USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 961 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 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 71 MET CE :methyl -122:sc= 0 (180deg=-0.17) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.416 USER MOD Set 2.2: A 11 THR OG1 : rot -84:sc= 0.731 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0569 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 21 ASN : amide:sc= -0.0508 K(o=-0.051,f=-0.67) USER MOD Single : A 22 SER OG : rot 81:sc= 0.074 USER MOD Single : A 25 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.015) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -173:sc= -0.818 (180deg=-0.926) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 161:sc= 1.2 USER MOD Single : A 37 GLN : amide:sc= -0.0306 K(o=-0.031,f=-0.93) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 46 GLN : amide:sc= -0.336 K(o=-0.34,f=-3.1!) USER MOD Single : A 47 SER OG : rot 74:sc= 0.011 USER MOD Single : A 50 GLN : amide:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0678 K(o=-0.068,f=-1.1) USER MOD Single : A 54 SER OG : rot 74:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc= 0.367 X(o=0.37,f=-0.072) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.0147 K(o=0.015,f=-0.61) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.312 K(o=0.31,f=-1.3) USER MOD Single : A 75 SER OG : rot -84:sc= 0.405 USER MOD Single : A 76 SER OG : rot 150:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0722 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0822 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 143:sc= 0.671 (180deg=0.00682) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 80:sc= 1.26 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -80:sc= 0.204 USER MOD Single : A 103 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.00052) USER MOD Single : A 107 GLN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 108 THR OG1 : rot -21:sc= -0.0353 USER MOD Single : A 109 THR OG1 : rot -27:sc= 0.055 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 114 GLN : amide:sc= -0.0925 X(o=-0.092,f=-0.068) USER MOD Single : A 118 ASN : amide:sc= -0.0026 X(o=-0.0026,f=-0.049) USER MOD Single : A 121 THR OG1 : rot 13:sc= 0.241 USER MOD Single : A 122 GLN : amide:sc= 0.501 K(o=0.5,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -148:sc= -0.341 (180deg=-0.818) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl -168:sc= -0.0295 (180deg=-0.244) USER MOD Single : A 133 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.51) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.361 9.527 5.892 1.00 22.15 N ATOM 2 CA GLY A 1 27.604 10.754 6.167 1.00 21.30 C ATOM 3 C GLY A 1 26.251 10.406 6.754 1.00 23.43 C ATOM 4 O GLY A 1 26.064 9.314 7.293 1.00 32.33 O ATOM 0 H1 GLY A 1 29.308 9.601 6.316 1.00 22.15 H new ATOM 0 H2 GLY A 1 27.861 8.712 6.301 1.00 22.15 H new ATOM 0 H3 GLY A 1 28.451 9.398 4.864 1.00 22.15 H new ATOM 0 HA2 GLY A 1 28.159 11.386 6.860 1.00 21.30 H new ATOM 0 HA3 GLY A 1 27.475 11.326 5.248 1.00 21.30 H new ATOM 8 N SER A 2 25.304 11.337 6.706 1.00 72.22 N ATOM 9 CA SER A 2 23.958 11.123 7.211 1.00 34.14 C ATOM 10 C SER A 2 23.158 10.279 6.209 1.00 21.55 C ATOM 11 O SER A 2 23.568 10.082 5.055 1.00 63.53 O ATOM 12 CB SER A 2 23.298 12.483 7.477 1.00 43.11 C ATOM 13 OG SER A 2 23.615 13.424 6.467 1.00 30.11 O ATOM 0 H SER A 2 25.453 12.266 6.313 1.00 72.22 H new ATOM 0 HA SER A 2 23.987 10.573 8.152 1.00 34.14 H new ATOM 0 HB2 SER A 2 22.217 12.358 7.532 1.00 43.11 H new ATOM 0 HB3 SER A 2 23.625 12.863 8.445 1.00 43.11 H new ATOM 0 HG SER A 2 23.177 14.278 6.666 1.00 30.11 H new ATOM 19 N GLY A 3 22.001 9.790 6.650 1.00 42.41 N ATOM 20 CA GLY A 3 21.071 8.974 5.895 1.00 42.55 C ATOM 21 C GLY A 3 19.744 8.948 6.644 1.00 52.43 C ATOM 22 O GLY A 3 19.537 9.745 7.565 1.00 2.44 O ATOM 0 H GLY A 3 21.675 9.967 7.600 1.00 42.41 H new ATOM 0 HA2 GLY A 3 20.934 9.381 4.893 1.00 42.55 H new ATOM 0 HA3 GLY A 3 21.461 7.963 5.777 1.00 42.55 H new ATOM 26 N ASN A 4 18.807 8.112 6.198 1.00 50.20 N ATOM 27 CA ASN A 4 17.507 7.976 6.842 1.00 35.43 C ATOM 28 C ASN A 4 17.728 7.085 8.058 1.00 53.02 C ATOM 29 O ASN A 4 18.167 5.943 7.897 1.00 50.12 O ATOM 30 CB ASN A 4 16.465 7.318 5.918 1.00 70.51 C ATOM 31 CG ASN A 4 16.022 8.181 4.745 1.00 71.24 C ATOM 32 OD1 ASN A 4 16.569 9.255 4.492 1.00 22.01 O ATOM 33 ND2 ASN A 4 15.019 7.740 4.004 1.00 0.15 N ATOM 0 H ASN A 4 18.930 7.513 5.382 1.00 50.20 H new ATOM 0 HA ASN A 4 17.120 8.961 7.103 1.00 35.43 H new ATOM 0 HB2 ASN A 4 16.879 6.387 5.531 1.00 70.51 H new ATOM 0 HB3 ASN A 4 15.588 7.055 6.510 1.00 70.51 H new ATOM 0 HD21 ASN A 4 14.689 8.291 3.212 1.00 0.15 H new ATOM 0 HD22 ASN A 4 14.575 6.849 4.225 1.00 0.15 H new ATOM 40 N SER A 5 17.473 7.586 9.265 1.00 73.41 N ATOM 41 CA SER A 5 17.639 6.795 10.481 1.00 2.53 C ATOM 42 C SER A 5 16.723 5.565 10.452 1.00 14.33 C ATOM 43 O SER A 5 17.100 4.508 10.970 1.00 5.11 O ATOM 44 CB SER A 5 17.342 7.686 11.685 1.00 2.13 C ATOM 45 OG SER A 5 18.364 8.660 11.792 1.00 32.44 O ATOM 0 H SER A 5 17.149 8.540 9.426 1.00 73.41 H new ATOM 0 HA SER A 5 18.663 6.429 10.553 1.00 2.53 H new ATOM 0 HB2 SER A 5 16.371 8.168 11.568 1.00 2.13 H new ATOM 0 HB3 SER A 5 17.293 7.088 12.595 1.00 2.13 H new ATOM 0 HG SER A 5 18.184 9.240 12.561 1.00 32.44 H new ATOM 51 N HIS A 6 15.548 5.687 9.829 1.00 40.52 N ATOM 52 CA HIS A 6 14.561 4.638 9.681 1.00 1.41 C ATOM 53 C HIS A 6 14.421 4.308 8.198 1.00 32.40 C ATOM 54 O HIS A 6 14.090 5.174 7.384 1.00 3.24 O ATOM 55 CB HIS A 6 13.207 5.086 10.251 1.00 21.44 C ATOM 56 CG HIS A 6 13.087 5.096 11.758 1.00 43.22 C ATOM 57 ND1 HIS A 6 11.934 5.391 12.449 1.00 10.11 N ATOM 58 CD2 HIS A 6 14.025 4.705 12.679 1.00 65.25 C ATOM 59 CE1 HIS A 6 12.167 5.192 13.754 1.00 72.14 C ATOM 60 NE2 HIS A 6 13.422 4.744 13.940 1.00 55.53 N ATOM 0 H HIS A 6 15.255 6.564 9.398 1.00 40.52 H new ATOM 0 HA HIS A 6 14.883 3.754 10.232 1.00 1.41 H new ATOM 0 HB2 HIS A 6 12.996 6.091 9.884 1.00 21.44 H new ATOM 0 HB3 HIS A 6 12.433 4.431 9.850 1.00 21.44 H new ATOM 0 HD2 HIS A 6 15.045 4.419 12.468 1.00 65.25 H new ATOM 0 HE1 HIS A 6 11.450 5.366 14.543 1.00 72.14 H new ATOM 0 HE2 HIS A 6 13.850 4.483 14.828 1.00 55.53 H new ATOM 68 N THR A 7 14.737 3.068 7.837 1.00 3.20 N ATOM 69 CA THR A 7 14.622 2.558 6.479 1.00 43.53 C ATOM 70 C THR A 7 13.116 2.504 6.161 1.00 62.52 C ATOM 71 O THR A 7 12.293 2.579 7.079 1.00 71.31 O ATOM 72 CB THR A 7 15.276 1.166 6.463 1.00 75.33 C ATOM 73 OG1 THR A 7 16.586 1.243 6.993 1.00 44.35 O ATOM 74 CG2 THR A 7 15.393 0.529 5.078 1.00 44.42 C ATOM 0 H THR A 7 15.088 2.375 8.498 1.00 3.20 H new ATOM 0 HA THR A 7 15.118 3.175 5.729 1.00 43.53 H new ATOM 0 HB THR A 7 14.613 0.542 7.062 1.00 75.33 H new ATOM 0 HG1 THR A 7 16.996 0.353 6.982 1.00 44.35 H new ATOM 0 HG21 THR A 7 15.866 -0.449 5.166 1.00 44.42 H new ATOM 0 HG22 THR A 7 14.399 0.414 4.645 1.00 44.42 H new ATOM 0 HG23 THR A 7 15.998 1.167 4.434 1.00 44.42 H new ATOM 82 N THR A 8 12.710 2.350 4.897 1.00 12.32 N ATOM 83 CA THR A 8 11.287 2.298 4.568 1.00 33.44 C ATOM 84 C THR A 8 10.971 1.162 3.604 1.00 45.44 C ATOM 85 O THR A 8 11.870 0.704 2.889 1.00 10.52 O ATOM 86 CB THR A 8 10.838 3.652 3.996 1.00 74.13 C ATOM 87 OG1 THR A 8 11.551 4.024 2.836 1.00 32.24 O ATOM 88 CG2 THR A 8 10.936 4.765 5.025 1.00 13.41 C ATOM 0 H THR A 8 13.337 2.261 4.098 1.00 12.32 H new ATOM 0 HA THR A 8 10.731 2.098 5.484 1.00 33.44 H new ATOM 0 HB THR A 8 9.793 3.512 3.720 1.00 74.13 H new ATOM 0 HG1 THR A 8 11.224 4.890 2.515 1.00 32.24 H new ATOM 0 HG21 THR A 8 10.609 5.704 4.578 1.00 13.41 H new ATOM 0 HG22 THR A 8 10.300 4.529 5.878 1.00 13.41 H new ATOM 0 HG23 THR A 8 11.969 4.862 5.358 1.00 13.41 H new ATOM 96 N PRO A 9 9.696 0.743 3.527 1.00 72.43 N ATOM 97 CA PRO A 9 9.266 -0.313 2.623 1.00 75.52 C ATOM 98 C PRO A 9 9.256 0.185 1.165 1.00 31.21 C ATOM 99 O PRO A 9 8.862 -0.555 0.268 1.00 50.52 O ATOM 100 CB PRO A 9 7.889 -0.744 3.134 1.00 3.03 C ATOM 101 CG PRO A 9 7.331 0.523 3.764 1.00 20.03 C ATOM 102 CD PRO A 9 8.564 1.212 4.323 1.00 64.14 C ATOM 0 HA PRO A 9 9.945 -1.166 2.613 1.00 75.52 H new ATOM 0 HB2 PRO A 9 7.254 -1.102 2.324 1.00 3.03 H new ATOM 0 HB3 PRO A 9 7.966 -1.553 3.860 1.00 3.03 H new ATOM 0 HG2 PRO A 9 6.821 1.146 3.029 1.00 20.03 H new ATOM 0 HG3 PRO A 9 6.607 0.297 4.547 1.00 20.03 H new ATOM 0 HD2 PRO A 9 8.466 2.296 4.258 1.00 64.14 H new ATOM 0 HD3 PRO A 9 8.702 0.967 5.376 1.00 64.14 H new ATOM 110 N TRP A 10 9.703 1.422 0.909 1.00 62.51 N ATOM 111 CA TRP A 10 9.770 2.013 -0.419 1.00 65.32 C ATOM 112 C TRP A 10 11.222 2.248 -0.859 1.00 62.22 C ATOM 113 O TRP A 10 11.478 2.364 -2.059 1.00 42.03 O ATOM 114 CB TRP A 10 8.971 3.314 -0.416 1.00 73.53 C ATOM 115 CG TRP A 10 7.633 3.225 0.246 1.00 53.53 C ATOM 116 CD1 TRP A 10 7.371 3.592 1.520 1.00 73.14 C ATOM 117 CD2 TRP A 10 6.374 2.728 -0.297 1.00 11.32 C ATOM 118 NE1 TRP A 10 6.034 3.402 1.786 1.00 52.30 N ATOM 119 CE2 TRP A 10 5.372 2.846 0.713 1.00 44.33 C ATOM 120 CE3 TRP A 10 5.969 2.216 -1.548 1.00 20.11 C ATOM 121 CZ2 TRP A 10 4.040 2.470 0.492 1.00 32.31 C ATOM 122 CZ3 TRP A 10 4.636 1.825 -1.775 1.00 72.24 C ATOM 123 CH2 TRP A 10 3.673 1.945 -0.758 1.00 21.22 C ATOM 0 H TRP A 10 10.034 2.048 1.643 1.00 62.51 H new ATOM 0 HA TRP A 10 9.336 1.323 -1.143 1.00 65.32 H new ATOM 0 HB2 TRP A 10 9.558 4.084 0.085 1.00 73.53 H new ATOM 0 HB3 TRP A 10 8.830 3.640 -1.446 1.00 73.53 H new ATOM 0 HD1 TRP A 10 8.098 3.975 2.221 1.00 73.14 H new ATOM 0 HE1 TRP A 10 5.587 3.644 2.671 1.00 52.30 H new ATOM 0 HE3 TRP A 10 6.693 2.123 -2.344 1.00 20.11 H new ATOM 0 HZ2 TRP A 10 3.304 2.583 1.274 1.00 32.31 H new ATOM 0 HZ3 TRP A 10 4.351 1.429 -2.739 1.00 72.24 H new ATOM 0 HH2 TRP A 10 2.654 1.635 -0.937 1.00 21.22 H new ATOM 134 N THR A 11 12.190 2.307 0.068 1.00 41.11 N ATOM 135 CA THR A 11 13.591 2.531 -0.289 1.00 0.35 C ATOM 136 C THR A 11 14.344 1.222 -0.533 1.00 22.32 C ATOM 137 O THR A 11 15.349 1.236 -1.246 1.00 33.35 O ATOM 138 CB THR A 11 14.287 3.419 0.757 1.00 13.14 C ATOM 139 OG1 THR A 11 14.144 2.943 2.090 1.00 64.52 O ATOM 140 CG2 THR A 11 13.739 4.844 0.660 1.00 4.11 C ATOM 0 H THR A 11 12.024 2.202 1.069 1.00 41.11 H new ATOM 0 HA THR A 11 13.607 3.067 -1.238 1.00 0.35 H new ATOM 0 HB THR A 11 15.353 3.396 0.530 1.00 13.14 H new ATOM 0 HG1 THR A 11 13.289 3.251 2.457 1.00 64.52 H new ATOM 0 HG21 THR A 11 14.231 5.474 1.401 1.00 4.11 H new ATOM 0 HG22 THR A 11 13.929 5.240 -0.338 1.00 4.11 H new ATOM 0 HG23 THR A 11 12.665 4.834 0.848 1.00 4.11 H new ATOM 148 N ASN A 12 13.867 0.094 0.005 1.00 54.32 N ATOM 149 CA ASN A 12 14.512 -1.213 -0.160 1.00 65.14 C ATOM 150 C ASN A 12 13.545 -2.239 -0.751 1.00 71.41 C ATOM 151 O ASN A 12 12.458 -2.402 -0.197 1.00 62.13 O ATOM 152 CB ASN A 12 15.027 -1.756 1.181 1.00 13.34 C ATOM 153 CG ASN A 12 16.441 -1.317 1.521 1.00 22.11 C ATOM 154 OD1 ASN A 12 17.254 -1.008 0.652 1.00 23.42 O ATOM 155 ND2 ASN A 12 16.792 -1.343 2.789 1.00 61.13 N ATOM 0 H ASN A 12 13.018 0.062 0.570 1.00 54.32 H new ATOM 0 HA ASN A 12 15.350 -1.061 -0.841 1.00 65.14 H new ATOM 0 HB2 ASN A 12 14.355 -1.431 1.975 1.00 13.34 H new ATOM 0 HB3 ASN A 12 14.991 -2.845 1.159 1.00 13.34 H new ATOM 0 HD21 ASN A 12 17.746 -1.105 3.059 1.00 61.13 H new ATOM 0 HD22 ASN A 12 16.110 -1.601 3.502 1.00 61.13 H new ATOM 162 N PRO A 13 13.942 -2.993 -1.795 1.00 10.01 N ATOM 163 CA PRO A 13 13.092 -3.993 -2.436 1.00 15.11 C ATOM 164 C PRO A 13 12.819 -5.215 -1.560 1.00 40.15 C ATOM 165 O PRO A 13 11.757 -5.818 -1.700 1.00 2.14 O ATOM 166 CB PRO A 13 13.815 -4.384 -3.722 1.00 65.12 C ATOM 167 CG PRO A 13 15.283 -4.125 -3.392 1.00 20.53 C ATOM 168 CD PRO A 13 15.202 -2.883 -2.514 1.00 64.13 C ATOM 0 HA PRO A 13 12.104 -3.575 -2.627 1.00 15.11 H new ATOM 0 HB2 PRO A 13 13.639 -5.428 -3.981 1.00 65.12 H new ATOM 0 HB3 PRO A 13 13.481 -3.785 -4.569 1.00 65.12 H new ATOM 0 HG2 PRO A 13 15.737 -4.966 -2.867 1.00 20.53 H new ATOM 0 HG3 PRO A 13 15.877 -3.951 -4.289 1.00 20.53 H new ATOM 0 HD2 PRO A 13 16.044 -2.835 -1.824 1.00 64.13 H new ATOM 0 HD3 PRO A 13 15.232 -1.975 -3.116 1.00 64.13 H new ATOM 176 N GLY A 14 13.737 -5.595 -0.667 1.00 33.31 N ATOM 177 CA GLY A 14 13.506 -6.738 0.202 1.00 33.43 C ATOM 178 C GLY A 14 12.448 -6.348 1.227 1.00 74.32 C ATOM 179 O GLY A 14 11.481 -7.075 1.432 1.00 32.43 O ATOM 0 H GLY A 14 14.635 -5.130 -0.532 1.00 33.31 H new ATOM 0 HA2 GLY A 14 13.173 -7.597 -0.380 1.00 33.43 H new ATOM 0 HA3 GLY A 14 14.430 -7.029 0.701 1.00 33.43 H new ATOM 183 N LEU A 15 12.596 -5.166 1.838 1.00 62.22 N ATOM 184 CA LEU A 15 11.635 -4.667 2.818 1.00 1.55 C ATOM 185 C LEU A 15 10.271 -4.484 2.122 1.00 54.21 C ATOM 186 O LEU A 15 9.232 -4.763 2.718 1.00 60.43 O ATOM 187 CB LEU A 15 12.159 -3.370 3.476 1.00 12.23 C ATOM 188 CG LEU A 15 11.888 -3.300 4.996 1.00 51.44 C ATOM 189 CD1 LEU A 15 12.413 -1.977 5.572 1.00 73.32 C ATOM 190 CD2 LEU A 15 10.410 -3.415 5.369 1.00 44.10 C ATOM 0 H LEU A 15 13.380 -4.536 1.666 1.00 62.22 H new ATOM 0 HA LEU A 15 11.504 -5.384 3.629 1.00 1.55 H new ATOM 0 HB2 LEU A 15 13.232 -3.291 3.302 1.00 12.23 H new ATOM 0 HB3 LEU A 15 11.693 -2.512 2.992 1.00 12.23 H new ATOM 0 HG LEU A 15 12.409 -4.159 5.418 1.00 51.44 H new ATOM 0 HD11 LEU A 15 12.215 -1.942 6.643 1.00 73.32 H new ATOM 0 HD12 LEU A 15 13.487 -1.906 5.399 1.00 73.32 H new ATOM 0 HD13 LEU A 15 11.911 -1.142 5.083 1.00 73.32 H new ATOM 0 HD21 LEU A 15 10.303 -3.357 6.452 1.00 44.10 H new ATOM 0 HD22 LEU A 15 9.853 -2.601 4.905 1.00 44.10 H new ATOM 0 HD23 LEU A 15 10.019 -4.369 5.016 1.00 44.10 H new ATOM 202 N ALA A 16 10.268 -4.053 0.852 1.00 5.14 N ATOM 203 CA ALA A 16 9.061 -3.862 0.058 1.00 1.42 C ATOM 204 C ALA A 16 8.374 -5.209 -0.164 1.00 45.23 C ATOM 205 O ALA A 16 7.166 -5.320 0.016 1.00 13.22 O ATOM 206 CB ALA A 16 9.400 -3.234 -1.298 1.00 64.32 C ATOM 0 H ALA A 16 11.124 -3.825 0.345 1.00 5.14 H new ATOM 0 HA ALA A 16 8.393 -3.191 0.598 1.00 1.42 H new ATOM 0 HB1 ALA A 16 8.485 -3.100 -1.876 1.00 64.32 H new ATOM 0 HB2 ALA A 16 9.876 -2.266 -1.142 1.00 64.32 H new ATOM 0 HB3 ALA A 16 10.080 -3.889 -1.843 1.00 64.32 H new ATOM 212 N GLU A 17 9.135 -6.231 -0.564 1.00 0.13 N ATOM 213 CA GLU A 17 8.618 -7.568 -0.801 1.00 73.34 C ATOM 214 C GLU A 17 8.014 -8.120 0.487 1.00 23.41 C ATOM 215 O GLU A 17 6.928 -8.697 0.431 1.00 43.52 O ATOM 216 CB GLU A 17 9.724 -8.468 -1.354 1.00 73.04 C ATOM 217 CG GLU A 17 9.221 -9.903 -1.575 1.00 51.50 C ATOM 218 CD GLU A 17 10.310 -10.797 -2.165 1.00 3.51 C ATOM 219 OE1 GLU A 17 10.935 -10.394 -3.174 1.00 64.25 O ATOM 220 OE2 GLU A 17 10.465 -11.952 -1.712 1.00 72.02 O ATOM 0 H GLU A 17 10.137 -6.145 -0.732 1.00 0.13 H new ATOM 0 HA GLU A 17 7.826 -7.533 -1.549 1.00 73.34 H new ATOM 0 HB2 GLU A 17 10.090 -8.060 -2.296 1.00 73.04 H new ATOM 0 HB3 GLU A 17 10.566 -8.479 -0.662 1.00 73.04 H new ATOM 0 HG2 GLU A 17 8.881 -10.320 -0.627 1.00 51.50 H new ATOM 0 HG3 GLU A 17 8.360 -9.888 -2.243 1.00 51.50 H new ATOM 227 N ASN A 18 8.687 -7.919 1.627 1.00 23.42 N ATOM 228 CA ASN A 18 8.231 -8.361 2.942 1.00 32.43 C ATOM 229 C ASN A 18 6.892 -7.700 3.233 1.00 1.54 C ATOM 230 O ASN A 18 5.955 -8.386 3.630 1.00 70.41 O ATOM 231 CB ASN A 18 9.267 -8.022 4.030 1.00 55.12 C ATOM 232 CG ASN A 18 10.247 -9.164 4.252 1.00 13.34 C ATOM 233 OD1 ASN A 18 11.342 -9.193 3.691 1.00 4.20 O ATOM 234 ND2 ASN A 18 9.893 -10.123 5.083 1.00 44.55 N ATOM 0 H ASN A 18 9.583 -7.433 1.657 1.00 23.42 H new ATOM 0 HA ASN A 18 8.112 -9.445 2.945 1.00 32.43 H new ATOM 0 HB2 ASN A 18 9.814 -7.124 3.744 1.00 55.12 H new ATOM 0 HB3 ASN A 18 8.753 -7.798 4.964 1.00 55.12 H new ATOM 0 HD21 ASN A 18 10.529 -10.899 5.267 1.00 44.55 H new ATOM 0 HD22 ASN A 18 8.983 -10.089 5.543 1.00 44.55 H new ATOM 241 N PHE A 19 6.786 -6.383 3.018 1.00 71.43 N ATOM 242 CA PHE A 19 5.552 -5.643 3.243 1.00 72.34 C ATOM 243 C PHE A 19 4.428 -6.213 2.394 1.00 24.13 C ATOM 244 O PHE A 19 3.375 -6.553 2.929 1.00 13.43 O ATOM 245 CB PHE A 19 5.751 -4.143 2.963 1.00 34.43 C ATOM 246 CG PHE A 19 4.447 -3.369 2.875 1.00 12.04 C ATOM 247 CD1 PHE A 19 4.121 -2.673 1.697 1.00 52.01 C ATOM 248 CD2 PHE A 19 3.524 -3.393 3.939 1.00 60.44 C ATOM 249 CE1 PHE A 19 2.882 -2.025 1.567 1.00 32.42 C ATOM 250 CE2 PHE A 19 2.291 -2.732 3.819 1.00 72.12 C ATOM 251 CZ PHE A 19 1.964 -2.059 2.627 1.00 13.13 C ATOM 0 H PHE A 19 7.557 -5.806 2.683 1.00 71.43 H new ATOM 0 HA PHE A 19 5.274 -5.750 4.292 1.00 72.34 H new ATOM 0 HB2 PHE A 19 6.368 -3.712 3.751 1.00 34.43 H new ATOM 0 HB3 PHE A 19 6.299 -4.025 2.028 1.00 34.43 H new ATOM 0 HD1 PHE A 19 4.831 -2.637 0.884 1.00 52.01 H new ATOM 0 HD2 PHE A 19 3.765 -3.921 4.850 1.00 60.44 H new ATOM 0 HE1 PHE A 19 2.637 -1.502 0.654 1.00 32.42 H new ATOM 0 HE2 PHE A 19 1.593 -2.740 4.643 1.00 72.12 H new ATOM 0 HZ PHE A 19 1.007 -1.569 2.528 1.00 13.13 H new ATOM 261 N LEU A 20 4.652 -6.309 1.086 1.00 21.02 N ATOM 262 CA LEU A 20 3.681 -6.826 0.138 1.00 62.03 C ATOM 263 C LEU A 20 3.264 -8.243 0.523 1.00 34.02 C ATOM 264 O LEU A 20 2.070 -8.523 0.519 1.00 32.33 O ATOM 265 CB LEU A 20 4.278 -6.775 -1.281 1.00 22.02 C ATOM 266 CG LEU A 20 4.074 -5.452 -2.054 1.00 12.32 C ATOM 267 CD1 LEU A 20 4.112 -4.162 -1.234 1.00 71.52 C ATOM 268 CD2 LEU A 20 5.159 -5.316 -3.124 1.00 42.13 C ATOM 0 H LEU A 20 5.530 -6.024 0.652 1.00 21.02 H new ATOM 0 HA LEU A 20 2.783 -6.208 0.157 1.00 62.03 H new ATOM 0 HB2 LEU A 20 5.348 -6.971 -1.211 1.00 22.02 H new ATOM 0 HB3 LEU A 20 3.843 -7.585 -1.866 1.00 22.02 H new ATOM 0 HG LEU A 20 3.062 -5.542 -2.448 1.00 12.32 H new ATOM 0 HD11 LEU A 20 3.956 -3.308 -1.893 1.00 71.52 H new ATOM 0 HD12 LEU A 20 3.325 -4.187 -0.480 1.00 71.52 H new ATOM 0 HD13 LEU A 20 5.081 -4.071 -0.744 1.00 71.52 H new ATOM 0 HD21 LEU A 20 5.017 -4.383 -3.670 1.00 42.13 H new ATOM 0 HD22 LEU A 20 6.140 -5.312 -2.649 1.00 42.13 H new ATOM 0 HD23 LEU A 20 5.094 -6.155 -3.816 1.00 42.13 H new ATOM 280 N ASN A 21 4.205 -9.113 0.892 1.00 71.13 N ATOM 281 CA ASN A 21 3.915 -10.493 1.262 1.00 62.14 C ATOM 282 C ASN A 21 3.074 -10.542 2.531 1.00 53.52 C ATOM 283 O ASN A 21 2.001 -11.138 2.512 1.00 23.42 O ATOM 284 CB ASN A 21 5.217 -11.292 1.434 1.00 60.43 C ATOM 285 CG ASN A 21 4.933 -12.763 1.722 1.00 65.54 C ATOM 286 OD1 ASN A 21 4.543 -13.123 2.827 1.00 0.12 O ATOM 287 ND2 ASN A 21 5.146 -13.646 0.761 1.00 22.14 N ATOM 0 H ASN A 21 5.196 -8.875 0.942 1.00 71.13 H new ATOM 0 HA ASN A 21 3.340 -10.952 0.458 1.00 62.14 H new ATOM 0 HB2 ASN A 21 5.820 -11.206 0.530 1.00 60.43 H new ATOM 0 HB3 ASN A 21 5.802 -10.866 2.249 1.00 60.43 H new ATOM 0 HD21 ASN A 21 4.986 -14.638 0.935 1.00 22.14 H new ATOM 0 HD22 ASN A 21 5.470 -13.335 -0.155 1.00 22.14 H new ATOM 294 N SER A 22 3.506 -9.873 3.606 1.00 22.01 N ATOM 295 CA SER A 22 2.781 -9.863 4.867 1.00 5.15 C ATOM 296 C SER A 22 1.377 -9.285 4.675 1.00 43.01 C ATOM 297 O SER A 22 0.393 -9.895 5.101 1.00 53.13 O ATOM 298 CB SER A 22 3.584 -9.063 5.905 1.00 13.35 C ATOM 299 OG SER A 22 4.811 -9.693 6.226 1.00 40.11 O ATOM 0 H SER A 22 4.367 -9.326 3.619 1.00 22.01 H new ATOM 0 HA SER A 22 2.662 -10.884 5.230 1.00 5.15 H new ATOM 0 HB2 SER A 22 3.780 -8.063 5.519 1.00 13.35 H new ATOM 0 HB3 SER A 22 2.989 -8.945 6.811 1.00 13.35 H new ATOM 0 HG SER A 22 5.474 -9.489 5.534 1.00 40.11 H new ATOM 305 N PHE A 23 1.275 -8.142 3.996 1.00 31.20 N ATOM 306 CA PHE A 23 0.008 -7.488 3.745 1.00 72.03 C ATOM 307 C PHE A 23 -0.916 -8.398 2.949 1.00 64.41 C ATOM 308 O PHE A 23 -2.042 -8.621 3.378 1.00 3.11 O ATOM 309 CB PHE A 23 0.234 -6.149 3.030 1.00 61.34 C ATOM 310 CG PHE A 23 -1.050 -5.489 2.569 1.00 4.45 C ATOM 311 CD1 PHE A 23 -1.351 -5.431 1.197 1.00 24.11 C ATOM 312 CD2 PHE A 23 -1.968 -4.980 3.507 1.00 51.31 C ATOM 313 CE1 PHE A 23 -2.559 -4.865 0.764 1.00 30.22 C ATOM 314 CE2 PHE A 23 -3.176 -4.406 3.071 1.00 3.24 C ATOM 315 CZ PHE A 23 -3.471 -4.350 1.699 1.00 73.33 C ATOM 0 H PHE A 23 2.078 -7.648 3.606 1.00 31.20 H new ATOM 0 HA PHE A 23 -0.477 -7.281 4.699 1.00 72.03 H new ATOM 0 HB2 PHE A 23 0.761 -5.471 3.701 1.00 61.34 H new ATOM 0 HB3 PHE A 23 0.881 -6.311 2.168 1.00 61.34 H new ATOM 0 HD1 PHE A 23 -0.650 -5.823 0.475 1.00 24.11 H new ATOM 0 HD2 PHE A 23 -1.745 -5.030 4.562 1.00 51.31 H new ATOM 0 HE1 PHE A 23 -2.788 -4.825 -0.291 1.00 30.22 H new ATOM 0 HE2 PHE A 23 -3.876 -4.009 3.791 1.00 3.24 H new ATOM 0 HZ PHE A 23 -4.399 -3.911 1.363 1.00 73.33 H new ATOM 325 N LEU A 24 -0.467 -8.921 1.807 1.00 20.24 N ATOM 326 CA LEU A 24 -1.284 -9.790 0.957 1.00 71.42 C ATOM 327 C LEU A 24 -1.730 -11.049 1.691 1.00 12.24 C ATOM 328 O LEU A 24 -2.914 -11.388 1.616 1.00 21.43 O ATOM 329 CB LEU A 24 -0.570 -10.149 -0.359 1.00 32.13 C ATOM 330 CG LEU A 24 -0.454 -8.968 -1.345 1.00 0.23 C ATOM 331 CD1 LEU A 24 0.413 -9.370 -2.542 1.00 21.22 C ATOM 332 CD2 LEU A 24 -1.816 -8.497 -1.871 1.00 33.23 C ATOM 0 H LEU A 24 0.472 -8.755 1.445 1.00 20.24 H new ATOM 0 HA LEU A 24 -2.177 -9.219 0.703 1.00 71.42 H new ATOM 0 HB2 LEU A 24 0.429 -10.519 -0.130 1.00 32.13 H new ATOM 0 HB3 LEU A 24 -1.108 -10.964 -0.843 1.00 32.13 H new ATOM 0 HG LEU A 24 -0.001 -8.146 -0.791 1.00 0.23 H new ATOM 0 HD11 LEU A 24 0.490 -8.531 -3.234 1.00 21.22 H new ATOM 0 HD12 LEU A 24 1.408 -9.646 -2.194 1.00 21.22 H new ATOM 0 HD13 LEU A 24 -0.042 -10.220 -3.052 1.00 21.22 H new ATOM 0 HD21 LEU A 24 -1.672 -7.665 -2.560 1.00 33.23 H new ATOM 0 HD22 LEU A 24 -2.309 -9.318 -2.392 1.00 33.23 H new ATOM 0 HD23 LEU A 24 -2.436 -8.173 -1.035 1.00 33.23 H new ATOM 344 N GLN A 25 -0.820 -11.716 2.409 1.00 13.40 N ATOM 345 CA GLN A 25 -1.123 -12.927 3.162 1.00 70.53 C ATOM 346 C GLN A 25 -2.303 -12.680 4.109 1.00 41.23 C ATOM 347 O GLN A 25 -3.246 -13.475 4.123 1.00 45.34 O ATOM 348 CB GLN A 25 0.116 -13.407 3.940 1.00 22.51 C ATOM 349 CG GLN A 25 1.176 -14.114 3.080 1.00 35.11 C ATOM 350 CD GLN A 25 0.748 -15.532 2.721 1.00 51.05 C ATOM 351 OE1 GLN A 25 0.780 -16.433 3.559 1.00 51.14 O ATOM 352 NE2 GLN A 25 0.344 -15.757 1.487 1.00 23.35 N ATOM 0 H GLN A 25 0.155 -11.424 2.481 1.00 13.40 H new ATOM 0 HA GLN A 25 -1.404 -13.713 2.461 1.00 70.53 H new ATOM 0 HB2 GLN A 25 0.577 -12.549 4.429 1.00 22.51 H new ATOM 0 HB3 GLN A 25 -0.207 -14.087 4.728 1.00 22.51 H new ATOM 0 HG2 GLN A 25 1.347 -13.542 2.168 1.00 35.11 H new ATOM 0 HG3 GLN A 25 2.123 -14.144 3.619 1.00 35.11 H new ATOM 0 HE21 GLN A 25 0.326 -14.995 0.809 1.00 23.35 H new ATOM 0 HE22 GLN A 25 0.049 -16.693 1.210 1.00 23.35 H new ATOM 361 N GLY A 26 -2.281 -11.579 4.867 1.00 2.31 N ATOM 362 CA GLY A 26 -3.351 -11.246 5.798 1.00 72.10 C ATOM 363 C GLY A 26 -4.602 -10.722 5.092 1.00 22.02 C ATOM 364 O GLY A 26 -5.721 -11.097 5.442 1.00 70.54 O ATOM 0 H GLY A 26 -1.521 -10.899 4.849 1.00 2.31 H new ATOM 0 HA2 GLY A 26 -3.610 -12.131 6.380 1.00 72.10 H new ATOM 0 HA3 GLY A 26 -2.994 -10.495 6.502 1.00 72.10 H new ATOM 368 N LEU A 27 -4.436 -9.856 4.089 1.00 21.02 N ATOM 369 CA LEU A 27 -5.508 -9.244 3.308 1.00 4.54 C ATOM 370 C LEU A 27 -6.395 -10.316 2.668 1.00 44.34 C ATOM 371 O LEU A 27 -7.613 -10.138 2.651 1.00 62.42 O ATOM 372 CB LEU A 27 -4.894 -8.229 2.327 1.00 12.14 C ATOM 373 CG LEU A 27 -5.828 -7.233 1.624 1.00 71.31 C ATOM 374 CD1 LEU A 27 -6.572 -7.860 0.455 1.00 61.20 C ATOM 375 CD2 LEU A 27 -6.813 -6.529 2.570 1.00 43.34 C ATOM 0 H LEU A 27 -3.510 -9.551 3.788 1.00 21.02 H new ATOM 0 HA LEU A 27 -6.188 -8.680 3.947 1.00 4.54 H new ATOM 0 HB2 LEU A 27 -4.145 -7.654 2.871 1.00 12.14 H new ATOM 0 HB3 LEU A 27 -4.367 -8.790 1.556 1.00 12.14 H new ATOM 0 HG LEU A 27 -5.161 -6.464 1.235 1.00 71.31 H new ATOM 0 HD11 LEU A 27 -7.218 -7.114 -0.007 1.00 61.20 H new ATOM 0 HD12 LEU A 27 -5.854 -8.224 -0.280 1.00 61.20 H new ATOM 0 HD13 LEU A 27 -7.177 -8.693 0.813 1.00 61.20 H new ATOM 0 HD21 LEU A 27 -7.438 -5.842 1.999 1.00 43.34 H new ATOM 0 HD22 LEU A 27 -7.443 -7.272 3.058 1.00 43.34 H new ATOM 0 HD23 LEU A 27 -6.258 -5.972 3.325 1.00 43.34 H new ATOM 387 N SER A 28 -5.821 -11.441 2.228 1.00 64.22 N ATOM 388 CA SER A 28 -6.531 -12.565 1.613 1.00 61.30 C ATOM 389 C SER A 28 -7.509 -13.248 2.588 1.00 20.15 C ATOM 390 O SER A 28 -8.454 -13.925 2.163 1.00 13.01 O ATOM 391 CB SER A 28 -5.480 -13.568 1.120 1.00 42.42 C ATOM 392 OG SER A 28 -6.010 -14.490 0.188 1.00 43.42 O ATOM 0 H SER A 28 -4.815 -11.598 2.293 1.00 64.22 H new ATOM 0 HA SER A 28 -7.136 -12.192 0.786 1.00 61.30 H new ATOM 0 HB2 SER A 28 -4.652 -13.027 0.661 1.00 42.42 H new ATOM 0 HB3 SER A 28 -5.072 -14.111 1.972 1.00 42.42 H new ATOM 0 HG SER A 28 -5.305 -15.107 -0.099 1.00 43.42 H new ATOM 398 N SER A 29 -7.316 -13.066 3.894 1.00 11.15 N ATOM 399 CA SER A 29 -8.162 -13.634 4.938 1.00 11.34 C ATOM 400 C SER A 29 -9.042 -12.549 5.571 1.00 72.55 C ATOM 401 O SER A 29 -9.950 -12.862 6.340 1.00 45.43 O ATOM 402 CB SER A 29 -7.275 -14.299 5.994 1.00 44.24 C ATOM 403 OG SER A 29 -6.272 -15.087 5.379 1.00 33.14 O ATOM 0 H SER A 29 -6.548 -12.505 4.262 1.00 11.15 H new ATOM 0 HA SER A 29 -8.823 -14.382 4.501 1.00 11.34 H new ATOM 0 HB2 SER A 29 -6.812 -13.536 6.621 1.00 44.24 H new ATOM 0 HB3 SER A 29 -7.884 -14.922 6.648 1.00 44.24 H new ATOM 0 HG SER A 29 -5.714 -15.503 6.069 1.00 33.14 H new ATOM 409 N MET A 30 -8.785 -11.276 5.266 1.00 41.42 N ATOM 410 CA MET A 30 -9.515 -10.129 5.776 1.00 45.44 C ATOM 411 C MET A 30 -10.673 -9.768 4.839 1.00 65.24 C ATOM 412 O MET A 30 -10.574 -9.969 3.627 1.00 11.23 O ATOM 413 CB MET A 30 -8.548 -8.941 5.871 1.00 62.30 C ATOM 414 CG MET A 30 -7.648 -9.047 7.104 1.00 1.25 C ATOM 415 SD MET A 30 -8.441 -8.597 8.669 1.00 71.40 S ATOM 416 CE MET A 30 -8.747 -6.835 8.408 1.00 14.33 C ATOM 0 H MET A 30 -8.031 -11.012 4.631 1.00 41.42 H new ATOM 0 HA MET A 30 -9.926 -10.368 6.757 1.00 45.44 H new ATOM 0 HB2 MET A 30 -7.932 -8.899 4.973 1.00 62.30 H new ATOM 0 HB3 MET A 30 -9.115 -8.011 5.912 1.00 62.30 H new ATOM 0 HG2 MET A 30 -7.281 -10.070 7.181 1.00 1.25 H new ATOM 0 HG3 MET A 30 -6.778 -8.407 6.957 1.00 1.25 H new ATOM 0 HE1 MET A 30 -9.118 -6.389 9.331 1.00 14.33 H new ATOM 0 HE2 MET A 30 -7.819 -6.344 8.115 1.00 14.33 H new ATOM 0 HE3 MET A 30 -9.489 -6.707 7.620 1.00 14.33 H new ATOM 426 N PRO A 31 -11.718 -9.096 5.354 1.00 64.24 N ATOM 427 CA PRO A 31 -12.899 -8.689 4.585 1.00 2.22 C ATOM 428 C PRO A 31 -12.659 -7.548 3.579 1.00 23.22 C ATOM 429 O PRO A 31 -13.607 -6.956 3.057 1.00 43.23 O ATOM 430 CB PRO A 31 -13.929 -8.316 5.651 1.00 25.22 C ATOM 431 CG PRO A 31 -13.116 -7.907 6.873 1.00 40.04 C ATOM 432 CD PRO A 31 -11.899 -8.813 6.773 1.00 60.51 C ATOM 0 HA PRO A 31 -13.228 -9.499 3.934 1.00 2.22 H new ATOM 0 HB2 PRO A 31 -14.567 -7.500 5.312 1.00 25.22 H new ATOM 0 HB3 PRO A 31 -14.583 -9.158 5.878 1.00 25.22 H new ATOM 0 HG2 PRO A 31 -12.841 -6.853 6.844 1.00 40.04 H new ATOM 0 HG3 PRO A 31 -13.667 -8.067 7.800 1.00 40.04 H new ATOM 0 HD2 PRO A 31 -11.016 -8.327 7.189 1.00 60.51 H new ATOM 0 HD3 PRO A 31 -12.051 -9.733 7.337 1.00 60.51 H new ATOM 440 N GLY A 32 -11.397 -7.188 3.353 1.00 61.13 N ATOM 441 CA GLY A 32 -10.982 -6.143 2.435 1.00 14.21 C ATOM 442 C GLY A 32 -11.343 -6.509 1.003 1.00 13.04 C ATOM 443 O GLY A 32 -12.336 -6.013 0.482 1.00 53.10 O ATOM 0 H GLY A 32 -10.611 -7.636 3.824 1.00 61.13 H new ATOM 0 HA2 GLY A 32 -11.461 -5.202 2.707 1.00 14.21 H new ATOM 0 HA3 GLY A 32 -9.906 -5.988 2.516 1.00 14.21 H new ATOM 447 N PHE A 33 -10.513 -7.314 0.348 1.00 43.45 N ATOM 448 CA PHE A 33 -10.726 -7.746 -1.033 1.00 75.13 C ATOM 449 C PHE A 33 -11.268 -9.171 -1.058 1.00 1.32 C ATOM 450 O PHE A 33 -11.443 -9.780 -0.001 1.00 53.34 O ATOM 451 CB PHE A 33 -9.429 -7.552 -1.827 1.00 54.15 C ATOM 452 CG PHE A 33 -9.146 -6.083 -2.096 1.00 24.21 C ATOM 453 CD1 PHE A 33 -8.699 -5.231 -1.063 1.00 14.15 C ATOM 454 CD2 PHE A 33 -9.388 -5.545 -3.377 1.00 54.44 C ATOM 455 CE1 PHE A 33 -8.521 -3.868 -1.320 1.00 62.33 C ATOM 456 CE2 PHE A 33 -9.241 -4.165 -3.612 1.00 21.52 C ATOM 457 CZ PHE A 33 -8.809 -3.322 -2.579 1.00 34.24 C ATOM 0 H PHE A 33 -9.662 -7.691 0.765 1.00 43.45 H new ATOM 0 HA PHE A 33 -11.485 -7.135 -1.522 1.00 75.13 H new ATOM 0 HB2 PHE A 33 -8.596 -7.987 -1.275 1.00 54.15 H new ATOM 0 HB3 PHE A 33 -9.499 -8.088 -2.774 1.00 54.15 H new ATOM 0 HD1 PHE A 33 -8.496 -5.629 -0.080 1.00 14.15 H new ATOM 0 HD2 PHE A 33 -9.688 -6.197 -4.184 1.00 54.44 H new ATOM 0 HE1 PHE A 33 -8.155 -3.224 -0.534 1.00 62.33 H new ATOM 0 HE2 PHE A 33 -9.461 -3.756 -4.587 1.00 21.52 H new ATOM 0 HZ PHE A 33 -8.699 -2.262 -2.751 1.00 34.24 H new ATOM 467 N THR A 34 -11.561 -9.677 -2.249 1.00 45.41 N ATOM 468 CA THR A 34 -12.071 -11.013 -2.498 1.00 11.53 C ATOM 469 C THR A 34 -10.933 -11.828 -3.126 1.00 61.55 C ATOM 470 O THR A 34 -10.009 -11.254 -3.718 1.00 11.21 O ATOM 471 CB THR A 34 -13.377 -10.912 -3.316 1.00 22.11 C ATOM 472 OG1 THR A 34 -13.273 -10.007 -4.409 1.00 43.52 O ATOM 473 CG2 THR A 34 -14.508 -10.387 -2.419 1.00 23.30 C ATOM 0 H THR A 34 -11.443 -9.138 -3.107 1.00 45.41 H new ATOM 0 HA THR A 34 -12.362 -11.548 -1.594 1.00 11.53 H new ATOM 0 HB THR A 34 -13.577 -11.914 -3.695 1.00 22.11 H new ATOM 0 HG1 THR A 34 -14.124 -9.981 -4.894 1.00 43.52 H new ATOM 0 HG21 THR A 34 -15.429 -10.316 -2.998 1.00 23.30 H new ATOM 0 HG22 THR A 34 -14.657 -11.071 -1.583 1.00 23.30 H new ATOM 0 HG23 THR A 34 -14.242 -9.401 -2.038 1.00 23.30 H new ATOM 481 N ALA A 35 -11.012 -13.158 -3.041 1.00 30.43 N ATOM 482 CA ALA A 35 -10.004 -14.087 -3.537 1.00 50.42 C ATOM 483 C ALA A 35 -9.556 -13.835 -4.980 1.00 40.43 C ATOM 484 O ALA A 35 -8.347 -13.848 -5.215 1.00 3.41 O ATOM 485 CB ALA A 35 -10.500 -15.520 -3.352 1.00 65.53 C ATOM 0 H ALA A 35 -11.807 -13.630 -2.610 1.00 30.43 H new ATOM 0 HA ALA A 35 -9.107 -13.918 -2.941 1.00 50.42 H new ATOM 0 HB1 ALA A 35 -9.747 -16.216 -3.722 1.00 65.53 H new ATOM 0 HB2 ALA A 35 -10.680 -15.709 -2.294 1.00 65.53 H new ATOM 0 HB3 ALA A 35 -11.427 -15.659 -3.908 1.00 65.53 H new ATOM 491 N SER A 36 -10.463 -13.551 -5.921 1.00 65.54 N ATOM 492 CA SER A 36 -10.067 -13.298 -7.307 1.00 3.32 C ATOM 493 C SER A 36 -9.071 -12.139 -7.377 1.00 11.31 C ATOM 494 O SER A 36 -8.008 -12.252 -7.991 1.00 64.32 O ATOM 495 CB SER A 36 -11.281 -12.949 -8.177 1.00 44.05 C ATOM 496 OG SER A 36 -12.326 -13.885 -8.057 1.00 70.31 O ATOM 0 H SER A 36 -11.467 -13.491 -5.749 1.00 65.54 H new ATOM 0 HA SER A 36 -9.605 -14.211 -7.683 1.00 3.32 H new ATOM 0 HB2 SER A 36 -11.650 -11.962 -7.899 1.00 44.05 H new ATOM 0 HB3 SER A 36 -10.970 -12.890 -9.220 1.00 44.05 H new ATOM 0 HG SER A 36 -13.162 -13.484 -8.374 1.00 70.31 H new ATOM 502 N GLN A 37 -9.418 -11.015 -6.741 1.00 34.20 N ATOM 503 CA GLN A 37 -8.590 -9.823 -6.735 1.00 12.13 C ATOM 504 C GLN A 37 -7.219 -10.103 -6.120 1.00 71.54 C ATOM 505 O GLN A 37 -6.222 -9.595 -6.625 1.00 32.12 O ATOM 506 CB GLN A 37 -9.312 -8.656 -6.031 1.00 42.32 C ATOM 507 CG GLN A 37 -10.733 -8.357 -6.554 1.00 30.40 C ATOM 508 CD GLN A 37 -10.861 -8.209 -8.076 1.00 34.51 C ATOM 509 OE1 GLN A 37 -9.918 -7.872 -8.783 1.00 51.34 O ATOM 510 NE2 GLN A 37 -12.048 -8.425 -8.611 1.00 61.22 N ATOM 0 H GLN A 37 -10.287 -10.915 -6.216 1.00 34.20 H new ATOM 0 HA GLN A 37 -8.419 -9.523 -7.769 1.00 12.13 H new ATOM 0 HB2 GLN A 37 -9.372 -8.876 -4.965 1.00 42.32 H new ATOM 0 HB3 GLN A 37 -8.705 -7.757 -6.137 1.00 42.32 H new ATOM 0 HG2 GLN A 37 -11.397 -9.157 -6.228 1.00 30.40 H new ATOM 0 HG3 GLN A 37 -11.087 -7.438 -6.086 1.00 30.40 H new ATOM 0 HE21 GLN A 37 -12.830 -8.705 -8.020 1.00 61.22 H new ATOM 0 HE22 GLN A 37 -12.183 -8.312 -9.616 1.00 61.22 H new ATOM 519 N LEU A 38 -7.131 -10.919 -5.063 1.00 31.33 N ATOM 520 CA LEU A 38 -5.854 -11.228 -4.426 1.00 34.13 C ATOM 521 C LEU A 38 -4.842 -11.873 -5.364 1.00 54.11 C ATOM 522 O LEU A 38 -3.646 -11.726 -5.108 1.00 1.41 O ATOM 523 CB LEU A 38 -6.058 -12.168 -3.225 1.00 30.35 C ATOM 524 CG LEU A 38 -6.158 -11.484 -1.863 1.00 32.41 C ATOM 525 CD1 LEU A 38 -4.894 -10.692 -1.516 1.00 41.21 C ATOM 526 CD2 LEU A 38 -7.419 -10.633 -1.721 1.00 64.53 C ATOM 0 H LEU A 38 -7.935 -11.377 -4.633 1.00 31.33 H new ATOM 0 HA LEU A 38 -5.453 -10.266 -4.108 1.00 34.13 H new ATOM 0 HB2 LEU A 38 -6.967 -12.746 -3.389 1.00 30.35 H new ATOM 0 HB3 LEU A 38 -5.230 -12.877 -3.196 1.00 30.35 H new ATOM 0 HG LEU A 38 -6.242 -12.286 -1.130 1.00 32.41 H new ATOM 0 HD11 LEU A 38 -5.014 -10.224 -0.539 1.00 41.21 H new ATOM 0 HD12 LEU A 38 -4.037 -11.366 -1.493 1.00 41.21 H new ATOM 0 HD13 LEU A 38 -4.729 -9.921 -2.269 1.00 41.21 H new ATOM 0 HD21 LEU A 38 -7.437 -10.171 -0.734 1.00 64.53 H new ATOM 0 HD22 LEU A 38 -7.421 -9.856 -2.485 1.00 64.53 H new ATOM 0 HD23 LEU A 38 -8.299 -11.264 -1.842 1.00 64.53 H new ATOM 538 N ASP A 39 -5.277 -12.614 -6.384 1.00 23.45 N ATOM 539 CA ASP A 39 -4.340 -13.240 -7.312 1.00 43.31 C ATOM 540 C ASP A 39 -3.667 -12.152 -8.144 1.00 54.01 C ATOM 541 O ASP A 39 -2.442 -12.035 -8.146 1.00 62.15 O ATOM 542 CB ASP A 39 -5.037 -14.256 -8.212 1.00 33.43 C ATOM 543 CG ASP A 39 -3.980 -14.973 -9.046 1.00 42.34 C ATOM 544 OD1 ASP A 39 -3.747 -14.603 -10.210 1.00 43.23 O ATOM 545 OD2 ASP A 39 -3.393 -15.959 -8.539 1.00 22.04 O ATOM 0 H ASP A 39 -6.261 -12.793 -6.586 1.00 23.45 H new ATOM 0 HA ASP A 39 -3.588 -13.784 -6.741 1.00 43.31 H new ATOM 0 HB2 ASP A 39 -5.595 -14.974 -7.611 1.00 33.43 H new ATOM 0 HB3 ASP A 39 -5.756 -13.756 -8.861 1.00 33.43 H new ATOM 550 N ASP A 40 -4.484 -11.305 -8.780 1.00 62.10 N ATOM 551 CA ASP A 40 -4.035 -10.192 -9.618 1.00 33.53 C ATOM 552 C ASP A 40 -3.142 -9.256 -8.819 1.00 1.15 C ATOM 553 O ASP A 40 -2.132 -8.759 -9.333 1.00 73.30 O ATOM 554 CB ASP A 40 -5.237 -9.402 -10.157 1.00 13.41 C ATOM 555 CG ASP A 40 -5.637 -9.942 -11.521 1.00 22.11 C ATOM 556 OD1 ASP A 40 -6.689 -10.610 -11.632 1.00 43.30 O ATOM 557 OD2 ASP A 40 -4.903 -9.666 -12.494 1.00 61.21 O ATOM 0 H ASP A 40 -5.500 -11.378 -8.724 1.00 62.10 H new ATOM 0 HA ASP A 40 -3.473 -10.606 -10.455 1.00 33.53 H new ATOM 0 HB2 ASP A 40 -6.075 -9.480 -9.465 1.00 13.41 H new ATOM 0 HB3 ASP A 40 -4.984 -8.345 -10.234 1.00 13.41 H new ATOM 562 N LEU A 41 -3.498 -9.037 -7.555 1.00 2.54 N ATOM 563 CA LEU A 41 -2.786 -8.200 -6.606 1.00 21.53 C ATOM 564 C LEU A 41 -1.339 -8.676 -6.436 1.00 53.42 C ATOM 565 O LEU A 41 -0.479 -7.855 -6.110 1.00 1.03 O ATOM 566 CB LEU A 41 -3.534 -8.154 -5.267 1.00 40.44 C ATOM 567 CG LEU A 41 -4.382 -6.896 -4.996 1.00 52.30 C ATOM 568 CD1 LEU A 41 -3.490 -5.679 -4.744 1.00 74.00 C ATOM 569 CD2 LEU A 41 -5.423 -6.541 -6.068 1.00 11.21 C ATOM 0 H LEU A 41 -4.332 -9.462 -7.150 1.00 2.54 H new ATOM 0 HA LEU A 41 -2.746 -7.183 -6.997 1.00 21.53 H new ATOM 0 HB2 LEU A 41 -4.188 -9.025 -5.211 1.00 40.44 H new ATOM 0 HB3 LEU A 41 -2.803 -8.252 -4.464 1.00 40.44 H new ATOM 0 HG LEU A 41 -4.954 -7.160 -4.106 1.00 52.30 H new ATOM 0 HD11 LEU A 41 -4.113 -4.804 -4.555 1.00 74.00 H new ATOM 0 HD12 LEU A 41 -2.855 -5.866 -3.878 1.00 74.00 H new ATOM 0 HD13 LEU A 41 -2.866 -5.498 -5.619 1.00 74.00 H new ATOM 0 HD21 LEU A 41 -5.959 -5.640 -5.771 1.00 11.21 H new ATOM 0 HD22 LEU A 41 -4.921 -6.367 -7.020 1.00 11.21 H new ATOM 0 HD23 LEU A 41 -6.130 -7.364 -6.176 1.00 11.21 H new ATOM 581 N SER A 42 -1.072 -9.979 -6.582 1.00 32.14 N ATOM 582 CA SER A 42 0.266 -10.533 -6.458 1.00 21.34 C ATOM 583 C SER A 42 1.124 -10.044 -7.631 1.00 21.23 C ATOM 584 O SER A 42 2.290 -9.688 -7.431 1.00 20.42 O ATOM 585 CB SER A 42 0.200 -12.065 -6.411 1.00 30.43 C ATOM 586 OG SER A 42 1.328 -12.575 -5.715 1.00 13.00 O ATOM 0 H SER A 42 -1.787 -10.676 -6.790 1.00 32.14 H new ATOM 0 HA SER A 42 0.724 -10.195 -5.529 1.00 21.34 H new ATOM 0 HB2 SER A 42 -0.718 -12.383 -5.917 1.00 30.43 H new ATOM 0 HB3 SER A 42 0.173 -12.468 -7.423 1.00 30.43 H new ATOM 0 HG SER A 42 1.280 -13.553 -5.686 1.00 13.00 H new ATOM 592 N THR A 43 0.582 -10.014 -8.848 1.00 34.51 N ATOM 593 CA THR A 43 1.291 -9.552 -10.034 1.00 53.42 C ATOM 594 C THR A 43 1.593 -8.058 -9.850 1.00 74.34 C ATOM 595 O THR A 43 2.734 -7.626 -10.011 1.00 20.22 O ATOM 596 CB THR A 43 0.441 -9.851 -11.282 1.00 11.31 C ATOM 597 OG1 THR A 43 -0.105 -11.156 -11.201 1.00 65.22 O ATOM 598 CG2 THR A 43 1.281 -9.772 -12.553 1.00 74.43 C ATOM 0 H THR A 43 -0.374 -10.314 -9.037 1.00 34.51 H new ATOM 0 HA THR A 43 2.239 -10.072 -10.173 1.00 53.42 H new ATOM 0 HB THR A 43 -0.352 -9.105 -11.320 1.00 11.31 H new ATOM 0 HG1 THR A 43 -0.645 -11.335 -11.999 1.00 65.22 H new ATOM 0 HG21 THR A 43 0.654 -9.988 -13.418 1.00 74.43 H new ATOM 0 HG22 THR A 43 1.701 -8.771 -12.650 1.00 74.43 H new ATOM 0 HG23 THR A 43 2.090 -10.501 -12.501 1.00 74.43 H new ATOM 606 N ILE A 44 0.582 -7.293 -9.419 1.00 53.44 N ATOM 607 CA ILE A 44 0.661 -5.855 -9.162 1.00 64.45 C ATOM 608 C ILE A 44 1.803 -5.592 -8.165 1.00 53.45 C ATOM 609 O ILE A 44 2.611 -4.681 -8.348 1.00 21.15 O ATOM 610 CB ILE A 44 -0.727 -5.371 -8.655 1.00 22.24 C ATOM 611 CG1 ILE A 44 -1.774 -5.451 -9.791 1.00 13.25 C ATOM 612 CG2 ILE A 44 -0.680 -3.950 -8.070 1.00 21.34 C ATOM 613 CD1 ILE A 44 -3.239 -5.274 -9.376 1.00 71.03 C ATOM 0 H ILE A 44 -0.345 -7.675 -9.234 1.00 53.44 H new ATOM 0 HA ILE A 44 0.892 -5.289 -10.064 1.00 64.45 H new ATOM 0 HB ILE A 44 -1.020 -6.039 -7.845 1.00 22.24 H new ATOM 0 HG12 ILE A 44 -1.534 -4.689 -10.532 1.00 13.25 H new ATOM 0 HG13 ILE A 44 -1.672 -6.418 -10.283 1.00 13.25 H new ATOM 0 HG21 ILE A 44 -1.675 -3.663 -7.731 1.00 21.34 H new ATOM 0 HG22 ILE A 44 0.011 -3.926 -7.227 1.00 21.34 H new ATOM 0 HG23 ILE A 44 -0.342 -3.252 -8.836 1.00 21.34 H new ATOM 0 HD11 ILE A 44 -3.878 -5.350 -10.256 1.00 71.03 H new ATOM 0 HD12 ILE A 44 -3.511 -6.051 -8.662 1.00 71.03 H new ATOM 0 HD13 ILE A 44 -3.371 -4.295 -8.915 1.00 71.03 H new ATOM 625 N ALA A 45 1.884 -6.399 -7.104 1.00 71.43 N ATOM 626 CA ALA A 45 2.904 -6.275 -6.078 1.00 42.22 C ATOM 627 C ALA A 45 4.310 -6.434 -6.666 1.00 30.00 C ATOM 628 O ALA A 45 5.187 -5.629 -6.344 1.00 53.22 O ATOM 629 CB ALA A 45 2.614 -7.284 -4.962 1.00 32.20 C ATOM 0 H ALA A 45 1.231 -7.165 -6.938 1.00 71.43 H new ATOM 0 HA ALA A 45 2.873 -5.273 -5.650 1.00 42.22 H new ATOM 0 HB1 ALA A 45 3.375 -7.198 -4.187 1.00 32.20 H new ATOM 0 HB2 ALA A 45 1.634 -7.079 -4.532 1.00 32.20 H new ATOM 0 HB3 ALA A 45 2.626 -8.294 -5.372 1.00 32.20 H new ATOM 635 N GLN A 46 4.549 -7.441 -7.514 1.00 52.41 N ATOM 636 CA GLN A 46 5.855 -7.650 -8.115 1.00 72.54 C ATOM 637 C GLN A 46 6.273 -6.436 -8.948 1.00 52.30 C ATOM 638 O GLN A 46 7.445 -6.057 -8.932 1.00 4.40 O ATOM 639 CB GLN A 46 5.847 -8.931 -8.943 1.00 73.35 C ATOM 640 CG GLN A 46 5.789 -10.206 -8.092 1.00 42.32 C ATOM 641 CD GLN A 46 7.055 -10.570 -7.309 1.00 75.32 C ATOM 642 OE1 GLN A 46 7.615 -9.775 -6.559 1.00 20.10 O ATOM 643 NE2 GLN A 46 7.497 -11.815 -7.387 1.00 71.14 N ATOM 0 H GLN A 46 3.845 -8.123 -7.796 1.00 52.41 H new ATOM 0 HA GLN A 46 6.596 -7.764 -7.324 1.00 72.54 H new ATOM 0 HB2 GLN A 46 4.991 -8.914 -9.617 1.00 73.35 H new ATOM 0 HB3 GLN A 46 6.742 -8.958 -9.565 1.00 73.35 H new ATOM 0 HG2 GLN A 46 4.968 -10.104 -7.383 1.00 42.32 H new ATOM 0 HG3 GLN A 46 5.542 -11.041 -8.747 1.00 42.32 H new ATOM 0 HE21 GLN A 46 7.037 -12.481 -8.008 1.00 71.14 H new ATOM 0 HE22 GLN A 46 8.297 -12.108 -6.827 1.00 71.14 H new ATOM 652 N SER A 47 5.343 -5.786 -9.649 1.00 41.52 N ATOM 653 CA SER A 47 5.644 -4.614 -10.463 1.00 41.31 C ATOM 654 C SER A 47 6.174 -3.449 -9.607 1.00 42.43 C ATOM 655 O SER A 47 6.977 -2.638 -10.089 1.00 73.11 O ATOM 656 CB SER A 47 4.389 -4.237 -11.248 1.00 33.44 C ATOM 657 OG SER A 47 3.991 -5.328 -12.057 1.00 72.21 O ATOM 0 H SER A 47 4.361 -6.060 -9.667 1.00 41.52 H new ATOM 0 HA SER A 47 6.444 -4.848 -11.165 1.00 41.31 H new ATOM 0 HB2 SER A 47 3.586 -3.967 -10.562 1.00 33.44 H new ATOM 0 HB3 SER A 47 4.585 -3.363 -11.869 1.00 33.44 H new ATOM 0 HG SER A 47 3.585 -6.021 -11.495 1.00 72.21 H new ATOM 663 N LEU A 48 5.768 -3.348 -8.335 1.00 33.44 N ATOM 664 CA LEU A 48 6.240 -2.290 -7.443 1.00 41.44 C ATOM 665 C LEU A 48 7.675 -2.593 -7.032 1.00 14.34 C ATOM 666 O LEU A 48 8.535 -1.712 -7.130 1.00 45.02 O ATOM 667 CB LEU A 48 5.362 -2.143 -6.187 1.00 44.31 C ATOM 668 CG LEU A 48 4.283 -1.067 -6.365 1.00 42.41 C ATOM 669 CD1 LEU A 48 3.188 -1.518 -7.326 1.00 65.40 C ATOM 670 CD2 LEU A 48 3.666 -0.697 -5.014 1.00 34.11 C ATOM 0 H LEU A 48 5.108 -3.994 -7.901 1.00 33.44 H new ATOM 0 HA LEU A 48 6.184 -1.346 -7.986 1.00 41.44 H new ATOM 0 HB2 LEU A 48 4.888 -3.098 -5.962 1.00 44.31 H new ATOM 0 HB3 LEU A 48 5.990 -1.889 -5.333 1.00 44.31 H new ATOM 0 HG LEU A 48 4.768 -0.190 -6.793 1.00 42.41 H new ATOM 0 HD11 LEU A 48 2.443 -0.728 -7.425 1.00 65.40 H new ATOM 0 HD12 LEU A 48 3.625 -1.729 -8.302 1.00 65.40 H new ATOM 0 HD13 LEU A 48 2.712 -2.419 -6.939 1.00 65.40 H new ATOM 0 HD21 LEU A 48 2.903 0.067 -5.160 1.00 34.11 H new ATOM 0 HD22 LEU A 48 3.213 -1.582 -4.566 1.00 34.11 H new ATOM 0 HD23 LEU A 48 4.442 -0.313 -4.352 1.00 34.11 H new ATOM 682 N VAL A 49 7.937 -3.822 -6.571 1.00 12.32 N ATOM 683 CA VAL A 49 9.271 -4.237 -6.145 1.00 33.40 C ATOM 684 C VAL A 49 10.254 -4.031 -7.299 1.00 41.43 C ATOM 685 O VAL A 49 11.325 -3.475 -7.067 1.00 11.44 O ATOM 686 CB VAL A 49 9.274 -5.689 -5.618 1.00 41.44 C ATOM 687 CG1 VAL A 49 10.647 -6.072 -5.047 1.00 12.52 C ATOM 688 CG2 VAL A 49 8.249 -5.896 -4.495 1.00 13.41 C ATOM 0 H VAL A 49 7.230 -4.552 -6.484 1.00 12.32 H new ATOM 0 HA VAL A 49 9.591 -3.617 -5.307 1.00 33.40 H new ATOM 0 HB VAL A 49 9.022 -6.314 -6.475 1.00 41.44 H new ATOM 0 HG11 VAL A 49 10.616 -7.099 -4.684 1.00 12.52 H new ATOM 0 HG12 VAL A 49 11.403 -5.985 -5.828 1.00 12.52 H new ATOM 0 HG13 VAL A 49 10.898 -5.404 -4.223 1.00 12.52 H new ATOM 0 HG21 VAL A 49 8.286 -6.931 -4.155 1.00 13.41 H new ATOM 0 HG22 VAL A 49 8.482 -5.232 -3.663 1.00 13.41 H new ATOM 0 HG23 VAL A 49 7.250 -5.672 -4.869 1.00 13.41 H new ATOM 698 N GLN A 50 9.872 -4.369 -8.537 1.00 34.14 N ATOM 699 CA GLN A 50 10.717 -4.214 -9.718 1.00 4.04 C ATOM 700 C GLN A 50 11.151 -2.757 -9.924 1.00 72.44 C ATOM 701 O GLN A 50 12.269 -2.512 -10.391 1.00 73.41 O ATOM 702 CB GLN A 50 10.045 -4.838 -10.943 1.00 52.21 C ATOM 703 CG GLN A 50 10.154 -6.366 -10.813 1.00 74.52 C ATOM 704 CD GLN A 50 9.323 -7.097 -11.847 1.00 31.22 C ATOM 705 OE1 GLN A 50 9.847 -7.599 -12.842 1.00 74.51 O ATOM 706 NE2 GLN A 50 8.029 -7.168 -11.609 1.00 0.52 N ATOM 0 H GLN A 50 8.954 -4.763 -8.745 1.00 34.14 H new ATOM 0 HA GLN A 50 11.644 -4.764 -9.559 1.00 4.04 H new ATOM 0 HB2 GLN A 50 