.42 H new ATOM 0 HD21 ASN A 38 -27.962 13.438 2.211 1.00 75.20 H new ATOM 0 HD22 ASN A 38 -28.195 13.386 0.460 1.00 75.20 H new ATOM 262 N PRO A 39 -27.582 11.860 -2.192 1.00 21.44 N ATOM 263 CA PRO A 39 -28.571 11.626 -3.248 1.00 63.23 C ATOM 264 C PRO A 39 -29.612 12.737 -3.324 1.00 33.13 C ATOM 265 O PRO A 39 -30.441 12.762 -4.233 1.00 21.10 O ATOM 266 CB PRO A 39 -29.226 10.306 -2.835 1.00 60.43 C ATOM 267 CG PRO A 39 -29.040 10.236 -1.359 1.00 11.12 C ATOM 268 CD PRO A 39 -27.727 10.911 -1.074 1.00 41.15 C ATOM 0 HA PRO A 39 -28.113 11.599 -4.237 1.00 63.23 H new ATOM 0 HB2 PRO A 39 -30.283 10.288 -3.102 1.00 60.43 H new ATOM 0 HB3 PRO A 39 -28.757 9.458 -3.334 1.00 60.43 H new ATOM 0 HG2 PRO A 39 -29.857 10.736 -0.839 1.00 11.12 H new ATOM 0 HG3 PRO A 39 -29.029 9.202 -1.016 1.00 11.12 H new ATOM 0 HD2 PRO A 39 -27.739 11.422 -0.112 1.00 41.15 H new ATOM 0 HD3 PRO A 39 -26.905 10.196 -1.045 1.00 41.15 H new ATOM 276 N GLU A 40 -29.563 13.654 -2.362 1.00 74.14 N ATOM 277 CA GLU A 40 -30.504 14.767 -2.321 1.00 52.32 C ATOM 278 C GLU A 40 -30.552 15.490 -3.665 1.00 25.44 C ATOM 279 O GLU A 40 -31.573 16.068 -4.036 1.00 10.05 O ATOM 280 CB GLU A 40 -30.117 15.750 -1.215 1.00 0.55 C ATOM 281 CG GLU A 40 -30.823 15.490 0.106 1.00 62.15 C ATOM 282 CD GLU A 40 -30.494 16.530 1.158 1.00 3.34 C ATOM 283 OE1 GLU A 40 -30.043 17.633 0.784 1.00 64.45 O ATOM 284 OE2 GLU A 40 -30.688 16.241 2.358 1.00 42.51 O ATOM 0 H GLU A 40 -28.883 13.648 -1.602 1.00 74.14 H new ATOM 0 HA GLU A 40 -31.494 14.364 -2.109 1.00 52.32 H new ATOM 0 HB2 GLU A 40 -29.040 15.700 -1.057 1.00 0.55 H new ATOM 0 HB3 GLU A 40 -30.344 16.763 -1.545 1.00 0.55 H new ATOM 0 HG2 GLU A 40 -31.900 15.474 -0.059 1.00 62.15 H new ATOM 0 HG3 GLU A 40 -30.543 14.504 0.475 1.00 62.15 H new ATOM 291 N VAL A 41 -29.438 15.452 -4.390 1.00 30.03 N ATOM 292 CA VAL A 41 -29.351 16.102 -5.692 1.00 34.20 C ATOM 293 C VAL A 41 -29.658 15.120 -6.817 1.00 41.14 C ATOM 294 O VAL A 41 -29.156 13.996 -6.848 1.00 50.34 O ATOM 295 CB VAL A 41 -27.956 16.712 -5.923 1.00 71.43 C ATOM 296 CG1 VAL A 41 -26.880 15.643 -5.808 1.00 72.41 C ATOM 297 CG2 VAL A 41 -27.893 17.399 -7.279 1.00 35.20 C ATOM 0 H VAL A 41 -28.584 14.978 -4.097 1.00 30.03 H new ATOM 0 HA VAL A 41 -30.093 16.900 -5.698 1.00 34.20 H new ATOM 0 HB VAL A 41 -27.774 17.461 -5.153 1.00 71.43 H new ATOM 0 HG11 VAL A 41 -25.901 16.093 -5.974 1.00 72.41 H new ATOM 0 HG12 VAL A 41 -26.912 15.200 -4.812 1.00 72.41 H new ATOM 0 HG13 VAL A 41 -27.055 14.869 -6.555 1.00 72.41 H new ATOM 0 HG21 VAL A 41 -26.900 17.824 -7.426 1.00 35.20 H new ATOM 0 HG22 VAL A 41 -28.096 16.672 -8.065 1.00 35.20 H new ATOM 0 HG23 VAL A 41 -28.638 18.194 -7.319 1.00 35.20 H new ATOM 307 N PRO A 42 -30.502 15.552 -7.766 1.00 43.52 N ATOM 308 CA PRO A 42 -30.894 14.727 -8.913 1.00 3.43 C ATOM 309 C PRO A 42 -29.745 14.514 -9.893 1.00 55.21 C ATOM 310 O PRO A 42 -28.963 15.427 -10.157 1.00 52.44 O ATOM 311 CB PRO A 42 -32.013 15.540 -9.568 1.00 41.14 C ATOM 312 CG PRO A 42 -31.742 16.949 -9.168 1.00 52.32 C ATOM 313 CD PRO A 42 -31.138 16.880 -7.793 1.00 43.41 C ATOM 0 HA PRO A 42 -31.198 13.725 -8.610 1.00 3.43 H new ATOM 0 HB2 PRO A 42 -32.002 15.427 -10.652 1.00 41.14 H new ATOM 0 HB3 PRO A 42 -32.994 15.212 -9.224 1.00 41.14 H new ATOM 0 HG2 PRO A 42 -31.061 17.430 -9.870 1.00 52.32 H new ATOM 0 HG3 PRO A 42 -32.660 17.536 -9.162 1.00 52.32 H new ATOM 0 HD2 PRO A 42 -30.412 17.677 -7.633 1.00 43.41 H new ATOM 0 HD3 PRO A 42 -31.896 16.978 -7.016 1.00 43.41 H new ATOM 321 N LYS A 43 -29.650 13.303 -10.431 1.00 22.24 N ATOM 322 CA LYS A 43 -28.598 12.969 -11.384 1.00 11.12 C ATOM 323 C LYS A 43 -28.484 14.039 -12.465 1.00 2.44 C ATOM 324 O LYS A 43 -27.392 14.321 -12.958 1.00 54.10 O ATOM 325 CB LYS A 43 -28.877 11.608 -12.026 1.00 44.31 C ATOM 326 CG LYS A 43 -28.042 11.339 -13.266 1.00 23.41 C ATOM 327 CD LYS A 43 -27.840 9.849 -13.489 1.00 5.20 C ATOM 328 CE LYS A 43 -28.881 9.282 -14.442 1.00 23.13 C ATOM 329 NZ LYS A 43 -28.778 9.886 -15.799 1.00 62.31 N ATOM 0 H LYS A 43 -30.289 12.536 -10.223 1.00 22.24 H new ATOM 0 HA LYS A 43 -27.653 12.922 -10.843 1.00 11.12 H new ATOM 0 HB2 LYS A 43 -28.687 10.824 -11.293 1.00 44.31 H new ATOM 0 HB3 LYS A 43 -29.933 11.549 -12.289 1.00 44.31 H new ATOM 0 HG2 LYS A 43 -28.531 11.775 -14.137 1.00 23.41 H new ATOM 0 HG3 LYS A 43 -27.073 11.828 -13.166 1.00 23.41 H new ATOM 0 HD2 LYS A 43 -26.842 9.672 -13.891 1.00 5.20 H new ATOM 0 HD3 LYS A 43 -27.896 9.326 -12.534 1.00 5.20 H new ATOM 0 HE2 LYS A 43 -28.756 8.202 -14.515 1.00 23.13 H new ATOM 0 HE3 LYS A 43 -29.878 9.461 -14.039 1.00 23.13 H new ATOM 0 HZ1 LYS A 43 -29.122 9.207 -16.508 1.00 62.31 H new ATOM 0 HZ2 LYS A 43 -29.355 10.750 -15.839 1.00 62.31 H new ATOM 0 HZ3 LYS A 43 -27.785 10.123 -15.999 1.00 62.31 H new ATOM 343 N GLU A 44 -29.617 14.633 -12.826 1.00 73.51 N ATOM 344 CA GLU A 44 -29.642 15.672 -13.848 1.00 54.32 C ATOM 345 C GLU A 44 -28.600 16.748 -13.555 1.00 55.15 C ATOM 346 O GLU A 44 -27.746 17.045 -14.391 1.00 11.13 O ATOM 347 CB GLU A 44 -31.034 16.303 -13.931 1.00 42.42 C ATOM 348 CG GLU A 44 -31.578 16.393 -15.347 1.00 32.31 C ATOM 349 CD GLU A 44 -30.990 17.553 -16.126 1.00 14.31 C ATOM 350 OE1 GLU A 44 -29.779 17.816 -15.977 1.00 22.23 O ATOM 351 OE2 GLU A 44 -31.743 18.199 -16.885 1.00 60.03 O ATOM 0 H GLU A 44 -30.529 14.412 -12.426 1.00 73.51 H new ATOM 0 HA GLU A 44 -29.403 15.210 -14.806 1.00 54.32 H new ATOM 0 HB2 GLU A 44 -31.725 15.720 -13.322 1.00 42.42 H new ATOM 0 HB3 GLU A 44 -30.996 17.304 -13.501 1.00 42.42 H new ATOM 0 HG2 GLU A 44 -31.366 15.462 -15.873 1.00 32.31 H new ATOM 0 HG3 GLU A 44 -32.662 16.498 -15.309 1.00 32.31 H new ATOM 358 N LYS A 45 -28.678 17.330 -12.363 1.00 71.43 N ATOM 359 CA LYS A 45 -27.743 18.372 -11.958 1.00 1.23 C ATOM 360 C LYS A 45 -26.459 17.765 -11.400 1.00 75.02 C ATOM 361 O LYS A 45 -25.359 18.227 -11.704 1.00 1.41 O ATOM 362 CB LYS A 45 -28.386 19.283 -10.909 1.00 40.15 C ATOM 363 CG LYS A 45 -29.521 20.132 -11.456 1.00 3.35 C ATOM 364 CD LYS A 45 -30.608 20.346 -10.416 1.00 21.33 C ATOM 365 CE LYS A 45 -30.075 21.080 -9.195 1.00 31.22 C ATOM 366 NZ LYS A 45 -30.967 22.202 -8.789 1.00 65.43 N ATOM 0 H LYS A 45 -29.380 17.097 -11.660 1.00 71.43 H new ATOM 0 HA LYS A 45 -27.492 18.962 -12.839 1.00 1.23 H new ATOM 0 HB2 LYS A 45 -28.763 18.671 -10.090 1.00 40.15 H new ATOM 0 HB3 LYS A 45 -27.622 19.938 -10.491 1.00 40.15 H new ATOM 0 HG2 LYS A 45 -29.131 21.097 -11.780 1.00 3.35 H new ATOM 0 HG3 LYS A 45 -29.947 19.649 -12.335 1.00 3.35 H new ATOM 0 HD2 LYS A 45 -31.427 20.916 -10.856 1.00 21.33 H new ATOM 0 HD3 LYS A 45 -31.017 19.382 -10.113 1.00 21.33 H new ATOM 0 HE2 LYS A 45 -29.972 20.379 -8.366 1.00 31.22 H new ATOM 0 HE3 LYS A 45 -29.079 21.467 -9.410 1.00 31.22 H new ATOM 0 HZ1 LYS A 45 -30.569 22.677 -7.954 1.00 65.43 H new ATOM 0 HZ2 LYS A 45 -31.045 22.884 -9.571 1.00 65.43 H new ATOM 0 HZ3 LYS A 45 -31.910 21.830 -8.559 1.00 65.43 H new ATOM 380 N LEU A 46 -26.607 16.727 -10.585 1.00 72.40 N ATOM 381 CA LEU A 46 -25.459 16.055 -9.986 1.00 72.42 C ATOM 382 C LEU A 46 -24.447 15.650 -11.054 1.00 14.05 C ATOM 383 O LEU A 46 -23.255 15.928 -10.928 1.00 71.13 O ATOM 384 CB LEU A 46 -25.916 14.820 -9.206 1.00 44.50 C ATOM 385 CG LEU A 46 -25.059 13.565 -9.374 1.00 44.31 C ATOM 386 CD1 LEU A 46 -23.661 13.795 -8.821 1.00 3.40 C ATOM 387 CD2 LEU A 46 -25.716 12.375 -8.690 1.00 44.40 C ATOM 0 H LEU A 46 -27.510 16.332 -10.324 1.00 72.40 H new ATOM 0 HA LEU A 46 -24.977 16.753 -9.301 1.00 72.42 H new ATOM 0 HB2 LEU A 46 -25.947 15.075 -8.147 1.00 44.50 H new ATOM 0 HB3 LEU A 46 -26.936 14.582 -9.507 1.00 44.50 H new ATOM 0 HG LEU A 46 -24.975 13.346 -10.438 1.00 44.31 H new ATOM 0 HD11 LEU A 46 -23.066 12.891 -8.949 1.00 3.40 H new ATOM 0 HD12 LEU A 46 -23.189 14.619 -9.356 1.00 3.40 H new ATOM 0 HD13 LEU A 46 -23.725 14.040 -7.761 1.00 3.40 H new ATOM 0 HD21 LEU A 46 -25.092 11.491 -8.820 1.00 44.40 H new ATOM 0 HD22 LEU A 46 -25.831 12.585 -7.627 1.00 44.40 H new ATOM 0 HD23 LEU A 46 -26.696 12.196 -9.133 1.00 44.40 H new ATOM 399 N GLN A 47 -24.932 14.995 -12.103 1.00 73.51 N ATOM 400 CA GLN A 47 -24.070 14.554 -13.193 1.00 23.51 C ATOM 401 C GLN A 47 -23.432 15.746 -13.899 1.00 23.54 C ATOM 402 O GLN A 47 -22.222 15.772 -14.122 1.00 41.04 O ATOM 403 CB GLN A 47 -24.867 13.718 -14.196 1.00 41.44 C ATOM 404 CG GLN A 47 -24.014 13.120 -15.303 1.00 62.50 C ATOM 405 CD GLN A 47 -24.771 12.970 -16.608 1.00 34.44 C ATOM 406 OE1 GLN A 47 -25.529 13.856 -17.004 1.00 62.34 O ATOM 407 NE2 GLN A 47 -24.571 11.844 -17.283 1.00 44.21 N ATOM 0 H GLN A 47 -25.917 14.758 -12.221 1.00 73.51 H new ATOM 0 HA GLN A 47 -23.276 13.939 -12.769 1.00 23.51 H new ATOM 0 HB2 GLN A 47 -25.374 12.913 -13.664 1.00 41.44 H new ATOM 0 HB3 GLN A 47 -25.641 14.342 -14.642 1.00 41.44 H new ATOM 0 HG2 GLN A 47 -23.141 13.752 -15.465 1.00 62.50 H new ATOM 0 HG3 GLN A 47 -23.647 12.144 -14.986 1.00 62.50 H new ATOM 0 HE21 GLN A 47 -23.934 11.137 -16.917 1.00 44.21 H new ATOM 0 HE22 GLN A 47 -25.055 11.687 -18.167 1.00 44.21 H new ATOM 416 N ALA A 48 -24.254 16.730 -14.247 1.00 63.12 N ATOM 417 CA ALA A 48 -23.769 17.925 -14.926 1.00 53.41 C ATOM 418 C ALA A 48 -22.671 18.609 -14.118 1.00 35.21 C ATOM 419 O ALA A 48 -21.751 19.203 -14.680 1.00 63.04 O ATOM 420 CB ALA A 48 -24.918 18.890 -15.181 1.00 32.15 C ATOM 0 H ALA A 48 -25.259 16.723 -14.070 1.00 63.12 H new ATOM 0 HA ALA A 48 -23.344 17.622 -15.883 1.00 53.41 H new ATOM 0 HB1 ALA A 48 -24.541 19.778 -15.689 1.00 32.15 H new ATOM 0 HB2 ALA A 48 -25.668 18.405 -15.806 1.00 32.15 H new ATOM 0 HB3 ALA A 48 -25.368 19.179 -14.231 1.00 32.15 H new ATOM 426 N LEU A 49 -22.775 18.522 -12.796 1.00 62.34 N ATOM 427 CA LEU A 49 -21.790 19.133 -11.910 1.00 73.41 C ATOM 428 C LEU A 49 -20.473 18.365 -11.949 1.00 4.34 C ATOM 429 O LEU A 49 -19.404 18.954 -12.115 1.00 5.24 O ATOM 430 CB LEU A 49 -22.325 19.180 -10.477 1.00 64.45 C ATOM 431 CG LEU A 49 -22.495 20.573 -9.870 1.00 24.51 C ATOM 432 CD1 LEU A 49 -21.209 21.373 -10.003 1.00 3.51 C ATOM 433 CD2 LEU A 49 -23.652 21.305 -10.532 1.00 15.32 C ATOM 0 H LEU A 49 -23.531 18.035 -12.315 1.00 62.34 H new ATOM 0 HA LEU A 49 -21.606 20.150 -12.256 1.00 73.41 H new ATOM 0 HB2 LEU A 49 -23.291 18.675 -10.454 1.00 64.45 H new ATOM 0 HB3 LEU A 49 -21.651 18.608 -9.840 1.00 64.45 H new ATOM 0 HG LEU A 49 -22.721 20.462 -8.810 1.00 24.51 H new ATOM 0 HD11 LEU A 49 -21.349 22.362 -9.566 1.00 3.51 H new ATOM 0 HD12 LEU A 49 -20.403 20.856 -9.482 1.00 3.51 H new ATOM 0 HD13 LEU A 49 -20.952 21.476 -11.057 1.00 3.51 H new ATOM 0 HD21 LEU A 49 -23.758 22.295 -10.088 1.00 15.32 H new ATOM 0 HD22 LEU A 49 -23.456 21.406 -11.599 1.00 15.32 H new ATOM 0 HD23 LEU A 49 -24.572 20.740 -10.384 1.00 15.32 H new ATOM 445 N LEU A 50 -20.556 17.048 -11.796 1.00 53.44 N ATOM 446 CA LEU A 50 -19.370 16.199 -11.816 1.00 74.00 C ATOM 447 C LEU A 50 -18.565 16.418 -13.093 1.00 3.25 C ATOM 448 O LEU A 50 -17.347 16.235 -13.109 1.00 53.34 O ATOM 449 CB LEU A 50 -19.771 14.727 -11.699 1.00 0.44 C ATOM 450 CG LEU A 50 -20.395 14.306 -10.368 1.00 34.21 C ATOM 451 CD1 LEU A 50 -20.831 12.850 -10.420 1.00 71.32 C ATOM 452 CD2 LEU A 50 -19.417 14.531 -9.225 1.00 23.14 C ATOM 0 H LEU A 50 -21.432 16.545 -11.657 1.00 53.44 H new ATOM 0 HA LEU A 50 -18.746 16.469 -10.964 1.00 74.00 H new ATOM 0 HB2 LEU A 50 -20.478 14.499 -12.497 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -18.886 14.115 -11.872 1.00 0.44 H new ATOM 0 HG LEU A 50 -21.277 14.922 -10.191 1.00 34.21 H new ATOM 0 HD11 LEU A 50 -21.273 12.568 -9.464 1.00 71.32 H new ATOM 0 HD12 LEU A 50 -21.567 12.719 -11.213 1.00 71.32 H new ATOM 0 HD13 LEU A 50 -19.966 12.218 -10.620 1.00 71.32 H new ATOM 0 HD21 LEU A 50 -19.878 14.226 -8.286 1.00 23.14 H new ATOM 0 HD22 LEU A 50 -18.516 13.941 -9.395 1.00 23.14 H new ATOM 0 HD23 LEU A 50 -19.154 15.588 -9.174 1.00 23.14 H new ATOM 464 N TYR A 51 -19.252 16.813 -14.159 1.00 24.32 N ATOM 465 CA TYR A 51 -18.600 17.057 -15.440 1.00 71.02 C ATOM 466 C TYR A 51 -17.793 18.351 -15.403 1.00 41.10 C ATOM 467 O TYR A 51 -16.648 18.395 -15.852 1.00 71.23 O ATOM 468 CB TYR A 51 -19.640 17.123 -16.560 1.00 43.22 C ATOM 469 CG TYR A 51 -19.047 16.994 -17.945 1.00 43.21 C ATOM 470 CD1 TYR A 51 -18.198 17.971 -18.452 1.00 72.44 C ATOM 471 CD2 TYR A 51 -19.336 15.897 -18.747 1.00 24.33 C ATOM 472 CE1 TYR A 51 -17.655 17.858 -19.717 1.00 64.54 C ATOM 473 CE2 TYR A 51 -18.795 15.775 -20.012 1.00 73.41 C ATOM 474 CZ TYR A 51 -17.956 16.758 -20.493 1.00 63.51 C ATOM 475 OH TYR A 51 -17.417 16.640 -21.754 1.00 3.22 O ATOM 0 H TYR A 51 -20.260 16.971 -14.161 1.00 24.32 H new ATOM 0 HA TYR A 51 -17.917 16.230 -15.635 1.00 71.02 H new ATOM 0 HB2 TYR A 51 -20.372 16.329 -16.412 1.00 43.22 H new ATOM 0 HB3 TYR A 51 -20.177 18.069 -16.490 1.00 43.22 H new ATOM 0 HD1 TYR A 51 -17.959 18.833 -17.847 1.00 72.44 H new ATOM 0 HD2 TYR A 51 -19.995 15.126 -18.375 1.00 24.33 H new ATOM 0 HE1 TYR A 51 -16.998 18.627 -20.097 1.00 64.54 H new ATOM 0 HE2 TYR A 51 -19.028 14.914 -20.621 1.00 73.41 H new ATOM 0 HH TYR A 51 -17.728 15.807 -22.166 1.00 3.22 H new ATOM 485 N ALA A 52 -18.399 19.403 -14.863 1.00 51.52 N ATOM 486 CA ALA A 52 -17.737 20.698 -14.764 1.00 54.40 C ATOM 487 C ALA A 52 -16.362 20.564 -14.119 1.00 14.34 C ATOM 488 O ALA A 52 -15.356 20.995 -14.683 1.00 24.31 O ATOM 489 CB ALA A 52 -18.600 21.673 -13.976 1.00 20.24 C ATOM 0 H ALA A 52 -19.347 19.384 -14.487 1.00 51.52 H new ATOM 0 HA ALA A 52 -17.599 21.086 -15.773 1.00 54.40 H new ATOM 0 HB1 ALA A 52 -18.093 22.636 -13.910 1.00 20.24 H new ATOM 0 HB2 ALA A 52 -19.558 21.801 -14.480 1.00 20.24 H new ATOM 0 HB3 ALA A 52 -18.768 21.282 -12.973 1.00 20.24 H new ATOM 495 N LEU A 53 -16.326 19.966 -12.933 1.00 74.11 N ATOM 496 CA LEU A 53 -15.074 19.776 -12.210 1.00 22.41 C ATOM 497 C LEU A 53 -14.129 18.864 -12.987 1.00 14.10 C ATOM 498 O LEU A 53 -12.932 19.131 -13.083 1.00 11.41 O ATOM 499 CB LEU A 53 -15.346 19.185 -10.825 1.00 52.32 C ATOM 500 CG LEU A 53 -16.402 19.904 -9.985 1.00 11.51 C ATOM 501 CD1 LEU A 53 -16.770 19.074 -8.765 1.00 4.31 C ATOM 502 CD2 LEU A 53 -15.904 21.280 -9.566 1.00 11.01 C ATOM 0 H LEU A 53 -17.150 19.605 -12.452 1.00 74.11 H new ATOM 0 HA LEU A 53 -14.598 20.750 -12.096 1.00 22.41 H new ATOM 0 HB2 LEU A 53 -15.654 18.147 -10.949 1.00 52.32 H new ATOM 0 HB3 LEU A 53 -14.410 19.175 -10.266 1.00 52.32 H new ATOM 0 HG LEU A 53 -17.297 20.033 -10.594 1.00 11.51 H new ATOM 0 HD11 LEU A 53 -17.523 19.602 -8.179 1.00 4.31 H new ATOM 0 HD12 LEU A 53 -17.169 18.112 -9.086 1.00 4.31 H new ATOM 0 HD13 LEU A 53 -15.882 18.912 -8.154 1.00 4.31 H new ATOM 0 HD21 LEU A 53 -16.668 21.777 -8.969 1.00 11.01 H new ATOM 0 HD22 LEU A 53 -14.994 21.173 -8.975 1.00 11.01 H new ATOM 0 HD23 LEU A 53 -15.692 21.876 -10.454 1.00 11.01 H new ATOM 514 N ALA A 54 -14.677 17.788 -13.542 1.00 33.23 N ATOM 515 CA ALA A 54 -13.885 16.839 -14.314 1.00 43.22 C ATOM 516 C ALA A 54 -13.159 17.535 -15.461 1.00 12.44 C ATOM 517 O ALA A 54 -11.941 17.422 -15.597 1.00 10.12 O ATOM 518 CB ALA A 54 -14.770 15.723 -14.848 1.00 32.12 C ATOM 0 H ALA A 54 -15.667 17.552 -13.471 1.00 33.23 H new ATOM 0 HA ALA A 54 -13.135 16.407 -13.652 1.00 43.22 H new ATOM 0 HB1 ALA A 54 -14.165 15.022 -15.423 1.00 32.12 H new ATOM 0 HB2 ALA A 54 -15.238 15.200 -14.014 1.00 32.12 H new ATOM 0 HB3 ALA A 54 -15.542 16.147 -15.490 1.00 32.12 H new ATOM 524 N SER A 55 -13.915 18.255 -16.283 1.00 55.12 N ATOM 525 CA SER A 55 -13.345 18.966 -17.421 1.00 44.12 C ATOM 526 C SER A 55 -12.268 19.947 -16.965 1.00 35.42 C ATOM 527 O SER A 55 -11.299 20.199 -17.680 1.00 70.32 O ATOM 528 CB SER A 55 -14.440 19.713 -18.185 1.00 30.41 C ATOM 529 OG SER A 55 -13.882 20.640 -19.100 1.00 34.10 O ATOM 0 H SER A 55 -14.924 18.361 -16.182 1.00 55.12 H new ATOM 0 HA SER A 55 -12.887 18.231 -18.083 1.00 44.12 H new ATOM 0 HB2 SER A 55 -15.065 18.999 -18.721 1.00 30.41 H new ATOM 0 HB3 SER A 55 -15.087 20.237 -17.481 1.00 30.41 H new ATOM 0 HG SER A 55 -14.602 21.103 -19.577 1.00 34.10 H new ATOM 535 N SER A 56 -12.447 20.497 -15.768 1.00 74.11 N ATOM 536 CA SER A 56 -11.495 21.453 -15.216 1.00 44.14 C ATOM 537 C SER A 56 -10.099 20.842 -15.131 1.00 53.02 C ATOM 538 O SER A 56 -9.098 21.557 -15.107 1.00 51.23 O ATOM 539 CB SER A 56 -11.947 21.914 -13.830 1.00 35.14 C ATOM 540 OG SER A 56 -11.798 23.316 -13.684 1.00 20.41 O ATOM 0 H SER A 56 -13.243 20.297 -15.162 1.00 74.11 H new ATOM 0 HA SER A 56 -11.456 22.315 -15.882 1.00 44.14 H new ATOM 0 HB2 SER A 56 -12.990 21.638 -13.674 1.00 35.14 H new ATOM 0 HB3 SER A 56 -11.364 21.402 -13.065 1.00 35.14 H new ATOM 0 HG SER A 56 -12.096 23.585 -12.790 1.00 20.41 H new ATOM 546 N GLN A 57 -10.043 19.515 -15.086 1.00 31.14 N ATOM 547 CA GLN A 57 -8.771 18.807 -15.002 1.00 51.13 C ATOM 548 C GLN A 57 -8.481 18.054 -16.297 1.00 11.53 C ATOM 549 O GLN A 57 -7.640 18.469 -17.093 1.00 2.43 O ATOM 550 CB GLN A 57 -8.782 17.833 -13.823 1.00 61.43 C ATOM 551 CG GLN A 57 -8.899 18.516 -12.470 1.00 71.23 C ATOM 552 CD GLN A 57 -7.556 18.947 -11.916 1.00 44.10 C ATOM 553 OE1 GLN A 57 -6.571 18.213 -12.001 1.00 70.45 O ATOM 554 NE2 GLN A 57 -7.508 20.144 -11.343 1.00 41.34 N ATOM 0 H GLN A 57 -10.863 18.909 -15.106 1.00 31.14 H new ATOM 0 HA GLN A 57 -7.983 19.544 -14.847 1.00 51.13 H new ATOM 0 HB2 GLN A 57 -9.614 17.139 -13.944 1.00 61.43 H new ATOM 0 HB3 GLN A 57 -7.867 17.240 -13.844 1.00 61.43 H new ATOM 0 HG2 GLN A 57 -9.546 19.388 -12.562 1.00 71.23 H new ATOM 0 HG3 GLN A 57 -9.378 17.837 -11.765 1.00 71.23 H new ATOM 0 HE21 GLN A 57 -8.348 20.720 -11.294 1.00 41.34 H new ATOM 0 HE22 GLN A 57 -6.631 20.487 -10.952 1.00 41.34 H new ATOM 563 N GLY A 58 -9.184 16.944 -16.500 1.00 42.23 N ATOM 564 CA GLY A 58 -8.987 16.151 -17.699 1.00 62.05 C ATOM 565 C GLY A 58 -10.255 16.012 -18.518 1.00 12.22 C ATOM 566 O GLY A 58 -11.324 16.457 -18.099 1.00 0.01 O ATOM 0 H GLY A 58 -9.886 16.580 -15.856 1.00 42.23 H new ATOM 0 HA2 GLY A 58 -8.211 16.611 -18.311 1.00 62.05 H new ATOM 0 HA3 GLY A 58 -8.628 15.160 -17.421 1.00 62.05 H new ATOM 570 N ASP A 59 -10.137 15.395 -19.688 1.00 54.44 N ATOM 571 CA ASP A 59 -11.284 15.200 -20.568 1.00 62.23 C ATOM 572 C ASP A 59 -12.150 14.042 -20.083 1.00 33.03 C ATOM 573 O ASP A 59 -11.642 13.052 -19.557 1.00 24.52 O ATOM 574 CB ASP A 59 -10.816 14.937 -22.000 1.00 44.14 C ATOM 575 CG ASP A 59 -10.272 16.184 -22.670 1.00 25.14 C ATOM 576 OD1 ASP A 59 -11.078 17.073 -23.012 1.00 75.15 O ATOM 577 OD2 ASP A 59 -9.039 16.270 -22.851 1.00 43.42 O ATOM 0 H ASP A 59 -9.259 15.021 -20.049 1.00 54.44 H new ATOM 0 HA ASP A 59 -11.883 16.111 -20.551 1.00 62.23 H new ATOM 0 HB2 ASP A 59 -10.045 14.167 -21.991 1.00 44.14 H new ATOM 0 HB3 ASP A 59 -11.649 14.547 -22.585 1.00 44.14 H new ATOM 582 N ILE A 60 -13.460 14.174 -20.262 1.00 12.43 N ATOM 583 CA ILE A 60 -14.397 13.139 -19.842 1.00 4.32 C ATOM 584 C ILE A 60 -14.961 12.388 -21.043 1.00 41.40 C ATOM 585 O ILE A 60 -15.373 12.997 -22.032 1.00 34.44 O ATOM 586 CB ILE A 60 -15.562 13.731 -19.027 1.00 3.11 C ATOM 587 CG1 ILE A 60 -15.027 14.514 -17.826 1.00 20.43 C ATOM 588 CG2 ILE A 60 -16.503 12.627 -18.570 1.00 72.21 C ATOM 589 CD1 ILE A 60 -14.940 16.004 -18.066 1.00 44.50 C ATOM 0 H ILE A 60 -13.897 14.988 -20.695 1.00 12.43 H new ATOM 0 HA ILE A 60 -13.840 12.446 -19.212 1.00 4.32 H new ATOM 0 HB ILE A 60 -16.120 14.417 -19.664 1.00 3.11 H new ATOM 0 HG12 ILE A 60 -15.671 14.330 -16.966 1.00 20.43 H new ATOM 0 HG13 ILE A 60 -14.037 14.137 -17.569 1.00 20.43 H new ATOM 0 HG21 ILE A 60 -17.321 13.061 -17.995 1.00 72.21 H new ATOM 0 HG22 ILE A 60 -16.906 12.109 -19.440 1.00 72.21 H new ATOM 0 HG23 ILE A 60 -15.957 11.919 -17.946 1.00 72.21 H new ATOM 0 HD11 ILE A 60 -14.553 16.494 -17.173 1.00 44.50 H new ATOM 0 HD12 ILE A 60 -14.272 16.199 -18.905 1.00 44.50 H new ATOM 0 HD13 ILE A 60 -15.932 16.394 -18.293 1.00 44.50 H new ATOM 601 N LEU A 61 -14.978 11.063 -20.951 1.00 0.34 N ATOM 602 CA LEU A 61 -15.494 10.228 -22.029 1.00 70.33 C ATOM 603 C LEU A 61 -16.923 9.782 -21.737 1.00 12.12 C ATOM 604 O LEU A 61 -17.693 9.492 -22.652 1.00 71.55 O ATOM 605 CB LEU A 61 -14.597 9.005 -22.227 1.00 62.34 C ATOM 606 CG LEU A 61 -13.095 9.241 -22.066 1.00 3.00 C ATOM 607 CD1 LEU A 61 -12.316 7.983 -22.417 1.00 23.24 C ATOM 608 CD2 LEU A 61 -12.643 10.409 -22.931 1.00 24.23 C ATOM 0 H LEU A 61 -14.640 10.544 -20.141 1.00 0.34 H new ATOM 0 HA LEU A 61 -15.498 10.821 -22.944 1.00 70.33 H new ATOM 0 HB2 LEU A 61 -14.902 8.237 -21.516 1.00 62.34 H new ATOM 0 HB3 LEU A 61 -14.777 8.605 -23.225 1.00 62.34 H new ATOM 0 HG LEU A 61 -12.895 9.488 -21.023 1.00 3.00 H new ATOM 0 HD11 LEU A 61 -11.249 8.170 -22.296 1.00 23.24 H new ATOM 0 HD12 LEU A 61 -12.619 7.171 -21.756 1.00 23.24 H new ATOM 0 HD13 LEU A 61 -12.521 7.705 -23.451 1.00 23.24 H new ATOM 0 HD21 LEU A 61 -11.571 10.563 -22.804 1.00 24.23 H new ATOM 0 HD22 LEU A 61 -12.857 10.191 -23.977 1.00 24.23 H new ATOM 0 HD23 LEU A 61 -13.177 11.311 -22.632 1.00 24.23 H new ATOM 620 N ASP A 62 -17.271 9.733 -20.456 1.00 34.32 N ATOM 621 CA ASP A 62 -18.609 9.326 -20.042 1.00 74.13 C ATOM 622 C ASP A 62 -18.740 9.354 -18.523 1.00 35.13 C ATOM 623 O ASP A 62 -17.958 8.724 -17.811 1.00 22.12 O ATOM 624 CB ASP A 62 -18.925 7.925 -20.568 1.00 61.31 C ATOM 625 CG ASP A 62 -20.109 7.295 -19.862 1.00 74.41 C ATOM 626 OD1 ASP A 62 -21.099 8.012 -19.609 1.00 11.42 O ATOM 627 OD2 ASP A 62 -20.046 6.084 -19.562 1.00 73.31 O ATOM 0 H ASP A 62 -16.645 9.970 -19.686 1.00 34.32 H new ATOM 0 HA ASP A 62 -19.323 10.033 -20.463 1.00 74.13 H new ATOM 0 HB2 ASP A 62 -19.130 7.979 -21.637 1.00 61.31 H new ATOM 0 HB3 ASP A 62 -18.050 7.287 -20.443 1.00 61.31 H new ATOM 632 N ILE A 63 -19.733 10.089 -18.033 1.00 75.41 N ATOM 633 CA ILE A 63 -19.966 10.198 -16.598 1.00 55.45 C ATOM 634 C ILE A 63 -21.165 9.358 -16.170 1.00 51.53 C ATOM 635 O ILE A 63 -22.305 9.655 -16.529 1.00 63.04 O ATOM 636 CB ILE A 63 -20.202 11.661 -16.177 1.00 24.24 C ATOM 637 CG1 ILE A 63 -19.022 12.535 -16.608 1.00 73.12 C ATOM 638 CG2 ILE A 63 -20.412 11.751 -14.673 1.00 31.25 C ATOM 639 CD1 ILE A 63 -19.159 13.983 -16.192 1.00 31.31 C ATOM 0 H ILE A 63 -20.389 10.618 -18.608 1.00 75.41 H new ATOM 0 HA ILE A 63 -19.069 9.825 -16.103 1.00 55.45 H new ATOM 0 HB ILE A 63 -21.101 12.026 -16.673 1.00 24.24 H new ATOM 0 HG12 ILE A 63 -18.105 12.128 -16.182 1.00 73.12 H new ATOM 0 HG13 ILE A 63 -18.920 12.485 -17.692 1.00 73.12 H new ATOM 0 HG21 ILE A 63 -20.577 12.791 -14.390 1.00 31.25 H new ATOM 0 HG22 ILE A 63 -21.280 11.156 -14.391 1.00 31.25 H new ATOM 0 HG23 ILE A 63 -19.529 11.371 -14.159 1.00 31.25 H new ATOM 0 HD11 ILE A 63 -18.287 14.543 -16.531 1.00 31.31 H new ATOM 0 HD12 ILE A 63 -20.058 14.406 -16.639 1.00 31.31 H new ATOM 0 HD13 ILE A 63 -19.230 14.044 -15.106 1.00 31.31 H new ATOM 651 N VAL A 64 -20.900 8.309 -15.399 1.00 11.14 N ATOM 652 CA VAL A 64 -21.957 7.427 -14.918 1.00 51.12 C ATOM 653 C VAL A 64 -22.352 7.771 -13.486 1.00 44.44 C ATOM 654 O VAL A 64 -21.523 8.220 -12.693 1.00 74.44 O ATOM 655 CB VAL A 64 -21.526 5.950 -14.979 1.00 72.42 C ATOM 656 CG1 VAL A 64 -22.680 5.040 -14.586 1.00 51.01 C ATOM 657 CG2 VAL A 64 -21.012 5.602 -16.368 1.00 3.00 C ATOM 0 H VAL A 64 -19.962 8.049 -15.094 1.00 11.14 H new ATOM 0 HA VAL A 64 -22.815 7.575 -15.574 1.00 51.12 H new ATOM 0 HB VAL A 64 -20.715 5.797 -14.267 1.00 72.42 H new ATOM 0 HG11 VAL A 64 -22.356 4.000 -14.635 1.00 51.01 H new ATOM 0 HG12 VAL A 64 -22.998 5.274 -13.570 1.00 51.01 H new ATOM 0 HG13 VAL A 64 -23.514 5.193 -15.271 1.00 51.01 H new ATOM 0 HG21 VAL A 64 -20.712 4.554 -16.393 1.00 3.00 H new ATOM 0 HG22 VAL A 64 -21.801 5.771 -17.101 1.00 3.00 H new ATOM 0 HG23 VAL A 64 -20.154 6.231 -16.607 1.00 3.00 H new ATOM 667 N VAL A 65 -23.623 7.558 -13.161 1.00 43.31 N ATOM 668 CA VAL A 65 -24.128 7.844 -11.824 1.00 1.43 C ATOM 669 C VAL A 65 -25.233 6.869 -11.433 1.00 44.12 C ATOM 670 O VAL A 65 -26.141 6.597 -12.219 1.00 22.03 O ATOM 671 CB VAL A 65 -24.669 9.283 -11.724 1.00 33.10 C ATOM 672 CG1 VAL A 65 -25.102 9.593 -10.299 1.00 53.12 C ATOM 673 CG2 VAL A 65 -23.624 10.279 -12.201 1.00 43.52 C ATOM 0 H VAL A 65 -24.322 7.188 -13.806 1.00 43.31 H new ATOM 0 HA VAL A 65 -23.288 7.731 -11.138 1.00 1.43 H new ATOM 0 HB VAL A 65 -25.542 9.370 -12.370 1.00 33.10 H new ATOM 0 HG11 VAL A 65 -25.481 10.614 -10.248 1.00 53.12 H new ATOM 0 HG12 VAL A 65 -25.887 8.899 -9.998 1.00 53.12 H new ATOM 0 HG13 VAL A 65 -24.249 9.489 -9.629 1.00 53.12 H new ATOM 0 HG21 VAL A 65 -24.023 11.290 -12.123 1.00 43.52 H new ATOM 0 HG22 VAL A 65 -22.731 10.193 -11.583 1.00 43.52 H new ATOM 0 HG23 VAL A 65 -23.368 10.069 -13.239 1.00 43.52 H new ATOM 683 N ASP A 66 -25.149 6.346 -10.215 1.00 11.21 N ATOM 684 CA ASP A 66 -26.143 5.402 -9.718 1.00 61.55 C ATOM 685 C ASP A 66 -27.523 6.049 -9.653 1.00 23.22 C ATOM 686 O ASP A 66 -27.758 7.098 -10.255 1.00 24.43 O ATOM 687 CB ASP A 66 -25.742 4.886 -8.336 1.00 25.33 C ATOM 688 CG ASP A 66 -25.860 5.951 -7.264 1.00 4.24 C ATOM 689 OD1 ASP A 66 -25.934 7.145 -7.620 1.00 54.44 O ATOM 690 OD2 ASP A 66 -25.876 5.591 -6.068 1.00 32.12 O ATOM 0 H ASP A 66 -24.403 6.560 -9.553 1.00 11.21 H new ATOM 0 HA ASP A 66 -26.188 4.562 -10.411 1.00 61.55 H new ATOM 0 HB2 ASP A 66 -26.372 4.037 -8.071 1.00 25.33 H new ATOM 0 HB3 ASP A 66 -24.715 4.522 -8.371 1.00 25.33 H new ATOM 695 N LEU A 67 -28.432 5.417 -8.919 1.00 55.13 N ATOM 696 CA LEU A 67 -29.790 5.931 -8.775 1.00 73.35 C ATOM 697 C LEU A 67 -29.913 6.805 -7.532 1.00 21.04 C ATOM 698 O LEU A 67 -31.006 6.993 -6.998 1.00 52.43 O ATOM 699 CB LEU A 67 -30.789 4.774 -8.700 1.00 42.34 C ATOM 700 CG LEU A 67 -30.411 3.621 -7.770 1.00 71.24 C ATOM 701 CD1 LEU A 67 -29.468 2.656 -8.472 1.00 44.42 C ATOM 702 CD2 LEU A 67 -29.780 4.151 -6.491 1.00 50.55 C ATOM 0 H LEU A 67 -28.254 4.549 -8.415 1.00 55.13 H new ATOM 0 HA LEU A 67 -30.015 6.542 -9.649 1.00 73.35 H new ATOM 0 HB2 LEU A 67 -31.752 5.172 -8.380 1.00 42.34 H new ATOM 0 HB3 LEU A 67 -30.927 4.374 -9.704 1.00 42.34 H new ATOM 0 HG LEU A 67 -31.320 3.081 -7.505 1.00 71.24 H new ATOM 0 HD11 LEU A 67 -29.210 1.842 -7.795 1.00 44.42 H new ATOM 0 HD12 LEU A 67 -29.956 2.250 -9.358 1.00 44.42 H new ATOM 0 HD13 LEU A 67 -28.561 3.184 -8.767 1.00 44.42 H new ATOM 0 HD21 LEU A 67 -29.518 3.316 -5.842 1.00 50.55 H new ATOM 0 HD22 LEU A 67 -28.881 4.716 -6.736 1.00 50.55 H new ATOM 0 HD23 LEU A 67 -30.489 4.801 -5.978 1.00 50.55 H new ATOM 714 N SER A 68 -28.784 7.338 -7.076 1.00 1.23 N ATOM 715 CA SER A 68 -28.764 8.192 -5.894 1.00 33.24 C ATOM 716 C SER A 68 -29.516 7.537 -4.738 1.00 41.25 C ATOM 717 O SER A 68 -30.519 8.065 -4.258 1.00 30.23 O ATOM 718 CB SER A 68 -29.383 9.554 -6.212 1.00 44.42 C ATOM 719 OG SER A 68 -29.103 9.942 -7.546 1.00 43.11 O ATOM 0 H SER A 68 -27.871 7.194 -7.507 1.00 1.23 H new ATOM 0 HA SER A 68 -27.725 8.334 -5.596 1.00 33.24 H new ATOM 0 HB2 SER A 68 -30.462 9.511 -6.061 1.00 44.42 H new ATOM 0 HB3 SER A 68 -28.994 10.304 -5.523 1.00 44.42 H new ATOM 0 HG SER A 68 -29.511 10.815 -7.725 1.00 43.11 H new ATOM 725 N ASP A 69 -29.023 6.385 -4.298 1.00 73.32 N ATOM 726 CA ASP A 69 -29.646 5.657 -3.199 1.00 35.02 C ATOM 727 C ASP A 69 -29.326 6.315 -1.861 1.00 11.55 C ATOM 728 O ASP A 69 -28.236 6.855 -1.668 1.00 54.11 O ATOM 729 CB ASP A 69 -29.176 4.202 -3.191 1.00 31.33 C ATOM 730 CG ASP A 69 -30.322 3.222 -3.348 1.00 72.12 C ATOM 731 OD1 ASP A 69 -31.448 3.551 -2.918 1.00 62.21 O ATOM 732 OD2 ASP A 69 -30.094 2.126 -3.902 1.00 41.52 O ATOM 0 H ASP A 69 -28.194 5.935 -4.685 1.00 73.32 H new ATOM 0 HA ASP A 69 -30.726 5.681 -3.346 1.00 35.02 H new ATOM 0 HB2 ASP A 69 -28.459 4.050 -3.998 1.00 31.33 H new ATOM 0 HB3 ASP A 69 -28.652 3.998 -2.257 1.00 31.33 H new ATOM 737 N ASP A 70 -30.283 6.268 -0.940 1.00 5.12 N ATOM 738 CA ASP A 70 -30.103 6.860 0.381 1.00 44.13 C ATOM 739 C ASP A 70 -29.142 6.026 1.224 1.00 55.43 C ATOM 740 O ASP A 70 -28.745 6.434 2.314 1.00 22.32 O ATOM 741 CB ASP A 70 -31.449 6.986 1.094 1.00 15.43 C ATOM 742 CG ASP A 70 -32.489 7.695 0.248 1.00 61.41 C ATOM 743 OD1 ASP A 70 -32.354 8.919 0.046 1.00 54.34 O ATOM 744 OD2 ASP A 70 -33.437 7.024 -0.211 1.00 55.34 O ATOM 0 H ASP A 70 -31.191 5.826 -1.084 1.00 5.12 H new ATOM 0 HA ASP A 70 -29.675 7.854 0.252 1.00 44.13 H new ATOM 0 HB2 ASP A 70 -31.813 5.992 1.355 1.00 15.43 H new ATOM 0 HB3 ASP A 70 -31.312 7.531 2.028 1.00 15.43 H new ATOM 749 N ASN A 71 -28.775 4.857 0.710 1.00 32.24 N ATOM 750 CA ASN A 71 -27.863 3.965 1.417 1.00 70.32 C ATOM 751 C ASN A 71 -26.587 3.743 0.611 1.00 25.32 C ATOM 752 O ASN A 71 -25.619 3.167 1.108 1.00 21.43 O ATOM 753 CB ASN A 71 -28.543 2.623 1.696 1.00 30.11 C ATOM 754 CG ASN A 71 -28.442 1.668 0.522 1.00 0.13 C ATOM 755 OD1 ASN A 71 -27.585 0.785 0.498 1.00 21.34 O ATOM 756 ND2 ASN A 71 -29.319 1.842 -0.459 1.00 54.31 N ATOM 0 H ASN A 71 -29.095 4.505 -0.193 1.00 32.24 H new ATOM 0 HA ASN A 71 -27.597 4.434 2.364 1.00 70.32 H new ATOM 0 HB2 ASN A 71 -28.088 2.164 2.574 1.00 30.11 H new ATOM 0 HB3 ASN A 71 -29.593 2.793 1.933 1.00 30.11 H new ATOM 0 HD21 ASN A 71 -29.300 1.230 -1.275 1.00 54.31 H new ATOM 0 HD22 ASN A 71 -30.012 2.587 -0.397 1.00 54.31 H new ATOM 763 N SER A 72 -26.592 4.204 -0.635 1.00 50.42 N ATOM 764 CA SER A 72 -25.436 4.054 -1.511 1.00 71.23 C ATOM 765 C SER A 72 -24.889 5.416 -1.928 1.00 75.34 C ATOM 766 O SER A 72 -23.835 5.843 -1.462 1.00 4.34 O ATOM 767 CB SER A 72 -25.812 3.241 -2.752 1.00 32.25 C ATOM 768 OG SER A 72 -26.301 1.960 -2.393 1.00 23.11 O ATOM 0 H SER A 72 -27.384 4.685 -1.061 1.00 50.42 H new ATOM 0 HA SER A 72 -24.660 3.524 -0.959 1.00 71.23 H new ATOM 0 HB2 SER A 72 -26.570 3.776 -3.325 1.00 32.25 H new ATOM 0 HB3 SER A 72 -24.941 3.133 -3.398 1.00 32.25 H new ATOM 0 HG SER A 72 -26.536 1.461 -3.203 1.00 23.11 H new ATOM 774 N GLY A 73 -25.617 6.093 -2.812 1.00 64.11 N ATOM 775 CA GLY A 73 -25.190 7.399 -3.278 1.00 43.24 C ATOM 776 C GLY A 73 -23.753 7.401 -3.762 1.00 0.22 C ATOM 777 O GLY A 73 -22.831 7.673 -2.992 1.00 71.42 O ATOM 0 H GLY A 73 -26.494 5.760 -3.213 1.00 64.11 H new ATOM 0 HA2 GLY A 73 -25.843 7.724 -4.088 1.00 43.24 H new ATOM 0 HA3 GLY A 73 -25.299 8.123 -2.471 1.00 43.24 H new ATOM 781 N LYS A 74 -23.560 7.096 -5.041 1.00 13.14 N ATOM 782 CA LYS A 74 -22.226 7.063 -5.627 1.00 62.11 C ATOM 783 C LYS A 74 -22.284 7.328 -7.128 1.00 74.01 C ATOM 784 O LYS A 74 -23.358 7.546 -7.688 1.00 34.02 O ATOM 785 CB LYS A 74 -21.564 5.709 -5.363 1.00 63.30 C ATOM 786 CG LYS A 74 -22.276 4.544 -6.028 1.00 64.45 C ATOM 787 CD LYS A 74 -22.519 3.407 -5.050 1.00 72.32 C ATOM 788 CE LYS A 74 -22.092 2.069 -5.633 1.00 64.51 C ATOM 789 NZ LYS A 74 -20.647 1.796 -5.394 1.00 72.35 N ATOM 0 H LYS A 74 -24.312 6.868 -5.692 1.00 13.14 H new ATOM 0 HA LYS A 74 -21.632 7.849 -5.160 1.00 62.11 H new ATOM 0 HB2 LYS A 74 -20.533 5.743 -5.716 1.00 63.30 H new ATOM 0 HB3 LYS A 74 -21.527 5.535 -4.288 1.00 63.30 H new ATOM 0 HG2 LYS A 74 -23.228 4.883 -6.436 1.00 64.45 H new ATOM 0 HG3 LYS A 74 -21.680 4.183 -6.866 1.00 64.45 H new ATOM 0 HD2 LYS A 74 -21.969 3.595 -4.128 1.00 72.32 H new ATOM 0 HD3 LYS A 74 -23.577 3.370 -4.789 1.00 72.32 H new ATOM 0 HE2 LYS A 74 -22.690 1.272 -5.191 1.00 64.51 H new ATOM 0 HE3 LYS A 74 -22.291 2.059 -6.705 1.00 64.51 H new ATOM 0 HZ1 LYS A 74 -20.395 0.875 -5.806 1.00 72.35 H new ATOM 0 HZ2 LYS A 74 -20.075 2.542 -5.838 1.00 72.35 H new ATOM 0 HZ3 LYS A 74 -20.461 1.780 -4.371 1.00 72.35 H new ATOM 803 N ALA A 75 -21.123 7.306 -7.774 1.00 51.10 N ATOM 804 CA ALA A 75 -21.043 7.540 -9.210 1.00 55.55 C ATOM 805 C ALA A 75 -19.656 7.202 -9.746 1.00 34.21 C ATOM 806 O ALA A 75 -18.768 6.807 -8.990 1.00 71.33 O ATOM 807 CB ALA A 75 -21.396 8.986 -9.530 1.00 33.32 C ATOM 0 H ALA A 75 -20.225 7.128 -7.325 1.00 51.10 H new ATOM 0 HA ALA A 75 -21.763 6.884 -9.700 1.00 55.55 H new ATOM 0 HB1 ALA A 75 -21.332 9.147 -10.606 1.00 33.32 H new ATOM 0 HB2 ALA A 75 -22.410 9.196 -9.191 1.00 33.32 H new ATOM 0 HB3 ALA A 75 -20.698 9.652 -9.022 1.00 33.32 H new ATOM 813 N TYR A 76 -19.478 7.358 -11.053 1.00 4.33 N ATOM 814 CA TYR A 76 -18.199 7.066 -11.690 1.00 21.24 C ATOM 815 C TYR A 76 -17.929 8.032 -12.839 1.00 10.32 C ATOM 816 O TYR A 76 -18.761 8.201 -13.731 1.00 0.12 O ATOM 817 CB TYR A 76 -18.179 5.626 -12.204 1.00 73.44 C ATOM 818 CG TYR A 76 -18.931 4.656 -11.320 1.00 41.34 C ATOM 819 CD1 TYR A 76 -20.301 4.473 -11.464 1.00 4.04 C ATOM 820 CD2 TYR A 76 -18.271 3.923 -10.342 1.00 63.31 C ATOM 821 CE1 TYR A 76 -20.991 3.589 -10.658 1.00 12.05 C ATOM 822 CE2 TYR A 76 -18.953 3.035 -9.532 1.00 40.34 C ATOM 823 CZ TYR A 76 -20.313 2.872 -9.694 1.00 11.44 C ATOM 824 OH TYR A 76 -20.997 1.990 -8.890 1.00 32.24 O ATOM 0 H TYR A 76 -20.203 7.685 -11.692 1.00 4.33 H new ATOM 0 HA TYR A 76 -17.414 7.190 -10.944 1.00 21.24 H new ATOM 0 HB2 TYR A 76 -18.609 5.601 -13.205 1.00 73.44 H new ATOM 0 HB3 TYR A 76 -17.144 5.296 -12.293 1.00 73.44 H new ATOM 0 HD1 TYR A 76 -20.835 5.031 -12.219 1.00 4.04 H new ATOM 0 HD2 TYR A 76 -17.206 4.049 -10.212 1.00 63.31 H new ATOM 0 HE1 TYR A 76 -22.056 3.460 -10.782 1.00 12.05 H new ATOM 0 HE2 TYR A 76 -18.424 2.472 -8.777 1.00 40.34 H new ATOM 0 HH TYR A 76 -20.373 1.566 -8.265 1.00 32.24 H new ATOM 834 N ILE A 77 -16.760 8.664 -12.810 1.00 32.40 N ATOM 835 CA ILE A 77 -16.379 9.612 -13.849 1.00 61.23 C ATOM 836 C ILE A 77 -15.284 9.038 -14.742 1.00 73.34 C ATOM 837 O ILE A 77 -14.142 8.871 -14.314 1.00 52.11 O ATOM 838 CB ILE A 77 -15.889 10.941 -13.246 1.00 41.41 C ATOM 839 CG1 ILE A 77 -16.878 11.444 -12.193 1.00 32.14 C ATOM 840 CG2 ILE A 77 -15.698 11.981 -14.340 1.00 53.13 C ATOM 841 CD1 ILE A 77 -16.473 12.757 -11.561 1.00 2.13 C ATOM 0 H ILE A 77 -16.061 8.536 -12.078 1.00 32.40 H new ATOM 0 HA ILE A 77 -17.271 9.800 -14.447 1.00 61.23 H new ATOM 0 HB ILE A 77 -14.927 10.770 -12.762 1.00 41.41 H new ATOM 0 HG12 ILE A 77 -17.859 11.559 -12.654 1.00 32.14 H new ATOM 0 HG13 ILE A 77 -16.979 10.690 -11.412 1.00 32.14 H new ATOM 0 HG21 ILE A 77 -15.351 12.915 -13.898 1.00 53.13 H new ATOM 0 HG22 ILE A 77 -14.959 11.623 -15.057 1.00 53.13 H new ATOM 0 HG23 ILE A 77 -16.646 12.151 -14.850 1.00 53.13 H new ATOM 0 HD11 ILE A 77 -17.220 13.052 -10.825 1.00 2.13 H new ATOM 0 HD12 ILE A 77 -15.506 12.642 -11.071 1.00 2.13 H new ATOM 0 HD13 ILE A 77 -16.400 13.524 -12.332 1.00 2.13 H new ATOM 853 N VAL A 78 -15.640 8.738 -15.988 1.00 15.05 N ATOM 854 CA VAL A 78 -14.688 8.185 -16.943 1.00 51.31 C ATOM 