9.000 -4.533 -11.002 1.00 52.21 H new ATOM 0 HB3 GLN A 50 10.528 -4.497 -11.859 1.00 52.21 H new ATOM 0 HG2 GLN A 50 11.198 -6.662 -10.915 1.00 74.52 H new ATOM 0 HG3 GLN A 50 9.833 -6.666 -9.815 1.00 74.52 H new ATOM 0 HE21 GLN A 50 7.640 -6.736 -10.771 1.00 0.52 H new ATOM 0 HE22 GLN A 50 7.416 -7.655 -12.263 1.00 0.52 H new ATOM 715 N SER A 51 10.305 -1.780 -9.584 1.00 22.41 N ATOM 716 CA SER A 51 10.673 -0.379 -9.718 1.00 31.34 C ATOM 717 C SER A 51 11.658 -0.069 -8.585 1.00 70.43 C ATOM 718 O SER A 51 12.768 0.400 -8.843 1.00 74.23 O ATOM 719 CB SER A 51 9.422 0.513 -9.694 1.00 12.34 C ATOM 720 OG SER A 51 9.715 1.870 -9.998 1.00 44.34 O ATOM 0 H SER A 51 9.367 -1.938 -9.216 1.00 22.41 H new ATOM 0 HA SER A 51 11.153 -0.175 -10.675 1.00 31.34 H new ATOM 0 HB2 SER A 51 8.695 0.132 -10.411 1.00 12.34 H new ATOM 0 HB3 SER A 51 8.958 0.457 -8.709 1.00 12.34 H new ATOM 0 HG SER A 51 8.896 2.325 -10.285 1.00 44.34 H new ATOM 726 N ILE A 52 11.283 -0.373 -7.336 1.00 71.33 N ATOM 727 CA ILE A 52 12.100 -0.130 -6.150 1.00 43.31 C ATOM 728 C ILE A 52 13.513 -0.692 -6.330 1.00 64.11 C ATOM 729 O ILE A 52 14.469 0.041 -6.078 1.00 42.03 O ATOM 730 CB ILE A 52 11.395 -0.666 -4.879 1.00 62.04 C ATOM 731 CG1 ILE A 52 10.104 0.139 -4.610 1.00 32.33 C ATOM 732 CG2 ILE A 52 12.318 -0.594 -3.646 1.00 42.43 C ATOM 733 CD1 ILE A 52 9.253 -0.453 -3.483 1.00 43.15 C ATOM 0 H ILE A 52 10.383 -0.804 -7.122 1.00 71.33 H new ATOM 0 HA ILE A 52 12.212 0.946 -6.016 1.00 43.31 H new ATOM 0 HB ILE A 52 11.145 -1.712 -5.055 1.00 62.04 H new ATOM 0 HG12 ILE A 52 10.369 1.166 -4.357 1.00 32.33 H new ATOM 0 HG13 ILE A 52 9.510 0.179 -5.523 1.00 32.33 H new ATOM 0 HG21 ILE A 52 11.790 -0.978 -2.773 1.00 42.43 H new ATOM 0 HG22 ILE A 52 13.210 -1.194 -3.824 1.00 42.43 H new ATOM 0 HG23 ILE A 52 12.607 0.442 -3.468 1.00 42.43 H new ATOM 0 HD11 ILE A 52 8.361 0.157 -3.342 1.00 43.15 H new ATOM 0 HD12 ILE A 52 8.960 -1.470 -3.744 1.00 43.15 H new ATOM 0 HD13 ILE A 52 9.832 -0.468 -2.559 1.00 43.15 H new ATOM 745 N GLN A 53 13.668 -1.952 -6.751 1.00 51.42 N ATOM 746 CA GLN A 53 14.980 -2.560 -6.937 1.00 30.32 C ATOM 747 C GLN A 53 15.791 -1.829 -8.007 1.00 71.22 C ATOM 748 O GLN A 53 16.969 -1.570 -7.792 1.00 22.14 O ATOM 749 CB GLN A 53 14.876 -4.072 -7.218 1.00 40.44 C ATOM 750 CG GLN A 53 14.242 -4.431 -8.563 1.00 35.21 C ATOM 751 CD GLN A 53 14.203 -5.932 -8.814 1.00 10.45 C ATOM 752 OE1 GLN A 53 13.156 -6.563 -8.746 1.00 32.52 O ATOM 753 NE2 GLN A 53 15.341 -6.512 -9.143 1.00 45.44 N ATOM 0 H GLN A 53 12.889 -2.572 -6.970 1.00 51.42 H new ATOM 0 HA GLN A 53 15.523 -2.453 -5.998 1.00 30.32 H new ATOM 0 HB2 GLN A 53 15.875 -4.505 -7.176 1.00 40.44 H new ATOM 0 HB3 GLN A 53 14.294 -4.536 -6.422 1.00 40.44 H new ATOM 0 HG2 GLN A 53 13.227 -4.035 -8.599 1.00 35.21 H new ATOM 0 HG3 GLN A 53 14.801 -3.948 -9.364 1.00 35.21 H new ATOM 0 HE21 GLN A 53 16.198 -5.962 -9.192 1.00 45.44 H new ATOM 0 HE22 GLN A 53 15.364 -7.511 -9.349 1.00 45.44 H new ATOM 762 N SER A 54 15.177 -1.455 -9.131 1.00 54.43 N ATOM 763 CA SER A 54 15.858 -0.761 -10.219 1.00 53.14 C ATOM 764 C SER A 54 16.412 0.590 -9.751 1.00 74.11 C ATOM 765 O SER A 54 17.457 1.035 -10.233 1.00 21.24 O ATOM 766 CB SER A 54 14.903 -0.647 -11.411 1.00 30.54 C ATOM 767 OG SER A 54 14.481 -1.951 -11.789 1.00 74.04 O ATOM 0 H SER A 54 14.188 -1.627 -9.310 1.00 54.43 H new ATOM 0 HA SER A 54 16.727 -1.333 -10.544 1.00 53.14 H new ATOM 0 HB2 SER A 54 14.041 -0.034 -11.147 1.00 30.54 H new ATOM 0 HB3 SER A 54 15.400 -0.155 -12.247 1.00 30.54 H new ATOM 0 HG SER A 54 13.841 -2.292 -11.129 1.00 74.04 H new ATOM 773 N LEU A 55 15.720 1.256 -8.823 1.00 32.41 N ATOM 774 CA LEU A 55 16.145 2.530 -8.256 1.00 32.23 C ATOM 775 C LEU A 55 17.260 2.252 -7.237 1.00 35.51 C ATOM 776 O LEU A 55 18.360 2.804 -7.326 1.00 61.32 O ATOM 777 CB LEU A 55 14.950 3.239 -7.591 1.00 52.11 C ATOM 778 CG LEU A 55 14.139 4.173 -8.509 1.00 22.41 C ATOM 779 CD1 LEU A 55 14.975 5.376 -8.944 1.00 15.45 C ATOM 780 CD2 LEU A 55 13.534 3.514 -9.747 1.00 64.52 C ATOM 0 H LEU A 55 14.837 0.917 -8.442 1.00 32.41 H new ATOM 0 HA LEU A 55 16.523 3.189 -9.038 1.00 32.23 H new ATOM 0 HB2 LEU A 55 14.278 2.481 -7.188 1.00 52.11 H new ATOM 0 HB3 LEU A 55 15.319 3.820 -6.745 1.00 52.11 H new ATOM 0 HG LEU A 55 13.298 4.484 -7.889 1.00 22.41 H new ATOM 0 HD11 LEU A 55 14.378 6.019 -9.591 1.00 15.45 H new ATOM 0 HD12 LEU A 55 15.289 5.938 -8.064 1.00 15.45 H new ATOM 0 HD13 LEU A 55 15.855 5.031 -9.487 1.00 15.45 H new ATOM 0 HD21 LEU A 55 12.985 4.258 -10.324 1.00 64.52 H new ATOM 0 HD22 LEU A 55 14.330 3.094 -10.362 1.00 64.52 H new ATOM 0 HD23 LEU A 55 12.855 2.719 -9.441 1.00 64.52 H new ATOM 792 N ALA A 56 16.991 1.346 -6.290 1.00 50.45 N ATOM 793 CA ALA A 56 17.900 0.932 -5.225 1.00 62.44 C ATOM 794 C ALA A 56 19.238 0.423 -5.773 1.00 20.33 C ATOM 795 O ALA A 56 20.272 0.618 -5.126 1.00 33.42 O ATOM 796 CB ALA A 56 17.224 -0.126 -4.355 1.00 45.32 C ATOM 0 H ALA A 56 16.094 0.863 -6.247 1.00 50.45 H new ATOM 0 HA ALA A 56 18.127 1.806 -4.615 1.00 62.44 H new ATOM 0 HB1 ALA A 56 17.905 -0.433 -3.561 1.00 45.32 H new ATOM 0 HB2 ALA A 56 16.317 0.290 -3.915 1.00 45.32 H new ATOM 0 HB3 ALA A 56 16.967 -0.990 -4.967 1.00 45.32 H new ATOM 802 N ALA A 57 19.244 -0.146 -6.984 1.00 3.04 N ATOM 803 CA ALA A 57 20.426 -0.673 -7.656 1.00 43.22 C ATOM 804 C ALA A 57 21.463 0.423 -7.914 1.00 23.45 C ATOM 805 O ALA A 57 22.610 0.111 -8.208 1.00 31.33 O ATOM 806 CB ALA A 57 20.021 -1.318 -8.983 1.00 45.11 C ATOM 0 H ALA A 57 18.394 -0.253 -7.538 1.00 3.04 H new ATOM 0 HA ALA A 57 20.878 -1.419 -7.002 1.00 43.22 H new ATOM 0 HB1 ALA A 57 20.907 -1.711 -9.482 1.00 45.11 H new ATOM 0 HB2 ALA A 57 19.321 -2.132 -8.793 1.00 45.11 H new ATOM 0 HB3 ALA A 57 19.546 -0.572 -9.620 1.00 45.11 H new ATOM 812 N GLN A 58 21.083 1.700 -7.843 1.00 41.13 N ATOM 813 CA GLN A 58 21.968 2.847 -8.032 1.00 21.25 C ATOM 814 C GLN A 58 22.092 3.656 -6.732 1.00 71.54 C ATOM 815 O GLN A 58 22.693 4.726 -6.729 1.00 12.43 O ATOM 816 CB GLN A 58 21.518 3.667 -9.249 1.00 53.13 C ATOM 817 CG GLN A 58 21.532 2.855 -10.560 1.00 5.53 C ATOM 818 CD GLN A 58 22.936 2.513 -11.068 1.00 31.42 C ATOM 819 OE1 GLN A 58 23.382 3.077 -12.063 1.00 71.41 O ATOM 820 NE2 GLN A 58 23.641 1.562 -10.481 1.00 24.22 N ATOM 0 H GLN A 58 20.120 1.971 -7.646 1.00 41.13 H new ATOM 0 HA GLN A 58 22.979 2.506 -8.258 1.00 21.25 H new ATOM 0 HB2 GLN A 58 20.511 4.046 -9.073 1.00 53.13 H new ATOM 0 HB3 GLN A 58 22.170 4.534 -9.358 1.00 53.13 H new ATOM 0 HG2 GLN A 58 20.977 1.929 -10.408 1.00 5.53 H new ATOM 0 HG3 GLN A 58 21.006 3.419 -11.330 1.00 5.53 H new ATOM 0 HE21 GLN A 58 23.273 1.091 -9.654 1.00 24.22 H new ATOM 0 HE22 GLN A 58 24.553 1.299 -10.855 1.00 24.22 H new ATOM 829 N GLY A 59 21.453 3.196 -5.651 1.00 13.12 N ATOM 830 CA GLY A 59 21.488 3.805 -4.332 1.00 13.03 C ATOM 831 C GLY A 59 20.726 5.113 -4.199 1.00 21.33 C ATOM 832 O GLY A 59 20.826 5.737 -3.143 1.00 1.34 O ATOM 0 H GLY A 59 20.876 2.355 -5.680 1.00 13.12 H new ATOM 0 HA2 GLY A 59 21.085 3.094 -3.611 1.00 13.03 H new ATOM 0 HA3 GLY A 59 22.528 3.981 -4.059 1.00 13.03 H new ATOM 836 N ARG A 60 19.973 5.557 -5.210 1.00 10.53 N ATOM 837 CA ARG A 60 19.251 6.821 -5.126 1.00 22.00 C ATOM 838 C ARG A 60 17.842 6.693 -5.662 1.00 21.21 C ATOM 839 O ARG A 60 17.641 6.105 -6.727 1.00 53.52 O ATOM 840 CB ARG A 60 19.990 7.895 -5.942 1.00 63.13 C ATOM 841 CG ARG A 60 21.452 8.129 -5.517 1.00 23.32 C ATOM 842 CD ARG A 60 22.019 9.400 -6.158 1.00 0.22 C ATOM 843 NE ARG A 60 21.294 10.600 -5.698 1.00 71.12 N ATOM 844 CZ ARG A 60 21.138 11.748 -6.367 1.00 62.35 C ATOM 845 NH1 ARG A 60 21.699 11.940 -7.556 1.00 61.45 N ATOM 846 NH2 ARG A 60 20.385 12.714 -5.868 1.00 32.34 N ATOM 0 H ARG A 60 19.851 5.059 -6.091 1.00 10.53 H new ATOM 0 HA ARG A 60 19.202 7.104 -4.074 1.00 22.00 H new ATOM 0 HB2 ARG A 60 19.972 7.610 -6.994 1.00 63.13 H new ATOM 0 HB3 ARG A 60 19.446 8.836 -5.857 1.00 63.13 H new ATOM 0 HG2 ARG A 60 21.509 8.209 -4.431 1.00 23.32 H new ATOM 0 HG3 ARG A 60 22.059 7.271 -5.806 1.00 23.32 H new ATOM 0 HD2 ARG A 60 23.076 9.494 -5.911 1.00 0.22 H new ATOM 0 HD3 ARG A 60 21.951 9.325 -7.243 1.00 0.22 H new ATOM 0 HE ARG A 60 20.867 10.549 -4.773 1.00 71.12 H new ATOM 0 HH11 ARG A 60 22.264 11.203 -7.979 1.00 61.45 H new ATOM 0 HH12 ARG A 60 21.565 12.824 -8.046 1.00 61.45 H new ATOM 0 HH21 ARG A 60 19.920 12.586 -4.969 1.00 32.34 H new ATOM 0 HH22 ARG A 60 20.269 13.587 -6.382 1.00 32.34 H new ATOM 860 N THR A 61 16.896 7.341 -4.995 1.00 32.24 N ATOM 861 CA THR A 61 15.496 7.369 -5.364 1.00 75.12 C ATOM 862 C THR A 61 15.040 8.810 -5.178 1.00 20.24 C ATOM 863 O THR A 61 14.964 9.291 -4.045 1.00 11.30 O ATOM 864 CB THR A 61 14.655 6.362 -4.556 1.00 61.20 C ATOM 865 OG1 THR A 61 15.283 5.095 -4.523 1.00 31.14 O ATOM 866 CG2 THR A 61 13.285 6.222 -5.228 1.00 61.51 C ATOM 0 H THR A 61 17.095 7.880 -4.152 1.00 32.24 H new ATOM 0 HA THR A 61 15.356 7.055 -6.398 1.00 75.12 H new ATOM 0 HB THR A 61 14.551 6.725 -3.534 1.00 61.20 H new ATOM 0 HG1 THR A 61 14.734 4.471 -4.004 1.00 31.14 H new ATOM 0 HG21 THR A 61 12.676 5.512 -4.668 1.00 61.51 H new ATOM 0 HG22 THR A 61 12.788 7.192 -5.246 1.00 61.51 H new ATOM 0 HG23 THR A 61 13.415 5.863 -6.249 1.00 61.51 H new ATOM 874 N SER A 62 14.792 9.515 -6.285 1.00 43.14 N ATOM 875 CA SER A 62 14.336 10.900 -6.259 1.00 10.03 C ATOM 876 C SER A 62 13.086 11.014 -5.360 1.00 63.34 C ATOM 877 O SER A 62 12.336 10.040 -5.243 1.00 34.31 O ATOM 878 CB SER A 62 14.085 11.354 -7.698 1.00 50.24 C ATOM 879 OG SER A 62 15.244 11.167 -8.495 1.00 34.22 O ATOM 0 H SER A 62 14.903 9.137 -7.226 1.00 43.14 H new ATOM 0 HA SER A 62 15.090 11.560 -5.830 1.00 10.03 H new ATOM 0 HB2 SER A 62 13.253 10.792 -8.121 1.00 50.24 H new ATOM 0 HB3 SER A 62 13.797 12.405 -7.707 1.00 50.24 H new ATOM 0 HG SER A 62 15.062 11.462 -9.412 1.00 34.22 H new ATOM 885 N PRO A 63 12.817 12.175 -4.742 1.00 45.12 N ATOM 886 CA PRO A 63 11.679 12.327 -3.849 1.00 34.24 C ATOM 887 C PRO A 63 10.350 12.182 -4.575 1.00 64.30 C ATOM 888 O PRO A 63 9.501 11.425 -4.115 1.00 5.44 O ATOM 889 CB PRO A 63 11.851 13.690 -3.177 1.00 75.54 C ATOM 890 CG PRO A 63 12.656 14.475 -4.207 1.00 74.22 C ATOM 891 CD PRO A 63 13.582 13.410 -4.796 1.00 33.13 C ATOM 0 HA PRO A 63 11.655 11.534 -3.102 1.00 34.24 H new ATOM 0 HB2 PRO A 63 10.891 14.162 -2.969 1.00 75.54 H new ATOM 0 HB3 PRO A 63 12.379 13.609 -2.227 1.00 75.54 H new ATOM 0 HG2 PRO A 63 12.015 14.919 -4.968 1.00 74.22 H new ATOM 0 HG3 PRO A 63 13.217 15.289 -3.747 1.00 74.22 H new ATOM 0 HD2 PRO A 63 13.864 13.655 -5.820 1.00 33.13 H new ATOM 0 HD3 PRO A 63 14.505 13.328 -4.222 1.00 33.13 H new ATOM 899 N ASN A 64 10.171 12.849 -5.721 1.00 51.42 N ATOM 900 CA ASN A 64 8.918 12.761 -6.467 1.00 34.10 C ATOM 901 C ASN A 64 8.671 11.307 -6.870 1.00 53.32 C ATOM 902 O ASN A 64 7.564 10.804 -6.711 1.00 74.44 O ATOM 903 CB ASN A 64 8.893 13.688 -7.689 1.00 11.23 C ATOM 904 CG ASN A 64 9.198 15.132 -7.325 1.00 65.15 C ATOM 905 OD1 ASN A 64 10.359 15.498 -7.141 1.00 13.22 O ATOM 906 ND2 ASN A 64 8.195 15.980 -7.219 1.00 71.11 N ATOM 0 H ASN A 64 10.875 13.451 -6.147 1.00 51.42 H new ATOM 0 HA ASN A 64 8.112 13.100 -5.816 1.00 34.10 H new ATOM 0 HB2 ASN A 64 9.621 13.339 -8.422 1.00 11.23 H new ATOM 0 HB3 ASN A 64 7.913 13.634 -8.163 1.00 11.23 H new ATOM 0 HD21 ASN A 64 8.375 16.956 -6.981 1.00 71.11 H new ATOM 0 HD22 ASN A 64 7.239 15.661 -7.375 1.00 71.11 H new ATOM 913 N LYS A 65 9.718 10.623 -7.348 1.00 65.41 N ATOM 914 CA LYS A 65 9.671 9.221 -7.756 1.00 0.21 C ATOM 915 C LYS A 65 9.220 8.345 -6.586 1.00 63.31 C ATOM 916 O LYS A 65 8.310 7.535 -6.742 1.00 33.21 O ATOM 917 CB LYS A 65 11.077 8.812 -8.246 1.00 34.35 C ATOM 918 CG LYS A 65 11.293 7.300 -8.442 1.00 53.31 C ATOM 919 CD LYS A 65 10.335 6.661 -9.454 1.00 62.30 C ATOM 920 CE LYS A 65 10.523 7.270 -10.847 1.00 1.34 C ATOM 921 NZ LYS A 65 9.465 6.824 -11.765 1.00 4.54 N ATOM 0 H LYS A 65 10.641 11.042 -7.463 1.00 65.41 H new ATOM 0 HA LYS A 65 8.951 9.085 -8.563 1.00 0.21 H new ATOM 0 HB2 LYS A 65 11.275 9.316 -9.192 1.00 34.35 H new ATOM 0 HB3 LYS A 65 11.813 9.177 -7.530 1.00 34.35 H new ATOM 0 HG2 LYS A 65 12.318 7.129 -8.769 1.00 53.31 H new ATOM 0 HG3 LYS A 65 11.178 6.799 -7.481 1.00 53.31 H new ATOM 0 HD2 LYS A 65 10.509 5.586 -9.497 1.00 62.30 H new ATOM 0 HD3 LYS A 65 9.305 6.804 -9.126 1.00 62.30 H new ATOM 0 HE2 LYS A 65 10.513 8.358 -10.776 1.00 1.34 H new ATOM 0 HE3 LYS A 65 11.497 6.985 -11.244 1.00 1.34 H new ATOM 0 HZ1 LYS A 65 9.615 7.251 -12.701 1.00 4.54 H new ATOM 0 HZ2 LYS A 65 9.492 5.788 -11.848 1.00 4.54 H new ATOM 0 HZ3 LYS A 65 8.538 7.118 -11.396 1.00 4.54 H new ATOM 935 N LEU A 66 9.863 8.493 -5.427 1.00 10.13 N ATOM 936 CA LEU A 66 9.552 7.722 -4.230 1.00 70.11 C ATOM 937 C LEU A 66 8.101 7.961 -3.817 1.00 22.43 C ATOM 938 O LEU A 66 7.359 7.005 -3.606 1.00 11.12 O ATOM 939 CB LEU A 66 10.551 8.100 -3.125 1.00 15.13 C ATOM 940 CG LEU A 66 10.490 7.200 -1.877 1.00 4.21 C ATOM 941 CD1 LEU A 66 10.921 5.759 -2.179 1.00 51.54 C ATOM 942 CD2 LEU A 66 11.454 7.754 -0.824 1.00 42.53 C ATOM 0 H LEU A 66 10.623 9.160 -5.295 1.00 10.13 H new ATOM 0 HA LEU A 66 9.651 6.654 -4.423 1.00 70.11 H new ATOM 0 HB2 LEU A 66 11.560 8.063 -3.536 1.00 15.13 H new ATOM 0 HB3 LEU A 66 10.368 9.131 -2.824 1.00 15.13 H new ATOM 0 HG LEU A 66 9.457 7.192 -1.529 1.00 4.21 H new ATOM 0 HD11 LEU A 66 10.861 5.163 -1.268 1.00 51.54 H new ATOM 0 HD12 LEU A 66 10.262 5.333 -2.935 1.00 51.54 H new ATOM 0 HD13 LEU A 66 11.947 5.756 -2.548 1.00 51.54 H new ATOM 0 HD21 LEU A 66 11.421 7.126 0.066 1.00 42.53 H new ATOM 0 HD22 LEU A 66 12.467 7.761 -1.226 1.00 42.53 H new ATOM 0 HD23 LEU A 66 11.161 8.771 -0.562 1.00 42.53 H new ATOM 954 N GLN A 67 7.691 9.229 -3.765 1.00 72.55 N ATOM 955 CA GLN A 67 6.348 9.644 -3.400 1.00 42.41 C ATOM 956 C GLN A 67 5.313 8.998 -4.328 1.00 72.00 C ATOM 957 O GLN A 67 4.301 8.469 -3.867 1.00 71.42 O ATOM 958 CB GLN A 67 6.284 11.179 -3.439 1.00 33.14 C ATOM 959 CG GLN A 67 5.087 11.743 -2.669 1.00 20.32 C ATOM 960 CD GLN A 67 4.977 13.251 -2.867 1.00 22.05 C ATOM 961 OE1 GLN A 67 4.066 13.749 -3.528 1.00 11.14 O ATOM 962 NE2 GLN A 67 5.907 14.019 -2.330 1.00 74.41 N ATOM 0 H GLN A 67 8.306 10.013 -3.983 1.00 72.55 H new ATOM 0 HA GLN A 67 6.110 9.310 -2.390 1.00 42.41 H new ATOM 0 HB2 GLN A 67 7.204 11.587 -3.021 1.00 33.14 H new ATOM 0 HB3 GLN A 67 6.231 11.510 -4.476 1.00 33.14 H new ATOM 0 HG2 GLN A 67 4.171 11.260 -3.008 1.00 20.32 H new ATOM 0 HG3 GLN A 67 5.193 11.518 -1.608 1.00 20.32 H new ATOM 0 HE21 GLN A 67 6.660 13.602 -1.783 1.00 74.41 H new ATOM 0 HE22 GLN A 67 5.873 15.030 -2.462 1.00 74.41 H new ATOM 971 N ALA A 68 5.570 9.012 -5.641 1.00 2.34 N ATOM 972 CA ALA A 68 4.680 8.444 -6.643 1.00 51.54 C ATOM 973 C ALA A 68 4.485 6.935 -6.471 1.00 65.12 C ATOM 974 O ALA A 68 3.469 6.410 -6.930 1.00 62.43 O ATOM 975 CB ALA A 68 5.196 8.776 -8.047 1.00 11.02 C ATOM 0 H ALA A 68 6.415 9.425 -6.036 1.00 2.34 H new ATOM 0 HA ALA A 68 3.698 8.897 -6.505 1.00 51.54 H new ATOM 0 HB1 ALA A 68 4.525 8.348 -8.792 1.00 11.02 H new ATOM 0 HB2 ALA A 68 5.236 9.858 -8.174 1.00 11.02 H new ATOM 0 HB3 ALA A 68 6.195 8.359 -8.176 1.00 11.02 H new ATOM 981 N LEU A 69 5.433 6.221 -5.852 1.00 2.31 N ATOM 982 CA LEU A 69 5.294 4.784 -5.628 1.00 31.33 C ATOM 983 C LEU A 69 4.339 4.543 -4.454 1.00 53.44 C ATOM 984 O LEU A 69 3.654 3.523 -4.448 1.00 4.32 O ATOM 985 CB LEU A 69 6.657 4.112 -5.381 1.00 21.23 C ATOM 986 CG LEU A 69 7.507 3.974 -6.661 1.00 34.10 C ATOM 987 CD1 LEU A 69 8.958 3.637 -6.298 1.00 11.42 C ATOM 988 CD2 LEU A 69 6.964 2.880 -7.593 1.00 22.53 C ATOM 0 H LEU A 69 6.303 6.619 -5.499 1.00 2.31 H new ATOM 0 HA LEU A 69 4.878 4.330 -6.528 1.00 31.33 H new ATOM 0 HB2 LEU A 69 7.213 4.692 -4.644 1.00 21.23 H new ATOM 0 HB3 LEU A 69 6.495 3.123 -4.952 1.00 21.23 H new ATOM 0 HG LEU A 69 7.459 4.930 -7.183 1.00 34.10 H new ATOM 0 HD11 LEU A 69 9.548 3.542 -7.209 1.00 11.42 H new ATOM 0 HD12 LEU A 69 9.372 4.432 -5.679 1.00 11.42 H new ATOM 0 HD13 LEU A 69 8.986 2.697 -5.748 1.00 11.42 H new ATOM 0 HD21 LEU A 69 7.591 2.815 -8.482 1.00 22.53 H new ATOM 0 HD22 LEU A 69 6.972 1.922 -7.073 1.00 22.53 H new ATOM 0 HD23 LEU A 69 5.943 3.125 -7.886 1.00 22.53 H new ATOM 1000 N ASN A 70 4.268 5.467 -3.483 1.00 62.45 N ATOM 1001 CA ASN A 70 3.375 5.340 -2.330 1.00 61.24 C ATOM 1002 C ASN A 70 1.939 5.398 -2.847 1.00 64.01 C ATOM 1003 O ASN A 70 1.155 4.467 -2.674 1.00 40.43 O ATOM 1004 CB ASN A 70 3.558 6.459 -1.280 1.00 72.01 C ATOM 1005 CG ASN A 70 4.973 6.772 -0.826 1.00 54.41 C ATOM 1006 OD1 ASN A 70 5.323 7.940 -0.672 1.00 60.21 O ATOM 1007 ND2 ASN A 70 5.810 5.786 -0.581 1.00 40.35 N ATOM 0 H ASN A 70 4.828 6.319 -3.479 1.00 62.45 H new ATOM 0 HA ASN A 70 3.610 4.398 -1.834 1.00 61.24 H new ATOM 0 HB2 ASN A 70 3.125 7.374 -1.685 1.00 72.01 H new ATOM 0 HB3 ASN A 70 2.974 6.192 -0.399 1.00 72.01 H new ATOM 0 HD21 ASN A 70 6.757 5.989 -0.261 1.00 40.35 H new ATOM 0 HD22 ASN A 70 5.512 4.819 -0.711 1.00 40.35 H new ATOM 1014 N MET A 71 1.616 6.499 -3.532 1.00 52.52 N ATOM 1015 CA MET A 71 0.301 6.754 -4.100 1.00 50.22 C ATOM 1016 C MET A 71 -0.113 5.689 -5.119 1.00 72.31 C ATOM 1017 O MET A 71 -1.313 5.454 -5.245 1.00 30.35 O ATOM 1018 CB MET A 71 0.223 8.184 -4.665 1.00 14.12 C ATOM 1019 CG MET A 71 1.200 8.427 -5.802 1.00 15.24 C ATOM 1020 SD MET A 71 1.261 10.119 -6.465 1.00 20.43 S ATOM 1021 CE MET A 71 2.099 10.958 -5.094 1.00 63.14 C ATOM 0 H MET A 71 2.282 7.252 -3.708 1.00 52.52 H new ATOM 0 HA MET A 71 -0.430 6.681 -3.295 1.00 50.22 H new ATOM 0 HB2 MET A 71 -0.791 8.375 -5.017 1.00 14.12 H new ATOM 0 HB3 MET A 71 0.421 8.896 -3.864 1.00 14.12 H new ATOM 0 HG2 MET A 71 2.199 8.158 -5.458 1.00 15.24 H new ATOM 0 HG3 MET A 71 0.951 7.749 -6.618 1.00 15.24 H new ATOM 0 HE1 MET A 71 1.471 11.768 -4.725 1.00 63.14 H new ATOM 0 HE2 MET A 71 2.283 10.246 -4.289 1.00 63.14 H new ATOM 0 HE3 MET A 71 3.048 11.365 -5.442 1.00 63.14 H new ATOM 1031 N ALA A 72 0.830 5.042 -5.823 1.00 74.33 N ATOM 1032 CA ALA A 72 0.536 4.005 -6.813 1.00 71.45 C ATOM 1033 C ALA A 72 -0.233 2.851 -6.181 1.00 42.21 C ATOM 1034 O ALA A 72 -1.286 2.466 -6.687 1.00 12.55 O ATOM 1035 CB ALA A 72 1.824 3.478 -7.450 1.00 20.31 C ATOM 0 H ALA A 72 1.827 5.230 -5.716 1.00 74.33 H new ATOM 0 HA ALA A 72 -0.082 4.457 -7.589 1.00 71.45 H new ATOM 0 HB1 ALA A 72 1.579 2.708 -8.182 1.00 20.31 H new ATOM 0 HB2 ALA A 72 2.347 4.297 -7.945 1.00 20.31 H new ATOM 0 HB3 ALA A 72 2.465 3.053 -6.677 1.00 20.31 H new ATOM 1041 N PHE A 73 0.294 2.321 -5.073 1.00 54.14 N ATOM 1042 CA PHE A 73 -0.314 1.218 -4.340 1.00 73.14 C ATOM 1043 C PHE A 73 -1.764 1.556 -4.012 1.00 3.53 C ATOM 1044 O PHE A 73 -2.675 0.785 -4.314 1.00 71.12 O ATOM 1045 CB PHE A 73 0.508 0.945 -3.075 1.00 40.21 C ATOM 1046 CG PHE A 73 -0.137 0.012 -2.070 1.00 13.20 C ATOM 1047 CD1 PHE A 73 -0.438 0.486 -0.778 1.00 12.23 C ATOM 1048 CD2 PHE A 73 -0.443 -1.319 -2.419 1.00 12.33 C ATOM 1049 CE1 PHE A 73 -1.019 -0.370 0.171 1.00 64.13 C ATOM 1050 CE2 PHE A 73 -1.009 -2.179 -1.459 1.00 41.13 C ATOM 1051 CZ PHE A 73 -1.293 -1.705 -0.165 1.00 64.43 C ATOM 0 H PHE A 73 1.165 2.653 -4.659 1.00 54.14 H new ATOM 0 HA PHE A 73 -0.317 0.313 -4.947 1.00 73.14 H new ATOM 0 HB2 PHE A 73 1.469 0.525 -3.370 1.00 40.21 H new ATOM 0 HB3 PHE A 73 0.713 1.896 -2.583 1.00 40.21 H new ATOM 0 HD1 PHE A 73 -0.221 1.511 -0.517 1.00 12.23 H new ATOM 0 HD2 PHE A 73 -0.244 -1.677 -3.418 1.00 12.33 H new ATOM 0 HE1 PHE A 73 -1.255 -0.002 1.158 1.00 64.13 H new ATOM 0 HE2 PHE A 73 -1.226 -3.205 -1.716 1.00 41.13 H new ATOM 0 HZ PHE A 73 -1.722 -2.369 0.571 1.00 64.43 H new ATOM 1061 N ALA A 74 -1.977 2.737 -3.427 1.00 64.44 N ATOM 1062 CA ALA A 74 -3.298 3.192 -3.053 1.00 53.31 C ATOM 1063 C ALA A 74 -4.209 3.375 -4.272 1.00 21.42 C ATOM 1064 O ALA A 74 -5.389 3.032 -4.190 1.00 12.25 O ATOM 1065 CB ALA A 74 -3.182 4.476 -2.239 1.00 34.42 C ATOM 0 H ALA A 74 -1.232 3.397 -3.204 1.00 64.44 H new ATOM 0 HA ALA A 74 -3.766 2.425 -2.436 1.00 53.31 H new ATOM 0 HB1 ALA A 74 -4.177 4.819 -1.957 1.00 34.42 H new ATOM 0 HB2 ALA A 74 -2.596 4.285 -1.340 1.00 34.42 H new ATOM 0 HB3 ALA A 74 -2.690 5.243 -2.837 1.00 34.42 H new ATOM 1071 N SER A 75 -3.718 3.925 -5.387 1.00 43.40 N ATOM 1072 CA SER A 75 -4.520 4.120 -6.595 1.00 35.14 C ATOM 1073 C SER A 75 -4.986 2.761 -7.105 1.00 4.13 C ATOM 1074 O SER A 75 -6.160 2.605 -7.434 1.00 71.33 O ATOM 1075 CB SER A 75 -3.735 4.887 -7.664 1.00 50.02 C ATOM 1076 OG SER A 75 -3.513 6.204 -7.200 1.00 0.23 O ATOM 0 H SER A 75 -2.754 4.247 -5.476 1.00 43.40 H new ATOM 0 HA SER A 75 -5.394 4.726 -6.356 1.00 35.14 H new ATOM 0 HB2 SER A 75 -2.785 4.391 -7.865 1.00 50.02 H new ATOM 0 HB3 SER A 75 -4.290 4.904 -8.602 1.00 50.02 H new ATOM 0 HG SER A 75 -4.298 6.757 -7.397 1.00 0.23 H new ATOM 1082 N SER A 76 -4.096 1.767 -7.137 1.00 2.41 N ATOM 1083 CA SER A 76 -4.422 0.423 -7.581 1.00 53.02 C ATOM 1084 C SER A 76 -5.500 -0.146 -6.642 1.00 23.31 C ATOM 1085 O SER A 76 -6.489 -0.724 -7.092 1.00 25.23 O ATOM 1086 CB SER A 76 -3.116 -0.379 -7.614 1.00 64.43 C ATOM 1087 OG SER A 76 -3.208 -1.563 -8.381 1.00 70.11 O ATOM 0 H SER A 76 -3.123 1.880 -6.852 1.00 2.41 H new ATOM 0 HA SER A 76 -4.844 0.387 -8.585 1.00 53.02 H new ATOM 0 HB2 SER A 76 -2.322 0.248 -8.020 1.00 64.43 H new ATOM 0 HB3 SER A 76 -2.829 -0.636 -6.594 1.00 64.43 H new ATOM 0 HG SER A 76 -2.332 -1.771 -8.768 1.00 70.11 H new ATOM 1093 N LEU A 77 -5.362 0.079 -5.330 1.00 65.42 N ATOM 1094 CA LEU A 77 -6.307 -0.374 -4.320 1.00 50.31 C ATOM 1095 C LEU A 77 -7.696 0.217 -4.587 1.00 54.20 C ATOM 1096 O LEU A 77 -8.665 -0.536 -4.571 1.00 65.03 O ATOM 1097 CB LEU A 77 -5.794 0.001 -2.914 1.00 12.03 C ATOM 1098 CG LEU A 77 -5.433 -1.202 -2.029 1.00 55.33 C ATOM 1099 CD1 LEU A 77 -4.332 -2.097 -2.592 1.00 42.11 C ATOM 1100 CD2 LEU A 77 -4.944 -0.704 -0.667 1.00 63.53 C ATOM 0 H LEU A 77 -4.572 0.592 -4.940 1.00 65.42 H new ATOM 0 HA LEU A 77 -6.394 -1.459 -4.370 1.00 50.31 H new ATOM 0 HB2 LEU A 77 -4.915 0.636 -3.019 1.00 12.03 H new ATOM 0 HB3 LEU A 77 -6.557 0.593 -2.408 1.00 12.03 H new ATOM 0 HG LEU A 77 -6.346 -1.794 -1.967 1.00 55.33 H new ATOM 0 HD11 LEU A 77 -4.143 -2.919 -1.902 1.00 42.11 H new ATOM 0 HD12 LEU A 77 -4.646 -2.497 -3.556 1.00 42.11 H new ATOM 0 HD13 LEU A 77 -3.420 -1.514 -2.720 1.00 42.11 H new ATOM 0 HD21 LEU A 77 -4.688 -1.557 -0.038 1.00 63.53 H new ATOM 0 HD22 LEU A 77 -4.063 -0.076 -0.804 1.00 63.53 H new ATOM 0 HD23 LEU A 77 -5.732 -0.124 -0.187 1.00 63.53 H new ATOM 1112 N ALA A 78 -7.821 1.533 -4.801 1.00 42.13 N ATOM 1113 CA ALA A 78 -9.099 2.199 -5.070 1.00 72.42 C ATOM 1114 C ALA A 78 -9.683 1.733 -6.406 1.00 3.31 C ATOM 1115 O ALA A 78 -10.881 1.481 -6.486 1.00 12.34 O ATOM 1116 CB ALA A 78 -8.912 3.721 -5.063 1.00 42.04 C ATOM 0 H ALA A 78 -7.026 2.172 -4.792 1.00 42.13 H new ATOM 0 HA ALA A 78 -9.803 1.930 -4.283 1.00 72.42 H new ATOM 0 HB1 ALA A 78 -9.867 4.206 -5.264 1.00 42.04 H new ATOM 0 HB2 ALA A 78 -8.542 4.038 -4.088 1.00 42.04 H new ATOM 0 HB3 ALA A 78 -8.193 4.003 -5.832 1.00 42.04 H new ATOM 1122 N GLU A 79 -8.860 1.595 -7.441 1.00 32.00 N ATOM 1123 CA GLU A 79 -9.277 1.163 -8.771 1.00 61.32 C ATOM 1124 C GLU A 79 -9.905 -0.235 -8.681 1.00 62.42 C ATOM 1125 O GLU A 79 -11.066 -0.420 -9.056 1.00 4.41 O ATOM 1126 CB GLU A 79 -8.042 1.250 -9.675 1.00 74.24 C ATOM 1127 CG GLU A 79 -8.289 1.069 -11.173 1.00 14.11 C ATOM 1128 CD GLU A 79 -6.966 1.316 -11.900 1.00 25.51 C ATOM 1129 OE1 GLU A 79 -6.177 0.359 -12.081 1.00 45.44 O ATOM 1130 OE2 GLU A 79 -6.616 2.490 -12.176 1.00 35.14 O ATOM 0 H GLU A 79 -7.860 1.785 -7.377 1.00 32.00 H new ATOM 0 HA GLU A 79 -10.052 1.796 -9.203 1.00 61.32 H new ATOM 0 HB2 GLU A 79 -7.571 2.221 -9.520 1.00 74.24 H new ATOM 0 HB3 GLU A 79 -7.327 0.494 -9.352 1.00 74.24 H new ATOM 0 HG2 GLU A 79 -8.657 0.064 -11.381 1.00 14.11 H new ATOM 0 HG3 GLU A 79 -9.052 1.766 -11.521 1.00 14.11 H new ATOM 1137 N ILE A 80 -9.192 -1.207 -8.098 1.00 13.41 N ATOM 1138 CA ILE A 80 -9.698 -2.571 -7.942 1.00 42.23 C ATOM 1139 C ILE A 80 -10.878 -2.560 -6.952 1.00 1.14 C ATOM 1140 O ILE A 80 -11.797 -3.373 -7.074 1.00 70.21 O ATOM 1141 CB ILE A 80 -8.549 -3.529 -7.537 1.00 2.41 C ATOM 1142 CG1 ILE A 80 -7.396 -3.570 -8.574 1.00 72.33 C ATOM 1143 CG2 ILE A 80 -9.055 -4.962 -7.296 1.00 35.23 C ATOM 1144 CD1 ILE A 80 -7.743 -4.193 -9.935 1.00 3.43 C ATOM 0 H ILE A 80 -8.253 -1.068 -7.724 1.00 13.41 H new ATOM 0 HA ILE A 80 -10.079 -2.953 -8.889 1.00 42.23 H new ATOM 0 HB ILE A 80 -8.155 -3.120 -6.606 1.00 2.41 H new ATOM 0 HG12 ILE A 80 -7.046 -2.551 -8.741 1.00 72.33 H new ATOM 0 HG13 ILE A 80 -6.564 -4.126 -8.142 1.00 72.33 H new ATOM 0 HG21 ILE A 80 -8.218 -5.601 -7.014 1.00 35.23 H new ATOM 0 HG22 ILE A 80 -9.794 -4.957 -6.494 1.00 35.23 H new ATOM 0 HG23 ILE A 80 -9.512 -5.345 -8.208 1.00 35.23 H new ATOM 0 HD11 ILE A 80 -6.865 -4.169 -10.580 1.00 3.43 H new ATOM 0 HD12 ILE A 80 -8.061 -5.226 -9.792 1.00 3.43 H new ATOM 0 HD13 ILE A 80 -8.550 -3.626 -10.399 1.00 3.43 H new ATOM 1156 N ALA A 81 -10.895 -1.652 -5.966 1.00 2.54 N ATOM 1157 CA ALA A 81 -11.995 -1.563 -5.008 1.00 53.21 C ATOM 1158 C ALA A 81 -13.271 -1.125 -5.721 1.00 64.00 C ATOM 1159 O ALA A 81 -14.358 -1.538 -5.325 1.00 74.42 O ATOM 1160 CB ALA A 81 -11.686 -0.590 -3.861 1.00 40.23 C ATOM 0 H ALA A 81 -10.154 -0.968 -5.815 1.00 2.54 H new ATOM 0 HA ALA A 81 -12.131 -2.554 -4.575 1.00 53.21 H new ATOM 0 HB1 ALA A 81 -12.532 -0.557 -3.174 1.00 40.23 H new ATOM 0 HB2 ALA A 81 -10.798 -0.928 -3.327 1.00 40.23 H new ATOM 0 HB3 ALA A 81 -11.509 0.406 -4.267 1.00 40.23 H new ATOM 1166 N ALA A 82 -13.138 -0.283 -6.745 1.00 2.42 N ATOM 1167 CA ALA A 82 -14.236 0.214 -7.547 1.00 63.01 C ATOM 1168 C ALA A 82 -14.603 -0.801 -8.639 1.00 73.04 C ATOM 1169 O ALA A 82 -15.427 -0.481 -9.493 1.00 74.41 O ATOM 1170 CB ALA A 82 -13.851 1.567 -8.154 1.00 41.44 C ATOM 0 H ALA A 82 -12.232 0.078 -7.042 1.00 2.42 H new ATOM 0 HA ALA A 82 -15.114 0.352 -6.916 1.00 63.01 H new ATOM 0 HB1 ALA A 82 -14.677 1.943 -8.758 1.00 41.44 H new ATOM 0 HB2 ALA A 82 -13.634 2.276 -7.355 1.00 41.44 H new ATOM 0 HB3 ALA A 82 -12.968 1.446 -8.781 1.00 41.44 H new ATOM 1176 N SER A 83 -13.949 -1.965 -8.728 1.00 53.24 N ATOM 1177 CA SER A 83 -14.287 -2.969 -9.733 1.00 43.05 C ATOM 1178 C SER A 83 -15.679 -3.511 -9.381 1.00 73.22 C ATOM 1179 O SER A 83 -16.144 -3.345 -8.245 1.00 11.44 O ATOM 1180 CB SER A 83 -13.215 -4.068 -9.737 1.00 44.04 C ATOM 1181 OG SER A 83 -13.332 -4.923 -10.856 1.00 3.54 O ATOM 0 H SER A 83 -13.181 -2.232 -8.112 1.00 53.24 H new ATOM 0 HA SER A 83 -14.312 -2.550 -10.739 1.00 43.05 H new ATOM 0 HB2 SER A 83 -12.226 -3.609 -9.734 1.00 44.04 H new ATOM 0 HB3 SER A 83 -13.296 -4.656 -8.823 1.00 44.04 H new ATOM 0 HG SER A 83 -12.630 -5.606 -10.820 1.00 3.54 H new ATOM 1187 N GLU A 84 -16.380 -4.117 -10.342 1.00 11.24 N ATOM 1188 CA GLU A 84 -17.702 -4.661 -10.058 1.00 25.35 C ATOM 1189 C GLU A 84 -17.530 -5.855 -9.111 1.00 44.02 C ATOM 1190 O GLU A 84 -18.275 -5.987 -8.139 1.00 71.32 O ATOM 1191 CB GLU A 84 -18.430 -5.039 -11.355 1.00 11.32 C ATOM 1192 CG GLU A 84 -19.869 -5.533 -11.118 1.00 23.33 C ATOM 1193 CD GLU A 84 -20.826 -4.427 -10.656 1.00 5.05 C ATOM 1194 OE1 GLU A 84 -20.747 -3.963 -9.494 1.00 31.24 O ATOM 1195 OE2 GLU A 84 -21.695 -4.007 -11.447 1.00 32.51 O ATOM 0 H GLU A 84 -16.060 -4.240 -11.303 1.00 11.24 H new ATOM 0 HA GLU A 84 -18.328 -3.912 -9.573 1.00 25.35 H new ATOM 0 HB2 GLU A 84 -18.454 -4.173 -12.017 1.00 11.32 H new ATOM 0 HB3 GLU A 84 -17.865 -5.817 -11.868 1.00 11.32 H new ATOM 0 HG2 GLU A 84 -20.251 -5.972 -12.040 1.00 23.33 H new ATOM 0 HG3 GLU A 84 -19.854 -6.326 -10.370 1.00 23.33 H new ATOM 1202 N GLU A 85 -16.521 -6.694 -9.359 1.00 53.44 N ATOM 1203 CA GLU A 85 -16.222 -7.863 -8.554 1.00 2.31 C ATOM 1204 C GLU A 85 -15.546 -7.437 -7.238 1.00 65.32 C ATOM 1205 O GLU A 85 -14.321 -7.464 -7.077 1.00 62.43 O ATOM 1206 CB GLU A 85 -15.426 -8.861 -9.404 1.00 14.10 C ATOM 1207 CG GLU A 85 -15.181 -10.186 -8.675 1.00 71.34 C ATOM 1208 CD GLU A 85 -14.640 -11.318 -9.553 1.00 41.33 C ATOM 1209 OE1 GLU A 85 -14.692 -11.247 -10.803 1.00 42.23 O ATOM 1210 OE2 GLU A 85 -14.201 -12.327 -8.960 1.00 43.44 O ATOM 0 H GLU A 85 -15.881 -6.570 -10.143 1.00 53.44 H new ATOM 0 HA GLU A 85 -17.129 -8.384 -8.247 1.00 2.31 H new ATOM 0 HB2 GLU A 85 -15.965 -9.054 -10.332 1.00 14.10 H new ATOM 0 HB3 GLU A 85 -14.469 -8.418 -9.678 1.00 14.10 H new ATOM 0 HG2 GLU A 85 -14.478 -10.011 -7.861 1.00 71.34 H new ATOM 0 HG3 GLU A 85 -16.117 -10.513 -8.223 1.00 71.34 H new ATOM 1217 N GLY A 86 -16.377 -7.011 -6.292 1.00 51.15 N ATOM 1218 CA GLY A 86 -16.050 -6.566 -4.949 1.00 71.02 C ATOM 1219 C GLY A 86 -16.894 -7.405 -4.000 1.00 41.23 C ATOM 1220 O GLY A 86 -16.978 -8.624 -4.163 1.00 72.04 O ATOM 0 H GLY A 86 -17.381 -6.966 -6.464 1.00 51.15 H new ATOM 0 HA2 GLY A 86 -14.988 -6.698 -4.744 1.00 71.02 H new ATOM 0 HA3 GLY A 86 -16.268 -5.505 -4.828 1.00 71.02 H new ATOM 1224 N GLY A 87 -17.525 -6.788 -3.011 1.00 61.44 N ATOM 1225 CA GLY A 87 -18.365 -7.508 -2.071 1.00 13.22 C ATOM 1226 C GLY A 87 -19.078 -6.499 -1.198 1.00 0.32 C ATOM 1227 O GLY A 87 -20.110 -5.957 -1.596 1.00 62.50 O ATOM 0 H GLY A 87 -17.469 -5.784 -2.840 1.00 61.44 H new ATOM 0 HA2 GLY A 87 -19.088 -8.126 -2.604 1.00 13.22 H new ATOM 0 HA3 GLY A 87 -17.761 -8.179 -1.460 1.00 13.22 H new ATOM 1231 N GLY A 88 -18.512 -6.215 -0.030 1.00 0.35 N ATOM 1232 CA GLY A 88 -19.053 -5.261 0.919 1.00 31.24 C ATOM 1233 C GLY A 88 -18.907 -3.840 0.385 1.00 55.41 C ATOM 1234 O GLY A 88 -18.427 -3.619 -0.732 1.00 31.35 O ATOM 0 H GLY A 88 -17.647 -6.653 0.286 1.00 0.35 H new ATOM 0 HA2 GLY A 88 -20.104 -5.480 1.106 1.00 31.24 H new ATOM 0 HA3 GLY A 88 -18.534 -5.353 1.873 1.00 31.24 H new ATOM 1238 N SER A 89 -19.308 -2.861 1.191 1.00 24.31 N ATOM 1239 CA SER A 89 -19.240 -1.456 0.826 1.00 2.44 C ATOM 1240 C SER A 89 -17.809 -1.073 0.434 1.00 40.31 C ATOM 1241 O SER A 89 -16.840 -1.577 1.013 1.00 53.52 O ATOM 1242 CB SER A 89 -19.740 -0.610 2.003 1.00 33.42 C ATOM 1243 OG SER A 89 -20.808 -1.252 2.682 1.00 73.45 O ATOM 0 H SER A 89 -19.691 -3.025 2.122 1.00 24.31 H new ATOM 0 HA SER A 89 -19.876 -1.269 -0.039 1.00 2.44 H new ATOM 0 HB2 SER A 89 -18.920 -0.430 2.698 1.00 33.42 H new ATOM 0 HB3 SER A 89 -20.070 0.363 1.640 1.00 33.42 H new ATOM 0 HG SER A 89 -21.105 -0.691 3.428 1.00 73.45 H new ATOM 1249 N LEU A 90 -17.664 -0.175 -0.541 1.00 30.14 N ATOM 1250 CA LEU A 90 -16.366 0.303 -1.006 1.00 43.12 C ATOM 1251 C LEU A 90 -15.650 0.936 0.199 1.00 73.33 C ATOM 1252 O LEU A 90 -14.444 0.788 0.358 1.00 71.22 O ATOM 1253 CB LEU A 90 -16.577 1.242 -2.208 1.00 74.02 C ATOM 1254 CG LEU A 90 -15.406 1.291 -3.211 1.00 15.41 C ATOM 1255 CD1 LEU A 90 -15.897 1.949 -4.506 1.00 63.13 C ATOM 1256 CD2 LEU A 90 -14.215 2.094 -2.699 1.00 72.22 C ATOM 0 H LEU A 90 -18.453 0.244 -1.033 1.00 30.14 H new ATOM 0 HA LEU A 90 -15.721 -0.494 -1.376 1.00 43.12 H new ATOM 0 HB2 LEU A 90 -17.477 0.932 -2.739 1.00 74.02 H new ATOM 0 HB3 LEU A 90 -16.758 2.250 -1.835 1.00 74.02 H new ATOM 0 HG LEU A 90 -15.075 0.265 -3.368 1.00 15.41 H new ATOM 0 HD11 LEU A 90 -15.079 1.991 -5.226 1.00 63.13 H new ATOM 0 HD12 LEU A 90 -16.717 1.365 -4.923 1.00 63.13 H new ATOM 0 HD13 LEU A 90 -16.244 2.960 -4.292 1.00 63.13 H new ATOM 0 HD21 LEU A 90 -13.424 2.091 -3.449 1.00 72.22 H new ATOM 0 HD22 LEU A 90 -14.525 3.120 -2.503 1.00 72.22 H new ATOM 0 HD23 LEU A 90 -13.843 1.645 -1.778 1.00 72.22 H new ATOM 1268 N SER A 91 -16.396 1.576 1.103 1.00 72.40 N ATOM 1269 CA SER A 91 -15.887 2.185 2.327 1.00 24.23 C ATOM 1270 C SER A 91 -15.327 1.065 3.224 1.00 73.11 C ATOM 1271 O SER A 91 -14.183 1.123 3.669 1.00 61.54 O ATOM 1272 CB SER A 91 -17.031 2.954 3.000 1.00 64.41 C ATOM 1273 OG SER A 91 -18.245 2.220 2.914 1.00 30.22 O ATOM 0 H SER A 91 -17.404 1.686 0.996 1.00 72.40 H new ATOM 0 HA SER A 91 -15.083 2.893 2.127 1.00 24.23 H new ATOM 0 HB2 SER A 91 -16.786 3.140 4.046 1.00 64.41 H new ATOM 0 HB3 SER A 91 -17.153 3.926 2.523 1.00 64.41 H new ATOM 0 HG SER A 91 -18.964 2.724 3.350 1.00 30.22 H new ATOM 1279 N THR A 92 -16.106 -0.001 3.450 1.00 41.55 N ATOM 1280 CA THR A 92 -15.710 -1.158 4.250 1.00 1.03 C ATOM 1281 C THR A 92 -14.405 -1.752 3.705 1.00 32.34 C ATOM 1282 O THR A 92 -13.552 -2.178 4.487 1.00 32.12 O ATOM 1283 CB THR A 92 -16.881 -2.164 4.289 1.00 4.03 C ATOM 1284 OG1 THR A 92 -17.869 -1.651 5.166 1.00 71.31 O ATOM 1285 CG2 THR A 92 -16.515 -3.584 4.736 1.00 23.53 C ATOM 0 H THR A 92 -17.050 -0.081 3.071 1.00 41.55 H new ATOM 0 HA THR A 92 -15.501 -0.868 5.280 1.00 1.03 H new ATOM 0 HB THR A 92 -17.229 -2.265 3.261 1.00 4.03 H new ATOM 0 HG1 THR A 92 -18.625 -2.273 5.206 1.00 71.31 H new ATOM 0 HG21 THR A 92 -17.408 -4.209 4.728 1.00 23.53 H new ATOM 0 HG22 THR A 92 -15.774 -4.001 4.054 1.00 23.53 H new ATOM 0 HG23 THR A 92 -16.102 -3.553 5.744 1.00 23.53 H new ATOM 1293 N LYS A 93 -14.205 -1.751 2.382 1.00 43.52 N ATOM 1294 CA LYS A 93 -12.993 -2.271 1.762 1.00 73.14 C ATOM 1295 C LYS A 93 -11.782 -1.546 2.355 1.00 73.22 C ATOM 1296 O LYS A 93 -10.888 -2.199 2.898 1.00 63.45 O ATOM 1297 CB LYS A 93 -13.107 -2.082 0.241 1.00 44.24 C ATOM 1298 CG LYS A 93 -12.037 -2.842 -0.555 1.00 12.33 C ATOM 1299 CD LYS A 93 -12.514 -3.235 -1.967 1.00 24.53 C ATOM 1300 CE LYS A 93 -12.890 -4.702 -2.185 1.00 50.42 C ATOM 1301 NZ LYS A 93 -14.130 -5.147 -1.517 1.00 62.13 N ATOM 0 H LYS A 93 -14.885 -1.387 1.714 1.00 43.52 H new ATOM 0 HA LYS A 93 -12.865 -3.335 1.959 1.00 73.14 H new ATOM 0 HB2 LYS A 93 -14.093 -2.413 -0.085 1.00 44.24 H new ATOM 0 HB3 LYS A 93 -13.034 -1.019 0.009 1.00 44.24 H new ATOM 0 HG2 LYS A 93 -11.143 -2.224 -0.637 1.00 12.33 H new ATOM 0 HG3 LYS A 93 -11.753 -3.741 -0.008 1.00 12.33 H new ATOM 0 HD2 LYS A 93 -13.380 -2.622 -2.216 1.00 24.53 H new ATOM 0 HD3 LYS A 93 -11.727 -2.977 -2.675 1.00 24.53 H new ATOM 0 HE2 LYS A 93 -12.992 -4.877 -3.256 1.00 50.42 H new ATOM 0 HE3 LYS A 93 -12.067 -5.326 -1.837 1.00 50.42 H new ATOM 0 HZ1 LYS A 93 -14.632 -5.820 -2.130 1.00 62.13 H new ATOM 0 HZ2 LYS A 93 -13.892 -5.610 -0.617 1.00 62.13 H new ATOM 0 HZ3 LYS A 93 -14.740 -4.325 -1.333 1.00 62.13 H new ATOM 1315 N THR A 94 -11.763 -0.213 2.300 1.00 44.35 N ATOM 1316 CA THR A 94 -10.672 0.599 2.833 1.00 40.13 C ATOM 1317 C THR A 94 -10.574 0.461 4.358 1.00 15.04 C ATOM 1318 O THR A 94 -9.476 0.200 4.858 1.00 63.35 O ATOM 1319 CB THR A 94 -10.679 2.014 2.222 1.00 13.41 C ATOM 1320 OG1 THR A 94 -9.697 2.830 2.811 1.00 41.45 O ATOM 1321 CG2 THR A 94 -12.034 2.709 2.180 1.00 43.34 C ATOM 0 H THR A 94 -12.513 0.337 1.880 1.00 44.35 H new ATOM 0 HA THR A 94 -9.705 0.216 2.506 1.00 40.13 H new ATOM 0 HB THR A 94 -10.431 1.856 1.173 1.00 13.41 H new ATOM 0 HG1 THR A 94 -9.724 3.721 2.403 1.00 41.45 H new ATOM 0 HG21 THR A 94 -11.923 3.696 1.732 1.00 43.34 H new ATOM 0 HG22 THR A 94 -12.729 2.116 1.585 1.00 43.34 H new ATOM 0 HG23 THR A 94 -12.421 2.812 3.194 1.00 43.34 H new ATOM 1329 N SER A 95 -11.685 0.476 5.108 1.00 65.12 N ATOM 1330 CA SER A 95 -11.618 0.314 6.563 1.00 73.33 C ATOM 1331 C SER A 95 -11.017 -1.050 6.958 1.00 52.20 C ATOM 1332 O SER A 95 -10.520 -1.205 8.074 1.00 52.14 O ATOM 1333 CB SER A 95 -13.002 0.526 7.184 1.00 40.14 C ATOM 1334 OG SER A 95 -13.461 1.832 6.872 1.00 33.23 O ATOM 0 H SER A 95 -12.627 0.597 4.736 1.00 65.12 H new ATOM 0 HA SER A 95 -10.947 1.076 6.960 1.00 73.33 H new ATOM 0 HB2 SER A 95 -13.702 -0.218 6.804 1.00 40.14 H new ATOM 0 HB3 SER A 95 -12.952 0.394 8.265 1.00 40.14 H new ATOM 0 HG SER A 95 -14.347 1.970 7.267 1.00 33.23 H new ATOM 1340 N SER A 96 -11.054 -2.051 6.071 1.00 52.55 N ATOM 1341 CA SER A 96 -10.486 -3.369 6.325 1.00 12.15 C ATOM 1342 C SER A 96 -8.983 -3.347 6.008 1.00 65.41 C ATOM 1343 O SER A 96 -8.195 -3.943 6.741 1.00 41.42 O ATOM 1344 CB SER A 96 -11.213 -4.412 5.485 1.00 72.43 C ATOM 1345 OG SER A 96 -12.611 -4.332 5.683 1.00 51.31 O ATOM 0 H SER A 96 -11.484 -1.963 5.150 1.00 52.55 H new ATOM 0 HA SER A 96 -10.612 -3.633 7.375 1.00 12.15 H new ATOM 0 HB2 SER A 96 -10.982 -4.262 4.431 1.00 72.43 H new ATOM 0 HB3 SER A 96 -10.860 -5.409 5.750 1.00 72.43 H new ATOM 0 HG SER A 96 -12.975 -3.596 5.149 1.00 51.31 H new ATOM 1351 N ILE A 97 -8.565 -2.651 4.941 1.00 35.50 N ATOM 1352 CA ILE A 97 -7.170 -2.513 4.526 1.00 74.42 C ATOM 1353 C ILE A 97 -6.356 -1.941 5.682 1.00 63.25 C ATOM 1354 O ILE A 97 -5.306 -2.505 5.965 1.00 70.23 O ATOM 1355 CB ILE A 97 -7.064 -1.605 3.288 1.00 45.12 C ATOM 1356 CG1 ILE A 97 -7.691 -2.300 2.073 1.00 63.04 C ATOM 1357 CG2 ILE A 97 -5.625 -1.209 2.924 1.00 32.15 C ATOM 1358 CD1 ILE A 97 -8.147 -1.289 1.008 1.00 51.24 C ATOM 0 H ILE A 97 -9.211 -2.155 4.327 1.00 35.50 H new ATOM 0 HA ILE A 97 -6.774 -3.493 4.259 1.00 74.42 H new ATOM 0 HB ILE A 97 -7.598 -0.691 3.549 1.00 45.12 H new ATOM 0 HG12 ILE A 97 -6.968 -2.988 1.635 1.00 63.04 H new ATOM 0 HG13 ILE A 97 -8.544 -2.897 2.396 1.00 63.04 H new ATOM 0 HG21 ILE A 97 -5.636 -0.570 2.041 1.00 32.15 H new ATOM 0 HG22 ILE A 97 -5.174 -0.670 3.757 1.00 32.15 H new ATOM 0 HG23 ILE A 97 -5.043 -2.106 2.715 1.00 32.15 H new ATOM 0 HD11 ILE A 97 -8.585 -1.822 0.164 1.00 51.24 H new ATOM 0 HD12 ILE A 97 -8.890 -0.617 1.438 1.00 51.24 H new ATOM 0 HD13 ILE A 97 -7.290 -0.710 0.665 1.00 51.24 H new ATOM 1370 N ALA A 98 -6.811 -0.878 6.365 1.00 41.41 N ATOM 1371 CA ALA A 98 -6.055 -0.309 7.488 1.00 23.24 C ATOM 1372 C ALA A 98 -5.775 -1.380 8.543 1.00 65.04 C ATOM 1373 O ALA A 98 -4.684 -1.422 9.112 1.00 71.13 O ATOM 1374 CB ALA A 98 -6.794 0.862 8.143 1.00 72.24 C ATOM 0 H ALA A 98 -7.689 -0.401 6.161 1.00 41.41 H new ATOM 0 HA ALA A 98 -5.115 0.064 7.081 1.00 23.24 H new ATOM 0 HB1 ALA A 98 -6.199 1.252 8.969 1.00 72.24 H new ATOM 0 HB2 ALA A 98 -6.953 1.650 7.406 1.00 72.24 H new ATOM 0 HB3 ALA A 98 -7.757 0.519 8.521 1.00 72.24 H new ATOM 1380 N SER A 99 -6.757 -2.246 8.794 1.00 63.51 N ATOM 1381 CA SER A 99 -6.616 -3.320 9.765 1.00 44.42 C ATOM 1382 C SER A 99 -5.615 -4.367 9.269 1.00 63.24 C ATOM 1383 O SER A 99 -4.926 -4.975 10.090 1.00 41.12 O ATOM 1384 CB SER A 99 -7.980 -3.924 10.090 1.00 63.33 C ATOM 1385 OG SER A 99 -8.827 -2.959 10.683 1.00 10.04 O ATOM 0 H SER A 99 -7.665 -2.220 8.331 1.00 63.51 H new ATOM 0 HA SER A 99 -6.215 -2.913 10.693 1.00 44.42 H new ATOM 0 HB2 SER A 99 -8.440 -4.307 9.179 1.00 63.33 H new ATOM 0 HB3 SER A 99 -7.857 -4.771 10.765 1.00 63.33 H new ATOM 0 HG SER A 99 -9.696 -3.365 10.882 1.00 10.04 H new ATOM 1391 N ALA A 100 -5.528 -4.625 7.958 1.00 20.21 N ATOM 1392 CA ALA A 100 -4.557 -5.591 7.457 1.00 51.13 C ATOM 1393 C ALA A 100 -3.159 -4.954 7.495 1.00 64.22 C ATOM 1394 O ALA A 100 -2.193 -5.592 7.902 1.00 75.25 O ATOM 1395 CB ALA A 100 -4.943 -6.022 6.042 1.00 41.31 C ATOM 0 H ALA A 100 -6.107 -4.186 7.242 1.00 20.21 H new ATOM 0 HA ALA A 100 -4.547 -6.483 8.083 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -4.216 -6.744 5.670 1.00 41.31 H new ATOM 0 HB2 ALA A 100 -5.932 -6.479 6.058 1.00 41.31 H new ATOM 0 HB3 ALA A 100 -4.957 -5.151 5.387 1.00 41.31 H new ATOM 1401 N LEU A 101 -3.055 -3.682 7.097 1.00 14.22 N ATOM 1402 CA LEU A 101 -1.826 -2.906 7.053 1.00 25.31 C ATOM 1403 C LEU A 101 -1.178 -2.847 8.416 1.00 44.25 C ATOM 1404 O LEU A 101 0.012 -3.119 8.507 1.00 43.11 O ATOM 1405 CB LEU A 101 -2.088 -1.464 6.592 1.00 74.33 C ATOM 1406 CG LEU A 101 -2.289 -1.323 5.082 1.00 74.25 C ATOM 1407 CD1 LEU A 101 -2.812 0.083 4.761 1.00 23.43 C ATOM 1408 CD2 LEU A 101 -0.999 -1.529 4.298 1.00 32.11 C ATOM 0 H LEU A 101 -3.865 -3.148 6.784 1.00 14.22 H new ATOM 0 HA LEU A 101 -1.167 -3.405 6.342 1.00 25.31 H new ATOM 0 HB2 LEU A 101 -2.973 -1.084 7.103 1.00 74.33 H new ATOM 0 HB3 LEU A 101 -1.250 -0.837 6.897 1.00 74.33 H new ATOM 0 HG LEU A 101 -3.001 -2.094 4.788 1.00 74.25 H new ATOM 0 HD11 LEU A 101 -2.954 0.181 3.685 1.00 23.43 H new ATOM 0 HD12 LEU A 101 -3.763 0.242 5.269 1.00 23.43 H new ATOM 0 HD13 LEU A 101 -2.090 0.826 5.101 1.00 23.43 H new ATOM 0 HD21 LEU A 101 -1.199 -1.418 3.232 1.00 32.11 H new ATOM 0 HD22 LEU A 101 -0.262 -0.788 4.608 1.00 32.11 H new ATOM 0 HD23 LEU A 101 -0.611 -2.529 4.492 1.00 32.11 H new ATOM 1420 N SER A 102 -1.922 -2.480 9.459 1.00 33.04 N ATOM 1421 CA SER A 102 -1.376 -2.381 10.802 1.00 12.51 C ATOM 1422 C SER A 102 -0.650 -3.670 11.191 1.00 50.43 C ATOM 1423 O SER A 102 0.488 -3.603 11.653 1.00 31.22 O ATOM 1424 CB SER A 102 -2.486 -1.955 11.769 1.00 2.22 C ATOM 1425 OG SER A 102 -3.639 -2.768 11.652 1.00 43.15 O ATOM 0 H SER A 102 -2.912 -2.246 9.393 1.00 33.04 H new ATOM 0 HA SER A 102 -0.611 -1.606 10.850 1.00 12.51 H new ATOM 0 HB2 SER A 102 -2.112 -2.003 12.792 1.00 2.22 H new ATOM 0 HB3 SER A 102 -2.755 -0.916 11.576 1.00 2.22 H new ATOM 0 HG SER A 102 -4.168 -2.476 10.881 1.00 43.15 H new ATOM 1431 N ASN A 103 -1.265 -4.832 10.949 1.00 52.14 N ATOM 1432 CA ASN A 103 -0.651 -6.119 11.265 1.00 13.51 C ATOM 1433 C ASN A 103 0.584 -6.360 10.394 1.00 2.14 C ATOM 1434 O ASN A 103 1.604 -6.834 10.898 1.00 71.45 O ATOM 1435 CB ASN A 103 -1.667 -7.253 11.079 1.00 34.44 C ATOM 1436 CG ASN A 103 -1.282 -8.503 11.866 1.00 22.11 C ATOM 1437 OD1 ASN A 103 -1.262 -9.603 11.325 1.00 11.34 O ATOM 1438 ND2 ASN A 103 -1.040 -8.391 13.161 1.00 42.33 N ATOM 0 H ASN A 103 -2.193 -4.904 10.533 1.00 52.14 H new ATOM 0 HA ASN A 103 -0.334 -6.101 12.308 1.00 13.51 H new ATOM 0 HB2 ASN A 103 -2.652 -6.913 11.399 1.00 34.44 H new ATOM 0 HB3 ASN A 103 -1.743 -7.501 10.020 1.00 34.44 H new ATOM 0 HD21 ASN A 103 -0.835 -9.222 13.715 1.00 42.33 H new ATOM 0 HD22 ASN A 103 -1.058 -7.473 13.606 1.00 42.33 H new ATOM 1445 N ALA A 104 0.513 -5.985 9.111 1.00 14.45 N ATOM 1446 CA ALA A 104 1.601 -6.131 8.155 1.00 54.51 C ATOM 1447 C ALA A 104 2.803 -5.294 8.604 1.00 33.20 C ATOM 1448 O ALA A 104 3.927 -5.783 8.533 1.00 70.41 O ATOM 1449 CB ALA A 104 1.121 -5.770 6.732 1.00 61.00 C ATOM 0 H ALA A 104 -0.323 -5.563 8.707 1.00 14.45 H new ATOM 0 HA ALA A 104 1.924 -7.171 8.121 1.00 54.51 H new ATOM 0 HB1 ALA A 104 1.947 -5.884 6.030 1.00 61.00 H new ATOM 0 HB2 ALA A 104 0.305 -6.433 6.444 1.00 61.00 H new ATOM 0 HB3 ALA A 104 0.772 -4.737 6.717 1.00 61.00 H new ATOM 1455 N PHE A 105 2.607 -4.065 9.109 1.00 44.24 N