855 C VAL A 78 -13.898 9.291 -17.634 1.00 2.14 C ATOM 856 O VAL A 78 -14.474 10.211 -18.214 1.00 51.13 O ATOM 857 CB VAL A 78 -15.396 7.332 -18.012 1.00 35.33 C ATOM 858 CG1 VAL A 78 -14.378 6.596 -18.869 1.00 60.01 C ATOM 859 CG2 VAL A 78 -16.361 6.354 -17.358 1.00 72.33 C ATOM 0 H VAL A 78 -16.581 8.869 -16.359 1.00 15.05 H new ATOM 0 HA VAL A 78 -14.004 7.552 -16.377 1.00 51.31 H new ATOM 0 HB VAL A 78 -15.969 7.995 -18.660 1.00 35.33 H new ATOM 0 HG11 VAL A 78 -14.897 5.999 -19.618 1.00 60.01 H new ATOM 0 HG12 VAL A 78 -13.730 7.318 -19.366 1.00 60.01 H new ATOM 0 HG13 VAL A 78 -13.776 5.943 -18.238 1.00 60.01 H new ATOM 0 HG21 VAL A 78 -16.853 5.759 -18.127 1.00 72.33 H new ATOM 0 HG22 VAL A 78 -15.811 5.695 -16.686 1.00 72.33 H new ATOM 0 HG23 VAL A 78 -17.111 6.906 -16.792 1.00 72.33 H new ATOM 869 N PHE A 79 -12.574 9.195 -17.567 1.00 30.20 N ATOM 870 CA PHE A 79 -11.703 10.187 -18.186 1.00 12.54 C ATOM 871 C PHE A 79 -10.994 9.605 -19.405 1.00 20.35 C ATOM 872 O PHE A 79 -11.188 8.440 -19.751 1.00 30.12 O ATOM 873 CB PHE A 79 -10.672 10.693 -17.175 1.00 22.14 C ATOM 874 CG PHE A 79 -11.242 11.641 -16.159 1.00 55.01 C ATOM 875 CD1 PHE A 79 -11.326 12.997 -16.429 1.00 15.54 C ATOM 876 CD2 PHE A 79 -11.694 11.176 -14.935 1.00 35.23 C ATOM 877 CE1 PHE A 79 -11.851 13.873 -15.496 1.00 75.34 C ATOM 878 CE2 PHE A 79 -12.221 12.046 -13.999 1.00 3.11 C ATOM 879 CZ PHE A 79 -12.298 13.396 -14.280 1.00 12.35 C ATOM 0 H PHE A 79 -12.081 8.440 -17.090 1.00 30.20 H new ATOM 0 HA PHE A 79 -12.322 11.023 -18.513 1.00 12.54 H new ATOM 0 HB2 PHE A 79 -10.233 9.840 -16.658 1.00 22.14 H new ATOM 0 HB3 PHE A 79 -9.864 11.191 -17.711 1.00 22.14 H new ATOM 0 HD1 PHE A 79 -10.978 13.375 -17.379 1.00 15.54 H new ATOM 0 HD2 PHE A 79 -11.634 10.122 -14.709 1.00 35.23 H new ATOM 0 HE1 PHE A 79 -11.911 14.928 -15.718 1.00 75.34 H new ATOM 0 HE2 PHE A 79 -12.572 11.671 -13.049 1.00 3.11 H new ATOM 0 HZ PHE A 79 -12.707 14.078 -13.549 1.00 12.35 H new ATOM 889 N ALA A 80 -10.172 10.424 -20.051 1.00 43.52 N ATOM 890 CA ALA A 80 -9.432 9.991 -21.230 1.00 54.13 C ATOM 891 C ALA A 80 -8.428 8.899 -20.878 1.00 32.12 C ATOM 892 O ALA A 80 -8.261 7.931 -21.620 1.00 75.43 O ATOM 893 CB ALA A 80 -8.724 11.174 -21.873 1.00 52.35 C ATOM 0 H ALA A 80 -10.001 11.392 -19.778 1.00 43.52 H new ATOM 0 HA ALA A 80 -10.145 9.577 -21.943 1.00 54.13 H new ATOM 0 HB1 ALA A 80 -8.175 10.836 -22.752 1.00 52.35 H new ATOM 0 HB2 ALA A 80 -9.460 11.921 -22.170 1.00 52.35 H new ATOM 0 HB3 ALA A 80 -8.028 11.614 -21.158 1.00 52.35 H new ATOM 899 N THR A 81 -7.760 9.061 -19.740 1.00 62.40 N ATOM 900 CA THR A 81 -6.771 8.090 -19.290 1.00 65.52 C ATOM 901 C THR A 81 -6.406 8.314 -17.827 1.00 63.22 C ATOM 902 O THR A 81 -6.732 9.350 -17.249 1.00 43.23 O ATOM 903 CB THR A 81 -5.490 8.156 -20.143 1.00 5.31 C ATOM 904 OG1 THR A 81 -5.659 9.097 -21.209 1.00 52.11 O ATOM 905 CG2 THR A 81 -5.149 6.789 -20.716 1.00 21.11 C ATOM 0 H THR A 81 -7.886 9.856 -19.113 1.00 62.40 H new ATOM 0 HA THR A 81 -7.223 7.104 -19.402 1.00 65.52 H new ATOM 0 HB THR A 81 -4.670 8.478 -19.501 1.00 5.31 H new ATOM 0 HG1 THR A 81 -4.840 9.134 -21.746 1.00 52.11 H new ATOM 0 HG21 THR A 81 -4.241 6.862 -21.314 1.00 21.11 H new ATOM 0 HG22 THR A 81 -4.991 6.082 -19.901 1.00 21.11 H new ATOM 0 HG23 THR A 81 -5.970 6.442 -21.343 1.00 21.11 H new ATOM 913 N GLN A 82 -5.727 7.336 -17.235 1.00 14.33 N ATOM 914 CA GLN A 82 -5.319 7.429 -15.838 1.00 65.51 C ATOM 915 C GLN A 82 -4.568 8.730 -15.575 1.00 52.03 C ATOM 916 O GLN A 82 -4.604 9.264 -14.468 1.00 4.44 O ATOM 917 CB GLN A 82 -4.440 6.234 -15.462 1.00 44.42 C ATOM 918 CG GLN A 82 -4.605 5.788 -14.018 1.00 45.24 C ATOM 919 CD GLN A 82 -3.663 6.509 -13.074 1.00 13.14 C ATOM 920 OE1 GLN A 82 -2.932 7.414 -13.478 1.00 33.13 O ATOM 921 NE2 GLN A 82 -3.676 6.111 -11.807 1.00 14.43 N ATOM 0 H GLN A 82 -5.448 6.472 -17.700 1.00 14.33 H new ATOM 0 HA GLN A 82 -6.218 7.419 -15.222 1.00 65.51 H new ATOM 0 HB2 GLN A 82 -4.676 5.398 -16.121 1.00 44.42 H new ATOM 0 HB3 GLN A 82 -3.396 6.493 -15.637 1.00 44.42 H new ATOM 0 HG2 GLN A 82 -5.634 5.963 -13.703 1.00 45.24 H new ATOM 0 HG3 GLN A 82 -4.429 4.714 -13.951 1.00 45.24 H new ATOM 0 HE21 GLN A 82 -4.298 5.357 -11.516 1.00 14.43 H new ATOM 0 HE22 GLN A 82 -3.064 6.559 -11.125 1.00 14.43 H new ATOM 930 N GLU A 83 -3.890 9.234 -16.602 1.00 24.25 N ATOM 931 CA GLU A 83 -3.130 10.472 -16.480 1.00 3.43 C ATOM 932 C GLU A 83 -4.025 11.617 -16.014 1.00 35.41 C ATOM 933 O GLU A 83 -3.722 12.297 -15.034 1.00 40.32 O ATOM 934 CB GLU A 83 -2.479 10.831 -17.817 1.00 54.44 C ATOM 935 CG GLU A 83 -1.002 10.483 -17.889 1.00 32.11 C ATOM 936 CD GLU A 83 -0.332 11.033 -19.133 1.00 55.31 C ATOM 937 OE1 GLU A 83 -0.359 12.267 -19.324 1.00 11.44 O ATOM 938 OE2 GLU A 83 0.218 10.231 -19.916 1.00 14.02 O ATOM 0 H GLU A 83 -3.852 8.804 -17.526 1.00 24.25 H new ATOM 0 HA GLU A 83 -2.350 10.317 -15.734 1.00 3.43 H new ATOM 0 HB2 GLU A 83 -3.005 10.312 -18.618 1.00 54.44 H new ATOM 0 HB3 GLU A 83 -2.601 11.899 -17.995 1.00 54.44 H new ATOM 0 HG2 GLU A 83 -0.497 10.875 -17.006 1.00 32.11 H new ATOM 0 HG3 GLU A 83 -0.887 9.399 -17.868 1.00 32.11 H new ATOM 945 N SER A 84 -5.130 11.822 -16.724 1.00 12.22 N ATOM 946 CA SER A 84 -6.069 12.886 -16.387 1.00 5.33 C ATOM 947 C SER A 84 -6.860 12.535 -15.131 1.00 30.13 C ATOM 948 O SER A 84 -7.024 13.363 -14.235 1.00 55.04 O ATOM 949 CB SER A 84 -7.026 13.139 -17.553 1.00 12.03 C ATOM 950 OG SER A 84 -6.650 14.295 -18.281 1.00 4.03 O ATOM 0 H SER A 84 -5.397 11.265 -17.536 1.00 12.22 H new ATOM 0 HA SER A 84 -5.497 13.793 -16.193 1.00 5.33 H new ATOM 0 HB2 SER A 84 -7.032 12.274 -18.216 1.00 12.03 H new ATOM 0 HB3 SER A 84 -8.041 13.258 -17.175 1.00 12.03 H new ATOM 0 HG SER A 84 -7.277 14.433 -19.022 1.00 4.03 H new ATOM 956 N ALA A 85 -7.348 11.300 -15.073 1.00 13.22 N ATOM 957 CA ALA A 85 -8.121 10.837 -13.927 1.00 2.23 C ATOM 958 C ALA A 85 -7.366 11.075 -12.623 1.00 41.34 C ATOM 959 O ALA A 85 -7.877 11.723 -11.710 1.00 25.21 O ATOM 960 CB ALA A 85 -8.460 9.362 -14.080 1.00 74.04 C ATOM 0 H ALA A 85 -7.222 10.602 -15.806 1.00 13.22 H new ATOM 0 HA ALA A 85 -9.048 11.410 -13.890 1.00 2.23 H new ATOM 0 HB1 ALA A 85 -9.037 9.030 -13.217 1.00 74.04 H new ATOM 0 HB2 ALA A 85 -9.046 9.216 -14.987 1.00 74.04 H new ATOM 0 HB3 ALA A 85 -7.539 8.782 -14.146 1.00 74.04 H new ATOM 966 N GLN A 86 -6.149 10.547 -12.545 1.00 2.11 N ATOM 967 CA GLN A 86 -5.325 10.702 -11.352 1.00 21.21 C ATOM 968 C GLN A 86 -5.197 12.172 -10.965 1.00 73.42 C ATOM 969 O GLN A 86 -5.265 12.522 -9.787 1.00 63.44 O ATOM 970 CB GLN A 86 -3.937 10.101 -11.583 1.00 74.30 C ATOM 971 CG GLN A 86 -2.954 10.391 -10.461 1.00 30.23 C ATOM 972 CD GLN A 86 -1.994 11.513 -10.802 1.00 2.23 C ATOM 973 OE1 GLN A 86 -2.304 12.387 -11.612 1.00 74.20 O ATOM 974 NE2 GLN A 86 -0.819 11.496 -10.183 1.00 63.34 N ATOM 0 H GLN A 86 -5.712 10.009 -13.293 1.00 2.11 H new ATOM 0 HA GLN A 86 -5.812 10.171 -10.534 1.00 21.21 H new ATOM 0 HB2 GLN A 86 -4.033 9.022 -11.701 1.00 74.30 H new ATOM 0 HB3 GLN A 86 -3.533 10.489 -12.518 1.00 74.30 H new ATOM 0 HG2 GLN A 86 -3.506 10.652 -9.558 1.00 30.23 H new ATOM 0 HG3 GLN A 86 -2.386 9.488 -10.238 1.00 30.23 H new ATOM 0 HE21 GLN A 86 -0.603 10.753 -9.519 1.00 63.34 H new ATOM 0 HE22 GLN A 86 -0.132 12.226 -10.372 1.00 63.34 H new ATOM 983 N ALA A 87 -5.012 13.027 -11.965 1.00 54.40 N ATOM 984 CA ALA A 87 -4.877 14.459 -11.730 1.00 10.55 C ATOM 985 C ALA A 87 -6.116 15.022 -11.041 1.00 41.10 C ATOM 986 O ALA A 87 -6.014 15.735 -10.042 1.00 64.41 O ATOM 987 CB ALA A 87 -4.623 15.188 -13.041 1.00 2.22 C ATOM 0 H ALA A 87 -4.952 12.753 -12.946 1.00 54.40 H new ATOM 0 HA ALA A 87 -4.024 14.614 -11.070 1.00 10.55 H new ATOM 0 HB1 ALA A 87 -4.524 16.257 -12.850 1.00 2.22 H new ATOM 0 HB2 ALA A 87 -3.705 14.814 -13.493 1.00 2.22 H new ATOM 0 HB3 ALA A 87 -5.458 15.017 -13.720 1.00 2.22 H new ATOM 993 N PHE A 88 -7.286 14.698 -11.582 1.00 1.45 N ATOM 994 CA PHE A 88 -8.545 15.173 -11.020 1.00 11.32 C ATOM 995 C PHE A 88 -8.785 14.572 -9.638 1.00 12.31 C ATOM 996 O PHE A 88 -9.339 15.224 -8.753 1.00 12.13 O ATOM 997 CB PHE A 88 -9.708 14.822 -11.950 1.00 62.22 C ATOM 998 CG PHE A 88 -11.059 15.050 -11.334 1.00 45.44 C ATOM 999 CD1 PHE A 88 -11.674 14.055 -10.593 1.00 22.04 C ATOM 1000 CD2 PHE A 88 -11.713 16.261 -11.498 1.00 32.43 C ATOM 1001 CE1 PHE A 88 -12.917 14.262 -10.024 1.00 44.12 C ATOM 1002 CE2 PHE A 88 -12.956 16.474 -10.931 1.00 62.34 C ATOM 1003 CZ PHE A 88 -13.559 15.473 -10.195 1.00 22.22 C ATOM 0 H PHE A 88 -7.388 14.109 -12.408 1.00 1.45 H new ATOM 0 HA PHE A 88 -8.483 