ATOM 1456 CA PHE A 105 3.706 -3.224 9.560 1.00 23.23 C ATOM 1457 C PHE A 105 4.460 -3.896 10.710 1.00 60.01 C ATOM 1458 O PHE A 105 5.676 -3.696 10.846 1.00 64.32 O ATOM 1459 CB PHE A 105 3.209 -1.821 9.956 1.00 2.13 C ATOM 1460 CG PHE A 105 3.089 -0.859 8.789 1.00 55.04 C ATOM 1461 CD1 PHE A 105 4.242 -0.254 8.256 1.00 1.22 C ATOM 1462 CD2 PHE A 105 1.837 -0.573 8.219 1.00 55.41 C ATOM 1463 CE1 PHE A 105 4.144 0.576 7.124 1.00 21.21 C ATOM 1464 CE2 PHE A 105 1.743 0.230 7.070 1.00 55.02 C ATOM 1465 CZ PHE A 105 2.899 0.792 6.512 1.00 33.45 C ATOM 0 H PHE A 105 1.687 -3.637 9.212 1.00 44.24 H new ATOM 0 HA PHE A 105 4.401 -3.098 8.730 1.00 23.23 H new ATOM 0 HB2 PHE A 105 2.236 -1.914 10.439 1.00 2.13 H new ATOM 0 HB3 PHE A 105 3.892 -1.399 10.693 1.00 2.13 H new ATOM 0 HD1 PHE A 105 5.204 -0.427 8.716 1.00 1.22 H new ATOM 0 HD2 PHE A 105 0.940 -0.974 8.668 1.00 55.41 H new ATOM 0 HE1 PHE A 105 5.029 1.048 6.725 1.00 21.21 H new ATOM 0 HE2 PHE A 105 0.780 0.414 6.617 1.00 55.02 H new ATOM 0 HZ PHE A 105 2.833 1.389 5.615 1.00 33.45 H new ATOM 1475 N LEU A 106 3.784 -4.659 11.584 1.00 61.14 N ATOM 1476 CA LEU A 106 4.463 -5.330 12.696 1.00 24.43 C ATOM 1477 C LEU A 106 5.470 -6.347 12.169 1.00 15.45 C ATOM 1478 O LEU A 106 6.496 -6.546 12.818 1.00 63.11 O ATOM 1479 CB LEU A 106 3.482 -5.968 13.695 1.00 74.21 C ATOM 1480 CG LEU A 106 2.975 -5.054 14.831 1.00 62.32 C ATOM 1481 CD1 LEU A 106 4.093 -4.362 15.633 1.00 21.03 C ATOM 1482 CD2 LEU A 106 1.966 -4.013 14.359 1.00 3.04 C ATOM 0 H LEU A 106 2.778 -4.824 11.541 1.00 61.14 H new ATOM 0 HA LEU A 106 5.003 -4.565 13.254 1.00 24.43 H new ATOM 0 HB2 LEU A 106 2.619 -6.336 13.140 1.00 74.21 H new ATOM 0 HB3 LEU A 106 3.966 -6.836 14.144 1.00 74.21 H new ATOM 0 HG LEU A 106 2.471 -5.747 15.505 1.00 62.32 H new ATOM 0 HD11 LEU A 106 3.651 -3.739 16.411 1.00 21.03 H new ATOM 0 HD12 LEU A 106 4.732 -5.116 16.092 1.00 21.03 H new ATOM 0 HD13 LEU A 106 4.688 -3.740 14.965 1.00 21.03 H new ATOM 0 HD21 LEU A 106 1.649 -3.403 15.205 1.00 3.04 H new ATOM 0 HD22 LEU A 106 2.427 -3.375 13.605 1.00 3.04 H new ATOM 0 HD23 LEU A 106 1.099 -4.515 13.929 1.00 3.04 H new ATOM 1494 N GLN A 107 5.212 -6.934 11.000 1.00 63.32 N ATOM 1495 CA GLN A 107 6.082 -7.912 10.369 1.00 61.33 C ATOM 1496 C GLN A 107 7.104 -7.289 9.416 1.00 14.42 C ATOM 1497 O GLN A 107 7.915 -8.035 8.870 1.00 33.40 O ATOM 1498 CB GLN A 107 5.235 -8.972 9.647 1.00 22.11 C ATOM 1499 CG GLN A 107 4.649 -9.978 10.649 1.00 35.12 C ATOM 1500 CD GLN A 107 4.543 -11.392 10.084 1.00 24.45 C ATOM 1501 OE1 GLN A 107 3.451 -11.943 9.967 1.00 4.21 O ATOM 1502 NE2 GLN A 107 5.660 -12.019 9.750 1.00 24.11 N ATOM 0 H GLN A 107 4.372 -6.734 10.458 1.00 63.32 H new ATOM 0 HA GLN A 107 6.663 -8.383 11.162 1.00 61.33 H new ATOM 0 HB2 GLN A 107 4.428 -8.487 9.098 1.00 22.11 H new ATOM 0 HB3 GLN A 107 5.848 -9.497 8.915 1.00 22.11 H new ATOM 0 HG2 GLN A 107 5.272 -9.996 11.543 1.00 35.12 H new ATOM 0 HG3 GLN A 107 3.659 -9.641 10.957 1.00 35.12 H new ATOM 0 HE21 GLN A 107 6.559 -11.549 9.853 1.00 24.11 H new ATOM 0 HE22 GLN A 107 5.621 -12.973 9.390 1.00 24.11 H new ATOM 1511 N THR A 108 7.119 -5.973 9.191 1.00 20.24 N ATOM 1512 CA THR A 108 8.105 -5.391 8.281 1.00 43.20 C ATOM 1513 C THR A 108 9.259 -4.790 9.073 1.00 2.04 C ATOM 1514 O THR A 108 10.395 -5.245 8.952 1.00 61.11 O ATOM 1515 CB THR A 108 7.445 -4.415 7.300 1.00 71.23 C ATOM 1516 OG1 THR A 108 6.736 -3.353 7.911 1.00 21.32 O ATOM 1517 CG2 THR A 108 6.502 -5.185 6.388 1.00 64.34 C ATOM 0 H THR A 108 6.476 -5.305 9.615 1.00 20.24 H new ATOM 0 HA THR A 108 8.535 -6.176 7.659 1.00 43.20 H new ATOM 0 HB THR A 108 8.260 -3.952 6.743 1.00 71.23 H new ATOM 0 HG1 THR A 108 6.501 -3.602 8.829 1.00 21.32 H new ATOM 0 HG21 THR A 108 6.030 -4.496 5.688 1.00 64.34 H new ATOM 0 HG22 THR A 108 7.065 -5.936 5.834 1.00 64.34 H new ATOM 0 HG23 THR A 108 5.735 -5.675 6.988 1.00 64.34 H new ATOM 1525 N THR A 109 8.968 -3.808 9.926 1.00 44.42 N ATOM 1526 CA THR A 109 9.955 -3.116 10.755 1.00 30.40 C ATOM 1527 C THR A 109 9.599 -3.128 12.248 1.00 24.42 C ATOM 1528 O THR A 109 10.425 -2.748 13.085 1.00 4.33 O ATOM 1529 CB THR A 109 10.156 -1.712 10.155 1.00 73.40 C ATOM 1530 OG1 THR A 109 11.153 -0.965 10.805 1.00 2.21 O ATOM 1531 CG2 THR A 109 8.863 -0.894 10.093 1.00 72.33 C ATOM 0 H THR A 109 8.018 -3.464 10.063 1.00 44.42 H new ATOM 0 HA THR A 109 10.908 -3.645 10.735 1.00 30.40 H new ATOM 0 HB THR A 109 10.489 -1.906 9.135 1.00 73.40 H new ATOM 0 HG1 THR A 109 11.236 -1.268 11.733 1.00 2.21 H new ATOM 0 HG21 THR A 109 9.072 0.085 9.661 1.00 72.33 H new ATOM 0 HG22 THR A 109 8.132 -1.415 9.475 1.00 72.33 H new ATOM 0 HG23 THR A 109 8.463 -0.768 11.099 1.00 72.33 H new ATOM 1539 N GLY A 110 8.384 -3.553 12.614 1.00 44.23 N ATOM 1540 CA GLY A 110 7.982 -3.559 14.012 1.00 51.45 C ATOM 1541 C GLY A 110 7.650 -2.142 14.494 1.00 52.04 C ATOM 1542 O GLY A 110 7.705 -1.887 15.694 1.00 0.12 O ATOM 0 H GLY A 110 7.674 -3.892 11.965 1.00 44.23 H new ATOM 0 HA2 GLY A 110 7.113 -4.204 14.141 1.00 51.45 H new ATOM 0 HA3 GLY A 110 8.783 -3.976 14.623 1.00 51.45 H new ATOM 1546 N VAL A 111 7.359 -1.207 13.581 1.00 11.50 N ATOM 1547 CA VAL A 111 6.996 0.180 13.856 1.00 34.13 C ATOM 1548 C VAL A 111 5.633 0.382 13.198 1.00 11.34 C ATOM 1549 O VAL A 111 5.501 0.185 11.989 1.00 70.31 O ATOM 1550 CB VAL A 111 8.061 1.160 13.311 1.00 23.14 C ATOM 1551 CG1 VAL A 111 7.803 2.594 13.789 1.00 15.51 C ATOM 1552 CG2 VAL A 111 9.484 0.726 13.688 1.00 42.41 C ATOM 0 H VAL A 111 7.372 -1.412 12.582 1.00 11.50 H new ATOM 0 HA VAL A 111 6.947 0.383 14.926 1.00 34.13 H new ATOM 0 HB VAL A 111 7.977 1.138 12.224 1.00 23.14 H new ATOM 0 HG11 VAL A 111 8.571 3.255 13.387 1.00 15.51 H new ATOM 0 HG12 VAL A 111 6.823 2.922 13.442 1.00 15.51 H new ATOM 0 HG13 VAL A 111 7.832 2.625 14.878 1.00 15.51 H new ATOM 0 HG21 VAL A 111 10.201 1.441 13.286 1.00 42.41 H new ATOM 0 HG22 VAL A 111 9.578 0.689 14.773 1.00 42.41 H new ATOM 0 HG23 VAL A 111 9.685 -0.262 13.273 1.00 42.41 H new ATOM 1562 N VAL A 112 4.590 0.645 13.983 1.00 75.42 N ATOM 1563 CA VAL A 112 3.221 0.828 13.503 1.00 34.13 C ATOM 1564 C VAL A 112 2.870 2.301 13.721 1.00 31.33 C ATOM 1565 O VAL A 112 2.712 2.755 14.859 1.00 32.33 O ATOM 1566 CB VAL A 112 2.295 -0.205 14.195 1.00 74.11 C ATOM 1567 CG1 VAL A 112 2.188 -0.093 15.723 1.00 4.50 C ATOM 1568 CG2 VAL A 112 0.898 -0.227 13.563 1.00 43.20 C ATOM 0 H VAL A 112 4.675 0.739 14.995 1.00 75.42 H new ATOM 0 HA VAL A 112 3.094 0.629 12.439 1.00 34.13 H new ATOM 0 HB VAL A 112 2.798 -1.155 14.016 1.00 74.11 H new ATOM 0 HG11 VAL A 112 1.515 -0.864 16.098 1.00 4.50 H new ATOM 0 HG12 VAL A 112 3.175 -0.225 16.167 1.00 4.50 H new ATOM 0 HG13 VAL A 112 1.798 0.890 15.989 1.00 4.50 H new ATOM 0 HG21 VAL A 112 0.279 -0.963 14.075 1.00 43.20 H new ATOM 0 HG22 VAL A 112 0.441 0.758 13.655 1.00 43.20 H new ATOM 0 HG23 VAL A 112 0.980 -0.492 12.509 1.00 43.20 H new ATOM 1578 N ASN A 113 2.768 3.064 12.631 1.00 15.25 N ATOM 1579 CA ASN A 113 2.453 4.490 12.666 1.00 31.01 C ATOM 1580 C ASN A 113 1.000 4.697 12.258 1.00 33.22 C ATOM 1581 O ASN A 113 0.644 4.437 11.111 1.00 44.23 O ATOM 1582 CB ASN A 113 3.390 5.284 11.738 1.00 14.22 C ATOM 1583 CG ASN A 113 4.672 5.733 12.416 1.00 44.21 C ATOM 1584 OD1 ASN A 113 4.625 6.497 13.373 1.00 15.14 O ATOM 1585 ND2 ASN A 113 5.832 5.305 11.956 1.00 4.00 N ATOM 0 H ASN A 113 2.904 2.702 11.687 1.00 15.25 H new ATOM 0 HA ASN A 113 2.600 4.858 13.681 1.00 31.01 H new ATOM 0 HB2 ASN A 113 3.641 4.668 10.874 1.00 14.22 H new ATOM 0 HB3 ASN A 113 2.861 6.160 11.362 1.00 14.22 H new ATOM 0 HD21 ASN A 113 6.700 5.610 12.397 1.00 4.00 H new ATOM 0 HD22 ASN A 113 5.861 4.669 11.159 1.00 4.00 H new ATOM 1592 N GLN A 114 0.165 5.164 13.187 1.00 14.41 N ATOM 1593 CA GLN A 114 -1.257 5.431 12.975 1.00 62.21 C ATOM 1594 C GLN A 114 -1.510 6.310 11.734 1.00 20.22 C ATOM 1595 O GLN A 114 -2.199 5.830 10.835 1.00 43.31 O ATOM 1596 CB GLN A 114 -1.877 5.949 14.293 1.00 60.21 C ATOM 1597 CG GLN A 114 -3.186 6.754 14.190 1.00 55.33 C ATOM 1598 CD GLN A 114 -4.341 6.108 13.433 1.00 3.42 C ATOM 1599 OE1 GLN A 114 -5.122 6.812 12.800 1.00 22.30 O ATOM 1600 NE2 GLN A 114 -4.514 4.804 13.511 1.00 23.03 N ATOM 0 H GLN A 114 0.470 5.373 14.138 1.00 14.41 H new ATOM 0 HA GLN A 114 -1.778 4.506 12.729 1.00 62.21 H new ATOM 0 HB2 GLN A 114 -2.059 5.091 14.940 1.00 60.21 H new ATOM 0 HB3 GLN A 114 -1.136 6.573 14.792 1.00 60.21 H new ATOM 0 HG2 GLN A 114 -3.527 6.976 15.201 1.00 55.33 H new ATOM 0 HG3 GLN A 114 -2.960 7.708 13.713 1.00 55.33 H new ATOM 0 HE21 GLN A 114 -3.856 4.233 14.041 1.00 23.03 H new ATOM 0 HE22 GLN A 114 -5.306 4.366 13.041 1.00 23.03 H new ATOM 1609 N PRO A 115 -0.978 7.542 11.623 1.00 3.51 N ATOM 1610 CA PRO A 115 -1.223 8.382 10.455 1.00 43.43 C ATOM 1611 C PRO A 115 -0.609 7.822 9.170 1.00 43.22 C ATOM 1612 O PRO A 115 -1.162 8.065 8.103 1.00 14.02 O ATOM 1613 CB PRO A 115 -0.692 9.773 10.795 1.00 42.44 C ATOM 1614 CG PRO A 115 0.298 9.532 11.928 1.00 11.33 C ATOM 1615 CD PRO A 115 -0.153 8.239 12.595 1.00 53.15 C ATOM 0 HA PRO A 115 -2.291 8.418 10.241 1.00 43.43 H new ATOM 0 HB2 PRO A 115 -0.207 10.235 9.935 1.00 42.44 H new ATOM 0 HB3 PRO A 115 -1.496 10.441 11.105 1.00 42.44 H new ATOM 0 HG2 PRO A 115 1.316 9.443 11.548 1.00 11.33 H new ATOM 0 HG3 PRO A 115 0.294 10.361 12.636 1.00 11.33 H new ATOM 0 HD2 PRO A 115 0.705 7.631 12.883 1.00 53.15 H new ATOM 0 HD3 PRO A 115 -0.716 8.447 13.505 1.00 53.15 H new ATOM 1623 N PHE A 116 0.485 7.057 9.254 1.00 63.22 N ATOM 1624 CA PHE A 116 1.135 6.458 8.086 1.00 64.32 C ATOM 1625 C PHE A 116 0.174 5.456 7.440 1.00 61.43 C ATOM 1626 O PHE A 116 0.161 5.279 6.228 1.00 61.45 O ATOM 1627 CB PHE A 116 2.434 5.784 8.538 1.00 51.33 C ATOM 1628 CG PHE A 116 3.465 5.464 7.477 1.00 51.00 C ATOM 1629 CD1 PHE A 116 3.375 4.278 6.724 1.00 14.21 C ATOM 1630 CD2 PHE A 116 4.585 6.303 7.326 1.00 2.53 C ATOM 1631 CE1 PHE A 116 4.396 3.943 5.815 1.00 3.41 C ATOM 1632 CE2 PHE A 116 5.617 5.947 6.443 1.00 43.12 C ATOM 1633 CZ PHE A 116 5.521 4.774 5.679 1.00 61.34 C ATOM 0 H PHE A 116 0.945 6.836 10.137 1.00 63.22 H new ATOM 0 HA PHE A 116 1.382 7.217 7.344 1.00 64.32 H new ATOM 0 HB2 PHE A 116 2.905 6.428 9.281 1.00 51.33 H new ATOM 0 HB3 PHE A 116 2.172 4.854 9.043 1.00 51.33 H new ATOM 0 HD1 PHE A 116 2.523 3.625 6.844 1.00 14.21 H new ATOM 0 HD2 PHE A 116 4.651 7.222 7.890 1.00 2.53 H new ATOM 0 HE1 PHE A 116 4.315 3.045 5.221 1.00 3.41 H new ATOM 0 HE2 PHE A 116 6.488 6.579 6.351 1.00 43.12 H new ATOM 0 HZ PHE A 116 6.309 4.511 4.989 1.00 61.34 H new ATOM 1643 N ILE A 117 -0.572 4.712 8.256 1.00 72.13 N ATOM 1644 CA ILE A 117 -1.558 3.758 7.774 1.00 33.42 C ATOM 1645 C ILE A 117 -2.792 4.545 7.312 1.00 62.04 C ATOM 1646 O ILE A 117 -3.336 4.266 6.245 1.00 54.34 O ATOM 1647 CB ILE A 117 -1.858 2.718 8.872 1.00 62.54 C ATOM 1648 CG1 ILE A 117 -0.597 1.864 9.129 1.00 31.53 C ATOM 1649 CG2 ILE A 117 -3.024 1.793 8.470 1.00 25.43 C ATOM 1650 CD1 ILE A 117 -0.591 1.205 10.505 1.00 60.02 C ATOM 0 H ILE A 117 -0.506 4.758 9.273 1.00 72.13 H new ATOM 0 HA ILE A 117 -1.189 3.190 6.920 1.00 33.42 H new ATOM 0 HB ILE A 117 -2.144 3.255 9.777 1.00 62.54 H new ATOM 0 HG12 ILE A 117 -0.526 1.092 8.363 1.00 31.53 H new ATOM 0 HG13 ILE A 117 0.287 2.494 9.030 1.00 31.53 H new ATOM 0 HG21 ILE A 117 -3.208 1.072 9.267 1.00 25.43 H new ATOM 0 HG22 ILE A 117 -3.921 2.389 8.305 1.00 25.43 H new ATOM 0 HG23 ILE A 117 -2.768 1.262 7.553 1.00 25.43 H new ATOM 0 HD11 ILE A 117 0.321 0.619 10.624 1.00 60.02 H new ATOM 0 HD12 ILE A 117 -0.632 1.974 11.277 1.00 60.02 H new ATOM 0 HD13 ILE A 117 -1.458 0.550 10.599 1.00 60.02 H new ATOM 1662 N ASN A 118 -3.212 5.548 8.096 1.00 65.10 N ATOM 1663 CA ASN A 118 -4.386 6.353 7.785 1.00 61.12 C ATOM 1664 C ASN A 118 -4.277 7.118 6.477 1.00 53.24 C ATOM 1665 O ASN A 118 -5.265 7.174 5.760 1.00 64.53 O ATOM 1666 CB ASN A 118 -4.740 7.315 8.924 1.00 74.32 C ATOM 1667 CG ASN A 118 -6.142 7.884 8.732 1.00 54.34 C ATOM 1668 OD1 ASN A 118 -6.331 9.077 8.512 1.00 2.31 O ATOM 1669 ND2 ASN A 118 -7.160 7.049 8.849 1.00 41.34 N ATOM 0 H ASN A 118 -2.743 5.818 8.961 1.00 65.10 H new ATOM 0 HA ASN A 118 -5.193 5.630 7.665 1.00 61.12 H new ATOM 0 HB2 ASN A 118 -4.681 6.793 9.879 1.00 74.32 H new ATOM 0 HB3 ASN A 118 -4.014 8.127 8.960 1.00 74.32 H new ATOM 0 HD21 ASN A 118 -8.116 7.394 8.756 1.00 41.34 H new ATOM 0 HD22 ASN A 118 -6.990 6.060 9.032 1.00 41.34 H new ATOM 1676 N GLU A 119 -3.121 7.696 6.137 1.00 52.53 N ATOM 1677 CA GLU A 119 -2.950 8.441 4.888 1.00 62.14 C ATOM 1678 C GLU A 119 -3.141 7.492 3.698 1.00 32.32 C ATOM 1679 O GLU A 119 -3.775 7.848 2.706 1.00 35.23 O ATOM 1680 CB GLU A 119 -1.583 9.163 4.855 1.00 42.23 C ATOM 1681 CG GLU A 119 -0.397 8.213 4.631 1.00 33.45 C ATOM 1682 CD GLU A 119 0.986 8.873 4.740 1.00 74.53 C ATOM 1683 OE1 GLU A 119 1.468 9.165 5.857 1.00 34.34 O ATOM 1684 OE2 GLU A 119 1.638 9.069 3.681 1.00 31.22 O ATOM 0 H GLU A 119 -2.282 7.661 6.717 1.00 52.53 H new ATOM 0 HA GLU A 119 -3.709 9.221 4.822 1.00 62.14 H new ATOM 0 HB2 GLU A 119 -1.595 9.911 4.062 1.00 42.23 H new ATOM 0 HB3 GLU A 119 -1.439 9.696 5.795 1.00 42.23 H new ATOM 0 HG2 GLU A 119 -0.456 7.403 5.358 1.00 33.45 H new ATOM 0 HG3 GLU A 119 -0.492 7.762 3.643 1.00 33.45 H new ATOM 1691 N ILE A 120 -2.624 6.263 3.821 1.00 13.41 N ATOM 1692 CA ILE A 120 -2.711 5.235 2.802 1.00 35.30 C ATOM 1693 C ILE A 120 -4.194 4.911 2.595 1.00 31.23 C ATOM 1694 O ILE A 120 -4.604 4.738 1.446 1.00 33.21 O ATOM 1695 CB ILE A 120 -1.794 4.046 3.193 1.00 51.21 C ATOM 1696 CG1 ILE A 120 -0.293 4.423 3.109 1.00 74.45 C ATOM 1697 CG2 ILE A 120 -2.051 2.765 2.391 1.00 55.35 C ATOM 1698 CD1 ILE A 120 0.276 4.641 1.697 1.00 14.23 C ATOM 0 H ILE A 120 -2.123 5.959 4.656 1.00 13.41 H new ATOM 0 HA ILE A 120 -2.335 5.554 1.830 1.00 35.30 H new ATOM 0 HB ILE A 120 -2.056 3.829 4.229 1.00 51.21 H new ATOM 0 HG12 ILE A 120 -0.136 5.335 3.686 1.00 74.45 H new ATOM 0 HG13 ILE A 120 0.285 3.636 3.593 1.00 74.45 H new ATOM 0 HG21 ILE A 120 -1.369 1.983 2.726 1.00 55.35 H new ATOM 0 HG22 ILE A 120 -3.080 2.440 2.545 1.00 55.35 H new ATOM 0 HG23 ILE A 120 -1.887 2.960 1.331 1.00 55.35 H new ATOM 0 HD11 ILE A 120 1.333 4.899 1.766 1.00 14.23 H new ATOM 0 HD12 ILE A 120 0.164 3.727 1.114 1.00 14.23 H new ATOM 0 HD13 ILE A 120 -0.264 5.452 1.208 1.00 14.23 H new ATOM 1710 N THR A 121 -4.997 4.766 3.657 1.00 54.21 N ATOM 1711 CA THR A 121 -6.431 4.499 3.480 1.00 3.43 C ATOM 1712 C THR A 121 -7.168 5.748 2.987 1.00 10.34 C ATOM 1713 O THR A 121 -8.073 5.634 2.160 1.00 20.42 O ATOM 1714 CB THR A 121 -7.084 3.843 4.703 1.00 31.14 C ATOM 1715 OG1 THR A 121 -6.734 4.451 5.928 1.00 52.21 O ATOM 1716 CG2 THR A 121 -6.665 2.374 4.747 1.00 35.42 C ATOM 0 H THR A 121 -4.688 4.827 4.627 1.00 54.21 H new ATOM 0 HA THR A 121 -6.522 3.749 2.695 1.00 3.43 H new ATOM 0 HB THR A 121 -8.162 3.960 4.590 1.00 31.14 H new ATOM 0 HG1 THR A 121 -6.291 5.307 5.753 1.00 52.21 H new ATOM 0 HG21 THR A 121 -7.121 1.891 5.612 1.00 35.42 H new ATOM 0 HG22 THR A 121 -6.995 1.874 3.836 1.00 35.42 H new ATOM 0 HG23 THR A 121 -5.580 2.307 4.825 1.00 35.42 H new ATOM 1724 N GLN A 122 -6.762 6.942 3.435 1.00 0.11 N ATOM 1725 CA GLN A 122 -7.357 8.209 3.032 1.00 50.40 C ATOM 1726 C GLN A 122 -7.280 8.312 1.521 1.00 50.41 C ATOM 1727 O GLN A 122 -8.271 8.701 0.912 1.00 42.43 O ATOM 1728 CB GLN A 122 -6.633 9.404 3.670 1.00 30.15 C ATOM 1729 CG GLN A 122 -7.589 10.488 4.167 1.00 61.13 C ATOM 1730 CD GLN A 122 -7.963 11.549 3.131 1.00 15.35 C ATOM 1731 OE1 GLN A 122 -7.132 12.382 2.768 1.00 31.23 O ATOM 1732 NE2 GLN A 122 -9.214 11.603 2.691 1.00 22.43 N ATOM 0 H GLN A 122 -5.996 7.050 4.100 1.00 0.11 H new ATOM 0 HA GLN A 122 -8.393 8.236 3.371 1.00 50.40 H new ATOM 0 HB2 GLN A 122 -6.028 9.051 4.505 1.00 30.15 H new ATOM 0 HB3 GLN A 122 -5.948 9.838 2.941 1.00 30.15 H new ATOM 0 HG2 GLN A 122 -8.503 10.010 4.521 1.00 61.13 H new ATOM 0 HG3 GLN A 122 -7.136 10.984 5.025 1.00 61.13 H new ATOM 0 HE21 GLN A 122 -9.893 10.907 2.999 1.00 22.43 H new ATOM 0 HE22 GLN A 122 -9.496 12.340 2.045 1.00 22.43 H new ATOM 1741 N LEU A 123 -6.137 7.933 0.929 1.00 10.51 N ATOM 1742 CA LEU A 123 -5.952 7.960 -0.513 1.00 14.12 C ATOM 1743 C LEU A 123 -7.068 7.142 -1.160 1.00 71.11 C ATOM 1744 O LEU A 123 -7.731 7.663 -2.044 1.00 23.32 O ATOM 1745 CB LEU A 123 -4.573 7.414 -0.942 1.00 40.41 C ATOM 1746 CG LEU A 123 -3.365 8.364 -0.830 1.00 72.11 C ATOM 1747 CD1 LEU A 123 -2.096 7.691 -1.371 1.00 42.34 C ATOM 1748 CD2 LEU A 123 -3.555 9.627 -1.667 1.00 35.40 C ATOM 0 H LEU A 123 -5.321 7.601 1.444 1.00 10.51 H new ATOM 0 HA LEU A 123 -5.992 8.997 -0.845 1.00 14.12 H new ATOM 0 HB2 LEU A 123 -4.361 6.528 -0.343 1.00 40.41 H new ATOM 0 HB3 LEU A 123 -4.649 7.087 -1.979 1.00 40.41 H new ATOM 0 HG LEU A 123 -3.276 8.612 0.228 1.00 72.11 H new ATOM 0 HD11 LEU A 123 -1.254 8.378 -1.283 1.00 42.34 H new ATOM 0 HD12 LEU A 123 -1.889 6.788 -0.796 1.00 42.34 H new ATOM 0 HD13 LEU A 123 -2.242 7.428 -2.419 1.00 42.34 H new ATOM 0 HD21 LEU A 123 -2.681 10.269 -1.560 1.00 35.40 H new ATOM 0 HD22 LEU A 123 -3.678 9.354 -2.715 1.00 35.40 H new ATOM 0 HD23 LEU A 123 -4.442 10.161 -1.324 1.00 35.40 H new ATOM 1760 N VAL A 124 -7.323 5.913 -0.699 1.00 0.15 N ATOM 1761 CA VAL A 124 -8.360 5.042 -1.253 1.00 3.25 C ATOM 1762 C VAL A 124 -9.750 5.672 -1.137 1.00 24.52 C ATOM 1763 O VAL A 124 -10.543 5.575 -2.077 1.00 54.15 O ATOM 1764 CB VAL A 124 -8.317 3.649 -0.594 1.00 44.40 C ATOM 1765 CG1 VAL A 124 -9.208 2.609 -1.287 1.00 52.52 C ATOM 1766 CG2 VAL A 124 -6.908 3.054 -0.595 1.00 74.31 C ATOM 0 H VAL A 124 -6.810 5.493 0.076 1.00 0.15 H new ATOM 0 HA VAL A 124 -8.153 4.917 -2.316 1.00 3.25 H new ATOM 0 HB VAL A 124 -8.677 3.836 0.418 1.00 44.40 H new ATOM 0 HG11 VAL A 124 -9.125 1.655 -0.767 1.00 52.52 H new ATOM 0 HG12 VAL A 124 -10.245 2.945 -1.265 1.00 52.52 H new ATOM 0 HG13 VAL A 124 -8.888 2.487 -2.322 1.00 52.52 H new ATOM 0 HG21 VAL A 124 -6.927 2.073 -0.121 1.00 74.31 H new ATOM 0 HG22 VAL A 124 -6.556 2.954 -1.622 1.00 74.31 H new ATOM 0 HG23 VAL A 124 -6.235 3.711 -0.043 1.00 74.31 H new ATOM 1776 N SER A 125 -10.084 6.272 0.006 1.00 13.04 N ATOM 1777 CA SER A 125 -11.383 6.907 0.191 1.00 41.34 C ATOM 1778 C SER A 125 -11.505 8.108 -0.752 1.00 63.13 C ATOM 1779 O SER A 125 -12.495 8.226 -1.472 1.00 43.33 O ATOM 1780 CB SER A 125 -11.605 7.255 1.669 1.00 41.55 C ATOM 1781 OG SER A 125 -12.642 6.448 2.214 1.00 60.41 O ATOM 0 H SER A 125 -9.469 6.330 0.818 1.00 13.04 H new ATOM 0 HA SER A 125 -12.184 6.216 -0.074 1.00 41.34 H new ATOM 0 HB2 SER A 125 -10.682 7.101 2.229 1.00 41.55 H new ATOM 0 HB3 SER A 125 -11.865 8.309 1.767 1.00 41.55 H new ATOM 0 HG SER A 125 -12.774 6.678 3.158 1.00 60.41 H new ATOM 1787 N MET A 126 -10.486 8.963 -0.795 1.00 71.54 N ATOM 1788 CA MET A 126 -10.441 10.140 -1.643 1.00 61.41 C ATOM 1789 C MET A 126 -10.478 9.750 -3.127 1.00 0.44 C ATOM 1790 O MET A 126 -11.203 10.377 -3.894 1.00 42.25 O ATOM 1791 CB MET A 126 -9.189 10.933 -1.237 1.00 0.41 C ATOM 1792 CG MET A 126 -8.898 12.185 -2.070 1.00 54.22 C ATOM 1793 SD MET A 126 -8.027 11.964 -3.653 1.00 33.51 S ATOM 1794 CE MET A 126 -6.588 10.972 -3.162 1.00 45.22 C ATOM 0 H MET A 126 -9.649 8.849 -0.224 1.00 71.54 H new ATOM 0 HA MET A 126 -11.317 10.773 -1.506 1.00 61.41 H new ATOM 0 HB2 MET A 126 -9.291 11.229 -0.193 1.00 0.41 H new ATOM 0 HB3 MET A 126 -8.326 10.270 -1.297 1.00 0.41 H new ATOM 0 HG2 MET A 126 -9.848 12.679 -2.276 1.00 54.22 H new ATOM 0 HG3 MET A 126 -8.310 12.867 -1.456 1.00 54.22 H new ATOM 0 HE1 MET A 126 -5.739 11.224 -3.797 1.00 45.22 H new ATOM 0 HE2 MET A 126 -6.338 11.183 -2.122 1.00 45.22 H new ATOM 0 HE3 MET A 126 -6.822 9.913 -3.271 1.00 45.22 H new ATOM 1804 N PHE A 127 -9.759 8.705 -3.548 1.00 31.32 N ATOM 1805 CA PHE A 127 -9.715 8.264 -4.940 1.00 62.21 C ATOM 1806 C PHE A 127 -11.072 7.706 -5.357 1.00 20.54 C ATOM 1807 O PHE A 127 -11.507 7.918 -6.488 1.00 34.44 O ATOM 1808 CB PHE A 127 -8.572 7.262 -5.114 1.00 52.13 C ATOM 1809 CG PHE A 127 -8.180 6.902 -6.540 1.00 5.32 C ATOM 1810 CD1 PHE A 127 -6.950 7.356 -7.057 1.00 32.32 C ATOM 1811 CD2 PHE A 127 -8.986 6.058 -7.328 1.00 71.24 C ATOM 1812 CE1 PHE A 127 -6.520 6.947 -8.331 1.00 1.33 C ATOM 1813 CE2 PHE A 127 -8.537 5.618 -8.585 1.00 73.13 C ATOM 1814 CZ PHE A 127 -7.302 6.059 -9.086 1.00 1.45 C ATOM 0 H PHE A 127 -9.186 8.138 -2.923 1.00 31.32 H new ATOM 0 HA PHE A 127 -9.513 9.106 -5.602 1.00 62.21 H new ATOM 0 HB2 PHE A 127 -7.691 7.662 -4.611 1.00 52.13 H new ATOM 0 HB3 PHE A 127 -8.845 6.343 -4.595 1.00 52.13 H new ATOM 0 HD1 PHE A 127 -6.334 8.022 -6.471 1.00 32.32 H new ATOM 0 HD2 PHE A 127 -9.954 5.747 -6.965 1.00 71.24 H new ATOM 0 HE1 PHE A 127 -5.587 7.316 -8.730 1.00 1.33 H new ATOM 0 HE2 PHE A 127 -9.143 4.939 -9.167 1.00 73.13 H new ATOM 0 HZ PHE A 127 -6.955 5.716 -10.049 1.00 1.45 H new ATOM 1824 N ALA A 128 -11.768 7.020 -4.446 1.00 73.00 N ATOM 1825 CA ALA A 128 -13.086 6.460 -4.710 1.00 14.04 C ATOM 1826 C ALA A 128 -14.151 7.545 -4.827 1.00 55.53 C ATOM 1827 O ALA A 128 -15.279 7.243 -5.230 1.00 14.23 O ATOM 1828 CB ALA A 128 -13.495 5.544 -3.565 1.00 21.15 C ATOM 0 H ALA A 128 -11.427 6.840 -3.502 1.00 73.00 H new ATOM 0 HA ALA A 128 -13.018 5.916 -5.652 1.00 14.04 H new ATOM 0 HB1 ALA A 128 -14.482 5.127 -3.767 1.00 21.15 H new ATOM 0 HB2 ALA A 128 -12.772 4.734 -3.471 1.00 21.15 H new ATOM 0 HB3 ALA A 128 -13.525 6.114 -2.636 1.00 21.15 H new ATOM 1834 N GLN A 129 -13.834 8.765 -4.402 1.00 10.11 N ATOM 1835 CA GLN A 129 -14.735 9.907 -4.443 1.00 33.35 C ATOM 1836 C GLN A 129 -14.343 10.915 -5.539 1.00 51.51 C ATOM 1837 O GLN A 129 -15.204 11.606 -6.078 1.00 63.50 O ATOM 1838 CB GLN A 129 -14.767 10.581 -3.065 1.00 64.23 C ATOM 1839 CG GLN A 129 -15.423 9.744 -1.953 1.00 23.02 C ATOM 1840 CD GLN A 129 -16.949 9.867 -1.915 1.00 62.41 C ATOM 1841 OE1 GLN A 129 -17.496 10.884 -1.495 1.00 44.51 O ATOM 1842 NE2 GLN A 129 -17.686 8.821 -2.245 1.00 11.30 N ATOM 0 H GLN A 129 -12.920 8.990 -4.010 1.00 10.11 H new ATOM 0 HA GLN A 129 -15.732 9.546 -4.694 1.00 33.35 H new ATOM 0 HB2 GLN A 129 -13.745 10.817 -2.768 1.00 64.23 H new ATOM 0 HB3 GLN A 129 -15.301 11.527 -3.151 1.00 64.23 H new ATOM 0 HG2 GLN A 129 -15.154 8.697 -2.091 1.00 23.02 H new ATOM 0 HG3 GLN A 129 -15.017 10.053 -0.990 1.00 23.02 H new ATOM 0 HE21 GLN A 129 -17.240 7.973 -2.595 1.00 11.30 H new ATOM 0 HE22 GLN A 129 -18.701 8.862 -2.150 1.00 11.30 H new ATOM 1851 N ALA A 130 -13.053 10.985 -5.891 1.00 52.13 N ATOM 1852 CA ALA A 130 -12.412 11.855 -6.881 1.00 23.54 C ATOM 1853 C ALA A 130 -12.437 13.356 -6.533 1.00 70.21 C ATOM 1854 O ALA A 130 -11.878 14.161 -7.283 1.00 51.51 O ATOM 1855 CB ALA A 130 -12.941 11.567 -8.294 1.00 74.44 C ATOM 0 H ALA A 130 -12.368 10.375 -5.446 1.00 52.13 H new ATOM 0 HA ALA A 130 -11.353 11.599 -6.856 1.00 23.54 H new ATOM 0 HB1 ALA A 130 -12.448 12.227 -9.008 1.00 74.44 H new ATOM 0 HB2 ALA A 130 -12.734 10.529 -8.556 1.00 74.44 H new ATOM 0 HB3 ALA A 130 -14.017 11.740 -8.322 1.00 74.44 H new ATOM 1861 N GLY A 131 -13.024 13.759 -5.401 1.00 45.54 N ATOM 1862 CA GLY A 131 -13.120 15.150 -4.966 1.00 42.10 C ATOM 1863 C GLY A 131 -12.470 15.394 -3.608 1.00 71.22 C ATOM 1864 O GLY A 131 -11.774 14.531 -3.062 1.00 11.45 O ATOM 0 H GLY A 131 -13.456 13.106 -4.747 1.00 45.54 H new ATOM 0 HA2 GLY A 131 -12.647 15.791 -5.710 1.00 42.10 H new ATOM 0 HA3 GLY A 131 -14.170 15.439 -4.918 1.00 42.10 H new ATOM 1868 N MET A 132 -12.644 16.612 -3.091 1.00 25.04 N ATOM 1869 CA MET A 132 -12.122 17.026 -1.793 1.00 32.23 C ATOM 1870 C MET A 132 -12.924 16.258 -0.744 1.00 41.35 C ATOM 1871 O MET A 132 -14.104 16.558 -0.548 1.00 51.54 O ATOM 1872 CB MET A 132 -12.276 18.541 -1.593 1.00 51.20 C ATOM 1873 CG MET A 132 -11.239 19.374 -2.356 1.00 14.33 C ATOM 1874 SD MET A 132 -9.488 19.096 -1.941 1.00 44.14 S ATOM 1875 CE MET A 132 -9.516 19.504 -0.177 1.00 55.33 C ATOM 0 H MET A 132 -13.160 17.348 -3.573 1.00 25.04 H new ATOM 0 HA MET A 132 -11.057 16.809 -1.714 1.00 32.23 H new ATOM 0 HB2 MET A 132 -13.275 18.841 -1.911 1.00 51.20 H new ATOM 0 HB3 MET A 132 -12.199 18.767 -0.530 1.00 51.20 H new ATOM 0 HG2 MET A 132 -11.369 19.184 -3.421 1.00 14.33 H new ATOM 0 HG3 MET A 132 -11.463 20.428 -2.191 1.00 14.33 H new ATOM 0 HE1 MET A 132 -8.494 19.595 0.192 1.00 55.33 H new ATOM 0 HE2 MET A 132 -10.040 20.449 -0.030 1.00 55.33 H new ATOM 0 HE3 MET A 132 -10.031 18.715 0.371 1.00 55.33 H new ATOM 1885 N ASN A 133 -12.325 15.248 -0.110 1.00 72.40 N ATOM 1886 CA ASN A 133 -12.983 14.428 0.900 1.00 3.11 C ATOM 1887 C ASN A 133 -12.019 14.130 2.037 1.00 32.34 C ATOM 1888 O ASN A 133 -10.853 13.790 1.831 1.00 32.13 O ATOM 1889 CB ASN A 133 -13.525 13.124 0.293 1.00 11.51 C ATOM 1890 CG ASN A 133 -14.895 13.341 -0.330 1.00 0.45 C ATOM 1891 OD1 ASN A 133 -15.035 13.409 -1.546 1.00 41.31 O ATOM 1892 ND2 ASN A 133 -15.935 13.474 0.481 1.00 71.01 N ATOM 0 H ASN A 133 -11.358 14.976 -0.288 1.00 72.40 H new ATOM 0 HA ASN A 133 -13.832 14.986 1.294 1.00 3.11 H new ATOM 0 HB2 ASN A 133 -12.832 12.755 -0.463 1.00 11.51 H new ATOM 0 HB3 ASN A 133 -13.590 12.358 1.066 1.00 11.51 H new ATOM 0 HD21 ASN A 133 -16.865 13.635 0.095 1.00 71.01 H new ATOM 0 HD22 ASN A 133 -15.805 13.415 1.491 1.00 71.01 H new ATOM 1899 N ASP A 134 -12.536 14.294 3.247 1.00 63.31 N ATOM 1900 CA ASP A 134 -11.915 14.099 4.549 1.00 63.42 C ATOM 1901 C ASP A 134 -12.342 12.758 5.150 1.00 45.13 C ATOM 1902 O ASP A 134 -13.222 12.070 4.619 1.00 3.55 O ATOM 1903 CB ASP A 134 -12.451 15.189 5.498 1.00 70.23 C ATOM 1904 CG ASP A 134 -13.949 14.974 5.750 1.00 63.13 C ATOM 1905 OD1 ASP A 134 -14.289 14.340 6.772 1.00 5.02 O ATOM 1906 OD2 ASP A 134 -14.742 15.307 4.838 1.00 30.21 O ATOM 0 H ASP A 134 -13.504 14.599 3.351 1.00 63.31 H new ATOM 0 HA ASP A 134 -10.832 14.135 4.432 1.00 63.42 H new ATOM 0 HB2 ASP A 134 -11.907 15.160 6.442 1.00 70.23 H new ATOM 0 HB3 ASP A 134 -12.285 16.175 5.064 1.00 70.23 H new ATOM 1911 N VAL A 135 -11.728 12.412 6.279 1.00 4.50 N ATOM 1912 CA VAL A 135 -11.983 11.214 7.073 1.00 71.02 C ATOM 1913 C VAL A 135 -12.189 11.668 8.525 1.00 74.52 C ATOM 1914 O VAL A 135 -11.662 11.064 9.459 1.00 10.24 O ATOM 1915 CB VAL A 135 -10.885 10.142 6.895 1.00 64.23 C ATOM 1916 CG1 VAL A 135 -10.986 9.505 5.505 1.00 13.33 C ATOM 1917 CG2 VAL A 135 -9.461 10.675 7.135 1.00 61.44 C ATOM 0 H VAL A 135 -10.997 12.994 6.687 1.00 4.50 H new ATOM 0 HA VAL A 135 -12.885 10.707 6.729 1.00 71.02 H new ATOM 0 HB VAL A 135 -11.064 9.389 7.662 1.00 64.23 H new ATOM 0 HG11 VAL A 135 -10.207 8.751 5.393 1.00 13.33 H new ATOM 0 HG12 VAL A 135 -11.963 9.036 5.390 1.00 13.33 H new ATOM 0 HG13 VAL A 135 -10.860 10.274 4.742 1.00 13.33 H new ATOM 0 HG21 VAL A 135 -8.742 9.868 6.993 1.00 61.44 H new ATOM 0 HG22 VAL A 135 -9.249 11.478 6.429 1.00 61.44 H new ATOM 0 HG23 VAL A 135 -9.382 11.056 8.153 1.00 61.44 H new ATOM 1927 N SER A 136 -12.912 12.775 8.723 1.00 64.31 N ATOM 1928 CA SER A 136 -13.211 13.342 10.030 1.00 15.24 C ATOM 1929 C SER A 136 -13.906 12.304 10.925 1.00 15.53 C ATOM 1930 O SER A 136 -13.746 12.362 12.150 1.00 72.05 O ATOM 1931 CB SER A 136 -14.042 14.619 9.823 1.00 13.50 C ATOM 1932 OG SER A 136 -14.095 15.429 10.977 1.00 70.33 O ATOM 0 H SER A 136 -13.314 13.311 7.954 1.00 64.31 H new ATOM 0 HA SER A 136 -12.295 13.615 10.554 1.00 15.24 H new ATOM 0 HB2 SER A 136 -13.617 15.194 9.000 1.00 13.50 H new ATOM 0 HB3 SER A 136 -15.055 14.344 9.530 1.00 13.50 H new ATOM 0 HG SER A 136 -14.633 16.227 10.792 1.00 70.33 H new ATOM 1938 N ALA A 137 -14.615 11.336 10.333 1.00 2.51 N ATOM 1939 CA ALA A 137 -15.314 10.272 11.023 1.00 2.43 C ATOM 1940 C ALA A 137 -15.008 8.953 10.328 1.00 52.53 C ATOM 1941 O ALA A 137 -14.079 8.250 10.770 1.00 73.34 O ATOM 1942 CB ALA A 137 -16.799 10.603 11.059 1.00 50.01 C ATOM 0 H ALA A 137 -14.715 11.280 9.319 1.00 2.51 H new ATOM 0 HA ALA A 137 -14.982 10.175 12.057 1.00 2.43 H new ATOM 0 HB1 ALA A 137 -17.336 9.808 11.577 1.00 50.01 H new ATOM 0 HB2 ALA A 137 -16.949 11.545 11.586 1.00 50.01 H new ATOM 0 HB3 ALA A 137 -17.177 10.693 10.040 1.00 50.01 H new TER 1948 ALA A 137