16.257 -10.920 1.00 11.32 H new ATOM 0 HB2 PHE A 88 -9.627 15.417 -12.860 1.00 62.22 H new ATOM 0 HB3 PHE A 88 -9.624 13.776 -12.245 1.00 62.22 H new ATOM 0 HD1 PHE A 88 -11.177 13.106 -10.458 1.00 22.04 H new ATOM 0 HD2 PHE A 88 -11.247 17.046 -12.075 1.00 32.43 H new ATOM 0 HE1 PHE A 88 -13.385 13.478 -9.447 1.00 44.12 H new ATOM 0 HE2 PHE A 88 -13.455 17.423 -11.064 1.00 62.34 H new ATOM 0 HZ PHE A 88 -14.531 15.637 -9.754 1.00 22.22 H new ATOM 1013 N VAL A 89 -8.364 13.324 -9.461 1.00 34.21 N ATOM 1014 CA VAL A 89 -8.532 12.634 -8.188 1.00 35.43 C ATOM 1015 C VAL A 89 -7.748 13.326 -7.079 1.00 42.43 C ATOM 1016 O VAL A 89 -8.262 13.538 -5.982 1.00 4.55 O ATOM 1017 CB VAL A 89 -8.079 11.165 -8.281 1.00 73.44 C ATOM 1018 CG1 VAL A 89 -8.192 10.483 -6.926 1.00 4.40 C ATOM 1019 CG2 VAL A 89 -8.894 10.422 -9.330 1.00 20.03 C ATOM 0 H VAL A 89 -7.904 12.770 -10.183 1.00 34.21 H new ATOM 0 HA VAL A 89 -9.595 12.665 -7.951 1.00 35.43 H new ATOM 0 HB VAL A 89 -7.032 11.145 -8.584 1.00 73.44 H new ATOM 0 HG11 VAL A 89 -7.867 9.446 -7.012 1.00 4.40 H new ATOM 0 HG12 VAL A 89 -7.561 11.002 -6.204 1.00 4.40 H new ATOM 0 HG13 VAL A 89 -9.228 10.512 -6.589 1.00 4.40 H new ATOM 0 HG21 VAL A 89 -8.561 9.386 -9.383 1.00 20.03 H new ATOM 0 HG22 VAL A 89 -9.949 10.451 -9.058 1.00 20.03 H new ATOM 0 HG23 VAL A 89 -8.756 10.897 -10.301 1.00 20.03 H new ATOM 1029 N GLU A 90 -6.500 13.677 -7.375 1.00 51.23 N ATOM 1030 CA GLU A 90 -5.644 14.346 -6.403 1.00 13.34 C ATOM 1031 C GLU A 90 -5.945 15.841 -6.351 1.00 12.44 C ATOM 1032 O GLU A 90 -5.649 16.511 -5.361 1.00 72.24 O ATOM 1033 CB GLU A 90 -4.170 14.123 -6.748 1.00 55.22 C ATOM 1034 CG GLU A 90 -3.812 12.664 -6.971 1.00 24.43 C ATOM 1035 CD GLU A 90 -3.771 11.870 -5.679 1.00 61.55 C ATOM 1036 OE1 GLU A 90 -4.825 11.752 -5.021 1.00 74.54 O ATOM 1037 OE2 GLU A 90 -2.684 11.366 -5.328 1.00 25.24 O ATOM 0 H GLU A 90 -6.060 13.509 -8.280 1.00 51.23 H new ATOM 0 HA GLU A 90 -5.848 13.917 -5.422 1.00 13.34 H new ATOM 0 HB2 GLU A 90 -3.926 14.690 -7.647 1.00 55.22 H new ATOM 0 HB3 GLU A 90 -3.553 14.521 -5.943 1.00 55.22 H new ATOM 0 HG2 GLU A 90 -4.540 12.214 -7.647 1.00 24.43 H new ATOM 0 HG3 GLU A 90 -2.841 12.603 -7.462 1.00 24.43 H new ATOM 1044 N ALA A 91 -6.535 16.358 -7.424 1.00 30.12 N ATOM 1045 CA ALA A 91 -6.878 17.773 -7.501 1.00 25.43 C ATOM 1046 C ALA A 91 -8.109 18.086 -6.657 1.00 62.14 C ATOM 1047 O ALA A 91 -8.319 19.228 -6.248 1.00 20.10 O ATOM 1048 CB ALA A 91 -7.108 18.182 -8.948 1.00 35.32 C ATOM 0 H ALA A 91 -6.785 15.818 -8.252 1.00 30.12 H new ATOM 0 HA ALA A 91 -6.042 18.347 -7.102 1.00 25.43 H new ATOM 0 HB1 ALA A 91 -7.363 19.241 -8.991 1.00 35.32 H new ATOM 0 HB2 ALA A 91 -6.201 18.004 -9.525 1.00 35.32 H new ATOM 0 HB3 ALA A 91 -7.925 17.595 -9.367 1.00 35.32 H new ATOM 1054 N PHE A 92 -8.920 17.065 -6.402 1.00 15.33 N ATOM 1055 CA PHE A 92 -10.133 17.233 -5.608 1.00 65.42 C ATOM 1056 C PHE A 92 -10.154 16.256 -4.436 1.00 10.33 C ATOM 1057 O PHE A 92 -11.141 16.169 -3.707 1.00 35.35 O ATOM 1058 CB PHE A 92 -11.372 17.026 -6.482 1.00 22.35 C ATOM 1059 CG PHE A 92 -11.618 18.149 -7.448 1.00 73.30 C ATOM 1060 CD1 PHE A 92 -10.723 18.407 -8.473 1.00 43.40 C ATOM 1061 CD2 PHE A 92 -12.745 18.946 -7.331 1.00 54.01 C ATOM 1062 CE1 PHE A 92 -10.947 19.440 -9.364 1.00 64.24 C ATOM 1063 CE2 PHE A 92 -12.975 19.979 -8.220 1.00 1.43 C ATOM 1064 CZ PHE A 92 -12.074 20.227 -9.237 1.00 1.42 C ATOM 0 H PHE A 92 -8.760 16.113 -6.733 1.00 15.33 H new ATOM 0 HA PHE A 92 -10.142 18.249 -5.212 1.00 65.42 H new ATOM 0 HB2 PHE A 92 -11.263 16.096 -7.039 1.00 22.35 H new ATOM 0 HB3 PHE A 92 -12.245 16.912 -5.840 1.00 22.35 H new ATOM 0 HD1 PHE A 92 -9.840 17.794 -8.577 1.00 43.40 H new ATOM 0 HD2 PHE A 92 -13.452 18.758 -6.536 1.00 54.01 H new ATOM 0 HE1 PHE A 92 -10.241 19.631 -10.159 1.00 64.24 H new ATOM 0 HE2 PHE A 92 -13.859 20.592 -8.119 1.00 1.43 H new ATOM 0 HZ PHE A 92 -12.251 21.035 -9.931 1.00 1.42 H new ATOM 1074 N GLN A 93 -9.058 15.525 -4.262 1.00 61.23 N ATOM 1075 CA GLN A 93 -8.951 14.554 -3.180 1.00 34.03 C ATOM 1076 C GLN A 93 -9.376 15.171 -1.851 1.00 44.32 C ATOM 1077 O GLN A 93 -9.936 14.493 -0.991 1.00 51.51 O ATOM 1078 CB GLN A 93 -7.519 14.028 -3.077 1.00 4.31 C ATOM 1079 CG GLN A 93 -7.231 13.296 -1.776 1.00 71.43 C ATOM 1080 CD GLN A 93 -5.821 12.742 -1.718 1.00 33.51 C ATOM 1081 OE1 GLN A 93 -4.872 13.460 -1.404 1.00 10.14 O ATOM 1082 NE2 GLN A 93 -5.677 11.457 -2.021 1.00 62.21 N ATOM 0 H GLN A 93 -8.231 15.587 -4.857 1.00 61.23 H new ATOM 0 HA GLN A 93 -9.620 13.723 -3.404 1.00 34.03 H new ATOM 0 HB2 GLN A 93 -7.327 13.355 -3.913 1.00 4.31 H new ATOM 0 HB3 GLN A 93 -6.826 14.864 -3.175 1.00 4.31 H new ATOM 0 HG2 GLN A 93 -7.384 13.977 -0.939 1.00 71.43 H new ATOM 0 HG3 GLN A 93 -7.943 12.479 -1.658 1.00 71.43 H new ATOM 0 HE21 GLN A 93 -6.492 10.899 -2.276 1.00 62.21 H new ATOM 0 HE22 GLN A 93 -4.752 11.028 -1.999 1.00 62.21 H new ATOM 1091 N GLY A 94 -9.104 16.463 -1.691 1.00 24.04 N ATOM 1092 CA GLY A 94 -9.464 17.150 -0.464 1.00 24.11 C ATOM 1093 C GLY A 94 -10.147 18.478 -0.722 1.00 72.13 C ATOM 1094 O GLY A 94 -9.642 19.531 -0.332 1.00 22.41 O ATOM 0 H GLY A 94 -8.641 17.046 -2.389 1.00 24.04 H new ATOM 0 HA2 GLY A 94 -10.125 16.514 0.125 1.00 24.11 H new ATOM 0 HA3 GLY A 94 -8.567 17.316 0.132 1.00 24.11 H new ATOM 1098 N TYR A 95 -11.298 18.430 -1.383 1.00 74.12 N ATOM 1099 CA TYR A 95 -12.050 19.639 -1.697 1.00 54.02 C ATOM 1100 C TYR A 95 -13.520 19.481 -1.318 1.00 63.42 C ATOM 1101 O TYR A 95 -14.144 18.449 -1.566 1.00 63.40 O ATOM 1102 CB TYR A 95 -11.929 19.968 -3.186 1.00 41.20 C ATOM 1103 CG TYR A 95 -12.746 21.168 -3.610 1.00 3.05 C ATOM 1104 CD1 TYR A 95 -14.097 21.043 -3.909 1.00 44.11 C ATOM 1105 CD2 TYR A 95 -12.166 22.427 -3.709 1.00 54.21 C ATOM 1106 CE1 TYR A 95 -14.846 22.137 -4.297 1.00 73.52 C ATOM 1107 CE2 TYR A 95 -12.909 23.527 -4.095 1.00 22.50 C ATOM 1108 CZ TYR A 95 -14.248 23.376 -4.388 1.00 70.04 C ATOM 1109 OH TYR A 95 -14.992 24.468 -4.773 1.00 62.12 O ATOM 0 H TYR A 95 -11.731 17.567 -1.712 1.00 74.12 H new ATOM 0 HA TYR A 95 -11.629 20.459 -1.115 1.00 54.02 H new ATOM 0 HB2 TYR A 95 -10.881 20.150 -3.425 1.00 41.20 H new ATOM 0 HB3 TYR A 95 -12.243 19.101 -3.768 1.00 41.20 H new ATOM 0 HD1 TYR A 95 -14.569 20.075 -3.837 1.00 44.11 H new ATOM 0 HD2 TYR A 95 -11.117 22.548 -3.481 1.00 54.21 H new ATOM 0 HE1 TYR A 95 -15.895 22.022 -4.528 1.00 73.52 H new ATOM 0 HE2 TYR A 95 -12.444 24.499 -4.167 1.00 22.50 H new ATOM 0 HH TYR A 95 -14.421 25.265 -4.786 1.00 62.12 H new ATOM 1119 N PRO A 96 -14.087 20.529 -0.703 1.00 30.44 N ATOM 1120 CA PRO A 96 -15.490 20.532 -0.277 1.00 3.24 C ATOM 1121 C PRO A 96 -16.454 20.579 -1.457 1.00 61.31 C ATOM 1122 O PRO A 96 -16.637 21.624 -2.081 1.00 13.32 O ATOM 1123 CB PRO A 96 -15.604 21.810 0.558 1.00 42.53 C ATOM 1124 CG PRO A 96 -14.528 22.700 0.037 1.00 23.34 C ATOM 1125 CD PRO A 96 -13.403 21.791 -0.375 1.00 70.14 C ATOM 0 HA PRO A 96 -15.753 19.625 0.268 1.00 3.24 H new ATOM 0 HB2 PRO A 96 -16.586 22.269 0.447 1.00 42.53 H new ATOM 0 HB3 PRO A 96 -15.467 21.603 1.619 1.00 42.53 H new ATOM 0 HG2 PRO A 96 -14.884 23.289 -0.809 1.00 23.34 H new ATOM 0 HG3 PRO A 96 -14.200 23.405 0.801 1.00 23.34 H new ATOM 0 HD2 PRO A 96 -12.859 22.188 -1.232 1.00 70.14 H new ATOM 0 HD3 PRO A 96 -12.679 21.658 0.429 1.00 70.14 H new ATOM 1133 N PHE A 97 -17.068 19.440 -1.759 1.00 32.44 N ATOM 1134 CA PHE A 97 -18.014 19.351 -2.865 1.00 62.41 C ATOM 1135 C PHE A 97 -19.291 18.637 -2.433 1.00 15.23 C ATOM 1136 O PHE A 97 -19.263 17.762 -1.568 1.00 0.33 O ATOM 1137 CB PHE A 97 -17.380 18.614 -4.047 1.00 52.23 C ATOM 1138 CG PHE A 97 -18.327 18.391 -5.191 1.00 72.35 C ATOM 1139 CD1 PHE A 97 -18.941 19.462 -5.820 1.00 2.32 C ATOM 1140 CD2 PHE A 97 -18.604 17.109 -5.638 1.00 73.33 C ATOM 1141 CE1 PHE A 97 -19.812 19.260 -6.873 1.00 55.23 C ATOM 1142 CE2 PHE A 97 -19.475 16.900 -6.692 1.00 3.45 C ATOM 1143 CZ PHE A 97 -20.080 17.977 -7.309 1.00 15.31 C ATOM 0 H PHE A 97 -16.927 18.566 -1.253 1.00 32.44 H new ATOM 0 HA PHE A 97 -18.272 20.365 -3.172 1.00 62.41 H new ATOM 0 HB2 PHE A 97 -16.521 19.184 -4.402 1.00 52.23 H new ATOM 0 HB3 PHE A 97 -17.003 17.650 -3.704 1.00 52.23 H new ATOM 0 HD1 PHE A 97 -18.736 20.467 -5.483 1.00 2.32 H new ATOM 0 HD2 PHE A 97 -18.134 16.263 -5.158 1.00 73.33 H new ATOM 0 HE1 PHE A 97 -20.283 20.104 -7.355 1.00 55.23 H new ATOM 0 HE2 PHE A 97 -19.682 15.896 -7.032 1.00 3.45 H new ATOM 0 HZ PHE A 97 -20.762 17.816 -8.131 1.00 15.31 H new ATOM 1153 N GLN A 98 -20.410 19.019 -3.041 1.00 21.20 N ATOM 1154 CA GLN A 98 -21.698 18.417 -2.718 1.00 71.20 C ATOM 1155 C GLN A 98 -21.988 18.520 -1.224 1.00 52.23 C ATOM 1156 O GLN A 98 -22.717 17.702 -0.665 1.00 63.31 O ATOM 1157 CB GLN A 98 -21.723 16.951 -3.154 1.00 74.22 C ATOM 1158 CG GLN A 98 -22.078 16.758 -4.620 1.00 15.23 C ATOM 1159 CD GLN A 98 -23.559 16.942 -4.891 1.00 23.34 C ATOM 1160 OE1 GLN A 98 -24.403 16.525 -4.097 1.00 12.51 O ATOM 1161 NE2 GLN A 98 -23.882 17.568 -6.016 1.00 63.11 N ATOM 0 H GLN A 98 -20.450 19.742 -3.759 1.00 21.20 H new ATOM 0 HA GLN A 98 -22.471 18.963 -3.258 1.00 71.20 H new ATOM 0 HB2 GLN A 98 -20.746 16.507 -2.964 1.00 74.22 H new ATOM 0 HB3 GLN A 98 -22.443 16.410 -2.540 1.00 74.22 H new ATOM 0 HG2 GLN A 98 -21.511 17.467 -5.224 1.00 15.23 H new ATOM 0 HG3 GLN A 98 -21.776 15.759 -4.935 1.00 15.23 H new ATOM 0 HE21 GLN A 98 -23.149 17.897 -6.645 1.00 63.11 H new ATOM 0 HE22 GLN A 98 -24.863 17.720 -6.251 1.00 63.11 H new ATOM 1170 N GLY A 99 -21.412 19.533 -0.583 1.00 71.31 N ATOM 1171 CA GLY A 99 -21.621 19.724 0.840 1.00 5.12 C ATOM 1172 C GLY A 99 -20.320 19.912 1.596 1.00 14.15 C ATOM 1173 O GLY A 99 -20.107 20.945 2.230 1.00 31.21 O ATOM 0 H GLY A 99 -20.805 20.224 -1.024 1.00 71.31 H new ATOM 0 HA2 GLY A 99 -22.258 20.594 0.997 1.00 5.12 H new ATOM 0 HA3 GLY A 99 -22.152 18.863 1.245 1.00 5.12 H new ATOM 1177 N ASN A 100 -19.450 18.910 1.531 1.00 5.24 N ATOM 1178 CA ASN A 100 -18.164 18.969 2.218 1.00 50.13 C ATOM 1179 C ASN A 100 -17.365 17.690 1.986 1.00 44.51 C ATOM 1180 O ASN A 100 -16.267 17.707 1.428 1.00 54.54 O ATOM 1181 CB ASN A 100 -18.373 19.189 3.717 1.00 24.44 C ATOM 1182 CG ASN A 100 -17.829 20.524 4.187 1.00 25.25 C ATOM 1183 OD1 ASN A 100 -17.713 21.469 3.407 1.00 14.23 O ATOM 1184 ND2 ASN A 100 -17.490 20.607 5.469 1.00 35.30 N ATOM 0 H ASN A 100 -19.611 18.048 1.010 1.00 5.24 H new ATOM 0 HA ASN A 100 -17.600 19.808 1.810 1.00 50.13 H new ATOM 0 HB2 ASN A 100 -19.438 19.133 3.945 1.00 24.44 H new ATOM 0 HB3 ASN A 100 -17.886 18.386 4.271 1.00 24.44 H new ATOM 0 HD21 ASN A 100 -17.117 21.480 5.842 1.00 35.30 H new ATOM 0 HD22 ASN A 100 -17.603 19.798 6.080 1.00 35.30 H new ATOM 1191 N PRO A 101 -17.926 16.554 2.424 1.00 72.12 N ATOM 1192 CA PRO A 101 -17.284 15.245 2.274 1.00 21.33 C ATOM 1193 C PRO A 101 -17.244 14.781 0.822 1.00 33.23 C ATOM 1194 O PRO A 101 -18.270 14.407 0.251 1.00 4.01 O ATOM 1195 CB PRO A 101 -18.171 14.317 3.108 1.00 32.01 C ATOM 1196 CG PRO A 101 -19.505 14.981 3.123 1.00 62.32 C ATOM 1197 CD PRO A 101 -19.232 16.459 3.098 1.00 2.22 C ATOM 0 HA PRO A 101 -16.242 15.263 2.595 1.00 21.33 H new ATOM 0 HB2 PRO A 101 -18.229 13.322 2.666 1.00 32.01 H new ATOM 0 HB3 PRO A 101 -17.778 14.195 4.117 1.00 32.01 H new ATOM 0 HG2 PRO A 101 -20.101 14.680 2.261 1.00 62.32 H new ATOM 0 HG3 PRO A 101 -20.069 14.703 4.013 1.00 62.32 H new ATOM 0 HD2 PRO A 101 -20.005 17.001 2.554 1.00 2.22 H new ATOM 0 HD3 PRO A 101 -19.197 16.878 4.104 1.00 2.22 H new ATOM 1205 N LEU A 102 -16.056 14.807 0.230 1.00 25.21 N ATOM 1206 CA LEU A 102 -15.882 14.388 -1.157 1.00 32.04 C ATOM 1207 C LEU A 102 -14.718 13.411 -1.289 1.00 50.40 C ATOM 1208 O LEU A 102 -13.591 13.715 -0.898 1.00 12.54 O ATOM 1209 CB LEU A 102 -15.646 15.606 -2.052 1.00 22.51 C ATOM 1210 CG LEU A 102 -15.175 15.310 -3.476 1.00 65.12 C ATOM 1211 CD1 LEU A 102 -16.287 14.657 -4.282 1.00 21.22 C ATOM 1212 CD2 LEU A 102 -14.699 16.586 -4.156 1.00 73.53 C ATOM 0 H LEU A 102 -15.198 15.114 0.688 1.00 25.21 H new ATOM 0 HA LEU A 102 -16.794 13.882 -1.475 1.00 32.04 H new ATOM 0 HB2 LEU A 102 -16.573 16.176 -2.108 1.00 22.51 H new ATOM 0 HB3 LEU A 102 -14.907 16.247 -1.572 1.00 22.51 H new ATOM 0 HG LEU A 102 -14.337 14.615 -3.424 1.00 65.12 H new ATOM 0 HD11 LEU A 102 -15.933 14.454 -5.293 1.00 21.22 H new ATOM 0 HD12 LEU A 102 -16.581 13.722 -3.806 1.00 21.22 H new ATOM 0 HD13 LEU A 102 -17.146 15.327 -4.326 1.00 21.22 H new ATOM 0 HD21 LEU A 102 -14.367 16.357 -5.169 1.00 73.53 H new ATOM 0 HD22 LEU A 102 -15.518 17.304 -4.196 1.00 73.53 H new ATOM 0 HD23 LEU A 102 -13.870 17.012 -3.591 1.00 73.53 H new ATOM 1224 N VAL A 103 -14.998 12.237 -1.846 1.00 2.05 N ATOM 1225 CA VAL A 103 -13.973 11.217 -2.033 1.00 75.51 C ATOM 1226 C VAL A 103 -13.812 10.865 -3.508 1.00 22.23 C ATOM 1227 O VAL A 103 -14.797 10.694 -4.227 1.00 5.20 O ATOM 1228 CB VAL A 103 -14.306 9.936 -1.245 1.00 30.14 C ATOM 1229 CG1 VAL A 103 -15.534 9.253 -1.828 1.00 3.10 C ATOM 1230 CG2 VAL A 103 -13.114 8.991 -1.236 1.00 42.13 C ATOM 0 H VAL A 103 -15.925 11.969 -2.175 1.00 2.05 H new ATOM 0 HA VAL A 103 -13.039 11.634 -1.657 1.00 75.51 H new ATOM 0 HB VAL A 103 -14.529 10.213 -0.215 1.00 30.14 H new ATOM 0 HG11 VAL A 103 -15.753 8.350 -1.258 1.00 3.10 H new ATOM 0 HG12 VAL A 103 -16.386 9.931 -1.776 1.00 3.10 H new ATOM 0 HG13 VAL A 103 -15.344 8.988 -2.868 1.00 3.10 H new ATOM 0 HG21 VAL A 103 -13.367 8.091 -0.675 1.00 42.13 H new ATOM 0 HG22 VAL A 103 -12.857 8.720 -2.260 1.00 42.13 H new ATOM 0 HG23 VAL A 103 -12.263 9.484 -0.767 1.00 42.13 H new ATOM 1240 N ILE A 104 -12.564 10.757 -3.951 1.00 41.41 N ATOM 1241 CA ILE A 104 -12.273 10.424 -5.340 1.00 53.10 C ATOM 1242 C ILE A 104 -11.153 9.394 -5.435 1.00 42.24 C ATOM 1243 O ILE A 104 -10.060 9.597 -4.905 1.00 12.22 O ATOM 1244 CB ILE A 104 -11.877 11.674 -6.148 1.00 25.03 C ATOM 1245 CG1 ILE A 104 -11.215 12.709 -5.235 1.00 72.12 C ATOM 1246 CG2 ILE A 104 -13.096 12.269 -6.836 1.00 61.10 C ATOM 1247 CD1 ILE A 104 -12.201 13.633 -4.556 1.00 32.05 C ATOM 0 H ILE A 104 -11.738 10.895 -3.368 1.00 41.41 H new ATOM 0 HA ILE A 104 -13.186 10.004 -5.762 1.00 53.10 H new ATOM 0 HB ILE A 104 -11.159 11.381 -6.914 1.00 25.03 H new ATOM 0 HG12 ILE A 104 -10.632 12.190 -4.474 1.00 72.12 H new ATOM 0 HG13 ILE A 104 -10.516 13.305 -5.822 1.00 72.12 H new ATOM 0 HG21 ILE A 104 -12.799 13.152 -7.403 1.00 61.10 H new ATOM 0 HG22 ILE A 104 -13.528 11.532 -7.513 1.00 61.10 H new ATOM 0 HG23 ILE A 104 -13.835 12.551 -6.086 1.00 61.10 H new ATOM 0 HD11 ILE A 104 -11.662 14.340 -3.925 1.00 32.05 H new ATOM 0 HD12 ILE A 104 -12.767 14.179 -5.311 1.00 32.05 H new ATOM 0 HD13 ILE A 104 -12.885 13.047 -3.942 1.00 32.05 H new ATOM 1259 N THR A 105 -11.430 8.287 -6.117 1.00 53.25 N ATOM 1260 CA THR A 105 -10.446 7.225 -6.284 1.00 13.03 C ATOM 1261 C THR A 105 -10.582 6.559 -7.648 1.00 62.31 C ATOM 1262 O THR A 105 -11.547 6.799 -8.374 1.00 63.42 O ATOM 1263 CB THR A 105 -10.585 6.154 -5.186 1.00 32.42 C ATOM 1264 OG1 THR A 105 -11.900 5.588 -5.217 1.00 15.35 O ATOM 1265 CG2 THR A 105 -10.315 6.749 -3.812 1.00 34.41 C ATOM 0 H THR A 105 -12.329 8.103 -6.563 1.00 53.25 H new ATOM 0 HA THR A 105 -9.463 7.689 -6.206 1.00 13.03 H new ATOM 0 HB THR A 105 -9.849 5.373 -5.377 1.00 32.42 H new ATOM 0 HG1 THR A 105 -11.980 4.907 -4.517 1.00 15.35 H new ATOM 0 HG21 THR A 105 -10.419 5.974 -3.053 1.00 34.41 H new ATOM 0 HG22 THR A 105 -9.303 7.152 -3.783 1.00 34.41 H new ATOM 0 HG23 THR A 105 -11.030 7.548 -3.615 1.00 34.41 H new ATOM 1273 N PHE A 106 -9.609 5.720 -7.991 1.00 55.30 N ATOM 1274 CA PHE A 106 -9.620 5.019 -9.270 1.00 34.15 C ATOM 1275 C PHE A 106 -10.540 3.802 -9.215 1.00 1.44 C ATOM 1276 O PHE A 106 -11.286 3.618 -8.253 1.00 75.04 O ATOM 1277 CB PHE A 106 -8.203 4.584 -9.649 1.00 52.30 C ATOM 1278 CG PHE A 106 -7.207 5.708 -9.631 1.00 63.01 C ATOM 1279 CD1 PHE A 106 -7.059 6.538 -10.731 1.00 1.15 C ATOM 1280 CD2 PHE A 106 -6.417 5.934 -8.515 1.00 33.30 C ATOM 1281 CE1 PHE A 106 -6.143 7.573 -10.717 1.00 50.32 C ATOM 1282 CE2 PHE A 106 -5.500 6.967 -8.496 1.00 12.43 C ATOM 1283 CZ PHE A 106 -5.362 7.787 -9.599 1.00 1.44 C ATOM 0 H PHE A 106 -8.804 5.509 -7.401 1.00 55.30 H new ATOM 0 HA PHE A 106 -9.998 5.704 -10.029 1.00 34.15 H new ATOM 0 HB2 PHE A 106 -7.874 3.806 -8.960 1.00 52.30 H new ATOM 0 HB3 PHE A 106 -8.221 4.141 -10.645 1.00 52.30 H new ATOM 0 HD1 PHE A 106 -7.666 6.374 -11.609 1.00 1.15 H new ATOM 0 HD2 PHE A 106 -6.519 5.295 -7.650 1.00 33.30 H new ATOM 0 HE1 PHE A 106 -6.038 8.214 -11.580 1.00 50.32 H new ATOM 0 HE2 PHE A 106 -4.891 7.133 -7.619 1.00 12.43 H new ATOM 0 HZ PHE A 106 -4.644 8.594 -9.587 1.00 1.44 H new ATOM 1293 N SER A 107 -10.480 2.976 -10.254 1.00 31.44 N ATOM 1294 CA SER A 107 -11.310 1.779 -10.327 1.00 31.21 C ATOM 1295 C SER A 107 -10.636 0.701 -11.170 1.00 25.33 C ATOM 1296 O SER A 107 -9.526 0.891 -11.667 1.00 54.12 O ATOM 1297 CB SER A 107 -12.681 2.118 -10.915 1.00 10.41 C ATOM 1298 OG SER A 107 -13.712 1.886 -9.972 1.00 35.54 O ATOM 0 H SER A 107 -9.866 3.113 -11.057 1.00 31.44 H new ATOM 0 HA SER A 107 -11.441 1.396 -9.315 1.00 31.21 H new ATOM 0 HB2 SER A 107 -12.698 3.162 -11.227 1.00 10.41 H new ATOM 0 HB3 SER A 107 -12.857 1.516 -11.806 1.00 10.41 H new ATOM 0 HG SER A 107 -14.578 2.112 -10.372 1.00 35.54 H new ATOM 1304 N GLU A 108 -11.315 -0.432 -11.325 1.00 5.34 N ATOM 1305 CA GLU A 108 -10.781 -1.541 -12.106 1.00 43.23 C ATOM 1306 C GLU A 108 -11.376 -1.552 -13.511 1.00 63.25 C ATOM 1307 O GLU A 108 -12.572 -1.323 -13.694 1.00 42.42 O ATOM 1308 CB GLU A 108 -11.069 -2.871 -11.408 1.00 22.42 C ATOM 1309 CG GLU A 108 -10.437 -2.985 -10.031 1.00 32.05 C ATOM 1310 CD GLU A 108 -8.928 -3.119 -10.090 1.00 40.11 C ATOM 1311 OE1 GLU A 108 -8.443 -4.168 -10.563 1.00 0.04 O ATOM 1312 OE2 GLU A 108 -8.232 -2.173 -9.664 1.00 21.40 O ATOM 0 H GLU A 108 -12.235 -0.605 -10.920 1.00 5.34 H new ATOM 0 HA GLU A 108 -9.702 -1.408 -12.187 1.00 43.23 H new ATOM 0 HB2 GLU A 108 -12.148 -2.997 -11.315 1.00 22.42 H new ATOM 0 HB3 GLU A 108 -10.706 -3.686 -12.034 1.00 22.42 H new ATOM 0 HG2 GLU A 108 -10.697 -2.105 -9.442 1.00 32.05 H new ATOM 0 HG3 GLU A 108 -10.855 -3.849 -9.514 1.00 32.05 H new ATOM 1319 N THR A 109 -10.532 -1.821 -14.503 1.00 42.21 N ATOM 1320 CA THR A 109 -10.972 -1.861 -15.892 1.00 12.42 C ATOM 1321 C THR A 109 -10.372 -3.055 -16.625 1.00 4.40 C ATOM 1322 O THR A 109 -9.490 -2.914 -17.472 1.00 44.13 O ATOM 1323 CB THR A 109 -10.591 -0.569 -16.639 1.00 41.13 C ATOM 1324 OG1 THR A 109 -9.307 -0.110 -16.201 1.00 71.25 O ATOM 1325 CG2 THR A 109 -11.630 0.518 -16.406 1.00 62.34 C ATOM 0 H THR A 109 -9.539 -2.014 -14.370 1.00 42.21 H new ATOM 0 HA THR A 109 -12.058 -1.956 -15.877 1.00 12.42 H new ATOM 0 HB THR A 109 -10.553 -0.791 -17.706 1.00 41.13 H new ATOM 0 HG1 THR A 109 -9.071 0.711 -16.682 1.00 71.25 H new ATOM 0 HG21 THR A 109 -11.339 1.421 -16.943 1.00 62.34 H new ATOM 0 HG22 THR A 109 -12.600 0.177 -16.767 1.00 62.34 H new ATOM 0 HG23 THR A 109 -11.696 0.736 -15.340 1.00 62.34 H new ATOM 1333 N PRO A 110 -10.859 -4.260 -16.294 1.00 53.51 N ATOM 1334 CA PRO A 110 -10.385 -5.502 -16.911 1.00 54.11 C ATOM 1335 C PRO A 110 -10.809 -5.623 -18.371 1.00 11.40 C ATOM 1336 O PRO A 110 -11.540 -4.777 -18.886 1.00 33.13 O ATOM 1337 CB PRO A 110 -11.052 -6.593 -16.069 1.00 44.20 C ATOM 1338 CG PRO A 110 -12.270 -5.946 -15.507 1.00 74.11 C ATOM 1339 CD PRO A 110 -11.911 -4.502 -15.293 1.00 13.23 C ATOM 0 HA PRO A 110 -9.297 -5.560 -16.925 1.00 54.11 H new ATOM 0 HB2 PRO A 110 -11.309 -7.460 -16.677 1.00 44.20 H new ATOM 0 HB3 PRO A 110 -10.389 -6.943 -15.278 1.00 44.20 H new ATOM 0 HG2 PRO A 110 -13.113 -6.041 -16.191 1.00 74.11 H new ATOM 0 HG3 PRO A 110 -12.565 -6.418 -14.570 1.00 74.11 H new ATOM 0 HD2 PRO A 110 -12.769 -3.848 -15.446 1.00 13.23 H new ATOM 0 HD3 PRO A 110 -11.550 -4.323 -14.280 1.00 13.23 H new ATOM 1347 N GLN A 111 -10.345 -6.679 -19.032 1.00 14.54 N ATOM 1348 CA GLN A 111 -10.677 -6.908 -20.433 1.00 31.42 C ATOM 1349 C GLN A 111 -10.530 -8.383 -20.792 1.00 61.31 C ATOM 1350 O GLN A 111 -10.221 -8.726 -21.933 1.00 64.41 O ATOM 1351 CB GLN A 111 -9.782 -6.059 -21.337 1.00 22.33 C ATOM 1352 CG GLN A 111 -10.547 -5.292 -22.403 1.00 64.22 C ATOM 1353 CD GLN A 111 -10.045 -3.872 -22.574 1.00 25.03 C ATOM 1354 OE1 GLN A 111 -8.949 -3.531 -22.128 1.00 25.01 O ATOM 1355 NE2 GLN A 111 -10.846 -3.034 -23.222 1.00 25.40 N ATOM 0 H GLN A 111 -9.739 -7.388 -18.620 1.00 14.54 H new ATOM 0 HA GLN A 111 -11.716 -6.617 -20.587 1.00 31.42 H new ATOM 0 HB2 GLN A 111 -9.225 -5.352 -20.722 1.00 22.33 H new ATOM 0 HB3 GLN A 111 -9.051 -6.706 -21.821 1.00 22.33 H new ATOM 0 HG2 GLN A 111 -10.465 -5.819 -23.354 1.00 64.22 H new ATOM 0 HG3 GLN A 111 -11.605 -5.270 -22.141 1.00 64.22 H new ATOM 0 HE21 GLN A 111 -11.746 -3.359 -23.575 1.00 25.40 H new ATOM 0 HE22 GLN A 111 -10.561 -2.065 -23.367 1.00 25.40 H new ATOM 1364 N SER A 112 -10.753 -9.252 -19.811 1.00 11.43 N ATOM 1365 CA SER A 112 -10.641 -10.690 -20.023 1.00 12.05 C ATOM 1366 C SER A 112 -11.942 -11.260 -20.581 1.00 2.32 C ATOM 1367 O SER A 112 -11.939 -12.281 -21.268 1.00 13.32 O ATOM 1368 CB SER A 112 -10.284 -11.394 -18.712 1.00 10.42 C ATOM 1369 OG SER A 112 -9.114 -10.838 -18.137 1.00 41.11 O ATOM 0 H SER A 112 -11.012 -8.985 -18.861 1.00 11.43 H new ATOM 0 HA SER A 112 -9.847 -10.864 -20.749 1.00 12.05 H new ATOM 0 HB2 SER A 112 -11.114 -11.307 -18.011 1.00 10.42 H new ATOM 0 HB3 SER A 112 -10.132 -12.458 -18.896 1.00 10.42 H new ATOM 0 HG SER A 112 -8.908 -11.304 -17.300 1.00 41.11 H new ATOM 1375 N GLN A 113 -13.050 -10.591 -20.280 1.00 35.54 N ATOM 1376 CA GLN A 113 -14.359 -11.031 -20.750 1.00 64.34 C ATOM 1377 C GLN A 113 -14.395 -11.097 -22.274 1.00 21.33 C ATOM 1378 O GLN A 113 -15.148 -11.879 -22.854 1.00 34.23 O ATOM 1379 CB GLN A 113 -15.450 -10.088 -20.243 1.00 14.12 C ATOM 1380 CG GLN A 113 -15.263 -8.646 -20.687 1.00 33.15 C ATOM 1381 CD GLN A 113 -15.383 -7.662 -19.539 1.00 62.24 C ATOM 1382 OE1 GLN A 113 -16.485 -7.280 -19.147 1.00 14.42 O ATOM 1383 NE2 GLN A 113 -14.245 -7.247 -18.995 1.00 13.35 N ATOM 0 H GLN A 113 -13.068 -9.743 -19.713 1.00 35.54 H new ATOM 0 HA GLN A 113 -14.542 -12.031 -20.356 1.00 64.34 H new ATOM 0 HB2 GLN A 113 -16.418 -10.445 -20.594 1.00 14.12 H new ATOM 0 HB3 GLN A 113 -15.472 -10.124 -19.154 1.00 14.12 H new ATOM 0 HG2 GLN A 113 -14.284 -8.537 -21.153 1.00 33.15 H new ATOM 0 HG3 GLN A 113 -16.006 -8.404 -21.447 1.00 33.15 H new ATOM 0 HE21 GLN A 113 -13.354 -7.591 -19.353 1.00 13.35 H new ATOM 0 HE22 GLN A 113 -14.262 -6.585 -18.219 1.00 13.35 H new ATOM 1392 N VAL A 114 -13.576 -10.271 -22.917 1.00 0.03 N ATOM 1393 CA VAL A 114 -13.514 -10.236 -24.373 1.00 2.10 C ATOM 1394 C VAL A 114 -12.269 -10.951 -24.887 1.00 54.33 C ATOM 1395 O VAL A 114 -11.786 -10.666 -25.983 1.00 30.53 O ATOM 1396 CB VAL A 114 -13.516 -8.789 -24.900 1.00 41.31 C ATOM 1397 CG1 VAL A 114 -14.732 -8.034 -24.384 1.00 63.13 C ATOM 1398 CG2 VAL A 114 -12.230 -8.077 -24.507 1.00 72.10 C ATOM 0 H VAL A 114 -12.946 -9.617 -22.452 1.00 0.03 H new ATOM 0 HA VAL A 114 -14.402 -10.750 -24.740 1.00 2.10 H new ATOM 0 HB VAL A 114 -13.571 -8.817 -25.988 1.00 41.31 H new ATOM 0 HG11 VAL A 114 -14.716 -7.014 -24.767 1.00 63.13 H new ATOM 0 HG12 VAL A 114 -15.640 -8.534 -24.721 1.00 63.13 H new ATOM 0 HG13 VAL A 114 -14.712 -8.013 -23.294 1.00 63.13 H new ATOM 0 HG21 VAL A 114 -12.249 -7.056 -24.888 1.00 72.10 H new ATOM 0 HG22 VAL A 114 -12.142 -8.058 -23.421 1.00 72.10 H new ATOM 0 HG23 VAL A 114 -11.377 -8.607 -24.931 1.00 72.10 H new ATOM 1408 N ALA A 115 -11.755 -11.881 -24.089 1.00 15.30 N ATOM 1409 CA ALA A 115 -10.568 -12.639 -24.464 1.00 54.34 C ATOM 1410 C ALA A 115 -10.904 -13.706 -25.501 1.00 4.03 C ATOM 1411 O ALA A 115 -10.275 -13.778 -26.556 1.00 3.11 O ATOM 1412 CB ALA A 115 -9.937 -13.274 -23.235 1.00 32.25 C ATOM 0 H ALA A 115 -12.142 -12.128 -23.178 1.00 15.30 H new ATOM 0 HA ALA A 115 -9.852 -11.949 -24.910 1.00 54.34 H new ATOM 0 HB1 ALA A 115 -9.052 -13.837 -23.530 1.00 32.25 H new ATOM 0 HB2 ALA A 115 -9.652 -12.495 -22.528 1.00 32.25 H new ATOM 0 HB3 ALA A 115 -10.654 -13.946 -22.764 1.00 32.25 H new ATOM 1418 N GLU A 116 -11.897 -14.533 -25.192 1.00 33.14 N ATOM 1419 CA GLU A 116 -12.314 -15.598 -26.097 1.00 1.31 C ATOM 1420 C GLU A 116 -12.591 -15.047 -27.493 1.00 32.21 C ATOM 1421 O GLU A 116 -12.395 -15.737 -28.494 1.00 12.32 O ATOM 1422 CB GLU A 116 -13.562 -16.298 -25.556 1.00 22.42 C ATOM 1423 CG GLU A 116 -14.784 -15.398 -25.488 1.00 31.30 C ATOM 1424 CD GLU A 116 -15.846 -15.926 -24.543 1.00 22.42 C ATOM 1425 OE1 GLU A 116 -15.500 -16.259 -23.390 1.00 12.55 O ATOM 1426 OE2 GLU A 116 -17.021 -16.008 -24.956 1.00 13.21 O ATOM 0 H GLU A 116 -12.428 -14.486 -24.322 1.00 33.14 H new ATOM 0 HA GLU A 116 -11.502 -16.322 -26.165 1.00 1.31 H new ATOM 0 HB2 GLU A 116 -13.789 -17.157 -26.187 1.00 22.42 H new ATOM 0 HB3 GLU A 116 -13.349 -16.683 -24.559 1.00 22.42 H new ATOM 0 HG2 GLU A 116 -14.480 -14.402 -25.166 1.00 31.30 H new ATOM 0 HG3 GLU A 116 -15.210 -15.294 -26.486 1.00 31.30 H new ATOM 1433 N ASP A 117 -13.049 -13.801 -27.551 1.00 23.51 N ATOM 1434 CA ASP A 117 -13.353 -13.157 -28.823 1.00 60.22 C ATOM 1435 C ASP A 117 -12.664 -11.800 -28.923 1.00 51.34 C ATOM 1436 O ASP A 117 -11.552 -11.694 -29.443 1.00 54.31 O ATOM 1437 CB ASP A 117 -14.865 -12.989 -28.986 1.00 25.14 C ATOM 1438 CG ASP A 117 -15.415 -13.791 -30.148 1.00 64.54 C ATOM 1439 OD1 ASP A 117 -15.596 -15.017 -29.991 1.00 24.30 O ATOM 1440 OD2 ASP A 117 -15.665 -13.194 -31.215 1.00 51.55 O ATOM 0 H ASP A 117 -13.218 -13.217 -26.732 1.00 23.51 H new ATOM 0 HA ASP A 117 -12.978 -13.795 -29.624 1.00 60.22 H new ATOM 0 HB2 ASP A 117 -15.363 -13.298 -28.067 1.00 25.14 H new ATOM 0 HB3 ASP A 117 -15.096 -11.934 -29.135 1.00 25.14 H new TER 1445 ASP A 117